G4VQ61_SCHMA Loading...

Polyadenylate-binding protein

Binds the poly(A) tail of mRNA.

AlphaFold DB , UniProt , Accession G4VQ61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 726 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.9	Very low	37.7	Very low	248 Å²	248	133.5 Å²	133.5	100%	1.222	84%	0.837	S	S	*	*				0	99	0	-69.7	-175.7	-92.9	0	0	108.3
2	A	36	Very low	40	Very low	95 Å²	95	130.2 Å²	130.2	79%	0.785	81%	0.809	S	S	*	*			trans	-152.9	53.5	-171.2	0	0	0	0	0	112.3
3	V	37.7	Very low	43.6	Very low	147 Å²	147	122.2 Å²	122.2	89%	0.891	76%	0.761	S	S	*	*			trans	-145.4	71.3	-176.4	-83.5	0	0	0	0	110.9
4	S	36.2	Very low	47.2	Very low	120 Å²	120	115 Å²	115	84%	0.839	72%	0.718	S	S	*	*	S	Bend	trans	-158.2	-2.6	179.3	49.3	0	0	0	0	116.5
5	A	38	Very low	50.4	Low	101 Å²	101	107.3 Å²	107.3	84%	0.835	67%	0.67	S	S	*	*	S	Bend	trans	-102.3	-9.7	-171.5	0	0	0	0	0	115.9	S7	A5-S7 PolarHBondContact O-N 3.45Å
6	A	36.6	Very low	53.2	Low	95 Å²	95	104 Å²	104	79%	0.785	64%	0.641	S	S	*	*			trans	-86.9	1.5	-168.1	0	0	0	0	0	115.6	Q8	A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 2.85Å; A6-Q8 VanDerWaalsContact O-N 3.16Å
7	S	32.2	Very low	55.8	Low	106 Å²	106	97.9 Å²	97.9	74%	0.741	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	9.1	-159.3	-162.8	0	0	0	0	116.8	A5	A5-S7 PolarHBondContact O-N 3.45Å
8	Q	32.6	Very low	58	Low	196 Å²	196	92.4 Å²	92.4	92%	0.916	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	4.7	-178.5	-69.7	-172.4	-13.7	0	0	114.5	A6 L10	A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 2.85Å; A6-Q8 VanDerWaalsContact O-N 3.16Å; Q8-L10 VanDerWaalsContact C-N 3.3Å; Q8-L10 PolarHBondContact O-N 3.43Å
9	G	36.2	Very low	59.8	Low	71 Å²	71	90.4 Å²	90.4	73%	0.732	56%	0.555	S	S	*	*			trans	-79.6	9.2	-177.2	0	0	0	0	0	116.7	M11	G9-M11 PolarHBondContact O-N 2.85Å
10	L	37	Very low	61.6	Low	133 Å²	133	86 Å²	86	70%	0.696	53%	0.528	S	S	*	.			trans	-78	118.4	-171.1	-93.8	71.7	0	0	0	113.5	Q8	Q8-L10 VanDerWaalsContact C-N 3.3Å; Q8-L10 PolarHBondContact O-N 3.43Å
11	M	54.4	Low	63.1	Low	156 Å²	156	84 Å²	84	77%	0.768	51%	0.513	S	S	*	.			trans	72.8	29.7	146.1	-55.7	-178.3	177.4	0	0	119.1	G9	G9-M11 PolarHBondContact O-N 2.85Å
12	N	65.8	Low	65.7	Low	94 Å²	94	75.7 Å²	75.7	50%	0.503	48%	0.477	S	S	.	.			trans	-86.9	105	156.4	-79.3	-46.8	0	0	0	110.3	W88	N12-W88 HydrophobicContact CB-CE3 4.01Å; N12-W88 HydrophobicContact CB-CZ3 4.18Å; N12-W88 WeakPolarHBondContact O-CZ3 3.43Å
13	S	86.5	Confident	68.5	Low	26 Å²	26	81 Å²	81	18%	0.182	48%	0.477	C	S	.	.			trans	-98.4	2.5	163	72.7	0	0	0	0	113.3	N60 F61	S13-N60 WeakPolarHBondContact O-CA 3.36Å; S13-F61 WeakPolarHBondContact CB-O 3.49Å; S13-F61 PolarHBondContact O-N 2.91Å; S13-F61 PolarHBondContact OG-O 2.84Å
14	S	93.4	Very high	71.2	Confident	22 Å²	22	74.1 Å²	74.1	15%	0.154	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.9	-178.2	-63.5	0	0	0	0	112.7	N60 S89	S14-N60 VanDerWaalsContact CB-OD1 3.28Å; S14-N60 WeakPolarHBondContact CB-OD1 3.48Å; S14-N60 PolarHBondContact OG-OD1 2.84Å; S14-S89 WeakPolarHBondContact O-CB 3.29Å; S14-S89 PolarHBondContact O-N 2.94Å
15	L	95.8	Very high	74.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.6	172.5	-59.5	178	0	0	0	111.5	F33 Y58 V59 F61 A67 A70 L71 I86 M87 W88	L15-F33 HydrophobicContact CD1-CD1 4.37Å; L15-F33 HydrophobicContact CD1-CE1 3.92Å; L15-Y58 VanDerWaalsContact O-CA 3.31Å; L15-Y58 WeakPolarHBondContact O-CA 3.3Å; L15-V59 PolarHBondContact N-O 3.32Å; L15-V59 PolarHBondContact O-N 2.94Å; L15-F61 HydrophobicContact CD1-CD2 4.35Å; L15-F61 HydrophobicContact CD1-CE2 3.91Å; L15-A67 HydrophobicContact CD1-CB 4.36Å; L15-A67 HydrophobicContact CD2-CB 4.25Å; L15-A67 HydrophobicContact CG-CB 4.14Å; L15-A70 HydrophobicContact CD1-CB 3.97Å; L15-L71 HydrophobicContact CD2-CB 4.31Å; L15-L71 HydrophobicContact CD2-CD1 4.13Å; L15-I86 HydrophobicContact CB-CG2 4.32Å; L15-I86 HydrophobicContact CD1-CG2 3.89Å; L15-I86 HydrophobicContact CD2-CG2 4.18Å; L15-I86 HydrophobicContact CG-CG2 4.37Å; L15-M87 WeakPolarHBondContact CA-O 3.46Å; L15-W88 HydrophobicContact CD2-CD2 4.28Å; L15-W88 HydrophobicContact CD2-CE3 3.66Å; L15-W88 HydrophobicContact CD2-CH2 4.47Å; L15-W88 HydrophobicContact CD2-CZ3 3.77Å
16	Y	95.5	Very high	76.9	Confident	54 Å²	54	67.9 Å²	67.9	21%	0.212	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.1	161.3	169.2	-88.3	0	0	0	108.6	Y56 Y58 I86 M87	Y16-Y56 HydrophobicContact CD2-CD2 4.13Å; Y16-Y56 AromaticContact CE2-CD2 3.45Å; Y16-Y56 HydrophobicContact CE2-CD2 3.45Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.45Å; Y16-Y56 HydrophobicContact CE2-CE2 4.23Å; Y16-Y56 AromaticContact CE2-CG 3.74Å; Y16-Y56 HydrophobicContact CE2-CG 3.74Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.35Å; Y16-Y58 HydrophobicContact CD2-CD1 4.43Å; Y16-Y58 AromaticContact CD2-CE1 3.79Å; Y16-Y58 HydrophobicContact CD2-CE1 3.79Å; Y16-Y58 HydrophobicContact CG-CE1 4.48Å; Y16-I86 WeakPolarHBondContact O-CA 3.37Å; Y16-M87 HydrophobicContact CD1-CB 4.18Å; Y16-M87 HydrophobicContact CD1-CG 4.21Å; Y16-M87 HydrophobicContact CD1-SD 3.82Å; Y16-M87 HydrophobicContact CE1-SD 4.03Å; Y16-M87 PolarHBondContact N-O 3.14Å; Y16-M87 PolarHBondContact O-N 2.97Å
17	V	96.9	Very high	79.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	102.5	178.4	-167.9	0	0	0	0	108.5	L20 L29 F33 Y56 G57 V59 I84 I86	V17-L20 HydrophobicContact CG1-CD2 3.73Å; V17-L20 HydrophobicContact CG1-CG 4.44Å; V17-L29 HydrophobicContact CB-CD1 4.36Å; V17-L29 HydrophobicContact CG1-CD1 4.12Å; V17-L29 HydrophobicContact CG2-CD1 4.45Å; V17-F33 HydrophobicContact CB-CZ 4.38Å; V17-F33 HydrophobicContact CG1-CE2 4.19Å; V17-F33 HydrophobicContact CG1-CZ 3.98Å; V17-F33 HydrophobicContact CG2-CE1 4.01Å; V17-F33 HydrophobicContact CG2-CE2 4.04Å; V17-F33 HydrophobicContact CG2-CZ 3.44Å; V17-F33 VanDerWaalsContact CG2-CZ 3.44Å; V17-Y56 CarbonylContact O-C 3.51Å; V17-Y56 WeakPolarHBondContact O-CA 3.21Å; V17-Y56 WeakPolarHBondContact O-CB 3.39Å; V17-G57 PolarHBondContact N-O 3.04Å; V17-G57 PolarHBondContact O-N 3.44Å; V17-V59 HydrophobicContact CG2-CB 4.46Å; V17-V59 HydrophobicContact CG2-CG2 3.82Å; V17-I84 HydrophobicContact CG1-CB 4.02Å; V17-I84 HydrophobicContact CG1-CD1 4.14Å; V17-I84 HydrophobicContact CG1-CG1 4.41Å; V17-I86 HydrophobicContact CG1-CG1 4.41Å
18	G	95	Very high	82.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	170.9	-179.1	0	0	0	0	0	113.8	L20 G55 R85	G18-L20 PolarHBondContact O-N 3.17Å; G18-G55 CarbonylContact C-O 3.56Å; G18-R85 PolarHBondContact N-O 2.74Å; G18-R85 PolarHBondContact O-N 2.83Å
19	D	93.2	Very high	85.8	Confident	53 Å²	53	53.9 Å²	53.9	28%	0.283	30%	0.301	S	S	.	.	S	Bend	trans	62.9	21.3	174.8	-68.8	-68.6	0	0	0	115.4	G55 R85 K131	D19-G55 WeakPolarHBondContact CA-O 3.5Å; D19-G55 PolarHBondContact N-O 2.86Å; D19-R85 IonicContact OD2-CZ 2.85Å; D19-R85 VanDerWaalsContact OD2-CZ 3.26Å; D19-R85 IonicContact OD2-NE 2.72Å; D19-R85 PolarHBondContact OD2-NE 2.87Å; D19-R85 IonicContact OD2-NH2 3.95Å; D19-R85 PolarHBondContact OD2-NH2 3.09Å; D19-K131 WeakPolarHBondContact OD1-CE 3.49Å; D19-K131 IonicContact OD1-NZ 2.75Å; D19-K131 PolarHBondContact OD1-NZ 3.28Å; D19-K131 IonicContact OD2-NZ 2.66Å; D19-K131 PolarHBondContact OD2-NZ 3.31Å
20	L	95.3	Very high	88.7	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.285	C	S	.	.			trans	-55.8	138.4	175.3	-63.3	-178.6	0	0	0	112.1	V17 G18 V24 L29 V44 G55 L79 I84	V17-L20 HydrophobicContact CG1-CD2 3.73Å; V17-L20 HydrophobicContact CG1-CG 4.44Å; G18-L20 PolarHBondContact O-N 3.17Å; L20-V24 HydrophobicContact CB-CG2 4.47Å; L20-V24 HydrophobicContact CD1-CG1 4.41Å; L20-L29 HydrophobicContact CD1-CD1 4.45Å; L20-L29 HydrophobicContact CD1-CD2 4.39Å; L20-L29 HydrophobicContact CD2-CD1 4.1Å; L20-V44 HydrophobicContact CD1-CG1 4.49Å; L20-V44 HydrophobicContact CD1-CG2 4.19Å; L20-G55 PolarHBondContact N-O 2.99Å; L20-L79 HydrophobicContact CD2-CD2 4.24Å; L20-I84 HydrophobicContact CD2-CB 4.43Å; L20-I84 HydrophobicContact CD2-CG2 3.8Å
21	H	93.9	Very high	91.5	Very high	45 Å²	45	51.2 Å²	51.2	21%	0.208	28%	0.277	C	S	.	.			trans	-61.6	138.4	171.3	-179.9	-109.6	0	0	0	111.1	R23 V24 M80 R82	H21-R23 PolarHBondContact O-N 2.88Å; H21-V24 HydrophobicContact CB-CG2 4.06Å; H21-V24 WeakPolarHBondContact O-CB 3.34Å; H21-V24 VanDerWaalsContact O-CG2 3.26Å; H21-V24 WeakPolarHBondContact O-CG2 3.4Å; H21-V24 PolarHBondContact O-N 3.15Å; H21-M80 HydrophobicContact CB-CB 4.07Å; H21-R82 HydrophobicContact CB-CB 4.35Å; H21-R82 HydrophobicContact CB-CG 4.27Å
22	P	92.5	Very high	93.5	Very high	72 Å²	72	45.4 Å²	45.4	47%	0.468	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.2	-171.5	-29.2	37.1	0	0	0	116.1
23	R	93.7	Very high	95	Very high	208 Å²	208	40.9 Å²	40.9	79%	0.785	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.8	176.5	-65.5	-177.9	61.7	178	-2.1	114.5	H21 S25 M80	H21-R23 PolarHBondContact O-N 2.88Å; R23-S25 PolarHBondContact O-N 3Å; R23-M80 HydrophobicContact CB-SD 4.04Å
24	V	95.5	Very high	95.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.233	C	C	.	.			trans	-61.1	122.6	178.5	173.5	0	0	0	0	109.8	L20 H21 L29 V44 R46 L79 M80	L20-V24 HydrophobicContact CB-CG2 4.47Å; L20-V24 HydrophobicContact CD1-CG1 4.41Å; H21-V24 HydrophobicContact CB-CG2 4.06Å; H21-V24 WeakPolarHBondContact O-CB 3.34Å; H21-V24 VanDerWaalsContact O-CG2 3.26Å; H21-V24 WeakPolarHBondContact O-CG2 3.4Å; H21-V24 PolarHBondContact O-N 3.15Å; V24-L29 HydrophobicContact CG1-CB 4.19Å; V24-V44 HydrophobicContact CG1-CG2 4.03Å; V24-R46 PolarHBondContact O-NH2 3.09Å; V24-L79 HydrophobicContact CG1-CD2 3.97Å; V24-L79 HydrophobicContact CG2-CD2 4.01Å; V24-L79 HydrophobicContact CG2-CG 4.1Å; V24-M80 HydrophobicContact CG2-CE 4.48Å; V24-M80 HydrophobicContact CG2-CG 4.26Å; V24-M80 HydrophobicContact CG2-SD 3.87Å
25	S	95.9	Very high	95.6	Very high	40 Å²	40	47.1 Å²	47.1	28%	0.28	25%	0.253	S	S	.	.			trans	-85.5	157	168.8	61.7	0	0	0	0	110.4	R23 S27 A28 L29	R23-S25 PolarHBondContact O-N 3Å; S25-S27 PolarHBondContact O-N 2.71Å; S25-S27 PolarHBondContact OG-OG 2.73Å; S25-A28 PolarHBondContact O-N 2.94Å; S25-A28 VanDerWaalsContact O-N 3.08Å; S25-A28 VanDerWaalsContact OG-CB 3.3Å; S25-A28 WeakPolarHBondContact OG-CB 3.39Å; S25-A28 PolarHBondContact OG-N 3.38Å; S25-L29 PolarHBondContact O-N 2.7Å
26	D	96.6	Very high	95.6	Very high	50 Å²	50	48.9 Å²	48.9	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-35.7	173.9	-56.5	60.3	0	0	0	110.6	L29 Q30 R43 V44 R46	D26-L29 PolarHBondContact O-N 3.33Å; D26-Q30 PolarHBondContact O-N 3.35Å; D26-R43 WeakPolarHBondContact OD2-CA 3.47Å; D26-V44 PolarHBondContact OD2-N 3.12Å; D26-R46 IonicContact OD1-CZ 2.65Å; D26-R46 IonicContact OD1-NE 4Å; D26-R46 PolarHBondContact OD1-NE 2.71Å; D26-R46 VanDerWaalsContact OD1-NE 3.17Å; D26-R46 IonicContact OD1-NH2 3.26Å; D26-R46 PolarHBondContact OD1-NH2 3.16Å
27	S	96.4	Very high	95.6	Very high	80 Å²	80	47 Å²	47	56%	0.559	26%	0.259	S	S	*	.	H	α-helix	trans	-67.6	-37.5	172.1	54.5	0	0	0	0	114.6	S25 L29 Q30 A31	S25-S27 PolarHBondContact O-N 2.71Å; S25-S27 PolarHBondContact OG-OG 2.73Å; S27-L29 VanDerWaalsContact C-N 3.35Å; S27-Q30 PolarHBondContact O-N 2.57Å; S27-A31 WeakPolarHBondContact O-CB 3.32Å; S27-A31 PolarHBondContact O-N 2.84Å
28	A	96.2	Very high	95.5	Very high	24 Å²	24	49.9 Å²	49.9	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-33	176.6	0	0	0	0	0	111.5	S25 K32 M80	S25-A28 PolarHBondContact O-N 2.94Å; S25-A28 VanDerWaalsContact O-N 3.08Å; S25-A28 VanDerWaalsContact OG-CB 3.3Å; S25-A28 WeakPolarHBondContact OG-CB 3.39Å; S25-A28 PolarHBondContact OG-N 3.38Å; A28-K32 PolarHBondContact O-N 3.34Å; A28-M80 HydrophobicContact CB-CE 3.96Å
29	L	96.5	Very high	95.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-44.3	170.5	-174.2	65.8	0	0	0	111	V17 L20 V24 S25 D26 S27 F33 A42 V44 V59 L79	V17-L29 HydrophobicContact CB-CD1 4.36Å; V17-L29 HydrophobicContact CG1-CD1 4.12Å; V17-L29 HydrophobicContact CG2-CD1 4.45Å; L20-L29 HydrophobicContact CD1-CD1 4.45Å; L20-L29 HydrophobicContact CD1-CD2 4.39Å; L20-L29 HydrophobicContact CD2-CD1 4.1Å; V24-L29 HydrophobicContact CG1-CB 4.19Å; S25-L29 PolarHBondContact O-N 2.7Å; D26-L29 PolarHBondContact O-N 3.33Å; S27-L29 VanDerWaalsContact C-N 3.35Å; L29-F33 HydrophobicContact CD1-CD2 3.97Å; L29-F33 HydrophobicContact CD1-CE2 3.67Å; L29-F33 VanDerWaalsContact O-CD2 3.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.3Å; L29-F33 PolarHBondContact O-N 3.29Å; L29-A42 HydrophobicContact CB-CB 4.46Å; L29-A42 HydrophobicContact CD2-CB 4.28Å; L29-A42 HydrophobicContact CG-CB 4.16Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CG2 4.11Å; L29-V59 HydrophobicContact CD1-CG2 4.21Å; L29-V59 HydrophobicContact CD2-CG2 3.98Å; L29-V59 HydrophobicContact CG-CG2 3.88Å; L29-L79 HydrophobicContact CD1-CD2 4.36Å
30	Q	96.8	Very high	95.6	Very high	85 Å²	85	54.3 Å²	54.3	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-51.9	176.3	-166	171.9	2.5	0	0	111.4	D26 S27 K32 F33 S34 V39 A42	D26-Q30 PolarHBondContact O-N 3.35Å; S27-Q30 PolarHBondContact O-N 2.57Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 2.65Å; Q30-F33 PolarHBondContact O-N 3.11Å; Q30-F33 VanDerWaalsContact O-N 3.12Å; Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 2.83Å; Q30-V39 HydrophobicContact CG-CB 4.4Å; Q30-V39 HydrophobicContact CG-CG1 4.15Å; Q30-A42 HydrophobicContact CB-CB 3.84Å; Q30-A42 HydrophobicContact CG-CB 4.28Å
31	A	96.2	Very high	95.6	Very high	63 Å²	63	56.5 Å²	56.5	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-55.4	-44.9	-178.5	0	0	0	0	0	112.8	S27 F33 S34	S27-A31 WeakPolarHBondContact O-CB 3.32Å; S27-A31 PolarHBondContact O-N 2.84Å; A31-F33 VanDerWaalsContact C-N 3.33Å; A31-F33 PolarHBondContact O-N 2.87Å; A31-S34 PolarHBondContact O-N 2.82Å
32	K	96.2	Very high	95.8	Very high	33 Å²	33	55 Å²	55	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-33	179.8	-175	49.8	172.3	166.2	0	112.9	A28 Q30 E35 L74 L79	A28-K32 PolarHBondContact O-N 3.34Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 2.65Å; K32-E35 VanDerWaalsContact CD-CD 3.49Å; K32-E35 WeakPolarHBondContact CD-OE1 3.31Å; K32-E35 VanDerWaalsContact NZ-CD 3.33Å; K32-E35 IonicContact NZ-OE1 2.65Å; K32-E35 PolarHBondContact NZ-OE1 2.88Å; K32-E35 IonicContact NZ-OE2 3.73Å; K32-E35 PolarHBondContact NZ-OE2 3.21Å; K32-E35 WeakPolarHBondContact O-CB 3.36Å; K32-L74 WeakPolarHBondContact O-CD1 3.47Å; K32-L79 HydrophobicContact CB-CD1 4.12Å; K32-L79 HydrophobicContact CG-CD1 4.25Å
33	F	96.9	Very high	96	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-85.9	-24.5	178.6	-79.2	-105.4	0	0	0	112.8	L15 V17 L29 Q30 A31 E35 I36 V39 V59 F61 A70 L74 I84 I86	L15-F33 HydrophobicContact CD1-CD1 4.37Å; L15-F33 HydrophobicContact CD1-CE1 3.92Å; V17-F33 HydrophobicContact CB-CZ 4.38Å; V17-F33 HydrophobicContact CG1-CE2 4.19Å; V17-F33 HydrophobicContact CG1-CZ 3.98Å; V17-F33 HydrophobicContact CG2-CE1 4.01Å; V17-F33 HydrophobicContact CG2-CE2 4.04Å; V17-F33 HydrophobicContact CG2-CZ 3.44Å; V17-F33 VanDerWaalsContact CG2-CZ 3.44Å; L29-F33 HydrophobicContact CD1-CD2 3.97Å; L29-F33 HydrophobicContact CD1-CE2 3.67Å; L29-F33 VanDerWaalsContact O-CD2 3.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.3Å; L29-F33 PolarHBondContact O-N 3.29Å; Q30-F33 PolarHBondContact O-N 3.11Å; Q30-F33 VanDerWaalsContact O-N 3.12Å; A31-F33 VanDerWaalsContact C-N 3.33Å; A31-F33 PolarHBondContact O-N 2.87Å; F33-E35 PolarHBondContact O-N 3.08Å; F33-I36 PolarHBondContact O-N 3.23Å; F33-I36 VanDerWaalsContact O-N 3.13Å; F33-V39 HydrophobicContact CB-CG2 3.83Å; F33-V59 HydrophobicContact CB-CG1 3.88Å; F33-V59 HydrophobicContact CD1-CB 4.08Å; F33-V59 HydrophobicContact CD1-CG1 3.78Å; F33-V59 HydrophobicContact CD1-CG2 4.02Å; F33-V59 HydrophobicContact CD2-CG2 4.02Å; F33-V59 HydrophobicContact CE1-CB 4.4Å; F33-V59 HydrophobicContact CE1-CG2 4.23Å; F33-V59 HydrophobicContact CE2-CG2 4.23Å; F33-V59 HydrophobicContact CG-CB 4.35Å; F33-V59 HydrophobicContact CG-CG1 3.9Å; F33-V59 HydrophobicContact CG-CG2 3.92Å; F33-V59 HydrophobicContact CZ-CG2 4.33Å; F33-F61 HydrophobicContact CB-CZ 3.96Å; F33-F61 AromaticContact CD1-CE2 3.83Å; F33-F61 HydrophobicContact CD1-CE2 3.83Å; F33-F61 AromaticContact CD1-CZ 3.86Å; F33-F61 HydrophobicContact CD1-CZ 3.86Å; F33-F61 HydrophobicContact CG-CZ 4.43Å; F33-F61 WeakPolarHBondContact O-CE1 3.26Å; F33-F61 WeakPolarHBondContact O-CZ 3.36Å; F33-A70 HydrophobicContact CD1-CB 4.09Å; F33-A70 HydrophobicContact CE1-CB 4.24Å; F33-L74 HydrophobicContact CD1-CD1 4.09Å; F33-L74 HydrophobicContact CD2-CD1 4.39Å; F33-L74 HydrophobicContact CE1-CD1 4.3Å; F33-L74 HydrophobicContact CG-CD1 4.15Å; F33-I84 HydrophobicContact CE2-CD1 3.82Å; F33-I84 HydrophobicContact CZ-CD1 3.97Å; F33-I86 HydrophobicContact CE1-CD1 3.74Å; F33-I86 HydrophobicContact CE1-CG1 4.47Å; F33-I86 HydrophobicContact CZ-CD1 3.52Å; F33-I86 HydrophobicContact CZ-CG1 4.03Å
34	S	96.3	Very high	96.1	Very high	58 Å²	58	50.4 Å²	50.4	41%	0.406	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.1	170.4	-65.7	0	0	0	0	114.3	Q30 A31 I36	Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 2.83Å; A31-S34 PolarHBondContact O-N 2.82Å; S34-I36 PolarHBondContact O-N 2.91Å
35	E	95.7	Very high	96.1	Very high	121 Å²	121	51.5 Å²	51.5	57%	0.565	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	166.7	-64.5	175.5	-163.5	0	0	112.7	K32 F33	K32-E35 VanDerWaalsContact CD-CD 3.49Å; K32-E35 WeakPolarHBondContact CD-OE1 3.31Å; K32-E35 VanDerWaalsContact NZ-CD 3.33Å; K32-E35 IonicContact NZ-OE1 2.65Å; K32-E35 PolarHBondContact NZ-OE1 2.88Å; K32-E35 IonicContact NZ-OE2 3.73Å; K32-E35 PolarHBondContact NZ-OE2 3.21Å; K32-E35 WeakPolarHBondContact O-CB 3.36Å; F33-E35 PolarHBondContact O-N 3.08Å
36	I	96.9	Very high	96.1	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.185	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-34.2	-177.3	-56	-65.7	0	0	0	112.3	F33 S34 F61 H66 Q69 A70 V73 L74	F33-I36 PolarHBondContact O-N 3.23Å; F33-I36 VanDerWaalsContact O-N 3.13Å; S34-I36 PolarHBondContact O-N 2.91Å; I36-F61 HydrophobicContact CB-CE1 4.35Å; I36-F61 HydrophobicContact CB-CZ 4.32Å; I36-H66 HydrophobicContact CG2-CB 4.22Å; I36-H66 WeakPolarHBondContact CG2-O 3.41Å; I36-H66 PolarHBondContact O-CD2 3.04Å; I36-Q69 HydrophobicContact CG2-CB 3.7Å; I36-A70 HydrophobicContact CB-CB 4.37Å; I36-A70 HydrophobicContact CG1-CB 4.07Å; I36-A70 HydrophobicContact CG2-CB 4.24Å; I36-V73 HydrophobicContact CD1-CB 4.02Å; I36-V73 HydrophobicContact CD1-CG1 3.97Å; I36-L74 HydrophobicContact CD1-CD1 4.42Å; I36-L74 HydrophobicContact CD1-CD2 4.3Å; I36-L74 HydrophobicContact CD1-CG 4.13Å; I36-L74 HydrophobicContact CG1-CD1 3.69Å; I36-L74 HydrophobicContact CG1-CD2 4.42Å; I36-L74 HydrophobicContact CG1-CG 3.92Å
37	G	94.5	Very high	95.9	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	30%	0.296	C	S	.	.	S	Bend	trans	169.8	-176.9	-177.8	0	0	0	0	0	114.2	V39	G37-V39 PolarHBondContact O-N 3.04Å
38	P	96	Very high	95.7	Very high	61 Å²	61	57.2 Å²	57.2	40%	0.396	31%	0.308	S	S	.	.			trans	-61.2	117.1	-179.3	22.7	-33.5	0	0	0	113	F61 E62	P38-F61 WeakPolarHBondContact O-CD1 3.31Å; P38-E62 HydrophobicContact CB-CB 4.2Å; P38-E62 WeakPolarHBondContact CB-OE2 3.3Å; P38-E62 HydrophobicContact CG-CB 4.11Å; P38-E62 PolarHBondContact O-N 3.37Å; P38-E62 VanDerWaalsContact O-N 3.07Å
39	V	95.9	Very high	95.4	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.097	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107.8	177.9	174.3	0	0	0	0	109.4	Q30 F33 G37 S41 A42 V59 N60 F61	Q30-V39 HydrophobicContact CG-CB 4.4Å; Q30-V39 HydrophobicContact CG-CG1 4.15Å; F33-V39 HydrophobicContact CB-CG2 3.83Å; G37-V39 PolarHBondContact O-N 3.04Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.8Å; V39-A42 HydrophobicContact CG1-CB 4.09Å; V39-V59 HydrophobicContact CG1-CG1 3.82Å; V39-V59 HydrophobicContact CG2-CG1 4.25Å; V39-N60 CarbonylContact C-O 3.44Å; V39-F61 HydrophobicContact CG2-CD1 3.97Å; V39-F61 HydrophobicContact CG2-CE1 3.61Å; V39-F61 HydrophobicContact CG2-CZ 4.11Å
40	L	94.8	Very high	95.2	Very high	129 Å²	129	63 Å²	63	68%	0.675	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	-36.2	175.4	178.8	65.1	0	0	0	112.1	N60	L40-N60 WeakPolarHBondContact CB-O 3.26Å; L40-N60 PolarHBondContact N-O 3.38Å
41	S	95	Very high	94.9	Very high	50 Å²	50	67.4 Å²	67.4	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	143.1	170	43.9	0	0	0	0	112.4	V39 V59 N60	V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.8Å; S41-V59 CarbonylContact O-C 3.42Å; S41-V59 WeakPolarHBondContact O-CA 3.45Å; S41-N60 PolarHBondContact N-O 3.37Å; S41-N60 PolarHBondContact O-N 2.79Å; S41-N60 PolarHBondContact OG-ND2 3.03Å
42	A	96.8	Very high	94.7	Very high	14 Å²	14	70.7 Å²	70.7	12%	0.116	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.1	165.8	0	0	0	0	0	109.4	L29 Q30 V39 Y58 V59	L29-A42 HydrophobicContact CB-CB 4.46Å; L29-A42 HydrophobicContact CD2-CB 4.28Å; L29-A42 HydrophobicContact CG-CB 4.16Å; Q30-A42 HydrophobicContact CB-CB 3.84Å; Q30-A42 HydrophobicContact CG-CB 4.28Å; V39-A42 HydrophobicContact CG1-CB 4.09Å; A42-Y58 WeakPolarHBondContact CA-O 3.39Å; A42-V59 HydrophobicContact CB-CG2 3.99Å
43	R	96.4	Very high	94.5	Very high	180 Å²	180	70.1 Å²	70.1	68%	0.679	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	129.8	-176.7	-174.4	176.9	177.7	-177.8	-0.8	111.4	D26 G57 Y58	D26-R43 WeakPolarHBondContact OD2-CA 3.47Å; R43-G57 CarbonylContact O-C 3.6Å; R43-G57 WeakPolarHBondContact O-CA 3.4Å; R43-Y58 PolarHBondContact N-O 3.06Å; R43-Y58 PolarHBondContact O-N 3.29Å
44	V	97.2	Very high	94.4	Very high	3 Å²	3	74.4 Å²	74.4	2%	0.018	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.9	171.5	178.4	0	0	0	0	108.5	L20 V24 D26 L29 R46 S53	L20-V44 HydrophobicContact CD1-CG1 4.49Å; L20-V44 HydrophobicContact CD1-CG2 4.19Å; V24-V44 HydrophobicContact CG1-CG2 4.03Å; D26-V44 PolarHBondContact OD2-N 3.12Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CG2 4.11Å; V44-R46 HydrophobicContact CG1-CG 4.25Å; V44-R46 PolarHBondContact O-N 2.89Å; V44-S53 WeakPolarHBondContact CG1-OG 3.34Å
45	C	95.4	Very high	94.3	Very high	23 Å²	23	72.6 Å²	72.6	16%	0.155	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.3	174	-70	0	0	0	0	109.4	L54 Y56	C45-L54 HydrophobicContact CB-CD1 4.23Å; C45-L54 WeakPolarHBondContact O-CB 3.3Å; C45-L54 PolarHBondContact O-N 3.33Å; C45-Y56 HydrophobicContact CB-CD1 4.49Å; C45-Y56 HydrophobicContact CB-CD2 3.88Å; C45-Y56 HydrophobicContact CB-CE1 4.1Å; C45-Y56 HydrophobicContact CB-CE2 3.43Å; C45-Y56 VanDerWaalsContact CB-CE2 3.43Å; C45-Y56 HydrophobicContact CB-CG 4.38Å; C45-Y56 PolarHBondContact N-O 2.83Å; C45-Y56 WeakPolarHBondContact SG-CE2 3.44Å
46	R	96.2	Very high	94.3	Very high	77 Å²	77	69.9 Å²	69.9	29%	0.291	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.3	-174.3	-63.4	175.1	-170.2	-71.7	-9.9	109.5	V24 D26 V44 H52	V24-R46 PolarHBondContact O-NH2 3.09Å; D26-R46 IonicContact OD1-CZ 2.65Å; D26-R46 IonicContact OD1-NE 4Å; D26-R46 PolarHBondContact OD1-NE 2.71Å; D26-R46 VanDerWaalsContact OD1-NE 3.17Å; D26-R46 IonicContact OD1-NH2 3.26Å; D26-R46 PolarHBondContact OD1-NH2 3.16Å; V44-R46 HydrophobicContact CG1-CG 4.25Å; V44-R46 PolarHBondContact O-N 2.89Å; R46-H52 CarbonylContact C-O 3.58Å; R46-H52 WeakPolarHBondContact CA-O 3.48Å; R46-H52 WeakPolarHBondContact CB-O 3.27Å
47	D	92.7	Very high	94.3	Very high	58 Å²	58	68.2 Å²	68.2	31%	0.31	36%	0.356	S	S	.	.			trans	-60.3	138.7	172.6	172.8	54.6	0	0	0	110.6	A49 T50 R51 H52 L54	D47-A49 PolarHBondContact OD2-N 3.16Å; D47-T50 WeakPolarHBondContact CB-OG1 3.32Å; D47-T50 VanDerWaalsContact OD2-CB 3.3Å; D47-T50 WeakPolarHBondContact OD2-CB 3.02Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.44Å; D47-T50 PolarHBondContact OD2-N 3.29Å; D47-T50 PolarHBondContact OD2-OG1 3.04Å; D47-R51 WeakPolarHBondContact O-CA 3.5Å; D47-R51 PolarHBondContact O-N 3.25Å; D47-H52 PolarHBondContact N-O 3.11Å; D47-L54 HydrophobicContact CB-CD2 3.96Å
48	L	91	Very high	94.4	Very high	156 Å²	156	70.9 Å²	70.9	82%	0.817	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.7	-170.6	-163.3	68.9	0	0	0	112
49	A	90.5	Very high	94.5	Very high	77 Å²	77	68 Å²	68	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-42.3	-176.8	0	0	0	0	0	113.1	D47	D47-A49 PolarHBondContact OD2-N 3.16Å
50	T	92.6	Very high	94.5	Very high	69 Å²	69	68.9 Å²	68.9	42%	0.423	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.6	-175.6	64.5	0	0	0	0	114.1	D47 H52	D47-T50 WeakPolarHBondContact CB-OG1 3.32Å; D47-T50 VanDerWaalsContact OD2-CB 3.3Å; D47-T50 WeakPolarHBondContact OD2-CB 3.02Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.44Å; D47-T50 PolarHBondContact OD2-N 3.29Å; D47-T50 PolarHBondContact OD2-OG1 3.04Å; T50-H52 PolarHBondContact O-CD2 3.25Å; T50-H52 PolarHBondContact O-N 3.23Å
51	R	89.8	Confident	94.6	Very high	176 Å²	176	62.8 Å²	62.8	66%	0.664	32%	0.316	S	S	*	.			trans	60.7	4.9	-175.1	-54	-69.1	-68.5	-158.6	-5	115	D47	D47-R51 WeakPolarHBondContact O-CA 3.5Å; D47-R51 PolarHBondContact O-N 3.25Å
52	H	91.2	Very high	94.5	Very high	133 Å²	133	67 Å²	67	62%	0.616	33%	0.33	S	S	*	.			trans	-68.6	149.4	176.1	-67.1	170.8	0	0	0	111.6	R46 D47 T50	R46-H52 CarbonylContact C-O 3.58Å; R46-H52 WeakPolarHBondContact CA-O 3.48Å; R46-H52 WeakPolarHBondContact CB-O 3.27Å; D47-H52 PolarHBondContact N-O 3.11Å; T50-H52 PolarHBondContact O-CD2 3.25Å; T50-H52 PolarHBondContact O-N 3.23Å
53	S	93.8	Very high	94.4	Very high	21 Å²	21	68.7 Å²	68.7	15%	0.147	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.4	175.4	178.5	0	0	0	0	111.3	V44 G55	V44-S53 WeakPolarHBondContact CG1-OG 3.34Å; S53-G55 PolarHBondContact O-N 3.28Å; S53-G55 PolarHBondContact OG-N 3.18Å; S53-G55 VanDerWaalsContact OG-N 3.1Å
54	L	94	Very high	94.2	Very high	89 Å²	89	62.4 Å²	62.4	47%	0.466	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	5	171.4	-61.4	176.7	0	0	0	112.5	C45 D47 Y56	C45-L54 HydrophobicContact CB-CD1 4.23Å; C45-L54 WeakPolarHBondContact O-CB 3.3Å; C45-L54 PolarHBondContact O-N 3.33Å; D47-L54 HydrophobicContact CB-CD2 3.96Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 HydrophobicContact CB-CD1 3.85Å; L54-Y56 HydrophobicContact CB-CE1 3.55Å; L54-Y56 HydrophobicContact CD1-CE1 4.02Å; L54-Y56 HydrophobicContact CG-CE1 4.44Å
55	G	94.3	Very high	94.1	Very high	21 Å²	21	68.6 Å²	68.6	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.2	14.9	-179.8	0	0	0	0	0	114.3	G18 D19 L20 S53	G18-G55 CarbonylContact C-O 3.56Å; D19-G55 WeakPolarHBondContact CA-O 3.5Å; D19-G55 PolarHBondContact N-O 2.86Å; L20-G55 PolarHBondContact N-O 2.99Å; S53-G55 PolarHBondContact O-N 3.28Å; S53-G55 PolarHBondContact OG-N 3.18Å; S53-G55 VanDerWaalsContact OG-N 3.1Å
56	Y	96.1	Very high	94.1	Very high	64 Å²	64	69.7 Å²	69.7	25%	0.251	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.9	173.4	72.4	-86.4	0	0	0	112.1	Y16 V17 C45 L54 Y58	Y16-Y56 HydrophobicContact CD2-CD2 4.13Å; Y16-Y56 AromaticContact CE2-CD2 3.45Å; Y16-Y56 HydrophobicContact CE2-CD2 3.45Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.45Å; Y16-Y56 HydrophobicContact CE2-CE2 4.23Å; Y16-Y56 AromaticContact CE2-CG 3.74Å; Y16-Y56 HydrophobicContact CE2-CG 3.74Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.35Å; V17-Y56 CarbonylContact O-C 3.51Å; V17-Y56 WeakPolarHBondContact O-CA 3.21Å; V17-Y56 WeakPolarHBondContact O-CB 3.39Å; C45-Y56 HydrophobicContact CB-CD1 4.49Å; C45-Y56 HydrophobicContact CB-CD2 3.88Å; C45-Y56 HydrophobicContact CB-CE1 4.1Å; C45-Y56 HydrophobicContact CB-CE2 3.43Å; C45-Y56 VanDerWaalsContact CB-CE2 3.43Å; C45-Y56 HydrophobicContact CB-CG 4.38Å; C45-Y56 PolarHBondContact N-O 2.83Å; C45-Y56 WeakPolarHBondContact SG-CE2 3.44Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 HydrophobicContact CB-CD1 3.85Å; L54-Y56 HydrophobicContact CB-CE1 3.55Å; L54-Y56 HydrophobicContact CD1-CE1 4.02Å; L54-Y56 HydrophobicContact CG-CE1 4.44Å; Y56-Y58 HydrophobicContact CD2-CE2 4.34Å; Y56-Y58 AromaticContact CE2-CE2 3.92Å; Y56-Y58 HydrophobicContact CE2-CE2 3.92Å
57	G	96.9	Very high	94.1	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	-175.6	174.4	0	0	0	0	0	111.8	V17 R43	V17-G57 PolarHBondContact N-O 3.04Å; V17-G57 PolarHBondContact O-N 3.44Å; R43-G57 CarbonylContact O-C 3.6Å; R43-G57 WeakPolarHBondContact O-CA 3.4Å
58	Y	96.8	Very high	94.1	Very high	71 Å²	71	67.7 Å²	67.7	28%	0.278	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.7	173.6	-62.5	-81.2	0	0	0	109.9	L15 Y16 A42 R43 Y56 S89	L15-Y58 VanDerWaalsContact O-CA 3.31Å; L15-Y58 WeakPolarHBondContact O-CA 3.3Å; Y16-Y58 HydrophobicContact CD2-CD1 4.43Å; Y16-Y58 AromaticContact CD2-CE1 3.79Å; Y16-Y58 HydrophobicContact CD2-CE1 3.79Å; Y16-Y58 HydrophobicContact CG-CE1 4.48Å; A42-Y58 WeakPolarHBondContact CA-O 3.39Å; R43-Y58 PolarHBondContact N-O 3.06Å; R43-Y58 PolarHBondContact O-N 3.29Å; Y56-Y58 HydrophobicContact CD2-CE2 4.34Å; Y56-Y58 AromaticContact CE2-CE2 3.92Å; Y56-Y58 HydrophobicContact CE2-CE2 3.92Å; Y58-S89 WeakPolarHBondContact CD1-OG 3.17Å; Y58-S89 WeakPolarHBondContact CE1-OG 3.32Å
59	V	97.3	Very high	94.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.2	173.2	-179.2	0	0	0	0	107.9	L15 V17 L29 F33 V39 S41 A42 F61	L15-V59 PolarHBondContact N-O 3.32Å; L15-V59 PolarHBondContact O-N 2.94Å; V17-V59 HydrophobicContact CG2-CB 4.46Å; V17-V59 HydrophobicContact CG2-CG2 3.82Å; L29-V59 HydrophobicContact CD1-CG2 4.21Å; L29-V59 HydrophobicContact CD2-CG2 3.98Å; L29-V59 HydrophobicContact CG-CG2 3.88Å; F33-V59 HydrophobicContact CB-CG1 3.88Å; F33-V59 HydrophobicContact CD1-CB 4.08Å; F33-V59 HydrophobicContact CD1-CG1 3.78Å; F33-V59 HydrophobicContact CD1-CG2 4.02Å; F33-V59 HydrophobicContact CD2-CG2 4.02Å; F33-V59 HydrophobicContact CE1-CB 4.4Å; F33-V59 HydrophobicContact CE1-CG2 4.23Å; F33-V59 HydrophobicContact CE2-CG2 4.23Å; F33-V59 HydrophobicContact CG-CB 4.35Å; F33-V59 HydrophobicContact CG-CG1 3.9Å; F33-V59 HydrophobicContact CG-CG2 3.92Å; F33-V59 HydrophobicContact CZ-CG2 4.33Å; V39-V59 HydrophobicContact CG1-CG1 3.82Å; V39-V59 HydrophobicContact CG2-CG1 4.25Å; S41-V59 CarbonylContact O-C 3.42Å; S41-V59 WeakPolarHBondContact O-CA 3.45Å; A42-V59 HydrophobicContact CB-CG2 3.99Å; V59-F61 HydrophobicContact CG1-CD2 4.33Å; V59-F61 HydrophobicContact CG1-CE2 4.05Å
60	N	96	Very high	94.6	Very high	36 Å²	36	61.1 Å²	61.1	19%	0.193	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.1	174.4	-52.6	-65.9	0	0	0	108.2	S13 S14 V39 L40 S41	S13-N60 WeakPolarHBondContact O-CA 3.36Å; S14-N60 VanDerWaalsContact CB-OD1 3.28Å; S14-N60 WeakPolarHBondContact CB-OD1 3.48Å; S14-N60 PolarHBondContact OG-OD1 2.84Å; V39-N60 CarbonylContact C-O 3.44Å; L40-N60 WeakPolarHBondContact CB-O 3.26Å; L40-N60 PolarHBondContact N-O 3.38Å; S41-N60 PolarHBondContact N-O 3.37Å; S41-N60 PolarHBondContact O-N 2.79Å; S41-N60 PolarHBondContact OG-ND2 3.03Å
61	F	96.6	Very high	94.6	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	161.7	170.8	-75.3	-86.8	0	0	0	111.6	S13 L15 F33 I36 P38 V39 V59 H66 A67 A70	S13-F61 WeakPolarHBondContact CB-O 3.49Å; S13-F61 PolarHBondContact O-N 2.91Å; S13-F61 PolarHBondContact OG-O 2.84Å; L15-F61 HydrophobicContact CD1-CD2 4.35Å; L15-F61 HydrophobicContact CD1-CE2 3.91Å; F33-F61 HydrophobicContact CB-CZ 3.96Å; F33-F61 AromaticContact CD1-CE2 3.83Å; F33-F61 HydrophobicContact CD1-CE2 3.83Å; F33-F61 AromaticContact CD1-CZ 3.86Å; F33-F61 HydrophobicContact CD1-CZ 3.86Å; F33-F61 HydrophobicContact CG-CZ 4.43Å; F33-F61 WeakPolarHBondContact O-CE1 3.26Å; F33-F61 WeakPolarHBondContact O-CZ 3.36Å; I36-F61 HydrophobicContact CB-CE1 4.35Å; I36-F61 HydrophobicContact CB-CZ 4.32Å; P38-F61 WeakPolarHBondContact O-CD1 3.31Å; V39-F61 HydrophobicContact CG2-CD1 3.97Å; V39-F61 HydrophobicContact CG2-CE1 3.61Å; V39-F61 HydrophobicContact CG2-CZ 4.11Å; V59-F61 HydrophobicContact CG1-CD2 4.33Å; V59-F61 HydrophobicContact CG1-CE2 4.05Å; F61-H66 HydrophobicContact CB-CB 4.17Å; F61-H66 HydrophobicContact CD1-CB 3.4Å; F61-H66 HydrophobicContact CE1-CB 3.83Å; F61-H66 HydrophobicContact CG-CB 3.81Å; F61-A67 HydrophobicContact CB-CB 4.29Å; F61-A67 VanDerWaalsContact CD2-CA 3.46Å; F61-A67 HydrophobicContact CD2-CB 3.69Å; F61-A67 HydrophobicContact CE2-CB 4.46Å; F61-A67 HydrophobicContact CG-CB 4.34Å; F61-A70 HydrophobicContact CE2-CB 3.57Å; F61-A70 HydrophobicContact CZ-CB 3.64Å
62	E	93.9	Very high	94.7	Very high	139 Å²	139	57.7 Å²	57.7	65%	0.65	28%	0.28	S	S	*	.	S	Bend	trans	-75.9	-46.5	173.3	-169.7	170.4	-162.3	0	0	112.2	P38	P38-E62 HydrophobicContact CB-CB 4.2Å; P38-E62 WeakPolarHBondContact CB-OE2 3.3Å; P38-E62 HydrophobicContact CG-CB 4.11Å; P38-E62 PolarHBondContact O-N 3.37Å; P38-E62 VanDerWaalsContact O-N 3.07Å
63	D	93.5	Very high	94.8	Very high	49 Å²	49	55.7 Å²	55.7	26%	0.262	28%	0.277	S	S	.	.	S	Bend	trans	-101.9	127.6	169.4	-175	-23.4	0	0	0	109.6	K65 H66	D63-K65 PolarHBondContact O-N 2.65Å; D63-K65 VanDerWaalsContact O-N 3.11Å; D63-K65 WeakPolarHBondContact OD1-CB 3.46Å; D63-K65 VanDerWaalsContact OD1-CG 3.32Å; D63-K65 WeakPolarHBondContact OD1-CG 3.12Å; D63-K65 PolarHBondContact OD1-N 3.24Å; D63-K65 IonicContact OD1-NZ 3.18Å; D63-K65 IonicContact OD2-NZ 3.48Å; D63-K65 PolarHBondContact OD2-NZ 3.41Å; D63-H66 PolarHBondContact O-N 3.24Å; D63-H66 VanDerWaalsContact O-N 3.1Å
64	P	93.3	Very high	94.9	Very high	47 Å²	47	54.9 Å²	54.9	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-48.1	-29.8	170.5	-29.4	35.3	0	0	0	115.7	H66 A67 E68	P64-H66 VanDerWaalsContact C-N 3.32Å; P64-H66 PolarHBondContact O-N 3.33Å; P64-A67 WeakPolarHBondContact O-CA 3.35Å; P64-A67 VanDerWaalsContact O-CB 3.31Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.87Å; P64-E68 PolarHBondContact O-N 3.01Å
65	K	94.8	Very high	94.8	Very high	134 Å²	134	51.8 Å²	51.8	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-60.7	-39.7	177.2	-64.6	173.3	-154.1	127.4	0	112.6	D63 A67 E68 Q69	D63-K65 PolarHBondContact O-N 2.65Å; D63-K65 VanDerWaalsContact O-N 3.11Å; D63-K65 WeakPolarHBondContact OD1-CB 3.46Å; D63-K65 VanDerWaalsContact OD1-CG 3.32Å; D63-K65 WeakPolarHBondContact OD1-CG 3.12Å; D63-K65 PolarHBondContact OD1-N 3.24Å; D63-K65 IonicContact OD1-NZ 3.18Å; D63-K65 IonicContact OD2-NZ 3.48Å; D63-K65 PolarHBondContact OD2-NZ 3.41Å; K65-A67 PolarHBondContact O-N 2.85Å; K65-E68 PolarHBondContact O-N 3.12Å; K65-Q69 WeakPolarHBondContact O-CB 3.29Å; K65-Q69 WeakPolarHBondContact O-CG 3.15Å; K65-Q69 PolarHBondContact O-N 3.06Å
66	H	95.9	Very high	94.7	Very high	46 Å²	46	51.8 Å²	51.8	21%	0.213	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-28.1	175.8	-57.8	122.8	0	0	0	111.3	I36 F61 D63 P64 A70	I36-H66 HydrophobicContact CG2-CB 4.22Å; I36-H66 WeakPolarHBondContact CG2-O 3.41Å; I36-H66 PolarHBondContact O-CD2 3.04Å; F61-H66 HydrophobicContact CB-CB 4.17Å; F61-H66 HydrophobicContact CD1-CB 3.4Å; F61-H66 HydrophobicContact CE1-CB 3.83Å; F61-H66 HydrophobicContact CG-CB 3.81Å; D63-H66 PolarHBondContact O-N 3.24Å; D63-H66 VanDerWaalsContact O-N 3.1Å; P64-H66 VanDerWaalsContact C-N 3.32Å; P64-H66 PolarHBondContact O-N 3.33Å; H66-A70 WeakPolarHBondContact O-CB 3.44Å; H66-A70 PolarHBondContact O-N 2.97Å
67	A	95	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-39	172.9	0	0	0	0	0	112.2	L15 F61 P64 K65 L71 W88	L15-A67 HydrophobicContact CD1-CB 4.36Å; L15-A67 HydrophobicContact CD2-CB 4.25Å; L15-A67 HydrophobicContact CG-CB 4.14Å; F61-A67 HydrophobicContact CB-CB 4.29Å; F61-A67 VanDerWaalsContact CD2-CA 3.46Å; F61-A67 HydrophobicContact CD2-CB 3.69Å; F61-A67 HydrophobicContact CE2-CB 4.46Å; F61-A67 HydrophobicContact CG-CB 4.34Å; P64-A67 WeakPolarHBondContact O-CA 3.35Å; P64-A67 VanDerWaalsContact O-CB 3.31Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 2.87Å; K65-A67 PolarHBondContact O-N 2.85Å; A67-L71 WeakPolarHBondContact O-CB 3.12Å; A67-L71 PolarHBondContact O-N 2.9Å; A67-L71 VanDerWaalsContact O-N 3.08Å; A67-W88 HydrophobicContact CB-CH2 4.06Å; A67-W88 HydrophobicContact CB-CZ3 3.8Å
68	E	94	Very high	94.4	Very high	93 Å²	93	56.7 Å²	56.7	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-49.9	174.2	-170.9	152.6	-119.7	0	0	111.1	P64 K65 A70 L71 E72 W88	P64-E68 PolarHBondContact O-N 3.01Å; K65-E68 PolarHBondContact O-N 3.12Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.36Å; E68-L71 WeakPolarHBondContact O-CA 3.42Å; E68-L71 WeakPolarHBondContact O-CB 3.34Å; E68-L71 PolarHBondContact O-N 3.04Å; E68-E72 PolarHBondContact O-N 3.21Å; E68-W88 HydrophobicContact CB-CH2 3.99Å; E68-W88 HydrophobicContact CB-CZ2 4.04Å; E68-W88 HydrophobicContact CG-CZ2 4.26Å
69	Q	95.5	Very high	94.2	Very high	94 Å²	94	54.3 Å²	54.3	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-57	-40.6	174.1	-72.5	173.9	-26.7	0	0	112.6	I36 K65 L71 E72 V73	I36-Q69 HydrophobicContact CG2-CB 3.7Å; K65-Q69 WeakPolarHBondContact O-CB 3.29Å; K65-Q69 WeakPolarHBondContact O-CG 3.15Å; K65-Q69 PolarHBondContact O-N 3.06Å; Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 3.4Å; Q69-E72 PolarHBondContact O-N 2.77Å; Q69-V73 WeakPolarHBondContact O-CB 3.33Å; Q69-V73 WeakPolarHBondContact O-CG2 3.35Å; Q69-V73 PolarHBondContact O-N 2.89Å
70	A	96.1	Very high	93.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-30.8	176.3	0	0	0	0	0	112.7	L15 F33 I36 F61 H66 E68 L74 I86	L15-A70 HydrophobicContact CD1-CB 3.97Å; F33-A70 HydrophobicContact CD1-CB 4.09Å; F33-A70 HydrophobicContact CE1-CB 4.24Å; I36-A70 HydrophobicContact CB-CB 4.37Å; I36-A70 HydrophobicContact CG1-CB 4.07Å; I36-A70 HydrophobicContact CG2-CB 4.24Å; F61-A70 HydrophobicContact CE2-CB 3.57Å; F61-A70 HydrophobicContact CZ-CB 3.64Å; H66-A70 WeakPolarHBondContact O-CB 3.44Å; H66-A70 PolarHBondContact O-N 2.97Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.36Å; A70-L74 HydrophobicContact CB-CD1 4.29Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 PolarHBondContact O-N 2.8Å; A70-I86 VanDerWaalsContact O-CD1 3.29Å; A70-I86 WeakPolarHBondContact O-CD1 3.45Å
71	L	93	Very high	93.6	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-73.8	-25.8	174.5	-176.6	146.3	0	0	0	112.7	L15 A67 E68 Q69 N75 I86 W88	L15-L71 HydrophobicContact CD2-CB 4.31Å; L15-L71 HydrophobicContact CD2-CD1 4.13Å; A67-L71 WeakPolarHBondContact O-CB 3.12Å; A67-L71 PolarHBondContact O-N 2.9Å; A67-L71 VanDerWaalsContact O-N 3.08Å; E68-L71 WeakPolarHBondContact O-CA 3.42Å; E68-L71 WeakPolarHBondContact O-CB 3.34Å; E68-L71 PolarHBondContact O-N 3.04Å; Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 3.4Å; L71-N75 VanDerWaalsContact O-CB 3.25Å; L71-N75 WeakPolarHBondContact O-CB 3.44Å; L71-I86 HydrophobicContact CB-CG2 4.02Å; L71-I86 HydrophobicContact CD1-CG2 4.24Å; L71-I86 HydrophobicContact CG-CG2 4.12Å; L71-W88 HydrophobicContact CD1-CD2 4.09Å; L71-W88 HydrophobicContact CD1-CG 4.07Å
72	E	90.8	Very high	93.3	Very high	147 Å²	147	65 Å²	65	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-84.1	-46.1	173.4	-66	-174	155	0	0	112.6	E68 Q69	E68-E72 PolarHBondContact O-N 3.21Å; Q69-E72 PolarHBondContact O-N 2.77Å
73	V	93.5	Very high	93.2	Very high	91 Å²	91	60.1 Å²	60.1	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-88.1	-37.7	-170.4	179	0	0	0	0	113.4	I36 Q69	I36-V73 HydrophobicContact CD1-CB 4.02Å; I36-V73 HydrophobicContact CD1-CG1 3.97Å; Q69-V73 WeakPolarHBondContact O-CB 3.33Å; Q69-V73 WeakPolarHBondContact O-CG2 3.35Å; Q69-V73 PolarHBondContact O-N 2.89Å
74	L	95	Very high	93.3	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	-99.6	5.5	-173.7	-55.7	-178.4	0	0	0	113.7	K32 F33 I36 A70 E77 I84 I86	K32-L74 WeakPolarHBondContact O-CD1 3.47Å; F33-L74 HydrophobicContact CD1-CD1 4.09Å; F33-L74 HydrophobicContact CD2-CD1 4.39Å; F33-L74 HydrophobicContact CE1-CD1 4.3Å; F33-L74 HydrophobicContact CG-CD1 4.15Å; I36-L74 HydrophobicContact CD1-CD1 4.42Å; I36-L74 HydrophobicContact CD1-CD2 4.3Å; I36-L74 HydrophobicContact CD1-CG 4.13Å; I36-L74 HydrophobicContact CG1-CD1 3.69Å; I36-L74 HydrophobicContact CG1-CD2 4.42Å; I36-L74 HydrophobicContact CG1-CG 3.92Å; A70-L74 HydrophobicContact CB-CD1 4.29Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 PolarHBondContact O-N 2.8Å; L74-E77 HydrophobicContact CD2-CG 4.46Å; L74-E77 WeakPolarHBondContact O-CB 3.16Å; L74-E77 PolarHBondContact O-N 3.42Å; L74-I84 WeakPolarHBondContact O-CG1 3.17Å; L74-I86 VanDerWaalsContact C-CD1 3.42Å; L74-I86 HydrophobicContact CB-CD1 3.58Å; L74-I86 VanDerWaalsContact O-CD1 3.27Å; L74-I86 WeakPolarHBondContact O-CD1 3.21Å
75	N	93.2	Very high	93.4	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.123	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	128.2	-177.7	-158.9	5.4	0	0	0	110.7	L71 E77 I86	L71-N75 VanDerWaalsContact O-CB 3.25Å; L71-N75 WeakPolarHBondContact O-CB 3.44Å; N75-E77 PolarHBondContact O-N 3.48Å; N75-I86 HydrophobicContact CB-CB 4.22Å; N75-I86 HydrophobicContact CB-CD1 4.49Å; N75-I86 HydrophobicContact CB-CG1 4.48Å; N75-I86 PolarHBondContact ND2-O 3.43Å; N75-I86 PolarHBondContact OD1-N 2.9Å
76	Y	92.3	Very high	93.4	Very high	22 Å²	22	51.1 Å²	51.1	9%	0.086	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	7	-168.2	-37.6	-63.9	0	0	0	115.1	P83 I84 R85 Q114 K115 Y118 C130	Y76-P83 WeakPolarHBondContact O-CB 3.4Å; Y76-I84 WeakPolarHBondContact CA-O 3.38Å; Y76-I84 PolarHBondContact N-O 3.33Å; Y76-R85 HydrophobicContact CE1-CG 4.2Å; Y76-Q114 HydrophobicContact CD1-CB 3.47Å; Y76-Q114 VanDerWaalsContact CD1-CB 3.47Å; Y76-Q114 HydrophobicContact CD1-CG 4.17Å; Y76-Q114 HydrophobicContact CE1-CB 4.03Å; Y76-Q114 HydrophobicContact CG-CB 3.82Å; Y76-K115 HydrophobicContact CD2-CB 4.35Å; Y76-Y118 HydrophobicContact CE2-CD1 4.4Å; Y76-Y118 AromaticContact CE2-CD2 3.89Å; Y76-Y118 HydrophobicContact CE2-CD2 3.89Å; Y76-Y118 AromaticContact CE2-CG 3.77Å; Y76-Y118 HydrophobicContact CE2-CG 3.77Å; Y76-Y118 VanDerWaalsContact OH-CD2 3.29Å; Y76-Y118 WeakPolarHBondContact OH-CD2 3.36Å; Y76-C130 WeakPolarHBondContact CE1-O 3.45Å; Y76-C130 WeakPolarHBondContact OH-CB 3.25Å; Y76-C130 PolarHBondContact OH-N 3.33Å
77	E	93.7	Very high	93.3	Very high	89 Å²	89	50.5 Å²	50.5	42%	0.416	27%	0.269	S	S	.	.			trans	-64.3	145.6	171.8	-90.8	-63	123.2	0	0	112.7	L74 N75 L79 P83 I84	L74-E77 HydrophobicContact CD2-CG 4.46Å; L74-E77 WeakPolarHBondContact O-CB 3.16Å; L74-E77 PolarHBondContact O-N 3.42Å; N75-E77 PolarHBondContact O-N 3.48Å; E77-L79 PolarHBondContact O-N 2.87Å; E77-P83 CarbonylContact O-C 3.5Å; E77-P83 WeakPolarHBondContact O-CA 3.46Å; E77-I84 PolarHBondContact O-N 2.88Å
78	S	92	Very high	93.2	Very high	78 Å²	78	52.8 Å²	52.8	55%	0.545	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	98.8	-170.6	-82.5	0	0	0	0	113.7	R82	S78-R82 CarbonylContact C-O 3.53Å; S78-R82 WeakPolarHBondContact CA-O 3.49Å
79	L	93.6	Very high	93	Very high	20 Å²	20	49 Å²	49	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.4	172.8	-170.5	60	0	0	0	110.8	L20 V24 L29 K32 E77 G81 R82 I84	L20-L79 HydrophobicContact CD2-CD2 4.24Å; V24-L79 HydrophobicContact CG1-CD2 3.97Å; V24-L79 HydrophobicContact CG2-CD2 4.01Å; V24-L79 HydrophobicContact CG2-CG 4.1Å; L29-L79 HydrophobicContact CD1-CD2 4.36Å; K32-L79 HydrophobicContact CB-CD1 4.12Å; K32-L79 HydrophobicContact CG-CD1 4.25Å; E77-L79 PolarHBondContact O-N 2.87Å; L79-G81 VanDerWaalsContact C-N 3.28Å; L79-G81 PolarHBondContact O-N 2.79Å; L79-R82 PolarHBondContact N-O 3.35Å; L79-R82 PolarHBondContact O-N 3.15Å; L79-I84 HydrophobicContact CB-CG2 3.48Å; L79-I84 VanDerWaalsContact CB-CG2 3.48Å; L79-I84 HydrophobicContact CD2-CG2 4.24Å
80	M	91.3	Very high	92.5	Very high	93 Å²	93	47.1 Å²	47.1	46%	0.458	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	39.9	-173	-56.9	-173.9	177.2	0	0	113.5	H21 R23 V24 A28	H21-M80 HydrophobicContact CB-CB 4.07Å; R23-M80 HydrophobicContact CB-SD 4.04Å; V24-M80 HydrophobicContact CG2-CE 4.48Å; V24-M80 HydrophobicContact CG2-CG 4.26Å; V24-M80 HydrophobicContact CG2-SD 3.87Å; A28-M80 HydrophobicContact CB-CE 3.96Å
81	G	89.1	Confident	91.9	Very high	68 Å²	68	56.7 Å²	56.7	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	21.7	177.6	0	0	0	0	0	114.8	L79	L79-G81 VanDerWaalsContact C-N 3.28Å; L79-G81 PolarHBondContact O-N 2.79Å
82	R	89.6	Confident	91.2	Very high	102 Å²	102	58.7 Å²	58.7	39%	0.385	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135	165.6	-68.8	-168.9	175.3	-174.4	-4.6	111.1	H21 S78 L79 I84	H21-R82 HydrophobicContact CB-CB 4.35Å; H21-R82 HydrophobicContact CB-CG 4.27Å; S78-R82 CarbonylContact C-O 3.53Å; S78-R82 WeakPolarHBondContact CA-O 3.49Å; L79-R82 PolarHBondContact N-O 3.35Å; L79-R82 PolarHBondContact O-N 3.15Å; R82-I84 PolarHBondContact O-N 3.17Å
83	P	92.6	Very high	90.7	Very high	36 Å²	36	54.7 Å²	54.7	23%	0.234	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.2	175.1	27.7	-34.8	0	0	0	110.4	Y76 E77 Q114	Y76-P83 WeakPolarHBondContact O-CB 3.4Å; E77-P83 CarbonylContact O-C 3.5Å; E77-P83 WeakPolarHBondContact O-CA 3.46Å; P83-Q114 VanDerWaalsContact CG-NE2 3.26Å
84	I	95	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.282	C	S	.	.			trans	-80	144.3	177.7	68.6	-177.7	0	0	0	110.5	V17 L20 F33 L74 Y76 E77 L79 R82 I86	V17-I84 HydrophobicContact CG1-CB 4.02Å; V17-I84 HydrophobicContact CG1-CD1 4.14Å; V17-I84 HydrophobicContact CG1-CG1 4.41Å; L20-I84 HydrophobicContact CD2-CB 4.43Å; L20-I84 HydrophobicContact CD2-CG2 3.8Å; F33-I84 HydrophobicContact CE2-CD1 3.82Å; F33-I84 HydrophobicContact CZ-CD1 3.97Å; L74-I84 WeakPolarHBondContact O-CG1 3.17Å; Y76-I84 WeakPolarHBondContact CA-O 3.38Å; Y76-I84 PolarHBondContact N-O 3.33Å; E77-I84 PolarHBondContact O-N 2.88Å; L79-I84 HydrophobicContact CB-CG2 3.48Å; L79-I84 VanDerWaalsContact CB-CG2 3.48Å; L79-I84 HydrophobicContact CD2-CG2 4.24Å; R82-I84 PolarHBondContact O-N 3.17Å; I84-I86 HydrophobicContact CD1-CD1 4.12Å; I84-I86 HydrophobicContact CD1-CG1 4.31Å; I84-I86 HydrophobicContact CG1-CD1 4.41Å; I84-I86 HydrophobicContact CG1-CG1 4.22Å
85	R	94.8	Very high	89.3	Confident	38 Å²	38	58 Å²	58	14%	0.143	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.4	179.7	-177.5	167.2	56.1	96.9	11	110.6	G18 D19 Y76 S129 C130	G18-R85 PolarHBondContact N-O 2.74Å; G18-R85 PolarHBondContact O-N 2.83Å; D19-R85 IonicContact OD2-CZ 2.85Å; D19-R85 VanDerWaalsContact OD2-CZ 3.26Å; D19-R85 IonicContact OD2-NE 2.72Å; D19-R85 PolarHBondContact OD2-NE 2.87Å; D19-R85 IonicContact OD2-NH2 3.95Å; D19-R85 PolarHBondContact OD2-NH2 3.09Å; Y76-R85 HydrophobicContact CE1-CG 4.2Å; R85-S129 WeakPolarHBondContact CD-OG 3.33Å; R85-S129 PolarHBondContact NH1-OG 3.42Å; R85-C130 WeakPolarHBondContact CD-O 3.47Å
86	I	95.3	Very high	88.5	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140	-177	-55.7	179.8	0	0	0	109.9	L15 Y16 V17 F33 A70 L71 L74 N75 I84	L15-I86 HydrophobicContact CB-CG2 4.32Å; L15-I86 HydrophobicContact CD1-CG2 3.89Å; L15-I86 HydrophobicContact CD2-CG2 4.18Å; L15-I86 HydrophobicContact CG-CG2 4.37Å; Y16-I86 WeakPolarHBondContact O-CA 3.37Å; V17-I86 HydrophobicContact CG1-CG1 4.41Å; F33-I86 HydrophobicContact CE1-CD1 3.74Å; F33-I86 HydrophobicContact CE1-CG1 4.47Å; F33-I86 HydrophobicContact CZ-CD1 3.52Å; F33-I86 HydrophobicContact CZ-CG1 4.03Å; A70-I86 VanDerWaalsContact O-CD1 3.29Å; A70-I86 WeakPolarHBondContact O-CD1 3.45Å; L71-I86 HydrophobicContact CB-CG2 4.02Å; L71-I86 HydrophobicContact CD1-CG2 4.24Å; L71-I86 HydrophobicContact CG-CG2 4.12Å; L74-I86 VanDerWaalsContact C-CD1 3.42Å; L74-I86 HydrophobicContact CB-CD1 3.58Å; L74-I86 VanDerWaalsContact O-CD1 3.27Å; L74-I86 WeakPolarHBondContact O-CD1 3.21Å; N75-I86 HydrophobicContact CB-CB 4.22Å; N75-I86 HydrophobicContact CB-CD1 4.49Å; N75-I86 HydrophobicContact CB-CG1 4.48Å; N75-I86 PolarHBondContact ND2-O 3.43Å; N75-I86 PolarHBondContact OD1-N 2.9Å; I84-I86 HydrophobicContact CD1-CD1 4.12Å; I84-I86 HydrophobicContact CD1-CG1 4.31Å; I84-I86 HydrophobicContact CG1-CD1 4.41Å; I84-I86 HydrophobicContact CG1-CG1 4.22Å
87	M	93.3	Very high	87.8	Confident	33 Å²	33	69.6 Å²	69.6	16%	0.163	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.4	177.6	-56.7	172.3	50.7	0	0	109.6	L15 Y16 L128 S129	L15-M87 WeakPolarHBondContact CA-O 3.46Å; Y16-M87 HydrophobicContact CD1-CB 4.18Å; Y16-M87 HydrophobicContact CD1-CG 4.21Å; Y16-M87 HydrophobicContact CD1-SD 3.82Å; Y16-M87 HydrophobicContact CE1-SD 4.03Å; Y16-M87 PolarHBondContact N-O 3.14Å; Y16-M87 PolarHBondContact O-N 2.97Å; M87-L128 WeakPolarHBondContact CG-O 3.24Å; M87-S129 PolarHBondContact SD-OG 3.32Å
88	W	93.1	Very high	87.1	Confident	48 Å²	48	68.7 Å²	68.7	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.9	165	-69.5	114.6	0	0	0	111.2	N12 L15 A67 E68 L71 Q90	N12-W88 HydrophobicContact CB-CE3 4.01Å; N12-W88 HydrophobicContact CB-CZ3 4.18Å; N12-W88 WeakPolarHBondContact O-CZ3 3.43Å; L15-W88 HydrophobicContact CD2-CD2 4.28Å; L15-W88 HydrophobicContact CD2-CE3 3.66Å; L15-W88 HydrophobicContact CD2-CH2 4.47Å; L15-W88 HydrophobicContact CD2-CZ3 3.77Å; A67-W88 HydrophobicContact CB-CH2 4.06Å; A67-W88 HydrophobicContact CB-CZ3 3.8Å; E68-W88 HydrophobicContact CB-CH2 3.99Å; E68-W88 HydrophobicContact CB-CZ2 4.04Å; E68-W88 HydrophobicContact CG-CZ2 4.26Å; L71-W88 HydrophobicContact CD1-CD2 4.09Å; L71-W88 HydrophobicContact CD1-CG 4.07Å; W88-Q90 PolarHBondContact O-N 3.02Å
89	S	91.3	Very high	86.6	Confident	15 Å²	15	66.3 Å²	66.3	11%	0.105	34%	0.344	C	S	.	.			trans	-76.4	87.5	-175.2	-168.8	0	0	0	0	112.4	S14 Y58 R91	S14-S89 WeakPolarHBondContact O-CB 3.29Å; S14-S89 PolarHBondContact O-N 2.94Å; Y58-S89 WeakPolarHBondContact CD1-OG 3.17Å; Y58-S89 WeakPolarHBondContact CE1-OG 3.32Å; S89-R91 PolarHBondContact O-N 3.48Å
90	Q	84.3	Confident	86.2	Confident	53 Å²	53	71.8 Å²	71.8	25%	0.248	37%	0.367	C	S	.	.			trans	-75.3	120.6	171.2	-64.4	-178	2.4	0	0	110.5	W88 R96	W88-Q90 PolarHBondContact O-N 3.02Å; Q90-R96 HydrophobicContact CB-CG 3.85Å; Q90-R96 VanDerWaalsContact O-CD 3.29Å; Q90-R96 WeakPolarHBondContact O-CD 3.4Å; Q90-R96 VanDerWaalsContact O-CZ 3.27Å; Q90-R96 PolarHBondContact O-NE 3.46Å; Q90-R96 PolarHBondContact O-NH1 2.86Å
91	R	82.2	Confident	86.2	Confident	201 Å²	201	67.5 Å²	67.5	76%	0.758	35%	0.346	S	S	*	.			trans	-84.8	-30.3	176.5	-70.5	-176.9	-179.7	-102.2	0.2	113.8	S89 R96	S89-R91 PolarHBondContact O-N 3.48Å; R91-R96 VanDerWaalsContact O-CZ 3.26Å; R91-R96 PolarHBondContact O-NH2 2.95Å
92	D	80	Confident	86.5	Confident	69 Å²	69	65.8 Å²	65.8	37%	0.369	32%	0.321	S	S	.	.			trans	-69.7	124.9	-178.2	-177.2	2.6	0	0	0	111.9	S94 L95 R96	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 VanDerWaalsContact CG-OG 3.29Å; D92-S94 PolarHBondContact O-N 3.17Å; D92-S94 WeakPolarHBondContact OD1-CB 3.41Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 3.4Å; D92-S94 WeakPolarHBondContact OD2-CB 3.45Å; D92-S94 PolarHBondContact OD2-OG 2.95Å; D92-L95 HydrophobicContact CB-CD1 4.31Å; D92-L95 HydrophobicContact CB-CG 4.33Å; D92-R96 VanDerWaalsContact C-NH2 3.35Å; D92-R96 PolarHBondContact O-NE 2.88Å; D92-R96 PolarHBondContact O-NH2 3.31Å
93	P	80.5	Confident	86.7	Confident	63 Å²	63	60.9 Å²	60.9	41%	0.409	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-30.3	168.9	-22	34	0	0	0	114.5	R96 K97	P93-R96 VanDerWaalsContact N-NH2 3.19Å; P93-K97 HydrophobicContact CB-CD 4.4Å; P93-K97 VanDerWaalsContact O-CB 3.23Å; P93-K97 WeakPolarHBondContact O-CB 3.37Å; P93-K97 WeakPolarHBondContact O-CG 3.5Å; P93-K97 PolarHBondContact O-N 3.44Å
94	S	81	Confident	86.9	Confident	66 Å²	66	61 Å²	61	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-55.6	-174.1	92.3	0	0	0	0	111.4	D92 R96 K97 S98	D92-S94 VanDerWaalsContact C-N 3.26Å; D92-S94 VanDerWaalsContact CG-OG 3.29Å; D92-S94 PolarHBondContact O-N 3.17Å; D92-S94 WeakPolarHBondContact OD1-CB 3.41Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 3.4Å; D92-S94 WeakPolarHBondContact OD2-CB 3.45Å; D92-S94 PolarHBondContact OD2-OG 2.95Å; S94-R96 VanDerWaalsContact C-N 3.3Å; S94-R96 PolarHBondContact O-N 2.97Å; S94-K97 CarbonylContact O-C 3.58Å; S94-K97 PolarHBondContact O-N 3Å; S94-S98 WeakPolarHBondContact O-CB 3.36Å; S94-S98 PolarHBondContact O-N 3.44Å
95	L	76.1	Confident	86.9	Confident	99 Å²	99	61 Å²	61	52%	0.518	30%	0.3	S	S	.	.	H	α-helix	trans	-57.2	-42.4	178.6	-59.8	177.5	0	0	0	111.7	D92 K97	D92-L95 HydrophobicContact CB-CD1 4.31Å; D92-L95 HydrophobicContact CB-CG 4.33Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.31Å
96	R	76.9	Confident	86.9	Confident	114 Å²	114	64.8 Å²	64.8	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-71.7	-22	178.5	-66.3	176.9	-64.8	-172.7	11.8	114.3	Q90 R91 D92 P93 S94	Q90-R96 HydrophobicContact CB-CG 3.85Å; Q90-R96 VanDerWaalsContact O-CD 3.29Å; Q90-R96 WeakPolarHBondContact O-CD 3.4Å; Q90-R96 VanDerWaalsContact O-CZ 3.27Å; Q90-R96 PolarHBondContact O-NE 3.46Å; Q90-R96 PolarHBondContact O-NH1 2.86Å; R91-R96 VanDerWaalsContact O-CZ 3.26Å; R91-R96 PolarHBondContact O-NH2 2.95Å; D92-R96 VanDerWaalsContact C-NH2 3.35Å; D92-R96 PolarHBondContact O-NE 2.88Å; D92-R96 PolarHBondContact O-NH2 3.31Å; P93-R96 VanDerWaalsContact N-NH2 3.19Å; S94-R96 VanDerWaalsContact C-N 3.3Å; S94-R96 PolarHBondContact O-N 2.97Å
97	K	77.4	Confident	86.8	Confident	175 Å²	175	68.2 Å²	68.2	76%	0.761	34%	0.335	S	S	*	.	H	α-helix	trans	-103.8	-12.4	-179.5	-70.1	174.6	-179.6	177.9	0	113.6	P93 S94 L95 G99	P93-K97 HydrophobicContact CB-CD 4.4Å; P93-K97 VanDerWaalsContact O-CB 3.23Å; P93-K97 WeakPolarHBondContact O-CB 3.37Å; P93-K97 WeakPolarHBondContact O-CG 3.5Å; P93-K97 PolarHBondContact O-N 3.44Å; S94-K97 CarbonylContact O-C 3.58Å; S94-K97 PolarHBondContact O-N 3Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.31Å; K97-G99 VanDerWaalsContact C-N 3.26Å; K97-G99 PolarHBondContact O-N 3.1Å
98	S	80.1	Confident	86.9	Confident	70 Å²	70	66.7 Å²	66.7	49%	0.49	33%	0.328	S	S	.	.			trans	-57.9	-32.5	-170.5	-172.1	0	0	0	0	114.2	S94 K100	S94-S98 WeakPolarHBondContact O-CB 3.36Å; S94-S98 PolarHBondContact O-N 3.44Å; S98-K100 PolarHBondContact O-N 3.47Å
99	G	80.2	Confident	86.9	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	33%	0.326	S	S	.	.			trans	74.3	-18.4	178.6	0	0	0	0	0	115	K97 N102	K97-G99 VanDerWaalsContact C-N 3.26Å; K97-G99 PolarHBondContact O-N 3.1Å; G99-N102 VanDerWaalsContact O-CB 3.27Å; G99-N102 WeakPolarHBondContact O-CB 3.1Å; G99-N102 PolarHBondContact O-N 2.82Å; G99-N102 VanDerWaalsContact O-N 3.11Å; G99-N102 PolarHBondContact O-ND2 2.8Å
100	K	85.5	Confident	87	Confident	134 Å²	134	70.8 Å²	70.8	58%	0.583	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	145.4	167.7	-65.1	-170.2	174.8	-169	0	111.1	S98 N102 H147 E151	S98-K100 PolarHBondContact O-N 3.47Å; K100-N102 PolarHBondContact O-N 2.85Å; K100-N102 PolarHBondContact O-ND2 3.47Å; K100-H147 PolarHBondContact O-NE2 2.99Å; K100-E151 WeakPolarHBondContact CG-OE2 3.36Å
101	G	91.8	Very high	87.5	Confident	3 Å²	3	71 Å²	71	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-3.6	-177	0	0	0	0	0	116.1	F148	G101-F148 PolarHBondContact O-N 2.72Å
102	N	94.6	Very high	87.9	Confident	32 Å²	32	61.7 Å²	61.7	17%	0.171	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	179	-68.2	-105	0	0	0	110.8	G99 K100 V146 H147 F176	G99-N102 VanDerWaalsContact O-CB 3.27Å; G99-N102 WeakPolarHBondContact O-CB 3.1Å; G99-N102 PolarHBondContact O-N 2.82Å; G99-N102 VanDerWaalsContact O-N 3.11Å; G99-N102 PolarHBondContact O-ND2 2.8Å; K100-N102 PolarHBondContact O-N 2.85Å; K100-N102 PolarHBondContact O-ND2 3.47Å; N102-V146 WeakPolarHBondContact CA-O 3.49Å; N102-H147 PolarHBondContact ND2-CD2 2.95Å; N102-H147 PolarHBondContact ND2-CE1 3.41Å; N102-H147 PolarHBondContact ND2-NE2 3.34Å; N102-H147 WeakPolarHBondContact OD1-CB 3.42Å; N102-H147 VanDerWaalsContact OD1-CG 3.28Å; N102-F176 HydrophobicContact CB-CB 3.61Å; N102-F176 HydrophobicContact CB-CD1 4.31Å; N102-F176 HydrophobicContact CB-CG 4.12Å; N102-F176 VanDerWaalsContact O-CB 3.24Å; N102-F176 WeakPolarHBondContact O-CB 3.45Å; N102-F176 PolarHBondContact O-N 2.93Å
103	I	95.9	Very high	88.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.4	170.9	64	167.5	0	0	0	111.1	I105 F121 F145 V146 F148 A154 A157 I158 V173 G174	I103-I105 HydrophobicContact CD1-CD1 3.98Å; I103-I105 HydrophobicContact CD1-CG1 4.02Å; I103-I105 HydrophobicContact CG1-CD1 4.42Å; I103-I105 HydrophobicContact CG1-CG1 4.32Å; I103-F121 HydrophobicContact CD1-CD1 3.63Å; I103-F121 HydrophobicContact CD1-CE1 3.46Å; I103-F121 VanDerWaalsContact CD1-CE1 3.46Å; I103-F121 HydrophobicContact CD1-CZ 4.37Å; I103-F145 VanDerWaalsContact O-CA 3.32Å; I103-F145 WeakPolarHBondContact O-CA 3.47Å; I103-V146 HydrophobicContact CD1-CB 4.06Å; I103-V146 HydrophobicContact CG1-CB 3.75Å; I103-V146 WeakPolarHBondContact CG1-O 3.27Å; I103-V146 PolarHBondContact N-O 3.43Å; I103-V146 PolarHBondContact O-N 2.82Å; I103-V146 VanDerWaalsContact O-N 3.14Å; I103-F148 HydrophobicContact CD1-CE2 3.89Å; I103-F148 HydrophobicContact CG1-CE2 4.31Å; I103-A154 HydrophobicContact CG2-CB 3.6Å; I103-A157 HydrophobicContact CD1-CB 4.27Å; I103-I158 HydrophobicContact CG2-CD1 3.87Å; I103-I158 HydrophobicContact CG2-CG1 3.9Å; I103-V173 HydrophobicContact CB-CG1 4.38Å; I103-V173 HydrophobicContact CD1-CG1 3.78Å; I103-G174 CarbonylContact C-O 3.57Å; I103-G174 WeakPolarHBondContact CA-O 3.24Å
104	F	95.4	Very high	89	Confident	39 Å²	39	63 Å²	63	17%	0.171	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	171.7	167.1	-118.1	0	0	0	109.1	K106 Y143 F145 Y172 G174	F104-K106 HydrophobicContact CE1-CB 3.89Å; F104-K106 HydrophobicContact CE1-CD 4.16Å; F104-K106 HydrophobicContact CE1-CG 4.35Å; F104-K106 HydrophobicContact CE2-CB 4.41Å; F104-K106 HydrophobicContact CZ-CB 3.74Å; F104-K106 HydrophobicContact CZ-CD 4.13Å; F104-K106 HydrophobicContact CZ-CG 3.99Å; F104-Y143 AromaticContact CE2-CD2 3.72Å; F104-Y143 HydrophobicContact CE2-CD2 3.72Å; F104-Y143 HydrophobicContact CE2-CG 4.1Å; F104-F145 HydrophobicContact CB-CD1 4.2Å; F104-F145 HydrophobicContact CB-CE1 4.27Å; F104-F145 AromaticContact CD2-CD1 3.89Å; F104-F145 HydrophobicContact CD2-CD1 3.89Å; F104-F145 AromaticContact CD2-CE1 3.43Å; F104-F145 HydrophobicContact CD2-CE1 3.43Å; F104-F145 VanDerWaalsContact CD2-CE1 3.43Å; F104-F145 HydrophobicContact CD2-CZ 4.21Å; F104-F145 HydrophobicContact CE2-CE1 4.17Å; F104-F145 HydrophobicContact CG-CE1 4.22Å; F104-Y172 HydrophobicContact CD1-CE1 4.3Å; F104-G174 PolarHBondContact N-O 3.08Å; F104-G174 PolarHBondContact O-N 3.04Å; F104-G174 VanDerWaalsContact O-N 3.09Å
105	I	95.5	Very high	89.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.3	-177.3	-51.8	161.9	0	0	0	108.3	I103 L108 L117 F121 Y143 G144 V146 Y172 V173	I103-I105 HydrophobicContact CD1-CD1 3.98Å; I103-I105 HydrophobicContact CD1-CG1 4.02Å; I103-I105 HydrophobicContact CG1-CD1 4.42Å; I103-I105 HydrophobicContact CG1-CG1 4.32Å; I105-L108 HydrophobicContact CG2-CD1 4.19Å; I105-L108 HydrophobicContact CG2-CD2 3.65Å; I105-L108 HydrophobicContact CG2-CG 3.87Å; I105-L117 HydrophobicContact CD1-CD1 4.08Å; I105-L117 HydrophobicContact CD1-CD2 4.4Å; I105-L117 HydrophobicContact CD1-CG 4.47Å; I105-F121 HydrophobicContact CD1-CD1 4.41Å; I105-F121 HydrophobicContact CD1-CD2 4.04Å; I105-F121 HydrophobicContact CD1-CE1 3.98Å; I105-F121 HydrophobicContact CD1-CE2 3.57Å; I105-F121 HydrophobicContact CD1-CG 4.44Å; I105-F121 HydrophobicContact CD1-CZ 3.52Å; I105-F121 HydrophobicContact CG1-CZ 4.08Å; I105-Y143 CarbonylContact O-C 3.47Å; I105-Y143 WeakPolarHBondContact O-CA 3.49Å; I105-Y143 VanDerWaalsContact O-CB 3.3Å; I105-Y143 WeakPolarHBondContact O-CB 3.26Å; I105-G144 PolarHBondContact N-O 2.85Å; I105-G144 PolarHBondContact O-N 2.98Å; I105-V146 HydrophobicContact CD1-CB 4.36Å; I105-V146 HydrophobicContact CD1-CG2 3.7Å; I105-Y172 CarbonylContact C-O 3.53Å; I105-Y172 WeakPolarHBondContact CA-O 3.23Å; I105-V173 HydrophobicContact CG1-CG1 4.27Å; I105-V173 HydrophobicContact CG1-CG2 4.45Å; I105-V173 HydrophobicContact CG2-CG2 4.27Å
106	K	94.5	Very high	90.2	Very high	116 Å²	116	63.2 Å²	63.2	50%	0.504	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.4	-171.5	-172.8	-163.1	167	-151.4	0	110.9	F104 Y172	F104-K106 HydrophobicContact CE1-CB 3.89Å; F104-K106 HydrophobicContact CE1-CD 4.16Å; F104-K106 HydrophobicContact CE1-CG 4.35Å; F104-K106 HydrophobicContact CE2-CB 4.41Å; F104-K106 HydrophobicContact CZ-CB 3.74Å; F104-K106 HydrophobicContact CZ-CD 4.13Å; F104-K106 HydrophobicContact CZ-CG 3.99Å; K106-Y172 HydrophobicContact CB-CD1 4.23Å; K106-Y172 PolarHBondContact N-O 3.23Å; K106-Y172 PolarHBondContact O-N 3.07Å
107	N	93.8	Very high	90.9	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	29%	0.287	S	S	.	.	S	Bend	trans	66.3	26.9	-173	-159.6	46.6	0	0	0	112.9	G142 R169 V170	N107-G142 PolarHBondContact N-O 2.93Å; N107-R169 WeakPolarHBondContact O-CB 3.46Å; N107-R169 VanDerWaalsContact O-CD 3.32Å; N107-R169 WeakPolarHBondContact O-CD 3.16Å; N107-V170 PolarHBondContact ND2-O 3Å
108	L	94	Very high	91.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.261	C	S	.	.			trans	-57.9	143	163.3	-66.6	173.3	0	0	0	109.1	I105 I112 L117 I132 G142 V171	I105-L108 HydrophobicContact CG2-CD1 4.19Å; I105-L108 HydrophobicContact CG2-CD2 3.65Å; I105-L108 HydrophobicContact CG2-CG 3.87Å; L108-I112 HydrophobicContact CB-CD1 4.28Å; L108-I112 HydrophobicContact CD2-CD1 4.03Å; L108-L117 HydrophobicContact CD1-CD1 4.2Å; L108-L117 HydrophobicContact CD1-CD2 3.8Å; L108-L117 HydrophobicContact CD2-CD1 3.82Å; L108-I132 HydrophobicContact CD1-CG1 4.44Å; L108-G142 PolarHBondContact N-O 2.79Å; L108-G142 VanDerWaalsContact N-O 3.12Å; L108-G142 VanDerWaalsContact O-CA 3.31Å; L108-G142 WeakPolarHBondContact O-CA 3.06Å; L108-V171 HydrophobicContact CD2-CG1 4.14Å
109	D	94	Very high	92.3	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	26%	0.256	C	S	.	.			trans	-65.6	149.2	167.3	-170	-92.8	0	0	0	110.8	S111 I112 R167 R169	D109-S111 PolarHBondContact O-N 2.87Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.18Å; D109-S111 PolarHBondContact OD1-N 3.29Å; D109-S111 PolarHBondContact OD1-OG 3.04Å; D109-I112 HydrophobicContact CB-CD1 4.2Å; D109-I112 HydrophobicContact CB-CG1 4.21Å; D109-I112 PolarHBondContact O-N 3.39Å; D109-R167 HydrophobicContact CB-CB 4.08Å; D109-R169 HydrophobicContact CB-CG 4.4Å; D109-R169 IonicContact OD2-CZ 3.14Å; D109-R169 IonicContact OD2-NE 2.73Å; D109-R169 PolarHBondContact OD2-NE 2.94Å; D109-R169 IonicContact OD2-NH2 2.71Å; D109-R169 PolarHBondContact OD2-NH2 2.82Å
110	K	93.7	Very high	92.8	Very high	122 Å²	122	53.5 Å²	53.5	53%	0.53	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.1	-177.8	-71.9	-166.2	169.6	-164.9	0	113.7	I112 S140	K110-I112 VanDerWaalsContact C-N 3.32Å; K110-S140 VanDerWaalsContact CE-O 3.3Å; K110-S140 WeakPolarHBondContact CE-O 3.33Å
111	S	93.5	Very high	93.2	Very high	58 Å²	58	47.1 Å²	47.1	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.9	176.4	65.3	0	0	0	0	113.9	D109 R167	D109-S111 PolarHBondContact O-N 2.87Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.18Å; D109-S111 PolarHBondContact OD1-N 3.29Å; D109-S111 PolarHBondContact OD1-OG 3.04Å; S111-R167 VanDerWaalsContact C-NH1 3.31Å; S111-R167 VanDerWaalsContact CB-NH1 3.28Å; S111-R167 PolarHBondContact O-NH1 3.36Å; S111-R167 PolarHBondContact OG-NH1 3.13Å
112	I	92.1	Very high	93.3	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	25%	0.246	C	C	.	.			trans	-76.3	128.7	176.4	-61.7	174.9	0	0	0	109.4	L108 D109 K110 E116 L117 I132 I166 R167	L108-I112 HydrophobicContact CB-CD1 4.28Å; L108-I112 HydrophobicContact CD2-CD1 4.03Å; D109-I112 HydrophobicContact CB-CD1 4.2Å; D109-I112 HydrophobicContact CB-CG1 4.21Å; D109-I112 PolarHBondContact O-N 3.39Å; K110-I112 VanDerWaalsContact C-N 3.32Å; I112-E116 VanDerWaalsContact CA-OE2 3.3Å; I112-E116 WeakPolarHBondContact CA-OE2 3.44Å; I112-E116 HydrophobicContact CG2-CG 4.43Å; I112-E116 WeakPolarHBondContact CG2-OE2 3.34Å; I112-L117 HydrophobicContact CG2-CB 4.2Å; I112-I132 HydrophobicContact CG2-CD1 4.09Å; I112-I132 WeakPolarHBondContact O-CD1 3.31Å; I112-I166 HydrophobicContact CD1-CG2 3.73Å; I112-R167 HydrophobicContact CG1-CG 4.38Å
113	E	90.8	Very high	93.3	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.612	28%	0.275	S	S	*	.			trans	-99.9	163.8	-179.9	-63.7	-169.8	168.9	0	0	112.4	K115 E116 L117	E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-E116 PolarHBondContact O-N 3.31Å; E113-L117 PolarHBondContact O-N 3.08Å
114	Q	91.5	Very high	93.2	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-38.3	-178.2	-70.9	85.9	-32.9	0	0	112.5	Y76 P83 Y118 I132	Y76-Q114 HydrophobicContact CD1-CB 3.47Å; Y76-Q114 VanDerWaalsContact CD1-CB 3.47Å; Y76-Q114 HydrophobicContact CD1-CG 4.17Å; Y76-Q114 HydrophobicContact CE1-CB 4.03Å; Y76-Q114 HydrophobicContact CG-CB 3.82Å; P83-Q114 VanDerWaalsContact CG-NE2 3.26Å; Q114-Y118 WeakPolarHBondContact O-CB 3.21Å; Q114-Y118 PolarHBondContact O-N 3.01Å; Q114-I132 HydrophobicContact CG-CB 4.36Å; Q114-I132 HydrophobicContact CG-CG1 4.46Å
115	K	90.5	Very high	93.1	Very high	116 Å²	116	56.5 Å²	56.5	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-49.9	179	-165.5	-164.7	179.2	-54.2	0	111.5	Y76 E113 L117 Y118 D119	Y76-K115 HydrophobicContact CD2-CB 4.35Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 3.47Å; K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 3.27Å; K115-Y118 CarbonylContact O-C 3.46Å; K115-Y118 WeakPolarHBondContact O-CA 3.3Å; K115-Y118 WeakPolarHBondContact O-CB 3.4Å; K115-Y118 PolarHBondContact O-N 2.92Å; K115-D119 IonicContact NZ-OD1 4Å; K115-D119 PolarHBondContact NZ-OD1 3.29Å; K115-D119 IonicContact NZ-OD2 3.15Å; K115-D119 PolarHBondContact NZ-OD2 2.91Å; K115-D119 WeakPolarHBondContact O-CB 3.05Å; K115-D119 PolarHBondContact O-N 3.01Å
116	E	91.9	Very high	93	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-57.6	-41.3	176.6	179.2	-176.2	-149	0	0	112	I112 E113 T120 R167	I112-E116 VanDerWaalsContact CA-OE2 3.3Å; I112-E116 WeakPolarHBondContact CA-OE2 3.44Å; I112-E116 HydrophobicContact CG2-CG 4.43Å; I112-E116 WeakPolarHBondContact CG2-OE2 3.34Å; E113-E116 PolarHBondContact O-N 3.31Å; E116-T120 VanDerWaalsContact O-CB 3.31Å; E116-T120 WeakPolarHBondContact O-CB 3.43Å; E116-T120 PolarHBondContact O-N 2.9Å; E116-T120 PolarHBondContact O-OG1 3.03Å; E116-R167 IonicContact OE1-CZ 3.19Å; E116-R167 IonicContact OE1-NE 2.91Å; E116-R167 PolarHBondContact OE1-NE 2.85Å; E116-R167 IonicContact OE1-NH2 2.74Å; E116-R167 PolarHBondContact OE1-NH2 3.36Å; E116-R167 IonicContact OE2-CZ 3.21Å; E116-R167 IonicContact OE2-NE 3.43Å; E116-R167 PolarHBondContact OE2-NE 3.28Å; E116-R167 IonicContact OE2-NH1 3.99Å; E116-R167 IonicContact OE2-NH2 2.84Å; E116-R167 PolarHBondContact OE2-NH2 2.93Å
117	L	92.7	Very high	92.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-36.5	176.4	-170.3	66.5	0	0	0	112.2	I105 L108 I112 E113 K115 F121 I132	I105-L117 HydrophobicContact CD1-CD1 4.08Å; I105-L117 HydrophobicContact CD1-CD2 4.4Å; I105-L117 HydrophobicContact CD1-CG 4.47Å; L108-L117 HydrophobicContact CD1-CD1 4.2Å; L108-L117 HydrophobicContact CD1-CD2 3.8Å; L108-L117 HydrophobicContact CD2-CD1 3.82Å; I112-L117 HydrophobicContact CG2-CB 4.2Å; E113-L117 PolarHBondContact O-N 3.08Å; K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 3.27Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.74Å; L117-F121 HydrophobicContact CG-CD2 4.43Å; L117-F121 WeakPolarHBondContact O-CD2 3.22Å; L117-F121 PolarHBondContact O-N 3.4Å; L117-I132 HydrophobicContact CB-CD1 4.28Å; L117-I132 HydrophobicContact CD2-CD1 4.05Å; L117-I132 HydrophobicContact CD2-CG1 3.56Å
118	Y	93.4	Very high	92.8	Very high	58 Å²	58	55.2 Å²	55.2	23%	0.227	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-52	173	176.8	-88.3	0	0	0	111.1	Y76 Q114 K115 T120 F121 S122 I127 C130	Y76-Y118 HydrophobicContact CE2-CD1 4.4Å; Y76-Y118 AromaticContact CE2-CD2 3.89Å; Y76-Y118 HydrophobicContact CE2-CD2 3.89Å; Y76-Y118 AromaticContact CE2-CG 3.77Å; Y76-Y118 HydrophobicContact CE2-CG 3.77Å; Y76-Y118 VanDerWaalsContact OH-CD2 3.29Å; Y76-Y118 WeakPolarHBondContact OH-CD2 3.36Å; Q114-Y118 WeakPolarHBondContact O-CB 3.21Å; Q114-Y118 PolarHBondContact O-N 3.01Å; K115-Y118 CarbonylContact O-C 3.46Å; K115-Y118 WeakPolarHBondContact O-CA 3.3Å; K115-Y118 WeakPolarHBondContact O-CB 3.4Å; K115-Y118 PolarHBondContact O-N 2.92Å; Y118-T120 VanDerWaalsContact C-N 3.34Å; Y118-T120 PolarHBondContact O-N 3.42Å; Y118-F121 PolarHBondContact O-N 3.1Å; Y118-S122 WeakPolarHBondContact O-CB 3.28Å; Y118-S122 PolarHBondContact O-N 2.84Å; Y118-I127 HydrophobicContact CD2-CB 4.02Å; Y118-I127 HydrophobicContact CD2-CD1 3.96Å; Y118-I127 HydrophobicContact CD2-CG2 3.78Å; Y118-I127 HydrophobicContact CE2-CB 3.62Å; Y118-I127 HydrophobicContact CE2-CD1 4.24Å; Y118-I127 HydrophobicContact CE2-CG1 4.49Å; Y118-I127 HydrophobicContact CE2-CG2 3.71Å; Y118-I127 HydrophobicContact CG-CD1 4.44Å; Y118-C130 HydrophobicContact CD2-CB 3.98Å
119	D	92.1	Very high	92.7	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-55.2	-49.1	179.6	-62.9	-19.5	0	0	0	110.3	K115 F121 S122	K115-D119 IonicContact NZ-OD1 4Å; K115-D119 PolarHBondContact NZ-OD1 3.29Å; K115-D119 IonicContact NZ-OD2 3.15Å; K115-D119 PolarHBondContact NZ-OD2 2.91Å; K115-D119 WeakPolarHBondContact O-CB 3.05Å; K115-D119 PolarHBondContact O-N 3.01Å; D119-F121 VanDerWaalsContact C-N 3.35Å; D119-F121 PolarHBondContact O-N 3.37Å; D119-S122 PolarHBondContact O-N 2.89Å; D119-S122 PolarHBondContact O-OG 3.11Å
120	T	91.6	Very high	92.7	Very high	53 Å²	53	54.3 Å²	54.3	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-55.7	-44.5	177.7	-59.2	0	0	0	0	112.8	E116 Y118 I166	E116-T120 VanDerWaalsContact O-CB 3.31Å; E116-T120 WeakPolarHBondContact O-CB 3.43Å; E116-T120 PolarHBondContact O-N 2.9Å; E116-T120 PolarHBondContact O-OG1 3.03Å; Y118-T120 VanDerWaalsContact C-N 3.34Å; Y118-T120 PolarHBondContact O-N 3.42Å; T120-I166 HydrophobicContact CG2-CD1 4.43Å
121	F	94.2	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-88.9	-17	-175.8	-81.2	-94.3	0	0	0	113.7	I103 I105 L117 Y118 D119 F123 F124 I127 V146 F148 A157 I161 V173	I103-F121 HydrophobicContact CD1-CD1 3.63Å; I103-F121 HydrophobicContact CD1-CE1 3.46Å; I103-F121 VanDerWaalsContact CD1-CE1 3.46Å; I103-F121 HydrophobicContact CD1-CZ 4.37Å; I105-F121 HydrophobicContact CD1-CD1 4.41Å; I105-F121 HydrophobicContact CD1-CD2 4.04Å; I105-F121 HydrophobicContact CD1-CE1 3.98Å; I105-F121 HydrophobicContact CD1-CE2 3.57Å; I105-F121 HydrophobicContact CD1-CG 4.44Å; I105-F121 HydrophobicContact CD1-CZ 3.52Å; I105-F121 HydrophobicContact CG1-CZ 4.08Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.74Å; L117-F121 HydrophobicContact CG-CD2 4.43Å; L117-F121 WeakPolarHBondContact O-CD2 3.22Å; L117-F121 PolarHBondContact O-N 3.4Å; Y118-F121 PolarHBondContact O-N 3.1Å; D119-F121 VanDerWaalsContact C-N 3.35Å; D119-F121 PolarHBondContact O-N 3.37Å; F121-F123 PolarHBondContact O-N 2.85Å; F121-F123 VanDerWaalsContact O-N 3.16Å; F121-F124 HydrophobicContact CD1-CD2 4.25Å; F121-F124 WeakPolarHBondContact O-CD2 3.32Å; F121-F124 PolarHBondContact O-N 3.34Å; F121-F124 VanDerWaalsContact O-N 3.09Å; F121-I127 HydrophobicContact CB-CD1 3.82Å; F121-V146 HydrophobicContact CB-CG1 4.25Å; F121-V146 HydrophobicContact CB-CG2 4.33Å; F121-V146 HydrophobicContact CG-CG2 4.32Å; F121-F148 HydrophobicContact CB-CZ 4.04Å; F121-F148 HydrophobicContact CD1-CE2 4.38Å; F121-F148 HydrophobicContact CD1-CZ 4.12Å; F121-F148 VanDerWaalsContact O-CE1 3.3Å; F121-F148 WeakPolarHBondContact O-CE1 3.4Å; F121-F148 WeakPolarHBondContact O-CZ 3.47Å; F121-A157 HydrophobicContact CD1-CB 4.03Å; F121-A157 HydrophobicContact CE1-CB 4.14Å; F121-I161 HydrophobicContact CE1-CB 4.27Å; F121-I161 HydrophobicContact CE1-CG1 4.19Å; F121-I161 HydrophobicContact CE1-CG2 4.31Å; F121-I161 HydrophobicContact CE2-CG2 4.41Å; F121-I161 HydrophobicContact CZ-CB 4.15Å; F121-I161 HydrophobicContact CZ-CG1 4.3Å; F121-I161 HydrophobicContact CZ-CG2 3.69Å; F121-V173 HydrophobicContact CE1-CG1 4.35Å; F121-V173 HydrophobicContact CZ-CG2 4.17Å
122	S	94.3	Very high	92.7	Very high	53 Å²	53	48.5 Å²	48.5	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-57.5	-30.7	-180	70.8	0	0	0	0	113.2	Y118 D119 F124 G125	Y118-S122 WeakPolarHBondContact O-CB 3.28Å; Y118-S122 PolarHBondContact O-N 2.84Å; D119-S122 PolarHBondContact O-N 2.89Å; D119-S122 PolarHBondContact O-OG 3.11Å; S122-F124 PolarHBondContact O-N 3.38Å; S122-F124 VanDerWaalsContact O-N 3.16Å; S122-G125 CarbonylContact O-C 3.58Å; S122-G125 PolarHBondContact O-N 3.4Å
123	F	93.6	Very high	92.8	Very high	180 Å²	180	49.5 Å²	49.5	79%	0.789	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.6	177.2	-174.4	-98.8	0	0	0	113.8	F121	F121-F123 PolarHBondContact O-N 2.85Å; F121-F123 VanDerWaalsContact O-N 3.16Å
124	F	94.7	Very high	92.8	Very high	17 Å²	17	46 Å²	46	8%	0.075	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.2	178.9	-61.8	-77.3	0	0	0	113.6	F121 S122 F148 C153 R156 A157 K160 I161	F121-F124 HydrophobicContact CD1-CD2 4.25Å; F121-F124 WeakPolarHBondContact O-CD2 3.32Å; F121-F124 PolarHBondContact O-N 3.34Å; F121-F124 VanDerWaalsContact O-N 3.09Å; S122-F124 PolarHBondContact O-N 3.38Å; S122-F124 VanDerWaalsContact O-N 3.16Å; F124-F148 HydrophobicContact CB-CE1 3.86Å; F124-F148 HydrophobicContact CB-CZ 3.8Å; F124-C153 VanDerWaalsContact O-CB 3.26Å; F124-C153 WeakPolarHBondContact O-CB 3.47Å; F124-C153 PolarHBondContact O-SG 3.13Å; F124-R156 HydrophobicContact CD1-CB 4.34Å; F124-R156 PolarHBondContact O-NH2 3.11Å; F124-A157 HydrophobicContact CB-CB 4Å; F124-A157 HydrophobicContact CD1-CB 4.1Å; F124-A157 HydrophobicContact CD2-CB 3.84Å; F124-A157 HydrophobicContact CE2-CB 4.44Å; F124-A157 HydrophobicContact CG-CB 3.68Å; F124-K160 HydrophobicContact CE1-CB 3.88Å; F124-K160 HydrophobicContact CE1-CD 3.98Å; F124-K160 HydrophobicContact CE1-CG 4.45Å; F124-K160 HydrophobicContact CZ-CB 4.19Å; F124-I161 HydrophobicContact CE2-CD1 3.84Å; F124-I161 HydrophobicContact CE2-CG1 3.54Å; F124-I161 HydrophobicContact CZ-CD1 3.58Å; F124-I161 HydrophobicContact CZ-CG1 3.48Å; F124-I161 VanDerWaalsContact CZ-CG1 3.48Å
125	G	93.3	Very high	92.7	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	23%	0.23	C	C	.	.	S	Bend	trans	144.9	174.7	179.2	0	0	0	0	0	112.9	S122 I127 F148	S122-G125 CarbonylContact O-C 3.58Å; S122-G125 PolarHBondContact O-N 3.4Å; G125-I127 PolarHBondContact O-N 3.23Å; G125-F148 WeakPolarHBondContact O-CD1 3.45Å; G125-F148 WeakPolarHBondContact O-CE1 2.97Å
126	R	92.8	Very high	92.5	Very high	117 Å²	117	50.1 Å²	50.1	44%	0.442	25%	0.247	S	C	.	.			trans	-57.7	125.6	-177.4	-159.6	-169.9	-165.9	-160.9	8.6	111.7	F148 E149	R126-F148 WeakPolarHBondContact O-CA 3.4Å; R126-E149 HydrophobicContact CB-CB 4.21Å; R126-E149 VanDerWaalsContact CD-CD 3.49Å; R126-E149 VanDerWaalsContact CD-OE1 3.28Å; R126-E149 WeakPolarHBondContact CD-OE1 3.5Å; R126-E149 WeakPolarHBondContact CD-OE2 3.46Å; R126-E149 IonicContact CZ-OE1 3.82Å; R126-E149 IonicContact NE-OE1 3.24Å; R126-E149 IonicContact NH1-OE1 3.06Å; R126-E149 PolarHBondContact NH1-OE1 2.82Å; R126-E149 PolarHBondContact O-N 3.3Å
127	I	93.3	Very high	92.2	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.062	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.1	176.9	-68	171.9	0	0	0	109.1	Y118 F121 G125 S129 C130 V146 H147 F148	Y118-I127 HydrophobicContact CD2-CB 4.02Å; Y118-I127 HydrophobicContact CD2-CD1 3.96Å; Y118-I127 HydrophobicContact CD2-CG2 3.78Å; Y118-I127 HydrophobicContact CE2-CB 3.62Å; Y118-I127 HydrophobicContact CE2-CD1 4.24Å; Y118-I127 HydrophobicContact CE2-CG1 4.49Å; Y118-I127 HydrophobicContact CE2-CG2 3.71Å; Y118-I127 HydrophobicContact CG-CD1 4.44Å; F121-I127 HydrophobicContact CB-CD1 3.82Å; G125-I127 PolarHBondContact O-N 3.23Å; I127-S129 WeakPolarHBondContact CG2-O 3.35Å; I127-C130 HydrophobicContact CG2-CB 4.3Å; I127-V146 HydrophobicContact CD1-CG1 3.71Å; I127-V146 HydrophobicContact CG1-CG1 3.74Å; I127-V146 HydrophobicContact CG2-CG1 4.02Å; I127-H147 CarbonylContact C-O 3.59Å; I127-H147 WeakPolarHBondContact CA-O 3.41Å; I127-F148 HydrophobicContact CD1-CE1 4.28Å; I127-F148 HydrophobicContact CG1-CD1 3.9Å; I127-F148 HydrophobicContact CG1-CE1 3.67Å; I127-F148 HydrophobicContact CG1-CZ 4.35Å
128	L	91	Very high	91.8	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-24.6	170.9	-61.4	-178.6	0	0	0	112.5	M87 H147 E149	M87-L128 WeakPolarHBondContact CG-O 3.24Å; L128-H147 PolarHBondContact N-O 3.21Å; L128-E149 HydrophobicContact CD1-CB 4.37Å; L128-E149 HydrophobicContact CD2-CB 4.08Å; L128-E149 HydrophobicContact CD2-CG 4.25Å; L128-E149 HydrophobicContact CG-CB 4.01Å
129	S	91.2	Very high	91.6	Very high	10 Å²	10	58 Å²	58	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	134.2	174.3	-147.8	0	0	0	0	112.7	R85 M87 I127 V146 H147	R85-S129 WeakPolarHBondContact CD-OG 3.33Å; R85-S129 PolarHBondContact NH1-OG 3.42Å; M87-S129 PolarHBondContact SD-OG 3.32Å; I127-S129 WeakPolarHBondContact CG2-O 3.35Å; S129-V146 CarbonylContact O-C 3.53Å; S129-V146 WeakPolarHBondContact O-CA 3.36Å; S129-H147 PolarHBondContact N-O 2.77Å; S129-H147 PolarHBondContact O-N 3.12Å
130	C	93.8	Very high	91.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.7	164.7	179.4	0	0	0	0	109.7	Y76 R85 Y118 I127 V146	Y76-C130 WeakPolarHBondContact CE1-O 3.45Å; Y76-C130 WeakPolarHBondContact OH-CB 3.25Å; Y76-C130 PolarHBondContact OH-N 3.33Å; R85-C130 WeakPolarHBondContact CD-O 3.47Å; Y118-C130 HydrophobicContact CD2-CB 3.98Å; I127-C130 HydrophobicContact CG2-CB 4.3Å; C130-V146 HydrophobicContact CB-CG2 4.25Å
131	K	93.8	Very high	91.8	Very high	56 Å²	56	57.5 Å²	57.5	24%	0.243	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	119.7	176.5	179.5	169.6	-177.6	159.1	0	113.1	D19 G144 F145	D19-K131 WeakPolarHBondContact OD1-CE 3.49Å; D19-K131 IonicContact OD1-NZ 2.75Å; D19-K131 PolarHBondContact OD1-NZ 3.28Å; D19-K131 IonicContact OD2-NZ 2.66Å; D19-K131 PolarHBondContact OD2-NZ 3.31Å; K131-G144 CarbonylContact O-C 3.55Å; K131-G144 WeakPolarHBondContact O-CA 3.48Å; K131-F145 PolarHBondContact N-O 3.14Å; K131-F145 PolarHBondContact O-N 3.14Å
132	I	95	Very high	91.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.2	160.6	-61	-179.8	0	0	0	109	L108 I112 Q114 L117 M134 S140	L108-I132 HydrophobicContact CD1-CG1 4.44Å; I112-I132 HydrophobicContact CG2-CD1 4.09Å; I112-I132 WeakPolarHBondContact O-CD1 3.31Å; Q114-I132 HydrophobicContact CG-CB 4.36Å; Q114-I132 HydrophobicContact CG-CG1 4.46Å; L117-I132 HydrophobicContact CB-CD1 4.28Å; L117-I132 HydrophobicContact CD2-CD1 4.05Å; L117-I132 HydrophobicContact CD2-CG1 3.56Å; I132-M134 HydrophobicContact CB-CE 4.16Å; I132-M134 HydrophobicContact CG2-CE 3.89Å; I132-M134 HydrophobicContact CG2-SD 3.99Å; I132-S140 WeakPolarHBondContact CG2-OG 3.15Å
133	V	93.4	Very high	91.8	Very high	25 Å²	25	59 Å²	59	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.1	176.8	-175.2	0	0	0	0	110.7	K141 Y143 F145	V133-K141 HydrophobicContact CG1-CD 4.15Å; V133-K141 VanDerWaalsContact O-CB 3.32Å; V133-K141 WeakPolarHBondContact O-CB 3.41Å; V133-K141 WeakPolarHBondContact O-CG 3.32Å; V133-K141 PolarHBondContact O-N 3.39Å; V133-Y143 HydrophobicContact CB-CD2 4.16Å; V133-Y143 HydrophobicContact CB-CE1 4.4Å; V133-Y143 HydrophobicContact CB-CE2 3.65Å; V133-Y143 HydrophobicContact CG1-CE2 4.19Å; V133-Y143 HydrophobicContact CG2-CD2 3.95Å; V133-Y143 HydrophobicContact CG2-CE2 3.41Å; V133-Y143 VanDerWaalsContact CG2-CE2 3.41Å; V133-Y143 PolarHBondContact N-O 3.23Å; V133-F145 HydrophobicContact CG2-CD2 4.13Å; V133-F145 HydrophobicContact CG2-CE2 3.62Å
134	M	90.8	Very high	91.8	Very high	58 Å²	58	50.4 Å²	50.4	29%	0.286	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	164.6	175.4	-53.8	-49.9	-175.7	0	0	112.6	I132 Q139 S140 K141	I132-M134 HydrophobicContact CB-CE 4.16Å; I132-M134 HydrophobicContact CG2-CE 3.89Å; I132-M134 HydrophobicContact CG2-SD 3.99Å; M134-Q139 CarbonylContact C-O 3.56Å; M134-Q139 VanDerWaalsContact CA-O 3.24Å; M134-Q139 WeakPolarHBondContact CA-O 3.27Å; M134-S140 WeakPolarHBondContact SD-CA 3.29Å; M134-S140 PolarHBondContact SD-N 3.25Å; M134-S140 VanDerWaalsContact SD-N 3.44Å; M134-K141 WeakPolarHBondContact O-CE 3.44Å; M134-K141 PolarHBondContact O-NZ 2.78Å; M134-K141 VanDerWaalsContact O-NZ 3.15Å
135	D	89.5	Confident	91.9	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	26%	0.261	C	S	.	.			trans	-89.4	-175.1	165.9	77.1	2.9	0	0	0	112.8	N137 G138 Q139 K141	D135-N137 PolarHBondContact O-N 3.37Å; D135-N137 WeakPolarHBondContact OD1-CA 3.34Å; D135-N137 WeakPolarHBondContact OD1-CB 3.36Å; D135-N137 PolarHBondContact OD1-N 3.2Å; D135-N137 PolarHBondContact OD2-ND2 3.06Å; D135-G138 PolarHBondContact O-N 2.88Å; D135-G138 VanDerWaalsContact O-N 3.13Å; D135-G138 PolarHBondContact OD1-N 3.01Å; D135-Q139 PolarHBondContact N-O 3.22Å; D135-Q139 PolarHBondContact OD1-N 3.24Å; D135-K141 VanDerWaalsContact CB-CE 3.47Å; D135-K141 HydrophobicContact CB-CG 4.3Å
136	E	86.8	Confident	92	Very high	185 Å²	185	50.9 Å²	50.9	86%	0.864	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.6	-178.4	-66.5	171.3	-175.6	0	0	112.1
137	N	85.6	Confident	92	Very high	133 Å²	133	46.6 Å²	46.6	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.3	175.3	-48.5	-54.4	0	0	0	112.7	D135	D135-N137 PolarHBondContact O-N 3.37Å; D135-N137 WeakPolarHBondContact OD1-CA 3.34Å; D135-N137 WeakPolarHBondContact OD1-CB 3.36Å; D135-N137 PolarHBondContact OD1-N 3.2Å; D135-N137 PolarHBondContact OD2-ND2 3.06Å
138	G	84	Confident	92.1	Very high	38 Å²	38	46.1 Å²	46.1	39%	0.392	23%	0.234	S	C	.	.	S	Bend	trans	89.4	4.4	-175.7	0	0	0	0	0	115.3	D135	D135-G138 PolarHBondContact O-N 2.88Å; D135-G138 VanDerWaalsContact O-N 3.13Å; D135-G138 PolarHBondContact OD1-N 3.01Å
139	Q	89.3	Confident	92.1	Very high	110 Å²	110	49 Å²	49	51%	0.514	25%	0.246	S	C	.	.			trans	-83.4	145.9	179.6	-61.6	-171.8	6.6	0	0	112.5	M134 D135 K141	M134-Q139 CarbonylContact C-O 3.56Å; M134-Q139 VanDerWaalsContact CA-O 3.24Å; M134-Q139 WeakPolarHBondContact CA-O 3.27Å; D135-Q139 PolarHBondContact N-O 3.22Å; D135-Q139 PolarHBondContact OD1-N 3.24Å; Q139-K141 PolarHBondContact O-N 2.91Å
140	S	93.1	Very high	92.2	Very high	7 Å²	7	53.5 Å²	53.5	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.8	176	175.3	0	0	0	0	112.7	K110 I132 M134 G142	K110-S140 VanDerWaalsContact CE-O 3.3Å; K110-S140 WeakPolarHBondContact CE-O 3.33Å; I132-S140 WeakPolarHBondContact CG2-OG 3.15Å; M134-S140 WeakPolarHBondContact SD-CA 3.29Å; M134-S140 PolarHBondContact SD-N 3.25Å; M134-S140 VanDerWaalsContact SD-N 3.44Å; S140-G142 PolarHBondContact O-N 2.96Å; S140-G142 PolarHBondContact OG-N 2.87Å; S140-G142 VanDerWaalsContact OG-N 3.1Å
141	K	93.5	Very high	92.2	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	6.9	170.8	-64.4	-176.5	178.1	157.9	0	113.2	V133 M134 D135 Q139 Y143	V133-K141 HydrophobicContact CG1-CD 4.15Å; V133-K141 VanDerWaalsContact O-CB 3.32Å; V133-K141 WeakPolarHBondContact O-CB 3.41Å; V133-K141 WeakPolarHBondContact O-CG 3.32Å; V133-K141 PolarHBondContact O-N 3.39Å; M134-K141 WeakPolarHBondContact O-CE 3.44Å; M134-K141 PolarHBondContact O-NZ 2.78Å; M134-K141 VanDerWaalsContact O-NZ 3.15Å; D135-K141 VanDerWaalsContact CB-CE 3.47Å; D135-K141 HydrophobicContact CB-CG 4.3Å; Q139-K141 PolarHBondContact O-N 2.91Å; K141-Y143 VanDerWaalsContact C-N 3.31Å; K141-Y143 HydrophobicContact CB-CD1 3.76Å; K141-Y143 HydrophobicContact CB-CE1 3.6Å; K141-Y143 HydrophobicContact CD-CE1 4.11Å; K141-Y143 HydrophobicContact CG-CE1 4.49Å; K141-Y143 PolarHBondContact O-N 3.08Å
142	G	93.5	Very high	92.3	Very high	11 Å²	11	59.2 Å²	59.2	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	24.5	-179.7	0	0	0	0	0	114	N107 L108 S140	N107-G142 PolarHBondContact N-O 2.93Å; L108-G142 PolarHBondContact N-O 2.79Å; L108-G142 VanDerWaalsContact N-O 3.12Å; L108-G142 VanDerWaalsContact O-CA 3.31Å; L108-G142 WeakPolarHBondContact O-CA 3.06Å; S140-G142 PolarHBondContact O-N 2.96Å; S140-G142 PolarHBondContact OG-N 2.87Å; S140-G142 VanDerWaalsContact OG-N 3.1Å
143	Y	95.2	Very high	92.3	Very high	74 Å²	74	59.6 Å²	59.6	29%	0.29	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.4	173.9	76	-96.2	0	0	0	112.3	F104 I105 V133 K141 F145	F104-Y143 AromaticContact CE2-CD2 3.72Å; F104-Y143 HydrophobicContact CE2-CD2 3.72Å; F104-Y143 HydrophobicContact CE2-CG 4.1Å; I105-Y143 CarbonylContact O-C 3.47Å; I105-Y143 WeakPolarHBondContact O-CA 3.49Å; I105-Y143 VanDerWaalsContact O-CB 3.3Å; I105-Y143 WeakPolarHBondContact O-CB 3.26Å; V133-Y143 HydrophobicContact CB-CD2 4.16Å; V133-Y143 HydrophobicContact CB-CE1 4.4Å; V133-Y143 HydrophobicContact CB-CE2 3.65Å; V133-Y143 HydrophobicContact CG1-CE2 4.19Å; V133-Y143 HydrophobicContact CG2-CD2 3.95Å; V133-Y143 HydrophobicContact CG2-CE2 3.41Å; V133-Y143 VanDerWaalsContact CG2-CE2 3.41Å; V133-Y143 PolarHBondContact N-O 3.23Å; K141-Y143 VanDerWaalsContact C-N 3.31Å; K141-Y143 HydrophobicContact CB-CD1 3.76Å; K141-Y143 HydrophobicContact CB-CE1 3.6Å; K141-Y143 HydrophobicContact CD-CE1 4.11Å; K141-Y143 HydrophobicContact CG-CE1 4.49Å; K141-Y143 PolarHBondContact O-N 3.08Å; Y143-F145 HydrophobicContact CD2-CE2 4.43Å; Y143-F145 HydrophobicContact CD2-CZ 4.28Å; Y143-F145 HydrophobicContact CE2-CE2 4.12Å; Y143-F145 HydrophobicContact CE2-CZ 4.01Å
144	G	95.2	Very high	92.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-175.9	-178.6	0	0	0	0	0	113.2	I105 K131	I105-G144 PolarHBondContact N-O 2.85Å; I105-G144 PolarHBondContact O-N 2.98Å; K131-G144 CarbonylContact O-C 3.55Å; K131-G144 WeakPolarHBondContact O-CA 3.48Å
145	F	95.4	Very high	92.7	Very high	47 Å²	47	60.1 Å²	60.1	21%	0.206	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.5	179.6	-51.7	-75.7	0	0	0	109.7	I103 F104 K131 V133 Y143 F176	I103-F145 VanDerWaalsContact O-CA 3.32Å; I103-F145 WeakPolarHBondContact O-CA 3.47Å; F104-F145 HydrophobicContact CB-CD1 4.2Å; F104-F145 HydrophobicContact CB-CE1 4.27Å; F104-F145 AromaticContact CD2-CD1 3.89Å; F104-F145 HydrophobicContact CD2-CD1 3.89Å; F104-F145 AromaticContact CD2-CE1 3.43Å; F104-F145 HydrophobicContact CD2-CE1 3.43Å; F104-F145 VanDerWaalsContact CD2-CE1 3.43Å; F104-F145 HydrophobicContact CD2-CZ 4.21Å; F104-F145 HydrophobicContact CE2-CE1 4.17Å; F104-F145 HydrophobicContact CG-CE1 4.22Å; K131-F145 PolarHBondContact N-O 3.14Å; K131-F145 PolarHBondContact O-N 3.14Å; V133-F145 HydrophobicContact CG2-CD2 4.13Å; V133-F145 HydrophobicContact CG2-CE2 3.62Å; Y143-F145 HydrophobicContact CD2-CE2 4.43Å; Y143-F145 HydrophobicContact CD2-CZ 4.28Å; Y143-F145 HydrophobicContact CE2-CE2 4.12Å; Y143-F145 HydrophobicContact CE2-CZ 4.01Å; F145-F176 AromaticContact CD1-CD2 3.54Å; F145-F176 HydrophobicContact CD1-CD2 3.54Å; F145-F176 AromaticContact CD1-CE2 3.82Å; F145-F176 HydrophobicContact CD1-CE2 3.82Å; F145-F176 AromaticContact CE1-CD2 3.54Å; F145-F176 HydrophobicContact CE1-CD2 3.54Å; F145-F176 AromaticContact CE1-CE2 3.51Å; F145-F176 HydrophobicContact CE1-CE2 3.51Å; F145-F176 HydrophobicContact CZ-CE2 4.16Å
146	V	95.4	Very high	93	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.7	170.1	173.5	0	0	0	0	107.8	N102 I103 I105 F121 I127 S129 C130 F148	N102-V146 WeakPolarHBondContact CA-O 3.49Å; I103-V146 HydrophobicContact CD1-CB 4.06Å; I103-V146 HydrophobicContact CG1-CB 3.75Å; I103-V146 WeakPolarHBondContact CG1-O 3.27Å; I103-V146 PolarHBondContact N-O 3.43Å; I103-V146 PolarHBondContact O-N 2.82Å; I103-V146 VanDerWaalsContact O-N 3.14Å; I105-V146 HydrophobicContact CD1-CB 4.36Å; I105-V146 HydrophobicContact CD1-CG2 3.7Å; F121-V146 HydrophobicContact CB-CG1 4.25Å; F121-V146 HydrophobicContact CB-CG2 4.33Å; F121-V146 HydrophobicContact CG-CG2 4.32Å; I127-V146 HydrophobicContact CD1-CG1 3.71Å; I127-V146 HydrophobicContact CG1-CG1 3.74Å; I127-V146 HydrophobicContact CG2-CG1 4.02Å; S129-V146 CarbonylContact O-C 3.53Å; S129-V146 WeakPolarHBondContact O-CA 3.36Å; C130-V146 HydrophobicContact CB-CG2 4.25Å; V146-F148 HydrophobicContact CG1-CD2 4.11Å; V146-F148 HydrophobicContact CG1-CE1 4.45Å; V146-F148 HydrophobicContact CG1-CE2 3.77Å; V146-F148 HydrophobicContact CG1-CZ 3.96Å
147	H	94.1	Very high	93.5	Very high	27 Å²	27	54.9 Å²	54.9	13%	0.125	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.4	177.6	-173.3	179.2	0	0	0	108	K100 N102 I127 L128 S129	K100-H147 PolarHBondContact O-NE2 2.99Å; N102-H147 PolarHBondContact ND2-CD2 2.95Å; N102-H147 PolarHBondContact ND2-CE1 3.41Å; N102-H147 PolarHBondContact ND2-NE2 3.34Å; N102-H147 WeakPolarHBondContact OD1-CB 3.42Å; N102-H147 VanDerWaalsContact OD1-CG 3.28Å; I127-H147 CarbonylContact C-O 3.59Å; I127-H147 WeakPolarHBondContact CA-O 3.41Å; L128-H147 PolarHBondContact N-O 3.21Å; S129-H147 PolarHBondContact N-O 2.77Å; S129-H147 PolarHBondContact O-N 3.12Å
148	F	94.8	Very high	93.9	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	150.5	171.9	-70.8	-78.6	0	0	0	111.5	G101 I103 F121 F124 G125 R126 I127 V146 K150 C153 A154 A157	G101-F148 PolarHBondContact O-N 2.72Å; I103-F148 HydrophobicContact CD1-CE2 3.89Å; I103-F148 HydrophobicContact CG1-CE2 4.31Å; F121-F148 HydrophobicContact CB-CZ 4.04Å; F121-F148 HydrophobicContact CD1-CE2 4.38Å; F121-F148 HydrophobicContact CD1-CZ 4.12Å; F121-F148 VanDerWaalsContact O-CE1 3.3Å; F121-F148 WeakPolarHBondContact O-CE1 3.4Å; F121-F148 WeakPolarHBondContact O-CZ 3.47Å; F124-F148 HydrophobicContact CB-CE1 3.86Å; F124-F148 HydrophobicContact CB-CZ 3.8Å; G125-F148 WeakPolarHBondContact O-CD1 3.45Å; G125-F148 WeakPolarHBondContact O-CE1 2.97Å; R126-F148 WeakPolarHBondContact O-CA 3.4Å; I127-F148 HydrophobicContact CD1-CE1 4.28Å; I127-F148 HydrophobicContact CG1-CD1 3.9Å; I127-F148 HydrophobicContact CG1-CE1 3.67Å; I127-F148 HydrophobicContact CG1-CZ 4.35Å; V146-F148 HydrophobicContact CG1-CD2 4.11Å; V146-F148 HydrophobicContact CG1-CE1 4.45Å; V146-F148 HydrophobicContact CG1-CE2 3.77Å; V146-F148 HydrophobicContact CG1-CZ 3.96Å; F148-K150 WeakPolarHBondContact CB-O 3.39Å; F148-K150 PolarHBondContact O-N 2.66Å; F148-C153 HydrophobicContact CB-CB 3.87Å; F148-C153 HydrophobicContact CD1-CB 3.7Å; F148-C153 HydrophobicContact CD2-CB 4.5Å; F148-C153 HydrophobicContact CE1-CB 4.35Å; F148-C153 HydrophobicContact CG-CB 3.77Å; F148-A154 HydrophobicContact CD2-CB 3.88Å; F148-A157 HydrophobicContact CE2-CB 3.76Å; F148-A157 HydrophobicContact CZ-CB 3.96Å
149	E	90.9	Very high	94.5	Very high	96 Å²	96	55.2 Å²	55.2	45%	0.449	25%	0.252	S	S	.	.	S	Bend	trans	-64	-24.5	173.7	-173.6	171.6	-111.7	0	0	113.1	R126 L128	R126-E149 HydrophobicContact CB-CB 4.21Å; R126-E149 VanDerWaalsContact CD-CD 3.49Å; R126-E149 VanDerWaalsContact CD-OE1 3.28Å; R126-E149 WeakPolarHBondContact CD-OE1 3.5Å; R126-E149 WeakPolarHBondContact CD-OE2 3.46Å; R126-E149 IonicContact CZ-OE1 3.82Å; R126-E149 IonicContact NE-OE1 3.24Å; R126-E149 IonicContact NH1-OE1 3.06Å; R126-E149 PolarHBondContact NH1-OE1 2.82Å; R126-E149 PolarHBondContact O-N 3.3Å; L128-E149 HydrophobicContact CD1-CB 4.37Å; L128-E149 HydrophobicContact CD2-CB 4.08Å; L128-E149 HydrophobicContact CD2-CG 4.25Å; L128-E149 HydrophobicContact CG-CB 4.01Å
150	K	92.6	Very high	94.7	Very high	103 Å²	103	56 Å²	56	45%	0.448	25%	0.254	S	S	.	.	S	Bend	trans	-127.3	145.9	176.3	-61.9	-168.8	173	-163.3	0	112	F148 E152 C153 A154	F148-K150 WeakPolarHBondContact CB-O 3.39Å; F148-K150 PolarHBondContact O-N 2.66Å; K150-E152 HydrophobicContact CB-CB 4.39Å; K150-E152 VanDerWaalsContact CD-OE2 3.26Å; K150-E152 WeakPolarHBondContact CD-OE2 3.44Å; K150-E152 IonicContact NZ-OE1 2.65Å; K150-E152 IonicContact NZ-OE2 2.77Å; K150-E152 PolarHBondContact NZ-OE2 3.33Å; K150-C153 PolarHBondContact O-N 2.97Å; K150-A154 PolarHBondContact O-N 3.46Å
151	E	93.8	Very high	94.7	Very high	65 Å²	65	56.5 Å²	56.5	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-35.5	173.6	-168.4	159.9	-175	0	0	112.3	K100 C153 A154 E155 K175	K100-E151 WeakPolarHBondContact CG-OE2 3.36Å; E151-C153 PolarHBondContact O-N 2.89Å; E151-C153 VanDerWaalsContact O-N 3.17Å; E151-A154 WeakPolarHBondContact O-CA 3.18Å; E151-A154 WeakPolarHBondContact O-CB 3.41Å; E151-A154 PolarHBondContact O-N 2.81Å; E151-E155 HydrophobicContact CG-CG 4.43Å; E151-E155 PolarHBondContact O-N 3.19Å; E151-K175 IonicContact OE1-NZ 3.89Å; E151-K175 PolarHBondContact OE1-NZ 2.93Å
152	E	96.1	Very high	94.6	Very high	112 Å²	112	54 Å²	54	52%	0.523	25%	0.247	S	C	.	.	H	α-helix	trans	-47.6	-42.6	170.3	-61.8	156.3	-154.2	0	0	112.8	K150 R156	K150-E152 HydrophobicContact CB-CB 4.39Å; K150-E152 VanDerWaalsContact CD-OE2 3.26Å; K150-E152 WeakPolarHBondContact CD-OE2 3.44Å; K150-E152 IonicContact NZ-OE1 2.65Å; K150-E152 IonicContact NZ-OE2 2.77Å; K150-E152 PolarHBondContact NZ-OE2 3.33Å; E152-R156 VanDerWaalsContact O-CG 3.32Å; E152-R156 WeakPolarHBondContact O-CG 3.42Å; E152-R156 PolarHBondContact O-N 2.82Å; E152-R156 VanDerWaalsContact O-N 3.14Å
153	C	96.1	Very high	94.5	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-72.4	-38.3	-178.8	-59.5	0	0	0	0	111.5	F124 F148 K150 E151 A157	F124-C153 VanDerWaalsContact O-CB 3.26Å; F124-C153 WeakPolarHBondContact O-CB 3.47Å; F124-C153 PolarHBondContact O-SG 3.13Å; F148-C153 HydrophobicContact CB-CB 3.87Å; F148-C153 HydrophobicContact CD1-CB 3.7Å; F148-C153 HydrophobicContact CD2-CB 4.5Å; F148-C153 HydrophobicContact CE1-CB 4.35Å; F148-C153 HydrophobicContact CG-CB 3.77Å; K150-C153 PolarHBondContact O-N 2.97Å; E151-C153 PolarHBondContact O-N 2.89Å; E151-C153 VanDerWaalsContact O-N 3.17Å; C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.34Å; C153-A157 PolarHBondContact O-N 2.99Å
154	A	95.7	Very high	94.3	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-41.5	174.3	0	0	0	0	0	112.2	I103 F148 K150 E151 A157 I158	I103-A154 HydrophobicContact CG2-CB 3.6Å; F148-A154 HydrophobicContact CD2-CB 3.88Å; K150-A154 PolarHBondContact O-N 3.46Å; E151-A154 WeakPolarHBondContact O-CA 3.18Å; E151-A154 WeakPolarHBondContact O-CB 3.41Å; E151-A154 PolarHBondContact O-N 2.81Å; A154-A157 PolarHBondContact O-N 3.32Å; A154-I158 WeakPolarHBondContact O-CD1 3.42Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 2.85Å
155	E	96.2	Very high	94	Very high	92 Å²	92	64.7 Å²	64.7	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-45	179.7	-68.3	-175.9	144.9	0	0	112	E151 A157 I158 E159 K175	E151-E155 HydrophobicContact CG-CG 4.43Å; E151-E155 PolarHBondContact O-N 3.19Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 2.89Å; E155-I158 PolarHBondContact O-N 3.14Å; E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 2.74Å; E155-K175 WeakPolarHBondContact OE1-CE 3.32Å; E155-K175 IonicContact OE1-NZ 3.92Å; E155-K175 PolarHBondContact OE1-NZ 3.39Å
156	R	96.5	Very high	93.7	Very high	120 Å²	120	64 Å²	64	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-33.2	173	-66	-177.8	-50.4	176.2	9.3	113	F124 E152 K160	F124-R156 HydrophobicContact CD1-CB 4.34Å; F124-R156 PolarHBondContact O-NH2 3.11Å; E152-R156 VanDerWaalsContact O-CG 3.32Å; E152-R156 WeakPolarHBondContact O-CG 3.42Å; E152-R156 PolarHBondContact O-N 2.82Å; E152-R156 VanDerWaalsContact O-N 3.14Å; R156-K160 WeakPolarHBondContact O-CB 3.3Å; R156-K160 WeakPolarHBondContact O-CG 3.46Å; R156-K160 PolarHBondContact O-N 3.35Å; R156-K160 VanDerWaalsContact O-N 3.11Å
157	A	95.9	Very high	93.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-37.4	174.9	0	0	0	0	0	112.4	I103 F121 F124 F148 C153 A154 E155 I161	I103-A157 HydrophobicContact CD1-CB 4.27Å; F121-A157 HydrophobicContact CD1-CB 4.03Å; F121-A157 HydrophobicContact CE1-CB 4.14Å; F124-A157 HydrophobicContact CB-CB 4Å; F124-A157 HydrophobicContact CD1-CB 4.1Å; F124-A157 HydrophobicContact CD2-CB 3.84Å; F124-A157 HydrophobicContact CE2-CB 4.44Å; F124-A157 HydrophobicContact CG-CB 3.68Å; F148-A157 HydrophobicContact CE2-CB 3.76Å; F148-A157 HydrophobicContact CZ-CB 3.96Å; C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.34Å; C153-A157 PolarHBondContact O-N 2.99Å; A154-A157 PolarHBondContact O-N 3.32Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 2.89Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 PolarHBondContact O-N 3.16Å
158	I	95.4	Very high	93	Very high	31 Å²	31	75.7 Å²	75.7	16%	0.159	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-52.9	172	-68.3	160	0	0	0	109.9	I103 A154 E155 K160 N162 V173 K175	I103-I158 HydrophobicContact CG2-CD1 3.87Å; I103-I158 HydrophobicContact CG2-CG1 3.9Å; A154-I158 WeakPolarHBondContact O-CD1 3.42Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 2.85Å; E155-I158 PolarHBondContact O-N 3.14Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 2.75Å; I158-N162 WeakPolarHBondContact O-CB 3.45Å; I158-N162 PolarHBondContact O-N 2.94Å; I158-N162 VanDerWaalsContact O-N 3.08Å; I158-V173 HydrophobicContact CG1-CG1 3.93Å; I158-K175 HydrophobicContact CD1-CB 4.46Å; I158-K175 HydrophobicContact CD1-CG 3.64Å
159	E	95.3	Very high	92.8	Very high	146 Å²	146	80.2 Å²	80.2	68%	0.682	37%	0.374	S	S	*	.	H	α-helix	trans	-53.5	-45.3	-178.7	-178.9	-172	-144.6	0	0	112.1	E155	E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 2.74Å
160	K	93.5	Very high	92.8	Very high	127 Å²	127	79.1 Å²	79.1	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-90.6	-33.9	-171.9	-67.7	-177.7	171.5	-173.2	0	115	F124 R156 I158 M164	F124-K160 HydrophobicContact CE1-CB 3.88Å; F124-K160 HydrophobicContact CE1-CD 3.98Å; F124-K160 HydrophobicContact CE1-CG 4.45Å; F124-K160 HydrophobicContact CZ-CB 4.19Å; R156-K160 WeakPolarHBondContact O-CB 3.3Å; R156-K160 WeakPolarHBondContact O-CG 3.46Å; R156-K160 PolarHBondContact O-N 3.35Å; R156-K160 VanDerWaalsContact O-N 3.11Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 2.75Å; K160-M164 WeakPolarHBondContact O-CG 3.21Å
161	I	93	Very high	92.9	Very high	18 Å²	18	74.3 Å²	74.3	9%	0.092	35%	0.353	C	S	.	.	H	α-helix	trans	-98.6	-18	-175.4	-53.4	-59.7	0	0	0	113.1	F121 F124 A157 N163 M164 I166 V171 V173	F121-I161 HydrophobicContact CE1-CB 4.27Å; F121-I161 HydrophobicContact CE1-CG1 4.19Å; F121-I161 HydrophobicContact CE1-CG2 4.31Å; F121-I161 HydrophobicContact CE2-CG2 4.41Å; F121-I161 HydrophobicContact CZ-CB 4.15Å; F121-I161 HydrophobicContact CZ-CG1 4.3Å; F121-I161 HydrophobicContact CZ-CG2 3.69Å; F124-I161 HydrophobicContact CE2-CD1 3.84Å; F124-I161 HydrophobicContact CE2-CG1 3.54Å; F124-I161 HydrophobicContact CZ-CD1 3.58Å; F124-I161 HydrophobicContact CZ-CG1 3.48Å; F124-I161 VanDerWaalsContact CZ-CG1 3.48Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 PolarHBondContact O-N 3.16Å; I161-N163 PolarHBondContact O-N 3.19Å; I161-M164 HydrophobicContact CD1-SD 3.62Å; I161-M164 WeakPolarHBondContact O-CB 3.42Å; I161-M164 PolarHBondContact O-N 2.79Å; I161-I166 HydrophobicContact CG2-CD1 4.21Å; I161-V171 HydrophobicContact CG2-CG2 3.91Å; I161-V173 HydrophobicContact CB-CG2 4.1Å; I161-V173 HydrophobicContact CG2-CG2 3.87Å
162	N	92.2	Very high	93	Very high	50 Å²	50	76.6 Å²	76.6	27%	0.267	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	123.7	-179.1	-171.8	35.6	0	0	0	111.7	I158 M164 Y172 V173	I158-N162 WeakPolarHBondContact O-CB 3.45Å; I158-N162 PolarHBondContact O-N 2.94Å; I158-N162 VanDerWaalsContact O-N 3.08Å; N162-M164 VanDerWaalsContact C-N 3.3Å; N162-Y172 WeakPolarHBondContact OD1-CA 3.31Å; N162-V173 HydrophobicContact CB-CB 4.09Å; N162-V173 PolarHBondContact OD1-N 3.15Å; N162-V173 PolarHBondContact OD1-O 2.83Å
163	N	91.2	Very high	92.9	Very high	103 Å²	103	71.3 Å²	71.3	55%	0.551	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	12.2	-171.7	-40	-75.7	0	0	0	115.9	I161 V170 V171	I161-N163 PolarHBondContact O-N 3.19Å; N163-V170 HydrophobicContact CB-CG1 4Å; N163-V171 VanDerWaalsContact CA-O 3.27Å; N163-V171 WeakPolarHBondContact CA-O 3.36Å; N163-V171 PolarHBondContact N-O 2.94Å
164	M	91.4	Very high	92.9	Very high	94 Å²	94	71.2 Å²	71.2	46%	0.463	34%	0.335	S	S	.	.			trans	-69.6	158.2	165.1	-72.3	-162.6	77.6	0	0	111.7	K160 I161 N162 V170 V171	K160-M164 WeakPolarHBondContact O-CG 3.21Å; I161-M164 HydrophobicContact CD1-SD 3.62Å; I161-M164 WeakPolarHBondContact O-CB 3.42Å; I161-M164 PolarHBondContact O-N 2.79Å; N162-M164 VanDerWaalsContact C-N 3.3Å; M164-V170 CarbonylContact O-C 3.51Å; M164-V170 WeakPolarHBondContact O-CA 3.36Å; M164-V171 WeakPolarHBondContact O-CG2 3.49Å; M164-V171 PolarHBondContact O-N 3.24Å
165	I	89.6	Confident	92.8	Very high	114 Å²	114	75.9 Å²	75.9	59%	0.585	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.8	173.9	-60.8	173.9	0	0	0	109.4	R169 V170	I165-R169 CarbonylContact C-O 3.57Å; I165-R169 WeakPolarHBondContact CA-O 3.19Å; I165-V170 HydrophobicContact CG1-CG2 4.05Å
166	I	87.6	Confident	92.6	Very high	31 Å²	31	74.5 Å²	74.5	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.8	170	-52.2	-176.8	0	0	0	107.6	I112 T120 I161 D168 R169 V171	I112-I166 HydrophobicContact CD1-CG2 3.73Å; T120-I166 HydrophobicContact CG2-CD1 4.43Å; I161-I166 HydrophobicContact CG2-CD1 4.21Å; I166-D168 PolarHBondContact O-N 2.56Å; I166-R169 PolarHBondContact N-O 2.82Å; I166-R169 PolarHBondContact O-N 2.93Å; I166-R169 VanDerWaalsContact O-N 3.15Å; I166-V171 HydrophobicContact CB-CG1 3.96Å; I166-V171 HydrophobicContact CD1-CG1 4.1Å; I166-V171 HydrophobicContact CD1-CG2 3.81Å; I166-V171 HydrophobicContact CG1-CG1 4.05Å; I166-V171 HydrophobicContact CG1-CG2 4.03Å
167	R	87	Confident	92.1	Very high	112 Å²	112	71.5 Å²	71.5	42%	0.423	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	60.9	-173.6	-61.3	-170.2	-177.7	-164	-1.8	112.2	D109 S111 I112 E116 R169	D109-R167 HydrophobicContact CB-CB 4.08Å; S111-R167 VanDerWaalsContact C-NH1 3.31Å; S111-R167 VanDerWaalsContact CB-NH1 3.28Å; S111-R167 PolarHBondContact O-NH1 3.36Å; S111-R167 PolarHBondContact OG-NH1 3.13Å; I112-R167 HydrophobicContact CG1-CG 4.38Å; E116-R167 IonicContact OE1-CZ 3.19Å; E116-R167 IonicContact OE1-NE 2.91Å; E116-R167 PolarHBondContact OE1-NE 2.85Å; E116-R167 IonicContact OE1-NH2 2.74Å; E116-R167 PolarHBondContact OE1-NH2 3.36Å; E116-R167 IonicContact OE2-CZ 3.21Å; E116-R167 IonicContact OE2-NE 3.43Å; E116-R167 PolarHBondContact OE2-NE 3.28Å; E116-R167 IonicContact OE2-NH1 3.99Å; E116-R167 IonicContact OE2-NH2 2.84Å; E116-R167 PolarHBondContact OE2-NH2 2.93Å; R167-R169 PolarHBondContact O-N 2.87Å
168	D	88.3	Confident	91.7	Very high	162 Å²	162	73.8 Å²	73.8	87%	0.866	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	13	179.1	-51.5	-41.4	0	0	0	116.3	I166	I166-D168 PolarHBondContact O-N 2.56Å
169	R	89.7	Confident	91.1	Very high	97 Å²	97	79.4 Å²	79.4	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	173.5	-61.3	-169.7	-167.2	-109	-4.3	112.1	N107 D109 I165 I166 R167 V171	N107-R169 WeakPolarHBondContact O-CB 3.46Å; N107-R169 VanDerWaalsContact O-CD 3.32Å; N107-R169 WeakPolarHBondContact O-CD 3.16Å; D109-R169 HydrophobicContact CB-CG 4.4Å; D109-R169 IonicContact OD2-CZ 3.14Å; D109-R169 IonicContact OD2-NE 2.73Å; D109-R169 PolarHBondContact OD2-NE 2.94Å; D109-R169 IonicContact OD2-NH2 2.71Å; D109-R169 PolarHBondContact OD2-NH2 2.82Å; I165-R169 CarbonylContact C-O 3.57Å; I165-R169 WeakPolarHBondContact CA-O 3.19Å; I166-R169 PolarHBondContact N-O 2.82Å; I166-R169 PolarHBondContact O-N 2.93Å; I166-R169 VanDerWaalsContact O-N 3.15Å; R167-R169 PolarHBondContact O-N 2.87Å; R169-V171 PolarHBondContact O-N 2.99Å; R169-V171 VanDerWaalsContact O-N 3.17Å
170	V	92.3	Very high	90.6	Very high	73 Å²	73	77.8 Å²	77.8	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	110.1	164.4	178.6	0	0	0	0	108.6	N107 N163 M164 I165	N107-V170 PolarHBondContact ND2-O 3Å; N163-V170 HydrophobicContact CB-CG1 4Å; M164-V170 CarbonylContact O-C 3.51Å; M164-V170 WeakPolarHBondContact O-CA 3.36Å; I165-V170 HydrophobicContact CG1-CG2 4.05Å
171	V	93.8	Very high	90.2	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.006	37%	0.371	C	S	.	.			trans	-86.7	140.5	179.2	-60.2	0	0	0	0	110.9	L108 I161 N163 M164 I166 R169 V173	L108-V171 HydrophobicContact CD2-CG1 4.14Å; I161-V171 HydrophobicContact CG2-CG2 3.91Å; N163-V171 VanDerWaalsContact CA-O 3.27Å; N163-V171 WeakPolarHBondContact CA-O 3.36Å; N163-V171 PolarHBondContact N-O 2.94Å; M164-V171 WeakPolarHBondContact O-CG2 3.49Å; M164-V171 PolarHBondContact O-N 3.24Å; I166-V171 HydrophobicContact CB-CG1 3.96Å; I166-V171 HydrophobicContact CD1-CG1 4.1Å; I166-V171 HydrophobicContact CD1-CG2 3.81Å; I166-V171 HydrophobicContact CG1-CG1 4.05Å; I166-V171 HydrophobicContact CG1-CG2 4.03Å; R169-V171 PolarHBondContact O-N 2.99Å; R169-V171 VanDerWaalsContact O-N 3.17Å; V171-V173 HydrophobicContact CG2-CG2 4.32Å
172	Y	95.6	Very high	89.7	Confident	114 Å²	114	80 Å²	80	45%	0.447	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	170.7	171.5	-85.1	0	0	0	109.4	F104 I105 K106 N162	F104-Y172 HydrophobicContact CD1-CE1 4.3Å; I105-Y172 CarbonylContact C-O 3.53Å; I105-Y172 WeakPolarHBondContact CA-O 3.23Å; K106-Y172 HydrophobicContact CB-CD1 4.23Å; K106-Y172 PolarHBondContact N-O 3.23Å; K106-Y172 PolarHBondContact O-N 3.07Å; N162-Y172 WeakPolarHBondContact OD1-CA 3.31Å
173	V	95.7	Very high	88.9	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.006	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.5	176.7	-169.7	0	0	0	0	109.3	I103 I105 F121 I158 I161 N162 V171	I103-V173 HydrophobicContact CB-CG1 4.38Å; I103-V173 HydrophobicContact CD1-CG1 3.78Å; I105-V173 HydrophobicContact CG1-CG1 4.27Å; I105-V173 HydrophobicContact CG1-CG2 4.45Å; I105-V173 HydrophobicContact CG2-CG2 4.27Å; F121-V173 HydrophobicContact CE1-CG1 4.35Å; F121-V173 HydrophobicContact CZ-CG2 4.17Å; I158-V173 HydrophobicContact CG1-CG1 3.93Å; I161-V173 HydrophobicContact CB-CG2 4.1Å; I161-V173 HydrophobicContact CG2-CG2 3.87Å; N162-V173 HydrophobicContact CB-CB 4.09Å; N162-V173 PolarHBondContact OD1-N 3.15Å; N162-V173 PolarHBondContact OD1-O 2.83Å; V171-V173 HydrophobicContact CG2-CG2 4.32Å
174	G	94.4	Very high	88	Confident	6 Å²	6	82.3 Å²	82.3	6%	0.062	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	171.6	176.9	0	0	0	0	0	112.7	I103 F104	I103-G174 CarbonylContact C-O 3.57Å; I103-G174 WeakPolarHBondContact CA-O 3.24Å; F104-G174 PolarHBondContact N-O 3.08Å; F104-G174 PolarHBondContact O-N 3.04Å; F104-G174 VanDerWaalsContact O-N 3.09Å
175	K	93.8	Very high	86.9	Confident	101 Å²	101	81.5 Å²	81.5	44%	0.439	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	142.4	176.6	-66.3	-162.2	176.8	-166.6	0	111.1	E151 E155 I158 I177	E151-K175 IonicContact OE1-NZ 3.89Å; E151-K175 PolarHBondContact OE1-NZ 2.93Å; E155-K175 WeakPolarHBondContact OE1-CE 3.32Å; E155-K175 IonicContact OE1-NZ 3.92Å; E155-K175 PolarHBondContact OE1-NZ 3.39Å; I158-K175 HydrophobicContact CD1-CB 4.46Å; I158-K175 HydrophobicContact CD1-CG 3.64Å; K175-I177 PolarHBondContact O-N 2.84Å
176	F	91.8	Very high	85.6	Confident	64 Å²	64	78.6 Å²	78.6	28%	0.281	39%	0.386	S	S	.	.			trans	-70.8	126	179.5	170.8	-98.2	0	0	0	111.6	N102 F145 P178	N102-F176 HydrophobicContact CB-CB 3.61Å; N102-F176 HydrophobicContact CB-CD1 4.31Å; N102-F176 HydrophobicContact CB-CG 4.12Å; N102-F176 VanDerWaalsContact O-CB 3.24Å; N102-F176 WeakPolarHBondContact O-CB 3.45Å; N102-F176 PolarHBondContact O-N 2.93Å; F145-F176 AromaticContact CD1-CD2 3.54Å; F145-F176 HydrophobicContact CD1-CD2 3.54Å; F145-F176 AromaticContact CD1-CE2 3.82Å; F145-F176 HydrophobicContact CD1-CE2 3.82Å; F145-F176 AromaticContact CE1-CD2 3.54Å; F145-F176 HydrophobicContact CE1-CD2 3.54Å; F145-F176 AromaticContact CE1-CE2 3.51Å; F145-F176 HydrophobicContact CE1-CE2 3.51Å; F145-F176 HydrophobicContact CZ-CE2 4.16Å; F176-P178 HydrophobicContact CE1-CG 4.13Å
177	I	87.9	Confident	84.3	Confident	57 Å²	57	88.3 Å²	88.3	29%	0.292	42%	0.42	S	S	.	.			trans	-108.5	124.5	174	-49.7	179.4	0	0	0	109.5	K175 E181 R182	K175-I177 PolarHBondContact O-N 2.84Å; I177-E181 HydrophobicContact CG2-CB 3.94Å; I177-E181 HydrophobicContact CG2-CG 4.06Å; I177-R182 HydrophobicContact CB-CG 3.78Å; I177-R182 HydrophobicContact CG2-CG 3.6Å; I177-R182 PolarHBondContact O-NE 3.24Å; I177-R182 PolarHBondContact O-NH2 2.91Å; I177-R182 VanDerWaalsContact O-NH2 3.12Å
178	P	85.8	Confident	83.1	Confident	48 Å²	48	92 Å²	92	31%	0.312	44%	0.44	S	S	.	.			trans	-54	154.3	177.1	-29.1	36.4	0	0	0	114.5	F176 T180 E181 R182	F176-P178 HydrophobicContact CE1-CG 4.13Å; P178-T180 VanDerWaalsContact C-N 3.27Å; P178-T180 PolarHBondContact O-N 3.48Å; P178-E181 HydrophobicContact CB-CB 4.45Å; P178-E181 PolarHBondContact O-N 3Å; P178-R182 PolarHBondContact O-N 3.39Å
179	K	84.2	Confident	82.1	Confident	148 Å²	148	88.8 Å²	88.8	64%	0.643	43%	0.426	S	S	*	.	H	α-helix	trans	-65.9	-28.8	-179.2	-172.5	174.8	-178	177	0	112.9	K183	K179-K183 WeakPolarHBondContact O-CG 3.37Å; K179-K183 PolarHBondContact O-N 2.88Å
180	T	83.2	Confident	81.6	Confident	112 Å²	112	89.7 Å²	89.7	69%	0.687	43%	0.432	S	S	*	.	H	α-helix	trans	-66.5	-53.1	173.4	40	0	0	0	0	111	P178 K183 S184	P178-T180 VanDerWaalsContact C-N 3.27Å; P178-T180 PolarHBondContact O-N 3.48Å; T180-K183 WeakPolarHBondContact O-CB 3.49Å; T180-K183 PolarHBondContact O-N 3.44Å; T180-K183 VanDerWaalsContact O-N 3.08Å; T180-S184 PolarHBondContact O-N 2.98Å; T180-S184 VanDerWaalsContact O-N 3.09Å
181	E	85	Confident	81.4	Confident	88 Å²	88	88.3 Å²	88.3	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-66.3	-42.1	-179.1	-166.3	-167.1	159.3	0	0	112.1	I177 P178 K183 S184 Q185	I177-E181 HydrophobicContact CG2-CB 3.94Å; I177-E181 HydrophobicContact CG2-CG 4.06Å; P178-E181 HydrophobicContact CB-CB 4.45Å; P178-E181 PolarHBondContact O-N 3Å; E181-K183 PolarHBondContact O-N 3.34Å; E181-K183 VanDerWaalsContact O-N 3.13Å; E181-S184 WeakPolarHBondContact CA-OG 3.27Å; E181-S184 PolarHBondContact O-N 3.45Å; E181-S184 PolarHBondContact O-OG 3.16Å; E181-Q185 HydrophobicContact CG-CG 4.28Å; E181-Q185 WeakPolarHBondContact O-CB 3.2Å; E181-Q185 WeakPolarHBondContact O-CG 3.44Å; E181-Q185 PolarHBondContact O-N 3.24Å; E181-Q185 PolarHBondContact OE1-NE2 3.06Å
182	R	83.5	Confident	81.3	Confident	104 Å²	104	90.6 Å²	90.6	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-27.7	172	-78.7	-173.3	-78.8	157.9	-10.5	113.2	I177 P178 A186	I177-R182 HydrophobicContact CB-CG 3.78Å; I177-R182 HydrophobicContact CG2-CG 3.6Å; I177-R182 PolarHBondContact O-NE 3.24Å; I177-R182 PolarHBondContact O-NH2 2.91Å; I177-R182 VanDerWaalsContact O-NH2 3.12Å; P178-R182 PolarHBondContact O-N 3.39Å; R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 3.15Å; R182-A186 VanDerWaalsContact O-N 3.12Å
183	K	75	Confident	81.3	Confident	130 Å²	130	89.1 Å²	89.1	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-78.1	-35.9	173.5	-82.7	-172.1	169.9	-163.7	0	113	K179 T180 E181	K179-K183 WeakPolarHBondContact O-CG 3.37Å; K179-K183 PolarHBondContact O-N 2.88Å; T180-K183 WeakPolarHBondContact O-CB 3.49Å; T180-K183 PolarHBondContact O-N 3.44Å; T180-K183 VanDerWaalsContact O-N 3.08Å; E181-K183 PolarHBondContact O-N 3.34Å; E181-K183 VanDerWaalsContact O-N 3.13Å
184	S	73.1	Confident	81.3	Confident	72 Å²	72	89 Å²	89	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-73.6	-43.3	176.1	58.8	0	0	0	0	111.5	T180 E181 A186 R187	T180-S184 PolarHBondContact O-N 2.98Å; T180-S184 VanDerWaalsContact O-N 3.09Å; E181-S184 WeakPolarHBondContact CA-OG 3.27Å; E181-S184 PolarHBondContact O-N 3.45Å; E181-S184 PolarHBondContact O-OG 3.16Å; S184-A186 PolarHBondContact O-N 2.67Å; S184-R187 PolarHBondContact O-N 2.72Å
185	Q	67.7	Low	81.4	Confident	76 Å²	76	90.6 Å²	90.6	36%	0.355	44%	0.436	S	S	.	.	H	α-helix	trans	-55.5	-50.2	170.2	-69.3	-180	4.6	0	0	110.7	E181 R187 K188 V189	E181-Q185 HydrophobicContact CG-CG 4.28Å; E181-Q185 WeakPolarHBondContact O-CB 3.2Å; E181-Q185 WeakPolarHBondContact O-CG 3.44Å; E181-Q185 PolarHBondContact O-N 3.24Å; E181-Q185 PolarHBondContact OE1-NE2 3.06Å; Q185-R187 PolarHBondContact O-N 2.95Å; Q185-K188 WeakPolarHBondContact O-CA 3.46Å; Q185-K188 PolarHBondContact O-N 2.97Å; Q185-V189 WeakPolarHBondContact O-CG2 3.49Å; Q185-V189 PolarHBondContact O-N 3.15Å
186	A	62.5	Low	81.5	Confident	53 Å²	53	85.8 Å²	85.8	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-58.3	-20.2	-177.9	0	0	0	0	0	115.5	R182 S184	R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 3.15Å; R182-A186 VanDerWaalsContact O-N 3.12Å; S184-A186 PolarHBondContact O-N 2.67Å
187	R	60.7	Low	81.7	Confident	235 Å²	235	87.7 Å²	87.7	89%	0.887	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.8	171.8	-74.7	-176.1	169.1	-173.2	-3.6	113.9	S184 Q185	S184-R187 PolarHBondContact O-N 2.72Å; Q185-R187 PolarHBondContact O-N 2.95Å
188	K	62.3	Low	81.9	Confident	191 Å²	191	88.3 Å²	88.3	83%	0.83	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-4.7	176.1	-65.7	-171.8	173.9	-172.5	0	113.6	Q185 K190	Q185-K188 WeakPolarHBondContact O-CA 3.46Å; Q185-K188 PolarHBondContact O-N 2.97Å; K188-K190 PolarHBondContact O-N 2.87Å; K188-K190 VanDerWaalsContact O-N 3.15Å
189	V	66.6	Low	82.3	Confident	94 Å²	94	86.1 Å²	86.1	57%	0.57	41%	0.413	S	S	*	.			trans	-73.6	109.5	-176.8	171.3	0	0	0	0	110.3	Q185	Q185-V189 WeakPolarHBondContact O-CG2 3.49Å; Q185-V189 PolarHBondContact O-N 3.15Å
190	K	79.3	Confident	82.5	Confident	116 Å²	116	79.2 Å²	79.2	50%	0.504	38%	0.383	S	S	.	.			trans	-37.8	135.9	160.4	-78.4	-160.1	179.8	-165.9	0	111.3	K188 P242 D243	K188-K190 PolarHBondContact O-N 2.87Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K190-P242 HydrophobicContact CB-CB 3.69Å; K190-P242 HydrophobicContact CB-CG 3.74Å; K190-P242 HydrophobicContact CD-CB 4.31Å; K190-P242 HydrophobicContact CD-CG 3.69Å; K190-P242 HydrophobicContact CG-CG 4.34Å; K190-D243 VanDerWaalsContact CD-OD1 3.31Å; K190-D243 WeakPolarHBondContact CD-OD1 3.12Å; K190-D243 WeakPolarHBondContact CE-OD1 3.42Å; K190-D243 IonicContact NZ-OD1 3.73Å; K190-D243 PolarHBondContact NZ-OD1 3.21Å; K190-D243 IonicContact NZ-OD2 3.51Å; K190-D243 PolarHBondContact NZ-OD2 2.73Å
191	F	87.7	Confident	82.7	Confident	43 Å²	43	76.8 Å²	76.8	19%	0.189	37%	0.369	C	S	.	.			trans	-122.2	127.1	-169.2	58.4	-88.4	0	0	0	113	L194 A245 E246 V249 R266	F191-L194 HydrophobicContact CD2-CD2 3.9Å; F191-L194 HydrophobicContact CE2-CD2 3.63Å; F191-A245 HydrophobicContact CD2-CB 4.45Å; F191-A245 HydrophobicContact CE2-CB 4.5Å; F191-A245 WeakPolarHBondContact O-CB 3.47Å; F191-E246 HydrophobicContact CE1-CG 4.31Å; F191-E246 HydrophobicContact CZ-CB 4.12Å; F191-E246 HydrophobicContact CZ-CG 4.05Å; F191-V249 HydrophobicContact CE2-CG2 4.03Å; F191-V249 HydrophobicContact CZ-CG2 4.41Å; F191-R266 HydrophobicContact CB-CG 3.76Å; F191-R266 HydrophobicContact CD1-CB 4.4Å; F191-R266 HydrophobicContact CD1-CG 4.1Å; F191-R266 HydrophobicContact CD2-CB 3.85Å; F191-R266 HydrophobicContact CD2-CG 3.73Å; F191-R266 HydrophobicContact CE2-CB 4.01Å; F191-R266 HydrophobicContact CE2-CG 4.39Å; F191-R266 HydrophobicContact CG-CB 4.07Å; F191-R266 HydrophobicContact CG-CG 3.57Å; F191-R266 HydrophobicContact CZ-CB 4.35Å
192	N	92.6	Very high	82.9	Confident	50 Å²	50	79.1 Å²	79.1	27%	0.267	38%	0.38	S	S	.	.			trans	-84.6	-23.9	175.6	-66.4	67.2	0	0	0	113.9	C238 F239 L240	N192-C238 WeakPolarHBondContact O-CA 3.43Å; N192-F239 WeakPolarHBondContact CB-O 3.39Å; N192-F239 PolarHBondContact ND2-O 3.13Å; N192-F239 PolarHBondContact O-N 2.81Å; N192-L240 PolarHBondContact ND2-O 2.93Å
193	N	94.2	Very high	83.3	Confident	82 Å²	82	74.6 Å²	74.6	44%	0.439	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.4	-165.4	-66.1	30	0	0	0	111.4	V237 C238 A267	N193-V237 CarbonylContact C-O 3.41Å; N193-V237 WeakPolarHBondContact CA-O 3.46Å; N193-C238 PolarHBondContact OD1-SG 3.32Å; N193-A267 HydrophobicContact CB-CB 3.88Å; N193-A267 WeakPolarHBondContact O-CB 3.16Å; N193-A267 PolarHBondContact O-N 2.94Å
194	L	96.3	Very high	84.2	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.5	177.6	-53.2	-170.6	0	0	0	111.1	F191 I196 F212 F236 V237 F239 A245 A248 V249 A265	F191-L194 HydrophobicContact CD2-CD2 3.9Å; F191-L194 HydrophobicContact CE2-CD2 3.63Å; L194-I196 HydrophobicContact CB-CD1 4.4Å; L194-I196 HydrophobicContact CB-CG1 4.2Å; L194-F212 HydrophobicContact CD1-CD1 4.31Å; L194-F212 HydrophobicContact CD1-CE1 4.16Å; L194-F236 WeakPolarHBondContact O-CA 3.45Å; L194-F236 WeakPolarHBondContact O-CB 3.31Å; L194-F236 WeakPolarHBondContact O-CD1 3.46Å; L194-V237 PolarHBondContact N-O 3.25Å; L194-V237 PolarHBondContact O-N 2.93Å; L194-F239 HydrophobicContact CD1-CD2 4.26Å; L194-F239 HydrophobicContact CD1-CE2 3.73Å; L194-F239 HydrophobicContact CG-CE2 4.45Å; L194-A245 HydrophobicContact CD2-CB 3.95Å; L194-A245 HydrophobicContact CG-CB 4.26Å; L194-A248 HydrophobicContact CD1-CB 3.81Å; L194-V249 HydrophobicContact CD1-CG2 4.19Å; L194-V249 HydrophobicContact CD2-CG2 3.47Å; L194-V249 VanDerWaalsContact CD2-CG2 3.47Å; L194-V249 HydrophobicContact CG-CG2 4.43Å; L194-A265 CarbonylContact C-O 3.52Å; L194-A265 VanDerWaalsContact CA-O 3.31Å; L194-A265 WeakPolarHBondContact CA-O 3.16Å
195	Y	96.1	Very high	85.2	Confident	39 Å²	39	70.6 Å²	70.6	15%	0.153	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.5	164.2	171.3	-92.7	0	0	0	107.3	K197 F234 F236 Y263 A265	Y195-K197 HydrophobicContact CE1-CB 3.83Å; Y195-K197 HydrophobicContact CE1-CD 4.45Å; Y195-F234 HydrophobicContact CD2-CD2 4.13Å; Y195-F234 HydrophobicContact CE2-CB 4Å; Y195-F234 AromaticContact CE2-CD2 3.32Å; Y195-F234 HydrophobicContact CE2-CD2 3.32Å; Y195-F234 AromaticContact CE2-CE2 3.93Å; Y195-F234 HydrophobicContact CE2-CE2 3.93Å; Y195-F234 AromaticContact CE2-CG 3.86Å; Y195-F234 HydrophobicContact CE2-CG 3.86Å; Y195-F236 HydrophobicContact CD2-CD1 4.33Å; Y195-F236 AromaticContact CD2-CE1 3.71Å; Y195-F236 HydrophobicContact CD2-CE1 3.71Å; Y195-F236 AromaticContact CD2-CZ 3.96Å; Y195-F236 HydrophobicContact CD2-CZ 3.96Å; Y195-F236 HydrophobicContact CG-CE1 4.47Å; Y195-Y263 HydrophobicContact CD1-CD1 4.07Å; Y195-Y263 AromaticContact CD1-CE1 3.93Å; Y195-Y263 HydrophobicContact CD1-CE1 3.93Å; Y195-Y263 HydrophobicContact CE1-CD1 4.02Å; Y195-Y263 HydrophobicContact CE1-CE1 4.05Å; Y195-A265 PolarHBondContact N-O 3.03Å; Y195-A265 PolarHBondContact O-N 2.75Å
196	I	96.2	Very high	86.5	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.1	-174.8	-53.1	154.9	0	0	0	107.8	L194 F199 L208 F212 F234 G235 V237 L262 Y263	L194-I196 HydrophobicContact CB-CD1 4.4Å; L194-I196 HydrophobicContact CB-CG1 4.2Å; I196-F199 HydrophobicContact CB-CE1 4.47Å; I196-F199 HydrophobicContact CG2-CD1 3.92Å; I196-F199 HydrophobicContact CG2-CE1 4.3Å; I196-L208 HydrophobicContact CD1-CD1 4.04Å; I196-L208 HydrophobicContact CG2-CD1 4.32Å; I196-F212 HydrophobicContact CD1-CD1 4.28Å; I196-F212 HydrophobicContact CD1-CD2 3.93Å; I196-F212 HydrophobicContact CD1-CE1 3.91Å; I196-F212 HydrophobicContact CD1-CE2 3.54Å; I196-F212 HydrophobicContact CD1-CG 4.3Å; I196-F212 HydrophobicContact CD1-CZ 3.53Å; I196-F212 HydrophobicContact CG1-CE1 4.33Å; I196-F212 HydrophobicContact CG1-CE2 4.23Å; I196-F212 HydrophobicContact CG1-CZ 3.84Å; I196-F212 HydrophobicContact CG2-CE2 4.06Å; I196-F212 HydrophobicContact CG2-CZ 4.01Å; I196-F234 CarbonylContact O-C 3.49Å; I196-F234 WeakPolarHBondContact O-CA 3.17Å; I196-F234 WeakPolarHBondContact O-CB 3.31Å; I196-G235 PolarHBondContact N-O 2.66Å; I196-G235 PolarHBondContact O-N 3.47Å; I196-V237 HydrophobicContact CD1-CB 3.74Å; I196-V237 HydrophobicContact CD1-CG2 3.43Å; I196-V237 VanDerWaalsContact CD1-CG2 3.43Å; I196-L262 HydrophobicContact CG2-CD1 3.83Å; I196-L262 HydrophobicContact CG2-CD2 4.07Å; I196-L262 HydrophobicContact CG2-CG 4.01Å; I196-Y263 CarbonylContact C-O 3.59Å; I196-Y263 VanDerWaalsContact CA-O 3.29Å; I196-Y263 WeakPolarHBondContact CA-O 3.26Å
197	K	95.1	Very high	87.9	Confident	104 Å²	104	76.6 Å²	76.6	45%	0.452	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157	-177.7	-178.1	-173.3	179.8	-168.2	0	110.5	Y195 G233 F234 Y263	Y195-K197 HydrophobicContact CE1-CB 3.83Å; Y195-K197 HydrophobicContact CE1-CD 4.45Å; K197-G233 WeakPolarHBondContact CA-O 3.13Å; K197-G233 WeakPolarHBondContact CG-O 3.45Å; K197-F234 HydrophobicContact CB-CB 3.98Å; K197-F234 HydrophobicContact CG-CB 4.08Å; K197-Y263 HydrophobicContact CB-CD1 4.34Å; K197-Y263 PolarHBondContact N-O 3.43Å; K197-Y263 PolarHBondContact O-N 3.4Å
198	N	93	Very high	89.6	Confident	70 Å²	70	65.4 Å²	65.4	37%	0.374	32%	0.318	S	S	.	.			trans	76.2	17.9	173.2	-154.8	46.2	0	0	0	115.1	G233 R260 A261	N198-G233 PolarHBondContact N-O 3Å; N198-R260 WeakPolarHBondContact O-CB 3.38Å; N198-A261 PolarHBondContact ND2-O 2.94Å
199	F	93	Very high	91.1	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.009	30%	0.298	C	S	.	.			trans	-65.4	166.7	164.7	44.7	-109.1	0	0	0	111.9	I196 T203 L208 V223 R260 L262	I196-F199 HydrophobicContact CB-CE1 4.47Å; I196-F199 HydrophobicContact CG2-CD1 3.92Å; I196-F199 HydrophobicContact CG2-CE1 4.3Å; F199-T203 HydrophobicContact CB-CG2 4.44Å; F199-T203 HydrophobicContact CD2-CG2 4.11Å; F199-T203 HydrophobicContact CG-CG2 4.31Å; F199-L208 HydrophobicContact CD1-CD1 4.08Å; F199-L208 HydrophobicContact CE1-CD1 4.1Å; F199-V223 HydrophobicContact CE2-CG1 4.06Å; F199-V223 HydrophobicContact CE2-CG2 4.13Å; F199-V223 HydrophobicContact CZ-CB 4.48Å; F199-V223 HydrophobicContact CZ-CG1 4.05Å; F199-V223 HydrophobicContact CZ-CG2 3.89Å; F199-R260 PolarHBondContact O-NH1 3.23Å; F199-L262 HydrophobicContact CB-CD1 3.73Å; F199-L262 HydrophobicContact CD1-CD1 4.3Å
200	P	90.3	Very high	92.5	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.019	30%	0.304	C	S	.	.			trans	-49.5	147.8	171	-31.7	38.3	0	0	0	113.8	E202 T203 I257 E258	P200-E202 PolarHBondContact O-N 2.85Å; P200-T203 WeakPolarHBondContact CD-OG1 3.3Å; P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 3.01Å; P200-T203 VanDerWaalsContact O-N 3.14Å; P200-T203 PolarHBondContact O-OG1 2.99Å; P200-T203 VanDerWaalsContact O-OG1 3.14Å; P200-I257 HydrophobicContact CG-CG2 4.11Å; P200-E258 VanDerWaalsContact CB-OE2 3.3Å; P200-E258 WeakPolarHBondContact CB-OE2 3.31Å; P200-E258 HydrophobicContact CG-CB 4.16Å; P200-E258 HydrophobicContact CG-CG 3.94Å; P200-E258 WeakPolarHBondContact CG-OE1 3.47Å; P200-E258 WeakPolarHBondContact CG-OE2 3.36Å
201	P	87.4	Confident	93.1	Very high	60 Å²	60	59.8 Å²	59.8	39%	0.39	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-28	-178.1	28.1	-29.3	0	0	0	111.9	T203	P201-T203 VanDerWaalsContact C-N 3.28Å; P201-T203 PolarHBondContact O-N 2.96Å
202	E	88.6	Confident	93.5	Very high	137 Å²	137	57.7 Å²	57.7	64%	0.64	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	5.6	179.3	-46.9	-45.8	129.5	0	0	113.7	P200 D204 K207	P200-E202 PolarHBondContact O-N 2.85Å; E202-D204 PolarHBondContact O-N 3.21Å; E202-K207 WeakPolarHBondContact O-CD 3.34Å; E202-K207 PolarHBondContact O-NZ 3.12Å
203	T	91.2	Very high	93.6	Very high	9 Å²	9	59.4 Å²	59.4	6%	0.055	29%	0.29	C	S	.	.			trans	-76.4	117.1	171.7	-51.1	0	0	0	0	110	F199 P200 P201 K207 L208	F199-T203 HydrophobicContact CB-CG2 4.44Å; F199-T203 HydrophobicContact CD2-CG2 4.11Å; F199-T203 HydrophobicContact CG-CG2 4.31Å; P200-T203 WeakPolarHBondContact CD-OG1 3.3Å; P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 3.01Å; P200-T203 VanDerWaalsContact O-N 3.14Å; P200-T203 PolarHBondContact O-OG1 2.99Å; P200-T203 VanDerWaalsContact O-OG1 3.14Å; P201-T203 VanDerWaalsContact C-N 3.28Å; P201-T203 PolarHBondContact O-N 2.96Å; T203-K207 HydrophobicContact CG2-CB 4.02Å; T203-L208 HydrophobicContact CG2-CB 4Å; T203-L208 HydrophobicContact CG2-CD1 4.45Å
204	D	93.3	Very high	93.6	Very high	49 Å²	49	61.3 Å²	61.3	26%	0.262	30%	0.296	S	S	.	.			trans	-100.3	-169.2	173.4	54.4	52.9	0	0	0	111.3	E202 E206 K207 L208 V223	E202-D204 PolarHBondContact O-N 3.21Å; D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 2.99Å; D204-E206 WeakPolarHBondContact OD1-CA 3.29Å; D204-E206 PolarHBondContact OD1-N 2.87Å; D204-K207 PolarHBondContact OD1-N 3.38Å; D204-K207 WeakPolarHBondContact OD2-CD 3.15Å; D204-K207 WeakPolarHBondContact OD2-CE 3.44Å; D204-K207 IonicContact OD2-NZ 2.88Å; D204-K207 PolarHBondContact OD2-NZ 2.78Å; D204-L208 WeakPolarHBondContact O-CB 3.35Å; D204-L208 PolarHBondContact O-N 3.25Å; D204-V223 VanDerWaalsContact O-CG2 3.32Å; D204-V223 WeakPolarHBondContact O-CG2 3.32Å
205	N	94.5	Very high	93.5	Very high	69 Å²	69	62.7 Å²	62.7	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-30.2	-179.3	-65.2	-9.6	0	0	0	113.1	K209 C222 V223	N205-K209 PolarHBondContact O-N 3.45Å; N205-K209 VanDerWaalsContact O-N 3.12Å; N205-C222 WeakPolarHBondContact OD1-CA 3.45Å; N205-V223 PolarHBondContact OD1-N 2.83Å
206	E	95.1	Very high	93.4	Very high	159 Å²	159	61.8 Å²	61.8	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-83.9	-47.9	-172.9	-66.1	177.6	-171.3	0	0	109.6	D204 L208 K209 E210	D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 2.99Å; D204-E206 WeakPolarHBondContact OD1-CA 3.29Å; D204-E206 PolarHBondContact OD1-N 2.87Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 3.07Å; E206-K209 WeakPolarHBondContact O-CA 3.12Å; E206-K209 WeakPolarHBondContact O-CB 3.31Å; E206-K209 PolarHBondContact O-N 3.06Å; E206-E210 PolarHBondContact O-N 3.01Å
207	K	93.5	Very high	93.3	Very high	96 Å²	96	67.7 Å²	67.7	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-36.9	170.7	-62.6	174.1	-164.6	167.4	0	112.2	E202 T203 D204 K209 M211	E202-K207 WeakPolarHBondContact O-CD 3.34Å; E202-K207 PolarHBondContact O-NZ 3.12Å; T203-K207 HydrophobicContact CG2-CB 4.02Å; D204-K207 PolarHBondContact OD1-N 3.38Å; D204-K207 WeakPolarHBondContact OD2-CD 3.15Å; D204-K207 WeakPolarHBondContact OD2-CE 3.44Å; D204-K207 IonicContact OD2-NZ 2.88Å; D204-K207 PolarHBondContact OD2-NZ 2.78Å; K207-K209 VanDerWaalsContact C-N 3.33Å; K207-M211 WeakPolarHBondContact O-CB 3.38Å; K207-M211 PolarHBondContact O-N 3.45Å
208	L	94.5	Very high	93.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-31.5	174.2	-172.1	67.2	0	0	0	112.1	I196 F199 T203 D204 E206 F212 V223 V237	I196-L208 HydrophobicContact CD1-CD1 4.04Å; I196-L208 HydrophobicContact CG2-CD1 4.32Å; F199-L208 HydrophobicContact CD1-CD1 4.08Å; F199-L208 HydrophobicContact CE1-CD1 4.1Å; T203-L208 HydrophobicContact CG2-CB 4Å; T203-L208 HydrophobicContact CG2-CD1 4.45Å; D204-L208 WeakPolarHBondContact O-CB 3.35Å; D204-L208 PolarHBondContact O-N 3.25Å; E206-L208 VanDerWaalsContact C-N 3.28Å; E206-L208 PolarHBondContact O-N 3.07Å; L208-F212 HydrophobicContact CD1-CD2 4.27Å; L208-F212 HydrophobicContact CD1-CE2 4.21Å; L208-V223 HydrophobicContact CB-CG2 4.11Å; L208-V223 HydrophobicContact CD2-CG2 3.75Å; L208-V223 HydrophobicContact CG-CG2 4.49Å; L208-V237 HydrophobicContact CD2-CG2 4.2Å; L208-V237 HydrophobicContact CG-CG2 3.98Å
209	K	95.7	Very high	93.4	Very high	94 Å²	94	66.8 Å²	66.8	41%	0.409	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-53.3	172.6	-167.7	-175.7	179	-171.7	0	110	N205 E206 K207 M211 F212 N213 I218 A221	N205-K209 PolarHBondContact O-N 3.45Å; N205-K209 VanDerWaalsContact O-N 3.12Å; E206-K209 WeakPolarHBondContact O-CA 3.12Å; E206-K209 WeakPolarHBondContact O-CB 3.31Å; E206-K209 PolarHBondContact O-N 3.06Å; K207-K209 VanDerWaalsContact C-N 3.33Å; K209-M211 PolarHBondContact O-N 2.88Å; K209-F212 CarbonylContact O-C 3.57Å; K209-F212 PolarHBondContact O-N 3.37Å; K209-N213 WeakPolarHBondContact O-CB 3.29Å; K209-N213 PolarHBondContact O-N 2.96Å; K209-I218 HydrophobicContact CG-CB 4.14Å; K209-I218 HydrophobicContact CG-CD1 3.85Å; K209-I218 HydrophobicContact CG-CG2 4.08Å; K209-I218 WeakPolarHBondContact O-CD1 3.47Å; K209-A221 HydrophobicContact CB-CB 3.82Å; K209-A221 HydrophobicContact CG-CB 4.31Å
210	E	95	Very high	93.6	Very high	148 Å²	148	70 Å²	70	69%	0.692	35%	0.347	S	S	*	.	H	α-helix	trans	-52.1	-51.7	179.3	-176.1	178.3	-155.4	0	0	111.9	E206 F212 N213	E206-E210 PolarHBondContact O-N 3.01Å; E210-F212 PolarHBondContact O-N 3.18Å; E210-N213 PolarHBondContact O-N 2.98Å
211	M	93	Very high	93.9	Very high	41 Å²	41	70.7 Å²	70.7	20%	0.202	35%	0.354	C	S	.	.	H	α-helix	trans	-54.8	-23	177.6	-180	-177.1	-63.9	0	0	114.5	K207 K209 M252 I257 L262	K207-M211 WeakPolarHBondContact O-CB 3.38Å; K207-M211 PolarHBondContact O-N 3.45Å; K209-M211 PolarHBondContact O-N 2.88Å; M211-M252 HydrophobicContact CG-CE 3.55Å; M211-M252 WeakPolarHBondContact O-CE 3.39Å; M211-M252 HydrophobicContact SD-CE 4.27Å; M211-I257 HydrophobicContact CE-CD1 3.85Å; M211-I257 HydrophobicContact CE-CG2 4.41Å; M211-I257 HydrophobicContact CG-CD1 4.36Å; M211-I257 HydrophobicContact SD-CD1 3.73Å; M211-L262 HydrophobicContact SD-CD2 4.13Å
212	F	95.3	Very high	94.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-113.4	-6.5	-179.4	-81.7	-94.6	0	0	0	113.5	L194 I196 L208 K209 E210 E214 F215 I218 V237 F239 A248 M252 L262 C264	L194-F212 HydrophobicContact CD1-CD1 4.31Å; L194-F212 HydrophobicContact CD1-CE1 4.16Å; I196-F212 HydrophobicContact CD1-CD1 4.28Å; I196-F212 HydrophobicContact CD1-CD2 3.93Å; I196-F212 HydrophobicContact CD1-CE1 3.91Å; I196-F212 HydrophobicContact CD1-CE2 3.54Å; I196-F212 HydrophobicContact CD1-CG 4.3Å; I196-F212 HydrophobicContact CD1-CZ 3.53Å; I196-F212 HydrophobicContact CG1-CE1 4.33Å; I196-F212 HydrophobicContact CG1-CE2 4.23Å; I196-F212 HydrophobicContact CG1-CZ 3.84Å; I196-F212 HydrophobicContact CG2-CE2 4.06Å; I196-F212 HydrophobicContact CG2-CZ 4.01Å; L208-F212 HydrophobicContact CD1-CD2 4.27Å; L208-F212 HydrophobicContact CD1-CE2 4.21Å; K209-F212 CarbonylContact O-C 3.57Å; K209-F212 PolarHBondContact O-N 3.37Å; E210-F212 PolarHBondContact O-N 3.18Å; F212-E214 PolarHBondContact O-N 3.38Å; F212-F215 HydrophobicContact CD1-CD2 4.23Å; F212-F215 HydrophobicContact CD1-CE2 4.46Å; F212-F215 WeakPolarHBondContact O-CD2 3.17Å; F212-F215 PolarHBondContact O-N 3.1Å; F212-I218 HydrophobicContact CB-CD1 3.62Å; F212-V237 HydrophobicContact CB-CG1 4.25Å; F212-V237 HydrophobicContact CB-CG2 4.39Å; F212-V237 HydrophobicContact CD2-CG2 4.43Å; F212-V237 HydrophobicContact CG-CG2 4.31Å; F212-F239 HydrophobicContact CB-CZ 4.05Å; F212-F239 HydrophobicContact CD1-CE2 4.32Å; F212-F239 HydrophobicContact CD1-CZ 4.22Å; F212-F239 WeakPolarHBondContact O-CE1 3.33Å; F212-F239 WeakPolarHBondContact O-CZ 3.32Å; F212-A248 HydrophobicContact CD1-CB 4.01Å; F212-A248 HydrophobicContact CE1-CB 4.2Å; F212-M252 HydrophobicContact CD1-CG 4.41Å; F212-M252 HydrophobicContact CE1-CB 3.92Å; F212-M252 HydrophobicContact CE1-CG 3.77Å; F212-M252 HydrophobicContact CE2-CE 4.15Å; F212-M252 HydrophobicContact CZ-CB 3.89Å; F212-M252 HydrophobicContact CZ-CE 4.17Å; F212-M252 HydrophobicContact CZ-CG 3.99Å; F212-L262 HydrophobicContact CE2-CD2 4.11Å; F212-L262 HydrophobicContact CZ-CD2 3.93Å; F212-C264 HydrophobicContact CZ-CB 4.45Å
213	N	94.4	Very high	94.6	Very high	86 Å²	86	64 Å²	64	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-69.6	-18.1	-177.1	-158.7	94.3	0	0	0	111.9	K209 E210 F215 G216 I218	K209-N213 WeakPolarHBondContact O-CB 3.29Å; K209-N213 PolarHBondContact O-N 2.96Å; E210-N213 PolarHBondContact O-N 2.98Å; N213-F215 PolarHBondContact O-N 2.83Å; N213-G216 PolarHBondContact O-N 2.95Å; N213-I218 HydrophobicContact CB-CD1 4.43Å
214	E	93.6	Very high	94.8	Very high	122 Å²	122	66.2 Å²	66.2	57%	0.57	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.1	173	69.2	178	170.4	0	0	113.5	F212 K255	F212-E214 PolarHBondContact O-N 3.38Å; E214-K255 IonicContact OE1-NZ 3.73Å; E214-K255 PolarHBondContact OE1-NZ 3.35Å
215	F	94.7	Very high	94.7	Very high	29 Å²	29	69.4 Å²	69.4	13%	0.127	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-10.8	-178.4	-57.5	-71.2	0	0	0	114.9	F212 N213 F239 H244 A248 T251 M252	F212-F215 HydrophobicContact CD1-CD2 4.23Å; F212-F215 HydrophobicContact CD1-CE2 4.46Å; F212-F215 WeakPolarHBondContact O-CD2 3.17Å; F212-F215 PolarHBondContact O-N 3.1Å; N213-F215 PolarHBondContact O-N 2.83Å; F215-F239 HydrophobicContact CB-CE1 3.88Å; F215-F239 HydrophobicContact CB-CZ 3.85Å; F215-F239 HydrophobicContact CD2-CZ 4.47Å; F215-H244 WeakPolarHBondContact O-CB 3.38Å; F215-H244 PolarHBondContact O-CD2 2.87Å; F215-A248 HydrophobicContact CB-CB 3.9Å; F215-A248 HydrophobicContact CD1-CB 4.18Å; F215-A248 HydrophobicContact CD2-CB 3.57Å; F215-A248 HydrophobicContact CE2-CB 4.22Å; F215-A248 HydrophobicContact CG-CB 3.57Å; F215-T251 VanDerWaalsContact CE1-CB 3.48Å; F215-T251 HydrophobicContact CE1-CG2 3.78Å; F215-T251 HydrophobicContact CZ-CG2 3.84Å; F215-M252 HydrophobicContact CD2-CG 4.32Å; F215-M252 HydrophobicContact CE2-CE 4.44Å; F215-M252 HydrophobicContact CE2-CG 3.26Å; F215-M252 HydrophobicContact CE2-SD 3.6Å; F215-M252 HydrophobicContact CZ-CG 3.45Å; F215-M252 VanDerWaalsContact CZ-CG 3.45Å; F215-M252 HydrophobicContact CZ-SD 3.61Å
216	G	93.5	Very high	94.6	Very high	20 Å²	20	68.7 Å²	68.7	21%	0.206	34%	0.341	C	S	.	.	S	Bend	trans	134.5	-175.6	-177.9	0	0	0	0	0	113.9	N213 I218 F239	N213-G216 PolarHBondContact O-N 2.95Å; G216-I218 PolarHBondContact O-N 2.92Å; G216-F239 WeakPolarHBondContact O-CE1 3.49Å
217	E	95.7	Very high	94.4	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	35%	0.348	S	S	*	.			trans	-67.4	123.3	-170.7	-165.3	-170.2	147.2	0	0	113.3	F239 L240	E217-F239 CarbonylContact O-C 3.58Å; E217-F239 WeakPolarHBondContact O-CA 3.31Å; E217-L240 HydrophobicContact CB-CB 4.29Å; E217-L240 PolarHBondContact O-N 2.89Å; E217-L240 WeakPolarHBondContact OE2-CD2 3.44Å
218	I	95.7	Very high	94.2	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.3	177.2	-65.3	169.4	0	0	0	110.8	K209 F212 N213 G216 S220 A221 V237 C238 F239	K209-I218 HydrophobicContact CG-CB 4.14Å; K209-I218 HydrophobicContact CG-CD1 3.85Å; K209-I218 HydrophobicContact CG-CG2 4.08Å; K209-I218 WeakPolarHBondContact O-CD1 3.47Å; F212-I218 HydrophobicContact CB-CD1 3.62Å; N213-I218 HydrophobicContact CB-CD1 4.43Å; G216-I218 PolarHBondContact O-N 2.92Å; I218-S220 VanDerWaalsContact CG2-C 3.41Å; I218-S220 VanDerWaalsContact CG2-O 3.29Å; I218-S220 WeakPolarHBondContact CG2-O 3.34Å; I218-A221 HydrophobicContact CG2-CB 4.21Å; I218-V237 HydrophobicContact CD1-CG1 3.98Å; I218-V237 HydrophobicContact CG1-CG1 3.93Å; I218-V237 HydrophobicContact CG2-CG1 4.02Å; I218-C238 CarbonylContact C-O 3.59Å; I218-F239 HydrophobicContact CD1-CE1 4.32Å; I218-F239 HydrophobicContact CD1-CZ 4.44Å; I218-F239 HydrophobicContact CG1-CD1 3.93Å; I218-F239 HydrophobicContact CG1-CE1 3.66Å; I218-F239 HydrophobicContact CG1-CZ 4.11Å
219	K	94.7	Very high	93.8	Very high	147 Å²	147	72.6 Å²	72.6	64%	0.639	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	-32.7	172.9	-176.4	167.5	-173.9	159.5	0	113	C238 L240	K219-C238 WeakPolarHBondContact CA-O 3.43Å; K219-C238 WeakPolarHBondContact CB-O 3.41Å; K219-C238 PolarHBondContact N-O 2.92Å; K219-L240 HydrophobicContact CD-CD1 4.39Å
220	S	95.2	Very high	93.4	Very high	68 Å²	68	75 Å²	75	48%	0.476	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	146.6	167.3	57.7	0	0	0	0	113	I218 V237 C238	I218-S220 VanDerWaalsContact CG2-C 3.41Å; I218-S220 VanDerWaalsContact CG2-O 3.29Å; I218-S220 WeakPolarHBondContact CG2-O 3.34Å; S220-V237 CarbonylContact O-C 3.58Å; S220-V237 WeakPolarHBondContact O-CA 3.37Å; S220-C238 PolarHBondContact N-O 3.48Å; S220-C238 PolarHBondContact O-N 2.78Å; S220-C238 WeakPolarHBondContact OG-CB 3.19Å
221	A	96.7	Very high	93.2	Very high	19 Å²	19	69.3 Å²	69.3	16%	0.157	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.6	169.1	0	0	0	0	0	108.8	K209 I218 F236 V237	K209-A221 HydrophobicContact CB-CB 3.82Å; K209-A221 HydrophobicContact CG-CB 4.31Å; I218-A221 HydrophobicContact CG2-CB 4.21Å; A221-F236 CarbonylContact C-O 3.46Å; A221-F236 WeakPolarHBondContact CA-O 3.33Å; A221-V237 HydrophobicContact CB-CG2 3.95Å
222	C	95.6	Very high	93.2	Very high	52 Å²	52	72.9 Å²	72.9	35%	0.351	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	118.3	-178.5	-166.6	0	0	0	0	112.6	N205 M224 G235 F236	N205-C222 WeakPolarHBondContact OD1-CA 3.45Å; C222-M224 HydrophobicContact CB-CE 3.96Å; C222-M224 WeakPolarHBondContact SG-CE 3.45Å; C222-G235 CarbonylContact O-C 3.56Å; C222-G235 WeakPolarHBondContact O-CA 3.37Å; C222-F236 PolarHBondContact N-O 3.03Å; C222-F236 PolarHBondContact O-N 2.65Å
223	V	96.1	Very high	93	Very high	4 Å²	4	74 Å²	74	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.6	170.6	172.7	0	0	0	0	109	F199 D204 N205 L208 K225 S231	F199-V223 HydrophobicContact CE2-CG1 4.06Å; F199-V223 HydrophobicContact CE2-CG2 4.13Å; F199-V223 HydrophobicContact CZ-CB 4.48Å; F199-V223 HydrophobicContact CZ-CG1 4.05Å; F199-V223 HydrophobicContact CZ-CG2 3.89Å; D204-V223 VanDerWaalsContact O-CG2 3.32Å; D204-V223 WeakPolarHBondContact O-CG2 3.32Å; N205-V223 PolarHBondContact OD1-N 2.83Å; L208-V223 HydrophobicContact CB-CG2 4.11Å; L208-V223 HydrophobicContact CD2-CG2 3.75Å; L208-V223 HydrophobicContact CG-CG2 4.49Å; V223-K225 PolarHBondContact O-N 3.01Å; V223-S231 WeakPolarHBondContact CG1-OG 3.32Å
224	M	94.4	Very high	93	Very high	55 Å²	55	72.3 Å²	72.3	27%	0.271	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.8	178.3	-63.9	-67.6	97	0	0	109.7	C222 K232 F234 F236	C222-M224 HydrophobicContact CB-CE 3.96Å; C222-M224 WeakPolarHBondContact SG-CE 3.45Å; M224-K232 VanDerWaalsContact O-CB 3.23Å; M224-K232 WeakPolarHBondContact O-CB 3.42Å; M224-K232 VanDerWaalsContact O-CG 3.31Å; M224-K232 WeakPolarHBondContact O-CG 3.44Å; M224-K232 PolarHBondContact O-N 2.85Å; M224-F234 HydrophobicContact CB-CD2 4.1Å; M224-F234 HydrophobicContact CB-CE1 4.29Å; M224-F234 HydrophobicContact CB-CE2 3.77Å; M224-F234 HydrophobicContact CB-CZ 3.85Å; M224-F234 WeakPolarHBondContact CB-O 3.03Å; M224-F234 HydrophobicContact CG-CD2 3.86Å; M224-F234 HydrophobicContact CG-CE2 3.46Å; M224-F234 VanDerWaalsContact CG-CE2 3.46Å; M224-F234 HydrophobicContact CG-CZ 4Å; M224-F234 PolarHBondContact N-O 2.91Å; M224-F236 HydrophobicContact CE-CD2 4.25Å; M224-F236 HydrophobicContact CG-CD2 4.05Å; M224-F236 HydrophobicContact CG-CE2 3.79Å; M224-F236 HydrophobicContact SD-CD2 4.19Å; M224-F236 HydrophobicContact SD-CE2 3.98Å
225	K	93	Very high	93.1	Very high	117 Å²	117	66.5 Å²	66.5	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	156.8	177.3	-68.3	174	168.2	-163.1	0	111.5	V223 G229 K230 K232	V223-K225 PolarHBondContact O-N 3.01Å; K225-G229 WeakPolarHBondContact CD-O 3.43Å; K225-G229 WeakPolarHBondContact CG-O 3.27Å; K225-K230 CarbonylContact C-O 3.58Å; K225-K230 WeakPolarHBondContact CA-O 3.43Å; K225-K232 VanDerWaalsContact O-CD 3.31Å; K225-K232 WeakPolarHBondContact O-CD 3.45Å
226	D	90.6	Very high	93.2	Very high	54 Å²	54	68.3 Å²	68.3	29%	0.289	37%	0.367	S	S	.	.			trans	-88.5	-172.6	171.1	56.9	34.9	0	0	0	111.9	E228 G229 K230 K232	D226-E228 PolarHBondContact O-N 2.79Å; D226-E228 WeakPolarHBondContact OD1-CA 3.42Å; D226-E228 PolarHBondContact OD1-N 2.8Å; D226-G229 PolarHBondContact O-N 3.22Å; D226-G229 VanDerWaalsContact O-N 3.11Å; D226-G229 PolarHBondContact OD1-N 2.87Å; D226-K230 PolarHBondContact N-O 2.86Å; D226-K230 PolarHBondContact OD1-N 3.45Å; D226-K232 HydrophobicContact CB-CD 4.04Å; D226-K232 HydrophobicContact CB-CG 3.97Å
227	S	92.3	Very high	93.4	Very high	128 Å²	128	67.4 Å²	67.4	90%	0.895	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.8	179.2	42.7	0	0	0	0	114
228	E	89.5	Confident	93.3	Very high	169 Å²	169	62.3 Å²	62.3	79%	0.79	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.1	175.9	-63.6	169.9	-160.5	0	0	111.2	D226 K230	D226-E228 PolarHBondContact O-N 2.79Å; D226-E228 WeakPolarHBondContact OD1-CA 3.42Å; D226-E228 PolarHBondContact OD1-N 2.8Å; E228-K230 VanDerWaalsContact C-N 3.26Å; E228-K230 PolarHBondContact O-N 2.73Å
229	G	86.2	Confident	93.4	Very high	39 Å²	39	62 Å²	62	40%	0.402	33%	0.334	S	S	.	.	S	Bend	trans	79.4	4	-177.4	0	0	0	0	0	114.2	K225 D226	K225-G229 WeakPolarHBondContact CD-O 3.43Å; K225-G229 WeakPolarHBondContact CG-O 3.27Å; D226-G229 PolarHBondContact O-N 3.22Å; D226-G229 VanDerWaalsContact O-N 3.11Å; D226-G229 PolarHBondContact OD1-N 2.87Å
230	K	86.9	Confident	93.3	Very high	146 Å²	146	59.3 Å²	59.3	64%	0.635	33%	0.326	S	S	*	.			trans	-81.7	146.5	-177.8	-169.6	174.1	-173.5	169.2	0	110.9	K225 D226 E228 K232	K225-K230 CarbonylContact C-O 3.58Å; K225-K230 WeakPolarHBondContact CA-O 3.43Å; D226-K230 PolarHBondContact N-O 2.86Å; D226-K230 PolarHBondContact OD1-N 3.45Å; E228-K230 VanDerWaalsContact C-N 3.26Å; E228-K230 PolarHBondContact O-N 2.73Å; K230-K232 PolarHBondContact O-N 3.17Å
231	S	90.6	Very high	93.2	Very high	27 Å²	27	59.3 Å²	59.3	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	127.2	179.4	179.5	0	0	0	0	111.4	V223 G233	V223-S231 WeakPolarHBondContact CG1-OG 3.32Å; S231-G233 PolarHBondContact O-N 3.3Å; S231-G233 PolarHBondContact OG-N 3.31Å
232	K	91.6	Very high	93	Very high	116 Å²	116	59.4 Å²	59.4	50%	0.504	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	10.7	174.9	-57.2	177.3	76.5	151.6	0	112.5	M224 K225 D226 K230 F234	M224-K232 VanDerWaalsContact O-CB 3.23Å; M224-K232 WeakPolarHBondContact O-CB 3.42Å; M224-K232 VanDerWaalsContact O-CG 3.31Å; M224-K232 WeakPolarHBondContact O-CG 3.44Å; M224-K232 PolarHBondContact O-N 2.85Å; K225-K232 VanDerWaalsContact O-CD 3.31Å; K225-K232 WeakPolarHBondContact O-CD 3.45Å; D226-K232 HydrophobicContact CB-CD 4.04Å; D226-K232 HydrophobicContact CB-CG 3.97Å; K230-K232 PolarHBondContact O-N 3.17Å; K232-F234 HydrophobicContact CB-CD1 3.95Å; K232-F234 HydrophobicContact CB-CE1 3.81Å; K232-F234 WeakPolarHBondContact O-CD1 3.28Å; K232-F234 PolarHBondContact O-N 3.3Å
233	G	91.2	Very high	92.9	Very high	23 Å²	23	60 Å²	60	24%	0.237	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.7	15.8	-179.9	0	0	0	0	0	114.5	K197 N198 S231	K197-G233 WeakPolarHBondContact CA-O 3.13Å; K197-G233 WeakPolarHBondContact CG-O 3.45Å; N198-G233 PolarHBondContact N-O 3Å; S231-G233 PolarHBondContact O-N 3.3Å; S231-G233 PolarHBondContact OG-N 3.31Å
234	F	94.7	Very high	92.8	Very high	51 Å²	51	63.2 Å²	63.2	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	157.5	174	77.8	-89.9	0	0	0	112.5	Y195 I196 K197 M224 K232 F236	Y195-F234 HydrophobicContact CD2-CD2 4.13Å; Y195-F234 HydrophobicContact CE2-CB 4Å; Y195-F234 AromaticContact CE2-CD2 3.32Å; Y195-F234 HydrophobicContact CE2-CD2 3.32Å; Y195-F234 AromaticContact CE2-CE2 3.93Å; Y195-F234 HydrophobicContact CE2-CE2 3.93Å; Y195-F234 AromaticContact CE2-CG 3.86Å; Y195-F234 HydrophobicContact CE2-CG 3.86Å; I196-F234 CarbonylContact O-C 3.49Å; I196-F234 WeakPolarHBondContact O-CA 3.17Å; I196-F234 WeakPolarHBondContact O-CB 3.31Å; K197-F234 HydrophobicContact CB-CB 3.98Å; K197-F234 HydrophobicContact CG-CB 4.08Å; M224-F234 HydrophobicContact CB-CD2 4.1Å; M224-F234 HydrophobicContact CB-CE1 4.29Å; M224-F234 HydrophobicContact CB-CE2 3.77Å; M224-F234 HydrophobicContact CB-CZ 3.85Å; M224-F234 WeakPolarHBondContact CB-O 3.03Å; M224-F234 HydrophobicContact CG-CD2 3.86Å; M224-F234 HydrophobicContact CG-CE2 3.46Å; M224-F234 VanDerWaalsContact CG-CE2 3.46Å; M224-F234 HydrophobicContact CG-CZ 4Å; M224-F234 PolarHBondContact N-O 2.91Å; K232-F234 HydrophobicContact CB-CD1 3.95Å; K232-F234 HydrophobicContact CB-CE1 3.81Å; K232-F234 WeakPolarHBondContact O-CD1 3.28Å; K232-F234 PolarHBondContact O-N 3.3Å; F234-F236 HydrophobicContact CD2-CE2 4.4Å; F234-F236 HydrophobicContact CE2-CE2 4.09Å; F234-F236 HydrophobicContact CE2-CZ 4.37Å
235	G	95.9	Very high	92.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-174.2	-178.5	0	0	0	0	0	111.9	I196 C222	I196-G235 PolarHBondContact N-O 2.66Å; I196-G235 PolarHBondContact O-N 3.47Å; C222-G235 CarbonylContact O-C 3.56Å; C222-G235 WeakPolarHBondContact O-CA 3.37Å
236	F	97.1	Very high	92.9	Very high	68 Å²	68	58.6 Å²	58.6	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144	177.5	-59.1	-90	0	0	0	110.6	L194 Y195 A221 C222 M224 F234 A267	L194-F236 WeakPolarHBondContact O-CA 3.45Å; L194-F236 WeakPolarHBondContact O-CB 3.31Å; L194-F236 WeakPolarHBondContact O-CD1 3.46Å; Y195-F236 HydrophobicContact CD2-CD1 4.33Å; Y195-F236 AromaticContact CD2-CE1 3.71Å; Y195-F236 HydrophobicContact CD2-CE1 3.71Å; Y195-F236 AromaticContact CD2-CZ 3.96Å; Y195-F236 HydrophobicContact CD2-CZ 3.96Å; Y195-F236 HydrophobicContact CG-CE1 4.47Å; A221-F236 CarbonylContact C-O 3.46Å; A221-F236 WeakPolarHBondContact CA-O 3.33Å; C222-F236 PolarHBondContact N-O 3.03Å; C222-F236 PolarHBondContact O-N 2.65Å; M224-F236 HydrophobicContact CE-CD2 4.25Å; M224-F236 HydrophobicContact CG-CD2 4.05Å; M224-F236 HydrophobicContact CG-CE2 3.79Å; M224-F236 HydrophobicContact SD-CD2 4.19Å; M224-F236 HydrophobicContact SD-CE2 3.98Å; F234-F236 HydrophobicContact CD2-CE2 4.4Å; F234-F236 HydrophobicContact CE2-CE2 4.09Å; F234-F236 HydrophobicContact CE2-CZ 4.37Å; F236-A267 HydrophobicContact CD1-CB 3.97Å; F236-A267 HydrophobicContact CE1-CB 4.15Å
237	V	96.9	Very high	93.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	169.2	166.9	0	0	0	0	108.1	N193 L194 I196 L208 F212 I218 S220 A221 F239	N193-V237 CarbonylContact C-O 3.41Å; N193-V237 WeakPolarHBondContact CA-O 3.46Å; L194-V237 PolarHBondContact N-O 3.25Å; L194-V237 PolarHBondContact O-N 2.93Å; I196-V237 HydrophobicContact CD1-CB 3.74Å; I196-V237 HydrophobicContact CD1-CG2 3.43Å; I196-V237 VanDerWaalsContact CD1-CG2 3.43Å; L208-V237 HydrophobicContact CD2-CG2 4.2Å; L208-V237 HydrophobicContact CG-CG2 3.98Å; F212-V237 HydrophobicContact CB-CG1 4.25Å; F212-V237 HydrophobicContact CB-CG2 4.39Å; F212-V237 HydrophobicContact CD2-CG2 4.43Å; F212-V237 HydrophobicContact CG-CG2 4.31Å; I218-V237 HydrophobicContact CD1-CG1 3.98Å; I218-V237 HydrophobicContact CG1-CG1 3.93Å; I218-V237 HydrophobicContact CG2-CG1 4.02Å; S220-V237 CarbonylContact O-C 3.58Å; S220-V237 WeakPolarHBondContact O-CA 3.37Å; A221-V237 HydrophobicContact CB-CG2 3.95Å; V237-F239 HydrophobicContact CG1-CD2 3.93Å; V237-F239 HydrophobicContact CG1-CE2 3.6Å; V237-F239 HydrophobicContact CG1-CZ 4.11Å
238	C	95.4	Very high	93.3	Very high	17 Å²	17	53.6 Å²	53.6	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112	177.6	-178.9	0	0	0	0	107.9	N192 N193 I218 K219 S220	N192-C238 WeakPolarHBondContact O-CA 3.43Å; N193-C238 PolarHBondContact OD1-SG 3.32Å; I218-C238 CarbonylContact C-O 3.59Å; K219-C238 WeakPolarHBondContact CA-O 3.43Å; K219-C238 WeakPolarHBondContact CB-O 3.41Å; K219-C238 PolarHBondContact N-O 2.92Å; S220-C238 PolarHBondContact N-O 3.48Å; S220-C238 PolarHBondContact O-N 2.78Å; S220-C238 WeakPolarHBondContact OG-CB 3.19Å
239	F	96.5	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	155.2	173.1	-73.2	-88.3	0	0	0	111.2	N192 L194 F212 F215 G216 E217 I218 V237 D241 H244 A245 A248	N192-F239 WeakPolarHBondContact CB-O 3.39Å; N192-F239 PolarHBondContact ND2-O 3.13Å; N192-F239 PolarHBondContact O-N 2.81Å; L194-F239 HydrophobicContact CD1-CD2 4.26Å; L194-F239 HydrophobicContact CD1-CE2 3.73Å; L194-F239 HydrophobicContact CG-CE2 4.45Å; F212-F239 HydrophobicContact CB-CZ 4.05Å; F212-F239 HydrophobicContact CD1-CE2 4.32Å; F212-F239 HydrophobicContact CD1-CZ 4.22Å; F212-F239 WeakPolarHBondContact O-CE1 3.33Å; F212-F239 WeakPolarHBondContact O-CZ 3.32Å; F215-F239 HydrophobicContact CB-CE1 3.88Å; F215-F239 HydrophobicContact CB-CZ 3.85Å; F215-F239 HydrophobicContact CD2-CZ 4.47Å; G216-F239 WeakPolarHBondContact O-CE1 3.49Å; E217-F239 CarbonylContact O-C 3.58Å; E217-F239 WeakPolarHBondContact O-CA 3.31Å; I218-F239 HydrophobicContact CD1-CE1 4.32Å; I218-F239 HydrophobicContact CD1-CZ 4.44Å; I218-F239 HydrophobicContact CG1-CD1 3.93Å; I218-F239 HydrophobicContact CG1-CE1 3.66Å; I218-F239 HydrophobicContact CG1-CZ 4.11Å; V237-F239 HydrophobicContact CG1-CD2 3.93Å; V237-F239 HydrophobicContact CG1-CE2 3.6Å; V237-F239 HydrophobicContact CG1-CZ 4.11Å; F239-D241 WeakPolarHBondContact CB-O 3.39Å; F239-H244 HydrophobicContact CB-CB 4.22Å; F239-H244 HydrophobicContact CD1-CB 3.69Å; F239-H244 HydrophobicContact CE1-CB 4.24Å; F239-H244 HydrophobicContact CG-CB 4Å; F239-A245 HydrophobicContact CB-CB 4.19Å; F239-A245 HydrophobicContact CD2-CB 3.61Å; F239-A245 HydrophobicContact CE2-CB 4.39Å; F239-A245 HydrophobicContact CG-CB 4.19Å; F239-A248 HydrophobicContact CE2-CB 3.81Å; F239-A248 HydrophobicContact CZ-CB 3.9Å
240	L	93.1	Very high	94	Very high	92 Å²	92	51.3 Å²	51.3	48%	0.482	26%	0.256	S	S	.	.	S	Bend	trans	-68.8	-39.8	172.3	-172.6	62.2	0	0	0	111.5	N192 E217 K219	N192-L240 PolarHBondContact ND2-O 2.93Å; E217-L240 HydrophobicContact CB-CB 4.29Å; E217-L240 PolarHBondContact O-N 2.89Å; E217-L240 WeakPolarHBondContact OE2-CD2 3.44Å; K219-L240 HydrophobicContact CD-CD1 4.39Å
241	D	92.4	Very high	94.4	Very high	68 Å²	68	48 Å²	48	36%	0.364	25%	0.248	S	C	.	.	S	Bend	trans	-106.8	138	174	-163.7	-73.3	0	0	0	111.2	F239 D243	F239-D241 WeakPolarHBondContact CB-O 3.39Å; D241-D243 WeakPolarHBondContact OD1-CB 3.39Å; D241-D243 PolarHBondContact OD1-N 3Å
242	P	92.5	Very high	94.6	Very high	21 Å²	21	46.9 Å²	46.9	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-24.4	175.8	28.9	-38.5	0	0	0	115.9	K190 A245 E246	K190-P242 HydrophobicContact CB-CB 3.69Å; K190-P242 HydrophobicContact CB-CG 3.74Å; K190-P242 HydrophobicContact CD-CB 4.31Å; K190-P242 HydrophobicContact CD-CG 3.69Å; K190-P242 HydrophobicContact CG-CG 4.34Å; P242-A245 WeakPolarHBondContact O-CB 3.38Å; P242-A245 PolarHBondContact O-N 3.23Å; P242-A245 VanDerWaalsContact O-N 3.15Å; P242-E246 PolarHBondContact O-N 3.01Å
243	D	93	Very high	94.8	Very high	65 Å²	65	46 Å²	46	35%	0.348	24%	0.237	S	C	.	.	H	α-helix	trans	-73.2	-33.7	-177.6	-66.3	-11.8	0	0	0	110.8	K190 D241 A245 E246 N247	K190-D243 VanDerWaalsContact CD-OD1 3.31Å; K190-D243 WeakPolarHBondContact CD-OD1 3.12Å; K190-D243 WeakPolarHBondContact CE-OD1 3.42Å; K190-D243 IonicContact NZ-OD1 3.73Å; K190-D243 PolarHBondContact NZ-OD1 3.21Å; K190-D243 IonicContact NZ-OD2 3.51Å; K190-D243 PolarHBondContact NZ-OD2 2.73Å; D241-D243 WeakPolarHBondContact OD1-CB 3.39Å; D241-D243 PolarHBondContact OD1-N 3Å; D243-A245 VanDerWaalsContact C-N 3.3Å; D243-A245 PolarHBondContact O-N 3.26Å; D243-E246 PolarHBondContact O-N 3.39Å; D243-N247 WeakPolarHBondContact O-CB 3.47Å; D243-N247 VanDerWaalsContact O-CG 3.27Å; D243-N247 PolarHBondContact O-N 2.87Å; D243-N247 PolarHBondContact O-ND2 3.15Å
244	H	95.7	Very high	94.9	Very high	70 Å²	70	46.7 Å²	46.7	32%	0.324	25%	0.245	S	C	.	.	H	α-helix	trans	-56.6	-43.5	166	-61.7	154.7	0	0	0	111.7	F215 F239 N247 A248	F215-H244 WeakPolarHBondContact O-CB 3.38Å; F215-H244 PolarHBondContact O-CD2 2.87Å; F239-H244 HydrophobicContact CB-CB 4.22Å; F239-H244 HydrophobicContact CD1-CB 3.69Å; F239-H244 HydrophobicContact CE1-CB 4.24Å; F239-H244 HydrophobicContact CG-CB 4Å; H244-N247 PolarHBondContact O-N 2.84Å; H244-A248 VanDerWaalsContact O-CB 3.29Å; H244-A248 WeakPolarHBondContact O-CB 3.13Å; H244-A248 PolarHBondContact O-N 3.12Å
245	A	95	Very high	94.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-36.3	179.2	0	0	0	0	0	112.8	F191 L194 F239 P242 D243 V249	F191-A245 HydrophobicContact CD2-CB 4.45Å; F191-A245 HydrophobicContact CE2-CB 4.5Å; F191-A245 WeakPolarHBondContact O-CB 3.47Å; L194-A245 HydrophobicContact CD2-CB 3.95Å; L194-A245 HydrophobicContact CG-CB 4.26Å; F239-A245 HydrophobicContact CB-CB 4.19Å; F239-A245 HydrophobicContact CD2-CB 3.61Å; F239-A245 HydrophobicContact CE2-CB 4.39Å; F239-A245 HydrophobicContact CG-CB 4.19Å; P242-A245 WeakPolarHBondContact O-CB 3.38Å; P242-A245 PolarHBondContact O-N 3.23Å; P242-A245 VanDerWaalsContact O-N 3.15Å; D243-A245 VanDerWaalsContact C-N 3.3Å; D243-A245 PolarHBondContact O-N 3.26Å; A245-V249 WeakPolarHBondContact O-CG2 3.42Å; A245-V249 PolarHBondContact O-N 2.82Å
246	E	93.7	Very high	94.7	Very high	75 Å²	75	55.1 Å²	55.1	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-69.1	-40.4	174.7	-163	-177.5	119.1	0	0	111.6	F191 P242 D243 V249 K250	F191-E246 HydrophobicContact CE1-CG 4.31Å; F191-E246 HydrophobicContact CZ-CB 4.12Å; F191-E246 HydrophobicContact CZ-CG 4.05Å; P242-E246 PolarHBondContact O-N 3.01Å; D243-E246 PolarHBondContact O-N 3.39Å; E246-V249 PolarHBondContact O-N 2.83Å; E246-K250 WeakPolarHBondContact O-CG 3.47Å; E246-K250 PolarHBondContact O-N 3.09Å; E246-K250 WeakPolarHBondContact OE1-CE 3.11Å; E246-K250 IonicContact OE1-NZ 2.79Å; E246-K250 PolarHBondContact OE1-NZ 3.05Å
247	N	95.2	Very high	94.2	Very high	78 Å²	78	53.6 Å²	53.6	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-39.1	174.8	-69.2	-17.7	0	0	0	112.3	D243 H244 V249 K250 T251	D243-N247 WeakPolarHBondContact O-CB 3.47Å; D243-N247 VanDerWaalsContact O-CG 3.27Å; D243-N247 PolarHBondContact O-N 2.87Å; D243-N247 PolarHBondContact O-ND2 3.15Å; H244-N247 PolarHBondContact O-N 2.84Å; N247-V249 VanDerWaalsContact C-N 3.34Å; N247-V249 PolarHBondContact O-N 2.78Å; N247-K250 PolarHBondContact O-N 2.73Å; N247-T251 WeakPolarHBondContact O-CB 3.39Å; N247-T251 PolarHBondContact O-N 3.08Å; N247-T251 PolarHBondContact O-OG1 3.13Å
248	A	96.3	Very high	93.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-38.5	172	0	0	0	0	0	112.4	L194 F212 F215 F239 H244 M252	L194-A248 HydrophobicContact CD1-CB 3.81Å; F212-A248 HydrophobicContact CD1-CB 4.01Å; F212-A248 HydrophobicContact CE1-CB 4.2Å; F215-A248 HydrophobicContact CB-CB 3.9Å; F215-A248 HydrophobicContact CD1-CB 4.18Å; F215-A248 HydrophobicContact CD2-CB 3.57Å; F215-A248 HydrophobicContact CE2-CB 4.22Å; F215-A248 HydrophobicContact CG-CB 3.57Å; F239-A248 HydrophobicContact CE2-CB 3.81Å; F239-A248 HydrophobicContact CZ-CB 3.9Å; H244-A248 VanDerWaalsContact O-CB 3.29Å; H244-A248 WeakPolarHBondContact O-CB 3.13Å; H244-A248 PolarHBondContact O-N 3.12Å; A248-M252 WeakPolarHBondContact O-CB 3.45Å; A248-M252 WeakPolarHBondContact O-CG 3.26Å; A248-M252 PolarHBondContact O-N 2.93Å
249	V	95.4	Very high	93.3	Very high	30 Å²	30	63 Å²	63	18%	0.182	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-47.4	173	169.5	0	0	0	0	111.3	F191 L194 A245 E246 N247 T251 H253	F191-V249 HydrophobicContact CE2-CG2 4.03Å; F191-V249 HydrophobicContact CZ-CG2 4.41Å; L194-V249 HydrophobicContact CD1-CG2 4.19Å; L194-V249 HydrophobicContact CD2-CG2 3.47Å; L194-V249 VanDerWaalsContact CD2-CG2 3.47Å; L194-V249 HydrophobicContact CG-CG2 4.43Å; A245-V249 WeakPolarHBondContact O-CG2 3.42Å; A245-V249 PolarHBondContact O-N 2.82Å; E246-V249 PolarHBondContact O-N 2.83Å; N247-V249 VanDerWaalsContact C-N 3.34Å; N247-V249 PolarHBondContact O-N 2.78Å; V249-T251 VanDerWaalsContact C-N 3.26Å; V249-T251 PolarHBondContact O-N 3.36Å; V249-H253 WeakPolarHBondContact O-CB 3.47Å; V249-H253 PolarHBondContact O-N 2.95Å; V249-H253 VanDerWaalsContact O-N 3.13Å
250	K	94.8	Very high	93	Very high	130 Å²	130	67.3 Å²	67.3	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-58.3	-36.8	179.4	-71.2	165.3	-174.6	161.1	0	112.9	E246 N247	E246-K250 WeakPolarHBondContact O-CG 3.47Å; E246-K250 PolarHBondContact O-N 3.09Å; E246-K250 WeakPolarHBondContact OE1-CE 3.11Å; E246-K250 IonicContact OE1-NZ 2.79Å; E246-K250 PolarHBondContact OE1-NZ 3.05Å; N247-K250 PolarHBondContact O-N 2.73Å
251	T	95.3	Very high	93.1	Very high	77 Å²	77	65 Å²	65	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-94	-34.5	-172.8	-46	0	0	0	0	113.5	F215 N247 V249	F215-T251 VanDerWaalsContact CE1-CB 3.48Å; F215-T251 HydrophobicContact CE1-CG2 3.78Å; F215-T251 HydrophobicContact CZ-CG2 3.84Å; N247-T251 WeakPolarHBondContact O-CB 3.39Å; N247-T251 PolarHBondContact O-N 3.08Å; N247-T251 PolarHBondContact O-OG1 3.13Å; V249-T251 VanDerWaalsContact C-N 3.26Å; V249-T251 PolarHBondContact O-N 3.36Å
252	M	95.1	Very high	93.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-97.7	-13.6	-174.2	-58.2	-64.6	-81.3	0	0	113.8	M211 F212 F215 A248 G254 K255 I257 L262 C264	M211-M252 HydrophobicContact CG-CE 3.55Å; M211-M252 WeakPolarHBondContact O-CE 3.39Å; M211-M252 HydrophobicContact SD-CE 4.27Å; F212-M252 HydrophobicContact CD1-CG 4.41Å; F212-M252 HydrophobicContact CE1-CB 3.92Å; F212-M252 HydrophobicContact CE1-CG 3.77Å; F212-M252 HydrophobicContact CE2-CE 4.15Å; F212-M252 HydrophobicContact CZ-CB 3.89Å; F212-M252 HydrophobicContact CZ-CE 4.17Å; F212-M252 HydrophobicContact CZ-CG 3.99Å; F215-M252 HydrophobicContact CD2-CG 4.32Å; F215-M252 HydrophobicContact CE2-CE 4.44Å; F215-M252 HydrophobicContact CE2-CG 3.26Å; F215-M252 HydrophobicContact CE2-SD 3.6Å; F215-M252 HydrophobicContact CZ-CG 3.45Å; F215-M252 VanDerWaalsContact CZ-CG 3.45Å; F215-M252 HydrophobicContact CZ-SD 3.61Å; A248-M252 WeakPolarHBondContact O-CB 3.45Å; A248-M252 WeakPolarHBondContact O-CG 3.26Å; A248-M252 PolarHBondContact O-N 2.93Å; M252-G254 PolarHBondContact O-N 3.47Å; M252-K255 HydrophobicContact CE-CD 4.04Å; M252-K255 PolarHBondContact O-N 2.71Å; M252-K255 HydrophobicContact SD-CD 3.32Å; M252-K255 WeakPolarHBondContact SD-CD 3.32Å; M252-K255 PolarHBondContact SD-NZ 3.35Å; M252-I257 HydrophobicContact CE-CD1 4.34Å; M252-L262 HydrophobicContact CB-CD2 4.19Å; M252-L262 HydrophobicContact CE-CD2 4.11Å; M252-C264 HydrophobicContact CB-CB 4.16Å
253	H	95.2	Very high	93.4	Very high	97 Å²	97	66.3 Å²	66.3	45%	0.449	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	117.8	175	-169	101.3	0	0	0	110.8	V249 K255 Y263 C264	V249-H253 WeakPolarHBondContact O-CB 3.47Å; V249-H253 PolarHBondContact O-N 2.95Å; V249-H253 VanDerWaalsContact O-N 3.13Å; H253-K255 VanDerWaalsContact C-N 3.31Å; H253-Y263 AromaticContact CE1-CD2 3.54Å; H253-Y263 AromaticContact CE1-CE2 3.58Å; H253-C264 HydrophobicContact CB-CB 4.42Å; H253-C264 PolarHBondContact ND1-O 3.04Å
254	G	93.9	Very high	93.5	Very high	39 Å²	39	63.2 Å²	63.2	40%	0.402	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-10.5	-177.9	0	0	0	0	0	114.8	M252 E256 L262	M252-G254 PolarHBondContact O-N 3.47Å; G254-E256 PolarHBondContact O-N 2.85Å; G254-L262 PolarHBondContact N-O 3.48Å
255	K	93.3	Very high	93.4	Very high	81 Å²	81	60.7 Å²	60.7	35%	0.352	32%	0.322	S	S	.	.			trans	-57.4	122.7	174.8	-168.2	179.1	-175.5	176.5	0	108.9	E214 M252 H253 L262	E214-K255 IonicContact OE1-NZ 3.73Å; E214-K255 PolarHBondContact OE1-NZ 3.35Å; M252-K255 HydrophobicContact CE-CD 4.04Å; M252-K255 PolarHBondContact O-N 2.71Å; M252-K255 HydrophobicContact SD-CD 3.32Å; M252-K255 WeakPolarHBondContact SD-CD 3.32Å; M252-K255 PolarHBondContact SD-NZ 3.35Å; H253-K255 VanDerWaalsContact C-N 3.31Å; K255-L262 WeakPolarHBondContact O-CB 3.19Å; K255-L262 PolarHBondContact O-N 3.05Å
256	E	92.5	Very high	93.3	Very high	146 Å²	146	65.3 Å²	65.3	68%	0.682	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	128	178.8	-65	-161.7	154.5	0	0	111	G254 R260 A261	G254-E256 PolarHBondContact O-N 2.85Å; E256-R260 WeakPolarHBondContact CA-O 3.23Å; E256-A261 HydrophobicContact CG-CB 4.27Å
257	I	87.5	Confident	93.3	Very high	37 Å²	37	62.8 Å²	62.8	19%	0.19	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.3	177.1	-57.3	179.2	0	0	0	106.6	P200 M211 M252 G259 R260 L262	P200-I257 HydrophobicContact CG-CG2 4.11Å; M211-I257 HydrophobicContact CE-CD1 3.85Å; M211-I257 HydrophobicContact CE-CG2 4.41Å; M211-I257 HydrophobicContact CG-CD1 4.36Å; M211-I257 HydrophobicContact SD-CD1 3.73Å; M252-I257 HydrophobicContact CE-CD1 4.34Å; I257-G259 VanDerWaalsContact C-N 3.25Å; I257-G259 PolarHBondContact O-N 3.34Å; I257-R260 PolarHBondContact N-O 3.02Å; I257-R260 WeakPolarHBondContact O-CB 3.29Å; I257-R260 PolarHBondContact O-N 2.93Å; I257-L262 HydrophobicContact CD1-CD2 4.2Å
258	E	86.5	Confident	93	Very high	147 Å²	147	61.6 Å²	61.6	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	41.6	-174.5	-60.9	176.7	-157.3	0	0	113.7	P200 R260	P200-E258 VanDerWaalsContact CB-OE2 3.3Å; P200-E258 WeakPolarHBondContact CB-OE2 3.31Å; P200-E258 HydrophobicContact CG-CB 4.16Å; P200-E258 HydrophobicContact CG-CG 3.94Å; P200-E258 WeakPolarHBondContact CG-OE1 3.47Å; P200-E258 WeakPolarHBondContact CG-OE2 3.36Å; E258-R260 VanDerWaalsContact C-N 3.28Å; E258-R260 PolarHBondContact O-N 2.94Å
259	G	87.1	Confident	92.5	Very high	68 Å²	68	71.1 Å²	71.1	70%	0.701	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	19.4	-177.8	0	0	0	0	0	114.4	I257	I257-G259 VanDerWaalsContact C-N 3.25Å; I257-G259 PolarHBondContact O-N 3.34Å
260	R	90.6	Very high	92.1	Very high	91 Å²	91	77.3 Å²	77.3	34%	0.343	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.7	177.5	-55.9	-179.6	-175.8	-165.1	-1.7	110.6	N198 F199 E256 I257 E258 L262	N198-R260 WeakPolarHBondContact O-CB 3.38Å; F199-R260 PolarHBondContact O-NH1 3.23Å; E256-R260 WeakPolarHBondContact CA-O 3.23Å; I257-R260 PolarHBondContact N-O 3.02Å; I257-R260 WeakPolarHBondContact O-CB 3.29Å; I257-R260 PolarHBondContact O-N 2.93Å; E258-R260 VanDerWaalsContact C-N 3.28Å; E258-R260 PolarHBondContact O-N 2.94Å; R260-L262 PolarHBondContact O-N 3.46Å
261	A	93.8	Very high	91.4	Very high	44 Å²	44	78.3 Å²	78.3	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	116.8	169.5	0	0	0	0	0	110.4	N198 E256	N198-A261 PolarHBondContact ND2-O 2.94Å; E256-A261 HydrophobicContact CG-CB 4.27Å
262	L	94.9	Very high	90.8	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.01	38%	0.381	C	S	.	.			trans	-74.6	129.4	-177.2	-169.8	73.8	0	0	0	110.9	I196 F199 M211 F212 M252 G254 K255 I257 R260	I196-L262 HydrophobicContact CG2-CD1 3.83Å; I196-L262 HydrophobicContact CG2-CD2 4.07Å; I196-L262 HydrophobicContact CG2-CG 4.01Å; F199-L262 HydrophobicContact CB-CD1 3.73Å; F199-L262 HydrophobicContact CD1-CD1 4.3Å; M211-L262 HydrophobicContact SD-CD2 4.13Å; F212-L262 HydrophobicContact CE2-CD2 4.11Å; F212-L262 HydrophobicContact CZ-CD2 3.93Å; M252-L262 HydrophobicContact CB-CD2 4.19Å; M252-L262 HydrophobicContact CE-CD2 4.11Å; G254-L262 PolarHBondContact N-O 3.48Å; K255-L262 WeakPolarHBondContact O-CB 3.19Å; K255-L262 PolarHBondContact O-N 3.05Å; I257-L262 HydrophobicContact CD1-CD2 4.2Å; R260-L262 PolarHBondContact O-N 3.46Å
263	Y	95.8	Very high	90.4	Very high	113 Å²	113	82.4 Å²	82.4	44%	0.443	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101.8	173.9	-178.2	-89.7	0	0	0	109.7	Y195 I196 K197 H253 A265	Y195-Y263 HydrophobicContact CD1-CD1 4.07Å; Y195-Y263 AromaticContact CD1-CE1 3.93Å; Y195-Y263 HydrophobicContact CD1-CE1 3.93Å; Y195-Y263 HydrophobicContact CE1-CD1 4.02Å; Y195-Y263 HydrophobicContact CE1-CE1 4.05Å; I196-Y263 CarbonylContact C-O 3.59Å; I196-Y263 VanDerWaalsContact CA-O 3.29Å; I196-Y263 WeakPolarHBondContact CA-O 3.26Å; K197-Y263 HydrophobicContact CB-CD1 4.34Å; K197-Y263 PolarHBondContact N-O 3.43Å; K197-Y263 PolarHBondContact O-N 3.4Å; H253-Y263 AromaticContact CE1-CD2 3.54Å; H253-Y263 AromaticContact CE1-CE2 3.58Å; Y263-A265 HydrophobicContact CE1-CB 3.85Å
264	C	95.7	Very high	90	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.9	176.3	-175.9	0	0	0	0	110.4	F212 M252 H253	F212-C264 HydrophobicContact CZ-CB 4.45Å; M252-C264 HydrophobicContact CB-CB 4.16Å; H253-C264 HydrophobicContact CB-CB 4.42Å; H253-C264 PolarHBondContact ND1-O 3.04Å
265	A	94.2	Very high	89.6	Confident	18 Å²	18	84.7 Å²	84.7	15%	0.149	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	168	-179.5	0	0	0	0	0	112.1	L194 Y195 Y263 A267	L194-A265 CarbonylContact C-O 3.52Å; L194-A265 VanDerWaalsContact CA-O 3.31Å; L194-A265 WeakPolarHBondContact CA-O 3.16Å; Y195-A265 PolarHBondContact N-O 3.03Å; Y195-A265 PolarHBondContact O-N 2.75Å; Y263-A265 HydrophobicContact CE1-CB 3.85Å; A265-A267 PolarHBondContact O-N 3.3Å
266	R	93.3	Very high	89.3	Confident	97 Å²	97	85.1 Å²	85.1	37%	0.366	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.7	171.9	-177.8	-179.8	70.5	102.3	8.9	111.2	F191 Q268 E272	F191-R266 HydrophobicContact CB-CG 3.76Å; F191-R266 HydrophobicContact CD1-CB 4.4Å; F191-R266 HydrophobicContact CD1-CG 4.1Å; F191-R266 HydrophobicContact CD2-CB 3.85Å; F191-R266 HydrophobicContact CD2-CG 3.73Å; F191-R266 HydrophobicContact CE2-CB 4.01Å; F191-R266 HydrophobicContact CE2-CG 4.39Å; F191-R266 HydrophobicContact CG-CB 4.07Å; F191-R266 HydrophobicContact CG-CG 3.57Å; F191-R266 HydrophobicContact CZ-CB 4.35Å; R266-Q268 PolarHBondContact O-N 2.8Å; R266-E272 IonicContact CZ-OE1 3.95Å; R266-E272 IonicContact NH1-OE1 3.01Å; R266-E272 PolarHBondContact NH1-OE1 3.02Å; R266-E272 VanDerWaalsContact NH1-OE1 3.15Å; R266-E272 IonicContact NH1-OE2 2.85Å; R266-E272 IonicContact NH2-OE1 3.16Å; R266-E272 PolarHBondContact NH2-OE1 3.49Å
267	A	93.1	Very high	89	Confident	21 Å²	21	83 Å²	83	17%	0.174	40%	0.397	C	S	.	.			trans	-70.7	92.4	178.4	0	0	0	0	0	112.5	N193 F236 A265	N193-A267 HydrophobicContact CB-CB 3.88Å; N193-A267 WeakPolarHBondContact O-CB 3.16Å; N193-A267 PolarHBondContact O-N 2.94Å; F236-A267 HydrophobicContact CD1-CB 3.97Å; F236-A267 HydrophobicContact CE1-CB 4.15Å; A265-A267 PolarHBondContact O-N 3.3Å
268	Q	88.5	Confident	89.1	Confident	54 Å²	54	86.7 Å²	86.7	25%	0.252	41%	0.411	S	S	.	.			trans	-61.3	138.9	171.5	-69.4	-179.2	-26.3	0	0	112.6	R266 E272 R273 E276	R266-Q268 PolarHBondContact O-N 2.8Å; Q268-E272 VanDerWaalsContact CA-OE2 3.32Å; Q268-E272 WeakPolarHBondContact CA-OE2 3.45Å; Q268-R273 PolarHBondContact O-NH2 3.37Å; Q268-E276 PolarHBondContact NE2-OE1 2.81Å; Q268-E276 PolarHBondContact NE2-OE2 3.36Å
269	R	86.2	Confident	89.3	Confident	199 Å²	199	84.7 Å²	84.7	75%	0.751	40%	0.402	S	S	*	.			trans	-70.2	158.3	172.5	-67.1	-176.2	178.1	167.3	3.4	111.6	E271 E272 R273	R269-E271 PolarHBondContact O-N 3.44Å; R269-E272 HydrophobicContact CB-CB 4.18Å; R269-E272 PolarHBondContact N-OE2 2.9Å; R269-E272 PolarHBondContact O-N 3.46Å; R269-R273 WeakPolarHBondContact O-CB 3.49Å; R269-R273 PolarHBondContact O-N 2.87Å
270	K	85.8	Confident	89.4	Confident	161 Å²	161	89.7 Å²	89.7	70%	0.7	40%	0.399	S	S	*	.	H	α-helix	trans	-58.5	-46.9	180	-172.7	-177.6	174.9	-176.7	0	112.3	R273 Q274	K270-R273 PolarHBondContact O-N 3.38Å; K270-Q274 WeakPolarHBondContact O-CB 3.41Å; K270-Q274 VanDerWaalsContact O-CG 3.27Å; K270-Q274 WeakPolarHBondContact O-CG 3.49Å; K270-Q274 PolarHBondContact O-N 3.26Å
271	E	80.5	Confident	89.3	Confident	151 Å²	151	90 Å²	90	71%	0.706	41%	0.407	S	S	*	.	H	α-helix	trans	-61.4	-47.9	177.9	-175.2	-174.1	176.1	0	0	112	R269 R273 Q274 E275	R269-E271 PolarHBondContact O-N 3.44Å; E271-R273 PolarHBondContact O-N 3.3Å; E271-Q274 PolarHBondContact O-N 2.91Å; E271-E275 WeakPolarHBondContact O-CB 3.31Å; E271-E275 PolarHBondContact O-N 3.34Å
272	E	83.2	Confident	88.9	Confident	59 Å²	59	93.3 Å²	93.3	28%	0.276	42%	0.415	S	S	.	.	H	α-helix	trans	-55.9	-50.3	177.1	-179.1	179.5	-150.6	0	0	111.3	R266 Q268 R269 Q274 E275 E276	R266-E272 IonicContact CZ-OE1 3.95Å; R266-E272 IonicContact NH1-OE1 3.01Å; R266-E272 PolarHBondContact NH1-OE1 3.02Å; R266-E272 VanDerWaalsContact NH1-OE1 3.15Å; R266-E272 IonicContact NH1-OE2 2.85Å; R266-E272 IonicContact NH2-OE1 3.16Å; R266-E272 PolarHBondContact NH2-OE1 3.49Å; Q268-E272 VanDerWaalsContact CA-OE2 3.32Å; Q268-E272 WeakPolarHBondContact CA-OE2 3.45Å; R269-E272 HydrophobicContact CB-CB 4.18Å; R269-E272 PolarHBondContact N-OE2 2.9Å; R269-E272 PolarHBondContact O-N 3.46Å; E272-Q274 PolarHBondContact O-N 3.5Å; E272-E275 PolarHBondContact O-N 2.8Å; E272-E276 WeakPolarHBondContact O-CG 3.3Å; E272-E276 PolarHBondContact O-N 2.86Å
273	R	87.4	Confident	88.6	Confident	105 Å²	105	99.6 Å²	99.6	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-35.3	177.9	-166.4	-175.3	-51.3	167.3	9.8	113.3	Q268 R269 K270 E271 L277	Q268-R273 PolarHBondContact O-NH2 3.37Å; R269-R273 WeakPolarHBondContact O-CB 3.49Å; R269-R273 PolarHBondContact O-N 2.87Å; K270-R273 PolarHBondContact O-N 3.38Å; E271-R273 PolarHBondContact O-N 3.3Å; R273-L277 VanDerWaalsContact O-CB 3.26Å; R273-L277 WeakPolarHBondContact O-CB 3.46Å; R273-L277 PolarHBondContact O-N 3.49Å
274	Q	85.8	Confident	88	Confident	114 Å²	114	98 Å²	98	53%	0.533	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-39.6	176.4	-76.6	178.8	-63	0	0	111.7	K270 E271 E272 K278	K270-Q274 WeakPolarHBondContact O-CB 3.41Å; K270-Q274 VanDerWaalsContact O-CG 3.27Å; K270-Q274 WeakPolarHBondContact O-CG 3.49Å; K270-Q274 PolarHBondContact O-N 3.26Å; E271-Q274 PolarHBondContact O-N 2.91Å; E272-Q274 PolarHBondContact O-N 3.5Å; Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 PolarHBondContact O-N 2.89Å
275	E	86	Confident	87.4	Confident	71 Å²	71	106.9 Å²	106.9	33%	0.332	47%	0.472	S	S	.	.	H	α-helix	trans	-69.8	-42.6	176.5	-178.7	61	-164.7	0	0	111.7	E271 E272 L277 K278 Q279	E271-E275 WeakPolarHBondContact O-CB 3.31Å; E271-E275 PolarHBondContact O-N 3.34Å; E272-E275 PolarHBondContact O-N 2.8Å; E275-L277 PolarHBondContact O-N 2.59Å; E275-K278 PolarHBondContact O-N 3.43Å; E275-K278 IonicContact OE2-NZ 2.93Å; E275-Q279 WeakPolarHBondContact O-CB 3.31Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.45Å; E275-Q279 PolarHBondContact O-N 2.97Å; E275-Q279 PolarHBondContact OE1-NE2 3.19Å
276	E	85.9	Confident	86.8	Confident	90 Å²	90	108.9 Å²	108.9	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-44.2	172.1	-76.1	-178.4	-167.4	0	0	112.4	Q268 E272 Q279 R280	Q268-E276 PolarHBondContact NE2-OE1 2.81Å; Q268-E276 PolarHBondContact NE2-OE2 3.36Å; E272-E276 WeakPolarHBondContact O-CG 3.3Å; E272-E276 PolarHBondContact O-N 2.86Å; E276-Q279 PolarHBondContact O-N 2.75Å; E276-R280 WeakPolarHBondContact O-CB 3.42Å; E276-R280 PolarHBondContact O-N 2.76Å
277	L	87.4	Confident	86.2	Confident	102 Å²	102	108.6 Å²	108.6	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-42.7	176.9	176.1	60.1	0	0	0	111.5	R273 E275 R280 L281	R273-L277 VanDerWaalsContact O-CB 3.26Å; R273-L277 WeakPolarHBondContact O-CB 3.46Å; R273-L277 PolarHBondContact O-N 3.49Å; E275-L277 PolarHBondContact O-N 2.59Å; L277-R280 PolarHBondContact O-N 2.61Å; L277-L281 HydrophobicContact CD1-CD1 4.1Å; L277-L281 HydrophobicContact CD1-CG 4.22Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å; L277-L281 PolarHBondContact O-N 3.39Å
278	K	89.9	Confident	85.2	Confident	114 Å²	114	114.9 Å²	114.9	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-59.1	-50.5	174.4	177.7	-168.1	163.6	-155.7	0	110.9	Q274 E275 R280 L281 E282	Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 PolarHBondContact O-N 2.89Å; E275-K278 PolarHBondContact O-N 3.43Å; E275-K278 IonicContact OE2-NZ 2.93Å; K278-R280 VanDerWaalsContact C-N 3.31Å; K278-R280 PolarHBondContact O-N 2.77Å; K278-L281 PolarHBondContact O-N 2.95Å; K278-E282 VanDerWaalsContact O-CB 3.31Å; K278-E282 WeakPolarHBondContact O-CB 3.31Å; K278-E282 PolarHBondContact O-N 3Å
279	Q	89.8	Confident	84.4	Confident	104 Å²	104	116.2 Å²	116.2	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-37.5	178.4	-71.1	175.6	17.5	0	0	112.1	E275 E276 E282 K283	E275-Q279 WeakPolarHBondContact O-CB 3.31Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.45Å; E275-Q279 PolarHBondContact O-N 2.97Å; E275-Q279 PolarHBondContact OE1-NE2 3.19Å; E276-Q279 PolarHBondContact O-N 2.75Å; Q279-E282 PolarHBondContact O-N 2.91Å; Q279-K283 VanDerWaalsContact O-CB 3.3Å; Q279-K283 WeakPolarHBondContact O-CB 3.19Å; Q279-K283 PolarHBondContact O-N 2.96Å
280	R	89.4	Confident	83.8	Confident	173 Å²	173	109.7 Å²	109.7	65%	0.653	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-42.1	174.8	-172.1	175.1	-176.8	169.6	3.1	112.4	E276 L277 K278 Q284	E276-R280 WeakPolarHBondContact O-CB 3.42Å; E276-R280 PolarHBondContact O-N 2.76Å; L277-R280 PolarHBondContact O-N 2.61Å; K278-R280 VanDerWaalsContact C-N 3.31Å; K278-R280 PolarHBondContact O-N 2.77Å; R280-Q284 WeakPolarHBondContact O-CB 3.32Å; R280-Q284 WeakPolarHBondContact O-CG 3.45Å; R280-Q284 PolarHBondContact O-N 3.37Å
281	L	87.6	Confident	82.9	Confident	97 Å²	97	105.3 Å²	105.3	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-68.7	-37.2	176.1	-70.5	169.4	0	0	0	112	L277 K278 R285	L277-L281 HydrophobicContact CD1-CD1 4.1Å; L277-L281 HydrophobicContact CD1-CG 4.22Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å; L277-L281 PolarHBondContact O-N 3.39Å; K278-L281 PolarHBondContact O-N 2.95Å; L281-R285 WeakPolarHBondContact O-CB 3.3Å; L281-R285 PolarHBondContact O-N 3.42Å
282	E	87.3	Confident	82.1	Confident	114 Å²	114	103.4 Å²	103.4	53%	0.533	48%	0.479	S	S	.	.	H	α-helix	trans	-68.1	-44.7	176.3	-173.5	159	-159.3	0	0	111.4	K278 Q279 R285 A286	K278-E282 VanDerWaalsContact O-CB 3.31Å; K278-E282 WeakPolarHBondContact O-CB 3.31Å; K278-E282 PolarHBondContact O-N 3Å; Q279-E282 PolarHBondContact O-N 2.91Å; E282-R285 WeakPolarHBondContact O-CB 3.4Å; E282-R285 PolarHBondContact O-N 2.85Å; E282-R285 VanDerWaalsContact O-N 3.15Å; E282-A286 WeakPolarHBondContact O-CB 3.49Å; E282-A286 PolarHBondContact O-N 3.21Å
283	K	88.1	Confident	81.2	Confident	135 Å²	135	107 Å²	107	59%	0.587	50%	0.497	S	S	*	.	H	α-helix	trans	-58.2	-49.8	171.1	177.1	165.8	173.1	170.3	0	111.6	Q279 R285 A286 E287	Q279-K283 VanDerWaalsContact O-CB 3.3Å; Q279-K283 WeakPolarHBondContact O-CB 3.19Å; Q279-K283 PolarHBondContact O-N 2.96Å; K283-R285 PolarHBondContact O-N 3.45Å; K283-A286 PolarHBondContact O-N 2.84Å; K283-A286 VanDerWaalsContact O-N 3.07Å; K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 HydrophobicContact CG-CG 4.2Å; K283-E287 IonicContact NZ-OE1 2.56Å; K283-E287 WeakPolarHBondContact O-CB 3.23Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.45Å; K283-E287 PolarHBondContact O-N 3.38Å
284	Q	83.8	Confident	80.4	Confident	78 Å²	78	107 Å²	107	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-29.4	176.1	-75.7	-179	-3.9	0	0	113.5	R280 E287 R288	R280-Q284 WeakPolarHBondContact O-CB 3.32Å; R280-Q284 WeakPolarHBondContact O-CG 3.45Å; R280-Q284 PolarHBondContact O-N 3.37Å; Q284-E287 WeakPolarHBondContact CA-OE2 3.46Å; Q284-R288 WeakPolarHBondContact O-CB 2.78Å; Q284-R288 PolarHBondContact O-N 3.35Å
285	R	82.8	Confident	79.9	Confident	187 Å²	187	106 Å²	106	71%	0.706	50%	0.503	S	S	*	.	H	α-helix	trans	-75	-38.1	174	-177.3	179.6	178.5	178.8	-1.2	111.9	L281 E282 K283 Q289	L281-R285 WeakPolarHBondContact O-CB 3.3Å; L281-R285 PolarHBondContact O-N 3.42Å; E282-R285 WeakPolarHBondContact O-CB 3.4Å; E282-R285 PolarHBondContact O-N 2.85Å; E282-R285 VanDerWaalsContact O-N 3.15Å; K283-R285 PolarHBondContact O-N 3.45Å; R285-Q289 WeakPolarHBondContact O-CB 3.37Å; R285-Q289 PolarHBondContact O-N 2.96Å
286	A	81	Confident	79.9	Confident	60 Å²	60	103.1 Å²	103.1	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-70.7	-45.9	177.3	0	0	0	0	0	112	E282 K283 R288 Q289 S290	E282-A286 WeakPolarHBondContact O-CB 3.49Å; E282-A286 PolarHBondContact O-N 3.21Å; K283-A286 PolarHBondContact O-N 2.84Å; K283-A286 VanDerWaalsContact O-N 3.07Å; A286-R288 PolarHBondContact O-N 2.86Å; A286-Q289 CarbonylContact O-C 3.54Å; A286-Q289 WeakPolarHBondContact O-CA 3.48Å; A286-Q289 WeakPolarHBondContact O-CB 3.17Å; A286-Q289 PolarHBondContact O-N 3.5Å; A286-S290 PolarHBondContact O-N 3.31Å; A286-S290 PolarHBondContact O-OG 2.77Å
287	E	79.9	Confident	80.2	Confident	91 Å²	91	100.2 Å²	100.2	43%	0.425	48%	0.478	S	S	.	.	H	α-helix	trans	-56.8	-49.6	172.3	-70.2	166.9	155.6	0	0	110.7	K283 Q284 Q289 S290 S291	K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 HydrophobicContact CG-CG 4.2Å; K283-E287 IonicContact NZ-OE1 2.56Å; K283-E287 WeakPolarHBondContact O-CB 3.23Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.45Å; K283-E287 PolarHBondContact O-N 3.38Å; Q284-E287 WeakPolarHBondContact CA-OE2 3.46Å; E287-Q289 PolarHBondContact O-N 3.06Å; E287-Q289 VanDerWaalsContact O-N 3.15Å; E287-S290 PolarHBondContact O-N 3.23Å; E287-S290 PolarHBondContact O-OG 3.15Å; E287-S291 PolarHBondContact O-N 3.18Å; E287-S291 PolarHBondContact O-OG 3.07Å; E287-S291 VanDerWaalsContact O-OG 3.07Å
288	R	73.8	Confident	80.4	Confident	154 Å²	154	95.4 Å²	95.4	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-62.5	-21.5	173.8	-167.7	179	-57	161.4	7.8	112.6	Q284 A286 Y292	Q284-R288 WeakPolarHBondContact O-CB 2.78Å; Q284-R288 PolarHBondContact O-N 3.35Å; A286-R288 PolarHBondContact O-N 2.86Å; R288-Y292 HydrophobicContact CG-CD2 4.37Å; R288-Y292 HydrophobicContact CG-CE2 4.01Å; R288-Y292 WeakPolarHBondContact O-CD2 3.44Å
289	Q	71.5	Confident	80.6	Confident	81 Å²	81	91.5 Å²	91.5	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-82.5	-44	176.3	-178.8	150.7	-46.9	0	0	112.7	R285 A286 E287 S291 Y292 M293 R373	R285-Q289 WeakPolarHBondContact O-CB 3.37Å; R285-Q289 PolarHBondContact O-N 2.96Å; A286-Q289 CarbonylContact O-C 3.54Å; A286-Q289 WeakPolarHBondContact O-CA 3.48Å; A286-Q289 WeakPolarHBondContact O-CB 3.17Å; A286-Q289 PolarHBondContact O-N 3.5Å; E287-Q289 PolarHBondContact O-N 3.06Å; E287-Q289 VanDerWaalsContact O-N 3.15Å; Q289-S291 VanDerWaalsContact C-N 3.33Å; Q289-S291 PolarHBondContact O-N 2.92Å; Q289-Y292 PolarHBondContact O-N 2.89Å; Q289-M293 HydrophobicContact CG-SD 4.06Å; Q289-M293 WeakPolarHBondContact O-CG 3.44Å; Q289-M293 PolarHBondContact O-N 3.23Å; Q289-M293 VanDerWaalsContact O-N 3.16Å; Q289-R373 VanDerWaalsContact OE1-NH1 3.1Å
290	S	72.6	Confident	80.9	Confident	62 Å²	62	86.6 Å²	86.6	43%	0.434	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-41.3	173.5	54	0	0	0	0	111.4	A286 E287 Y292 M293 L294	A286-S290 PolarHBondContact O-N 3.31Å; A286-S290 PolarHBondContact O-OG 2.77Å; E287-S290 PolarHBondContact O-N 3.23Å; E287-S290 PolarHBondContact O-OG 3.15Å; S290-Y292 PolarHBondContact O-N 3.09Å; S290-M293 PolarHBondContact O-N 3.02Å; S290-L294 WeakPolarHBondContact O-CG 3.35Å; S290-L294 PolarHBondContact O-N 2.83Å
291	S	67.7	Low	81.1	Confident	70 Å²	70	83.5 Å²	83.5	49%	0.49	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-31.1	175	-57	0	0	0	0	114.3	E287 Q289	E287-S291 PolarHBondContact O-N 3.18Å; E287-S291 PolarHBondContact O-OG 3.07Å; E287-S291 VanDerWaalsContact O-OG 3.07Å; Q289-S291 VanDerWaalsContact C-N 3.33Å; Q289-S291 PolarHBondContact O-N 2.92Å
292	Y	64.2	Low	81.4	Confident	111 Å²	111	82.1 Å²	82.1	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-83.5	-23.5	174.2	-80.1	-60.2	0	0	0	113.5	R288 Q289 S290	R288-Y292 HydrophobicContact CG-CD2 4.37Å; R288-Y292 HydrophobicContact CG-CE2 4.01Å; R288-Y292 WeakPolarHBondContact O-CD2 3.44Å; Q289-Y292 PolarHBondContact O-N 2.89Å; S290-Y292 PolarHBondContact O-N 3.09Å
293	M	64.3	Low	81.7	Confident	133 Å²	133	76.7 Å²	76.7	66%	0.655	37%	0.371	S	S	*	.	H	α-helix	trans	-82.9	-18	-179.5	-71.9	178.4	64.2	0	0	113.4	Q289 S290 N295	Q289-M293 HydrophobicContact CG-SD 4.06Å; Q289-M293 WeakPolarHBondContact O-CG 3.44Å; Q289-M293 PolarHBondContact O-N 3.23Å; Q289-M293 VanDerWaalsContact O-N 3.16Å; S290-M293 PolarHBondContact O-N 3.02Å; M293-N295 PolarHBondContact O-N 3.12Å; M293-N295 VanDerWaalsContact O-N 3.11Å
294	L	70.4	Confident	81.9	Confident	106 Å²	106	71.3 Å²	71.3	56%	0.555	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	2.9	179.7	-75.5	166.8	0	0	0	115	S290 V296	S290-L294 WeakPolarHBondContact O-CG 3.35Å; S290-L294 PolarHBondContact O-N 2.83Å; L294-V296 HydrophobicContact CB-CG1 4.29Å; L294-V296 HydrophobicContact CB-CG2 4.17Å; L294-V296 PolarHBondContact O-N 3.32Å
295	N	75	Confident	82.1	Confident	92 Å²	92	72.5 Å²	72.5	49%	0.492	36%	0.357	S	S	.	.	S	Bend	trans	55.3	10.6	-179.7	-65.5	-38.1	0	0	0	116.4	M293 N297 L370	M293-N295 PolarHBondContact O-N 3.12Å; M293-N295 VanDerWaalsContact O-N 3.11Å; N295-N297 VanDerWaalsContact C-N 3.32Å; N295-N297 PolarHBondContact O-N 2.91Å; N295-L370 HydrophobicContact CB-CD1 4.4Å; N295-L370 HydrophobicContact CB-CD2 4.31Å; N295-L370 WeakPolarHBondContact O-CD2 3.49Å
296	V	86.5	Confident	82.5	Confident	12 Å²	12	69.7 Å²	69.7	7%	0.073	36%	0.356	C	S	.	.			trans	-73.5	-16.8	-179.7	-70.9	0	0	0	0	115	L294 F343	L294-V296 HydrophobicContact CB-CG1 4.29Å; L294-V296 HydrophobicContact CB-CG2 4.17Å; L294-V296 PolarHBondContact O-N 3.32Å; V296-F343 PolarHBondContact O-N 2.85Å
297	N	90.4	Very high	83	Confident	29 Å²	29	67.1 Å²	67.1	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.8	-171	-167.9	-23.9	0	0	0	111.1	N295 C342 A371	N295-N297 VanDerWaalsContact C-N 3.32Å; N295-N297 PolarHBondContact O-N 2.91Å; N297-C342 HydrophobicContact CB-CB 4.44Å; N297-A371 HydrophobicContact CB-CB 4.11Å; N297-A371 WeakPolarHBondContact O-CB 3.38Å; N297-A371 PolarHBondContact O-N 2.86Å
298	L	93	Very high	83.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.7	-179.5	-53.9	-167.9	0	0	0	111.2	F316 F340 V341 F343 A349 A352 V353 V368 A369 L370	L298-F316 HydrophobicContact CD1-CE1 4.31Å; L298-F340 CarbonylContact O-C 3.54Å; L298-F340 WeakPolarHBondContact O-CA 3.46Å; L298-V341 WeakPolarHBondContact CB-O 3.38Å; L298-V341 PolarHBondContact N-O 3.32Å; L298-V341 PolarHBondContact O-N 2.85Å; L298-F343 HydrophobicContact CD1-CD2 4.24Å; L298-F343 HydrophobicContact CD1-CE2 3.79Å; L298-F343 HydrophobicContact CG-CD2 4.41Å; L298-F343 HydrophobicContact CG-CE2 4.4Å; L298-A349 HydrophobicContact CD2-CB 3.92Å; L298-A349 HydrophobicContact CG-CB 4.37Å; L298-A352 HydrophobicContact CD1-CB 3.73Å; L298-V353 HydrophobicContact CD1-CG2 3.92Å; L298-V353 HydrophobicContact CD2-CG2 3.36Å; L298-V353 HydrophobicContact CG-CG2 4.24Å; L298-V368 HydrophobicContact CB-CG1 4.41Å; L298-V368 HydrophobicContact CD1-CG1 3.87Å; L298-A369 CarbonylContact C-O 3.55Å; L298-A369 WeakPolarHBondContact CA-O 3.46Å; L298-L370 HydrophobicContact CD2-CD2 3.82Å
299	Y	93.7	Very high	84.6	Confident	33 Å²	33	61.3 Å²	61.3	13%	0.129	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.3	166.9	171.1	-100.5	0	0	0	108.6	K301 F338 F340 Y367 A369	Y299-K301 HydrophobicContact CD1-CB 4.48Å; Y299-K301 HydrophobicContact CE1-CB 3.7Å; Y299-K301 HydrophobicContact CE1-CD 4.42Å; Y299-K301 HydrophobicContact CE1-CG 4.2Å; Y299-F338 HydrophobicContact CD2-CD2 4.17Å; Y299-F338 HydrophobicContact CE2-CB 4.15Å; Y299-F338 AromaticContact CE2-CD2 3.48Å; Y299-F338 HydrophobicContact CE2-CD2 3.48Å; Y299-F338 VanDerWaalsContact CE2-CD2 3.48Å; Y299-F338 HydrophobicContact CE2-CE2 4.07Å; Y299-F338 HydrophobicContact CE2-CG 4.01Å; Y299-F340 HydrophobicContact CD2-CD1 4.44Å; Y299-F340 AromaticContact CD2-CE1 3.78Å; Y299-F340 HydrophobicContact CD2-CE1 3.78Å; Y299-F340 AromaticContact CD2-CZ 3.94Å; Y299-F340 HydrophobicContact CD2-CZ 3.94Å; Y299-F340 HydrophobicContact CG-CE1 4.46Å; Y299-Y367 HydrophobicContact CD1-CD1 4.29Å; Y299-Y367 HydrophobicContact CD1-CE1 4.1Å; Y299-Y367 HydrophobicContact CE1-CD1 4.2Å; Y299-Y367 HydrophobicContact CE1-CE1 4.15Å; Y299-A369 PolarHBondContact N-O 3.05Å; Y299-A369 PolarHBondContact O-N 3.39Å; Y299-A369 VanDerWaalsContact O-N 3.12Å
300	V	95.7	Very high	85.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	178.8	-173.9	0	0	0	0	108.4	L303 L312 F316 F338 G339 V341 L366 Y367 V368	V300-L303 HydrophobicContact CG1-CD2 3.7Å; V300-L303 HydrophobicContact CG1-CG 4.41Å; V300-L312 HydrophobicContact CB-CD1 4.43Å; V300-L312 HydrophobicContact CG1-CD1 4.22Å; V300-L312 HydrophobicContact CG2-CD1 4.42Å; V300-F316 HydrophobicContact CB-CZ 4.49Å; V300-F316 HydrophobicContact CG1-CE2 4.18Å; V300-F316 HydrophobicContact CG1-CZ 4.05Å; V300-F316 HydrophobicContact CG2-CE1 4.08Å; V300-F316 HydrophobicContact CG2-CE2 4.03Å; V300-F316 HydrophobicContact CG2-CZ 3.56Å; V300-F338 CarbonylContact O-C 3.47Å; V300-F338 WeakPolarHBondContact O-CA 3.43Å; V300-F338 VanDerWaalsContact O-CB 3.29Å; V300-F338 WeakPolarHBondContact O-CB 3.3Å; V300-G339 PolarHBondContact N-O 2.99Å; V300-G339 PolarHBondContact O-N 3.48Å; V300-V341 HydrophobicContact CG2-CG2 4.04Å; V300-L366 HydrophobicContact CG1-CD1 4.16Å; V300-L366 HydrophobicContact CG1-CD2 4.33Å; V300-Y367 CarbonylContact C-O 3.53Å; V300-Y367 WeakPolarHBondContact CA-O 3.37Å; V300-V368 HydrophobicContact CG1-CG2 4.34Å; V300-V368 HydrophobicContact CG2-CG1 4.45Å
301	K	94.8	Very high	86.7	Confident	108 Å²	108	66.4 Å²	66.4	47%	0.47	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	163.1	-177.8	-164.1	-148.3	173.3	-165.7	0	110.1	Y299 L303 G337 F338 Y367	Y299-K301 HydrophobicContact CD1-CB 4.48Å; Y299-K301 HydrophobicContact CE1-CB 3.7Å; Y299-K301 HydrophobicContact CE1-CD 4.42Å; Y299-K301 HydrophobicContact CE1-CG 4.2Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-G337 CarbonylContact C-O 3.47Å; K301-F338 HydrophobicContact CB-CB 4.23Å; K301-F338 HydrophobicContact CG-CB 4.06Å; K301-Y367 HydrophobicContact CB-CD1 4.06Å; K301-Y367 PolarHBondContact N-O 3.5Å; K301-Y367 PolarHBondContact O-N 2.91Å
302	N	93.4	Very high	88	Confident	68 Å²	68	63.1 Å²	63.1	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	67.9	32.2	-175	-151.7	38.7	0	0	0	112.7	G337 K364 P365	N302-G337 PolarHBondContact N-O 3.49Å; N302-K364 VanDerWaalsContact O-CB 3.26Å; N302-K364 WeakPolarHBondContact O-CB 3.38Å; N302-P365 WeakPolarHBondContact CB-O 3.42Å; N302-P365 PolarHBondContact ND2-O 2.72Å
303	L	93.6	Very high	89.5	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.303	C	S	.	.			trans	-60.1	143.6	169.8	-62.2	176.5	0	0	0	110.1	V300 K301 I307 L312 V327 G337 K364 L366	V300-L303 HydrophobicContact CG1-CD2 3.7Å; V300-L303 HydrophobicContact CG1-CG 4.41Å; K301-L303 VanDerWaalsContact C-N 3.31Å; L303-I307 HydrophobicContact CB-CB 4.49Å; L303-I307 HydrophobicContact CB-CD1 4.38Å; L303-I307 HydrophobicContact CD2-CD1 4.12Å; L303-I307 HydrophobicContact CD2-CG2 4.28Å; L303-L312 HydrophobicContact CD2-CD1 4.01Å; L303-V327 HydrophobicContact CD1-CB 4.45Å; L303-V327 HydrophobicContact CD1-CG1 3.99Å; L303-V327 HydrophobicContact CD1-CG2 3.89Å; L303-G337 PolarHBondContact N-O 2.9Å; L303-G337 VanDerWaalsContact N-O 3.13Å; L303-K364 PolarHBondContact O-NZ 2.98Å; L303-K364 VanDerWaalsContact O-NZ 3.15Å; L303-L366 HydrophobicContact CD2-CD2 3.84Å
304	D	91.3	Very high	90.9	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.118	29%	0.294	C	S	.	.			trans	-65.7	151.6	164.9	-145.1	-29.4	0	0	0	110.6	N306 I307 S363 K364	D304-N306 PolarHBondContact O-N 3.48Å; D304-I307 HydrophobicContact CB-CD1 4.03Å; D304-I307 HydrophobicContact CB-CG1 3.97Å; D304-I307 PolarHBondContact O-N 3.36Å; D304-S363 WeakPolarHBondContact OD2-CB 3.43Å; D304-S363 PolarHBondContact OD2-N 3.22Å; D304-S363 PolarHBondContact OD2-OG 3.03Å; D304-K364 WeakPolarHBondContact OD1-CE 3.5Å; D304-K364 IonicContact OD1-NZ 3.02Å
305	D	89.5	Confident	92	Very high	102 Å²	102	56.4 Å²	56.4	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.8	-175.6	-69.6	48	0	0	0	110.9	K364	D305-K364 IonicContact OD1-NZ 2.6Å; D305-K364 PolarHBondContact OD1-NZ 3.38Å
306	N	90.3	Very high	92.9	Very high	128 Å²	128	52 Å²	52	68%	0.684	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	10.7	176.1	-59.7	-43	0	0	0	114.2	D304	D304-N306 PolarHBondContact O-N 3.48Å
307	I	91.4	Very high	93.3	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.036	27%	0.27	C	S	.	.			trans	-95.1	121.4	170.4	-59.1	177.1	0	0	0	108.7	L303 D304 R311 L312 I361	L303-I307 HydrophobicContact CB-CB 4.49Å; L303-I307 HydrophobicContact CB-CD1 4.38Å; L303-I307 HydrophobicContact CD2-CD1 4.12Å; L303-I307 HydrophobicContact CD2-CG2 4.28Å; D304-I307 HydrophobicContact CB-CD1 4.03Å; D304-I307 HydrophobicContact CB-CG1 3.97Å; D304-I307 PolarHBondContact O-N 3.36Å; I307-R311 HydrophobicContact CG2-CB 4.31Å; I307-L312 HydrophobicContact CG2-CB 4.11Å; I307-I361 HydrophobicContact CD1-CB 4.21Å; I307-I361 HydrophobicContact CD1-CG2 3.78Å
308	D	92.9	Very high	93.5	Very high	73 Å²	73	58.5 Å²	58.5	39%	0.39	30%	0.296	S	S	.	.			trans	-104.6	-175.1	174.3	78.1	-27.3	0	0	0	111.6	K310 R311 L312 V327	D308-K310 VanDerWaalsContact C-N 3.3Å; D308-K310 PolarHBondContact O-N 3.32Å; D308-K310 PolarHBondContact OD1-N 3.23Å; D308-R311 VanDerWaalsContact OD1-CB 3.23Å; D308-R311 WeakPolarHBondContact OD1-CB 3.36Å; D308-R311 PolarHBondContact OD1-N 3.02Å; D308-L312 VanDerWaalsContact O-CB 3.3Å; D308-L312 WeakPolarHBondContact O-CB 3.31Å; D308-L312 PolarHBondContact O-N 3.02Å; D308-V327 VanDerWaalsContact C-CG2 3.5Å; D308-V327 WeakPolarHBondContact O-CG2 3.5Å
309	D	95.1	Very high	93.5	Very high	50 Å²	50	60.1 Å²	60.1	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-38.3	-174.8	-54.2	-16.9	0	0	0	110.8	E313 V327 K329	D309-E313 PolarHBondContact O-N 3.45Å; D309-V327 WeakPolarHBondContact OD1-CA 3.38Å; D309-V327 VanDerWaalsContact OD1-CB 3.29Å; D309-V327 WeakPolarHBondContact OD1-CB 3.28Å; D309-V327 PolarHBondContact OD1-N 2.96Å; D309-K329 IonicContact OD1-NZ 2.72Å; D309-K329 PolarHBondContact OD1-NZ 3.37Å; D309-K329 IonicContact OD2-NZ 2.67Å
310	K	94.4	Very high	93.3	Very high	127 Å²	127	59.5 Å²	59.5	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-70.5	-46.9	179.5	-177.3	173.6	-177.3	-72.3	0	112.3	D308 L312 E313 E314	D308-K310 VanDerWaalsContact C-N 3.3Å; D308-K310 PolarHBondContact O-N 3.32Å; D308-K310 PolarHBondContact OD1-N 3.23Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.23Å; K310-E313 WeakPolarHBondContact O-CB 3.5Å; K310-E313 PolarHBondContact O-N 3.46Å; K310-E313 VanDerWaalsContact O-N 3.11Å; K310-E314 IonicContact NZ-OE1 3.77Å; K310-E314 PolarHBondContact NZ-OE1 3.4Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 3.37Å
311	R	92.8	Very high	93.2	Very high	122 Å²	122	63.1 Å²	63.1	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-28.1	178.7	-165.6	174.8	-171.3	177.1	5	112.4	I307 D308 A315	I307-R311 HydrophobicContact CG2-CB 4.31Å; D308-R311 VanDerWaalsContact OD1-CB 3.23Å; D308-R311 WeakPolarHBondContact OD1-CB 3.36Å; D308-R311 PolarHBondContact OD1-N 3.02Å; R311-A315 VanDerWaalsContact O-CB 3.3Å; R311-A315 WeakPolarHBondContact O-CB 3.46Å; R311-A315 PolarHBondContact O-N 2.97Å
312	L	94.9	Very high	93.1	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-39.8	169	179.4	62.8	0	0	0	111.8	V300 L303 I307 D308 K310 F316 A325 V327 V341	V300-L312 HydrophobicContact CB-CD1 4.43Å; V300-L312 HydrophobicContact CG1-CD1 4.22Å; V300-L312 HydrophobicContact CG2-CD1 4.42Å; L303-L312 HydrophobicContact CD2-CD1 4.01Å; I307-L312 HydrophobicContact CG2-CB 4.11Å; D308-L312 VanDerWaalsContact O-CB 3.3Å; D308-L312 WeakPolarHBondContact O-CB 3.31Å; D308-L312 PolarHBondContact O-N 3.02Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.23Å; L312-F316 HydrophobicContact CD1-CD2 3.84Å; L312-F316 HydrophobicContact CD1-CE2 3.73Å; L312-F316 WeakPolarHBondContact O-CD2 3.46Å; L312-F316 PolarHBondContact O-N 2.92Å; L312-A325 HydrophobicContact CD2-CB 4.49Å; L312-A325 HydrophobicContact CG-CB 4.37Å; L312-V327 HydrophobicContact CB-CG2 4.25Å; L312-V327 HydrophobicContact CD2-CG2 3.92Å; L312-V341 HydrophobicContact CD1-CG2 3.92Å; L312-V341 HydrophobicContact CD2-CG2 3.96Å; L312-V341 HydrophobicContact CG-CG2 3.75Å
313	E	95.4	Very high	93	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-51.3	176	-164.9	164.7	-162.3	0	0	111.7	D309 K310 A315 F316 S317 I322 A325	D309-E313 PolarHBondContact O-N 3.45Å; K310-E313 WeakPolarHBondContact O-CB 3.5Å; K310-E313 PolarHBondContact O-N 3.46Å; K310-E313 VanDerWaalsContact O-N 3.11Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.06Å; E313-F316 PolarHBondContact O-N 2.99Å; E313-F316 VanDerWaalsContact O-N 3.12Å; E313-S317 WeakPolarHBondContact O-CB 3.31Å; E313-S317 PolarHBondContact O-N 3.36Å; E313-I322 HydrophobicContact CG-CB 4.4Å; E313-I322 HydrophobicContact CG-CD1 3.93Å; E313-I322 HydrophobicContact CG-CG2 4.21Å; E313-I322 VanDerWaalsContact O-CD1 3.3Å; E313-I322 WeakPolarHBondContact O-CD1 3.24Å; E313-A325 HydrophobicContact CB-CB 3.72Å; E313-A325 HydrophobicContact CG-CB 4.11Å
314	E	94	Very high	92.8	Very high	100 Å²	100	63.2 Å²	63.2	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-55.8	-41.4	176.7	-71.8	169.7	169.1	0	0	112.6	K310 F316 S317	K310-E314 IonicContact NZ-OE1 3.77Å; K310-E314 PolarHBondContact NZ-OE1 3.4Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 3.37Å; E314-F316 VanDerWaalsContact C-N 3.31Å; E314-F316 PolarHBondContact O-N 3.02Å; E314-S317 PolarHBondContact O-OG 3.31Å
315	A	93	Very high	93	Very high	23 Å²	23	62.9 Å²	62.9	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-32.3	179.2	0	0	0	0	0	113.3	R311 E313 M356 I361	R311-A315 VanDerWaalsContact O-CB 3.3Å; R311-A315 WeakPolarHBondContact O-CB 3.46Å; R311-A315 PolarHBondContact O-N 2.97Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.06Å; A315-M356 HydrophobicContact CB-CE 4.16Å; A315-M356 WeakPolarHBondContact O-CE 3.36Å; A315-I361 HydrophobicContact CB-CD1 3.64Å
316	F	95.4	Very high	93.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-99.3	-15.5	-176.1	-82.3	-101.5	0	0	0	113.7	L298 V300 L312 E313 E314 V318 H319 I322 V341 F343 A352 M356 L366 V368	L298-F316 HydrophobicContact CD1-CE1 4.31Å; V300-F316 HydrophobicContact CB-CZ 4.49Å; V300-F316 HydrophobicContact CG1-CE2 4.18Å; V300-F316 HydrophobicContact CG1-CZ 4.05Å; V300-F316 HydrophobicContact CG2-CE1 4.08Å; V300-F316 HydrophobicContact CG2-CE2 4.03Å; V300-F316 HydrophobicContact CG2-CZ 3.56Å; L312-F316 HydrophobicContact CD1-CD2 3.84Å; L312-F316 HydrophobicContact CD1-CE2 3.73Å; L312-F316 WeakPolarHBondContact O-CD2 3.46Å; L312-F316 PolarHBondContact O-N 2.92Å; E313-F316 PolarHBondContact O-N 2.99Å; E313-F316 VanDerWaalsContact O-N 3.12Å; E314-F316 VanDerWaalsContact C-N 3.31Å; E314-F316 PolarHBondContact O-N 3.02Å; F316-V318 PolarHBondContact O-N 3.08Å; F316-V318 VanDerWaalsContact O-N 3.1Å; F316-H319 PolarHBondContact O-N 3.18Å; F316-H319 VanDerWaalsContact O-N 3.1Å; F316-I322 HydrophobicContact CB-CD1 3.74Å; F316-V341 HydrophobicContact CB-CG1 3.97Å; F316-V341 HydrophobicContact CB-CG2 4.45Å; F316-V341 HydrophobicContact CD1-CB 4.5Å; F316-V341 HydrophobicContact CD1-CG1 4.33Å; F316-V341 HydrophobicContact CD1-CG2 4.4Å; F316-V341 HydrophobicContact CD2-CG2 4.17Å; F316-V341 HydrophobicContact CG-CG1 4.22Å; F316-V341 HydrophobicContact CG-CG2 4.08Å; F316-F343 HydrophobicContact CB-CZ 4.13Å; F316-F343 HydrophobicContact CD1-CE2 4.3Å; F316-F343 HydrophobicContact CD1-CZ 4.24Å; F316-A352 HydrophobicContact CD1-CB 4.13Å; F316-A352 HydrophobicContact CE1-CB 4.41Å; F316-M356 HydrophobicContact CD1-CE 4.5Å; F316-M356 HydrophobicContact CD1-CG 4.15Å; F316-M356 HydrophobicContact CD2-CE 3.84Å; F316-M356 HydrophobicContact CE1-CB 3.8Å; F316-M356 HydrophobicContact CE1-CE 4.37Å; F316-M356 HydrophobicContact CE1-CG 3.81Å; F316-M356 HydrophobicContact CE2-CE 3.69Å; F316-M356 HydrophobicContact CG-CE 4.25Å; F316-M356 HydrophobicContact CZ-CB 3.85Å; F316-M356 HydrophobicContact CZ-CE 3.97Å; F316-M356 HydrophobicContact CZ-CG 4.11Å; F316-L366 HydrophobicContact CE2-CD1 4.06Å; F316-L366 HydrophobicContact CZ-CD1 4.27Å; F316-V368 HydrophobicContact CE1-CG1 4.02Å; F316-V368 HydrophobicContact CE1-CG2 4.28Å; F316-V368 HydrophobicContact CZ-CG1 4.34Å; F316-V368 HydrophobicContact CZ-CG2 3.84Å
317	S	94.9	Very high	93.5	Very high	62 Å²	62	57.5 Å²	57.5	43%	0.434	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.2	-24.1	-175.5	62.8	0	0	0	0	113.8	E313 E314 H319 G320	E313-S317 WeakPolarHBondContact O-CB 3.31Å; E313-S317 PolarHBondContact O-N 3.36Å; E314-S317 PolarHBondContact O-OG 3.31Å; S317-H319 PolarHBondContact O-N 3.4Å; S317-G320 PolarHBondContact O-N 3.1Å
318	V	93.7	Very high	93.7	Very high	114 Å²	114	60.4 Å²	60.4	69%	0.691	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19.1	177.5	-59.2	0	0	0	0	113.7	F316	F316-V318 PolarHBondContact O-N 3.08Å; F316-V318 VanDerWaalsContact O-N 3.1Å
319	H	92.8	Very high	93.7	Very high	35 Å²	35	60.8 Å²	60.8	16%	0.162	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-95.6	-9.9	179.2	-58.7	-75.1	0	0	0	114.1	F316 S317 F343 Q348 A352 D355 M356	F316-H319 PolarHBondContact O-N 3.18Å; F316-H319 VanDerWaalsContact O-N 3.1Å; S317-H319 PolarHBondContact O-N 3.4Å; H319-F343 HydrophobicContact CB-CE1 4.18Å; H319-F343 HydrophobicContact CB-CZ 4.08Å; H319-Q348 WeakPolarHBondContact O-CB 3.45Å; H319-Q348 WeakPolarHBondContact O-CG 3.38Å; H319-A352 HydrophobicContact CB-CB 3.8Å; H319-D355 WeakPolarHBondContact CE1-CB 3.21Å; H319-D355 IonicContact CE1-OD2 3.41Å; H319-D355 PolarHBondContact CE1-OD2 2.96Å; H319-D355 IonicContact ND1-OD2 2.73Å; H319-D355 PolarHBondContact ND1-OD2 3.41Å; H319-M356 VanDerWaalsContact NE2-CG 3.3Å; H319-M356 WeakPolarHBondContact NE2-CG 3.07Å; H319-M356 PolarHBondContact NE2-SD 2.92Å; H319-M356 VanDerWaalsContact NE2-SD 3.4Å
320	G	91.2	Very high	93.6	Very high	20 Å²	20	62 Å²	62	21%	0.206	33%	0.331	C	S	.	.	S	Bend	trans	157	-176.4	-178.6	0	0	0	0	0	115.3	S317 I322	S317-G320 PolarHBondContact O-N 3.1Å; G320-I322 PolarHBondContact O-N 3.25Å
321	S	92.7	Very high	93.5	Very high	75 Å²	75	60.4 Å²	60.4	52%	0.524	34%	0.341	S	S	.	.			trans	-76.4	119	179.2	-176.2	0	0	0	0	110	F343 A344	S321-F343 CarbonylContact O-C 3.57Å; S321-F343 WeakPolarHBondContact O-CA 3.47Å; S321-A344 PolarHBondContact O-N 3.23Å
322	I	92.5	Very high	93.3	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.2	175.8	-64.4	172.1	0	0	0	109	E313 F316 G320 S324 A325 V341 F343	E313-I322 HydrophobicContact CG-CB 4.4Å; E313-I322 HydrophobicContact CG-CD1 3.93Å; E313-I322 HydrophobicContact CG-CG2 4.21Å; E313-I322 VanDerWaalsContact O-CD1 3.3Å; E313-I322 WeakPolarHBondContact O-CD1 3.24Å; F316-I322 HydrophobicContact CB-CD1 3.74Å; G320-I322 PolarHBondContact O-N 3.25Å; I322-S324 VanDerWaalsContact CG2-C 3.46Å; I322-A325 HydrophobicContact CG2-CB 4.25Å; I322-V341 HydrophobicContact CD1-CG1 3.9Å; I322-V341 HydrophobicContact CG1-CG1 3.99Å; I322-V341 HydrophobicContact CG2-CG1 4.25Å; I322-F343 HydrophobicContact CG1-CD1 4.2Å; I322-F343 HydrophobicContact CG1-CE1 3.89Å; I322-F343 HydrophobicContact CG1-CZ 4.34Å
323	T	90.7	Very high	93	Very high	90 Å²	90	66.9 Å²	66.9	55%	0.552	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	-23.6	174	58.9	0	0	0	0	112.2	C342 F343 A344	T323-C342 PolarHBondContact N-O 3.14Å; T323-C342 PolarHBondContact OG1-O 2.95Å; T323-F343 PolarHBondContact OG1-O 3.12Å; T323-A344 HydrophobicContact CG2-CB 4.18Å
324	S	90.9	Very high	92.7	Very high	65 Å²	65	72 Å²	72	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	128.1	167.1	-179.6	0	0	0	0	110.9	I322 V341 C342	I322-S324 VanDerWaalsContact CG2-C 3.46Å; S324-V341 WeakPolarHBondContact O-CA 3.26Å; S324-C342 PolarHBondContact N-O 3.28Å; S324-C342 PolarHBondContact O-N 3Å
325	A	94.7	Very high	92.6	Very high	14 Å²	14	68.2 Å²	68.2	12%	0.116	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145	159	0	0	0	0	0	109.8	L312 E313 I322 F340 V341	L312-A325 HydrophobicContact CD2-CB 4.49Å; L312-A325 HydrophobicContact CG-CB 4.37Å; E313-A325 HydrophobicContact CB-CB 3.72Å; E313-A325 HydrophobicContact CG-CB 4.11Å; I322-A325 HydrophobicContact CG2-CB 4.25Å; A325-F340 CarbonylContact C-O 3.45Å; A325-F340 WeakPolarHBondContact CA-O 3.23Å; A325-V341 HydrophobicContact CB-CG2 4.36Å
326	K	95.3	Very high	92.6	Very high	116 Å²	116	72.3 Å²	72.3	50%	0.504	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	125.9	175.3	-172.5	159.2	-171.4	156.7	0	113.7	G339 F340	K326-G339 CarbonylContact O-C 3.59Å; K326-G339 WeakPolarHBondContact O-CA 3.28Å; K326-F340 PolarHBondContact N-O 3.01Å; K326-F340 PolarHBondContact O-N 3.21Å
327	V	95.9	Very high	92.5	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.006	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132	167.9	-177.5	0	0	0	0	109.3	L303 D308 D309 L312 K329 S335	L303-V327 HydrophobicContact CD1-CB 4.45Å; L303-V327 HydrophobicContact CD1-CG1 3.99Å; L303-V327 HydrophobicContact CD1-CG2 3.89Å; D308-V327 VanDerWaalsContact C-CG2 3.5Å; D308-V327 WeakPolarHBondContact O-CG2 3.5Å; D309-V327 WeakPolarHBondContact OD1-CA 3.38Å; D309-V327 VanDerWaalsContact OD1-CB 3.29Å; D309-V327 WeakPolarHBondContact OD1-CB 3.28Å; D309-V327 PolarHBondContact OD1-N 2.96Å; L312-V327 HydrophobicContact CB-CG2 4.25Å; L312-V327 HydrophobicContact CD2-CG2 3.92Å; V327-K329 PolarHBondContact O-N 3.1Å; V327-S335 WeakPolarHBondContact CG1-OG 3.28Å
328	M	94.3	Very high	92.5	Very high	68 Å²	68	72.6 Å²	72.6	34%	0.335	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.6	175.4	-67.6	-58	-58.5	0	0	109.1	K336 F338 F340	M328-K336 VanDerWaalsContact O-CB 3.24Å; M328-K336 WeakPolarHBondContact O-CB 3.36Å; M328-K336 VanDerWaalsContact O-CG 3.32Å; M328-K336 WeakPolarHBondContact O-CG 3.21Å; M328-K336 PolarHBondContact O-N 3.01Å; M328-F338 HydrophobicContact CB-CD1 4.49Å; M328-F338 HydrophobicContact CB-CD2 4.09Å; M328-F338 HydrophobicContact CB-CE1 4.12Å; M328-F338 HydrophobicContact CB-CE2 3.72Å; M328-F338 HydrophobicContact CB-CG 4.48Å; M328-F338 HydrophobicContact CB-CZ 3.72Å; M328-F338 WeakPolarHBondContact CB-O 3.23Å; M328-F338 HydrophobicContact CG-CD2 3.93Å; M328-F338 HydrophobicContact CG-CE2 3.45Å; M328-F338 VanDerWaalsContact CG-CE2 3.45Å; M328-F338 HydrophobicContact CG-CZ 3.89Å; M328-F338 PolarHBondContact N-O 3.2Å; M328-F340 HydrophobicContact CG-CD2 4.13Å; M328-F340 HydrophobicContact CG-CE2 3.96Å; M328-F340 HydrophobicContact SD-CD2 4.39Å; M328-F340 HydrophobicContact SD-CE2 4.35Å
329	K	94.2	Very high	92.5	Very high	81 Å²	81	67.1 Å²	67.1	35%	0.352	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	155.2	179	-66.2	163.8	-174.9	161.3	0	110.6	D309 V327 R334	D309-K329 IonicContact OD1-NZ 2.72Å; D309-K329 PolarHBondContact OD1-NZ 3.37Å; D309-K329 IonicContact OD2-NZ 2.67Å; V327-K329 PolarHBondContact O-N 3.1Å; K329-R334 CarbonylContact C-O 3.58Å; K329-R334 VanDerWaalsContact CA-O 3.24Å; K329-R334 WeakPolarHBondContact CA-O 3.32Å
330	D	91.1	Very high	92.7	Very high	77 Å²	77	68.3 Å²	68.3	41%	0.412	37%	0.369	S	S	.	.			trans	-88.8	178.5	176.3	-156.6	54.6	0	0	0	112	N332 N333 R334 K336	D330-N332 PolarHBondContact O-N 3.07Å; D330-N332 VanDerWaalsContact O-N 3.12Å; D330-N333 WeakPolarHBondContact O-CA 3.13Å; D330-N333 PolarHBondContact O-N 3.05Å; D330-R334 PolarHBondContact N-O 3.19Å; D330-K336 HydrophobicContact CB-CD 3.98Å; D330-K336 HydrophobicContact CB-CG 3.93Å; D330-K336 WeakPolarHBondContact OD1-CE 3.44Å; D330-K336 IonicContact OD1-NZ 2.8Å; D330-K336 PolarHBondContact OD1-NZ 3.41Å
331	A	92.4	Very high	92.8	Very high	92 Å²	92	67.4 Å²	67.4	76%	0.76	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.7	-179.9	0	0	0	0	0	112.8	N333	A331-N333 PolarHBondContact O-N 3.49Å
332	N	90.2	Very high	92.8	Very high	126 Å²	126	64.9 Å²	64.9	67%	0.674	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	21.4	177.3	-61.1	-12.9	0	0	0	113.3	D330 R334	D330-N332 PolarHBondContact O-N 3.07Å; D330-N332 VanDerWaalsContact O-N 3.12Å; N332-R334 PolarHBondContact O-N 3.15Å
333	N	88.7	Confident	92.8	Very high	134 Å²	134	63.8 Å²	63.8	72%	0.717	34%	0.336	S	S	*	.	S	Bend	trans	56.9	-1.4	-176.4	-79.1	-39.6	0	0	0	117.6	D330 A331	D330-N333 WeakPolarHBondContact O-CA 3.13Å; D330-N333 PolarHBondContact O-N 3.05Å; A331-N333 PolarHBondContact O-N 3.49Å
334	R	88.8	Confident	92.7	Very high	194 Å²	194	61.6 Å²	61.6	73%	0.732	33%	0.327	S	S	*	.			trans	-67	144.6	174.6	-60.2	-175	-174.5	-177.7	0.6	111.4	K329 D330 N332	K329-R334 CarbonylContact C-O 3.58Å; K329-R334 VanDerWaalsContact CA-O 3.24Å; K329-R334 WeakPolarHBondContact CA-O 3.32Å; D330-R334 PolarHBondContact N-O 3.19Å; N332-R334 PolarHBondContact O-N 3.15Å
335	S	92.3	Very high	92.6	Very high	21 Å²	21	62.1 Å²	62.1	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.8	173.5	-179.1	0	0	0	0	111.1	V327 G337	V327-S335 WeakPolarHBondContact CG1-OG 3.28Å; S335-G337 VanDerWaalsContact C-N 3.27Å; S335-G337 PolarHBondContact OG-N 3.33Å; S335-G337 VanDerWaalsContact OG-N 3.16Å
336	K	93	Very high	92.4	Very high	109 Å²	109	64 Å²	64	47%	0.474	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	12.9	171.7	-55.7	-172.9	74.3	142.3	0	112.2	M328 D330 F338	M328-K336 VanDerWaalsContact O-CB 3.24Å; M328-K336 WeakPolarHBondContact O-CB 3.36Å; M328-K336 VanDerWaalsContact O-CG 3.32Å; M328-K336 WeakPolarHBondContact O-CG 3.21Å; M328-K336 PolarHBondContact O-N 3.01Å; D330-K336 HydrophobicContact CB-CD 3.98Å; D330-K336 HydrophobicContact CB-CG 3.93Å; D330-K336 WeakPolarHBondContact OD1-CE 3.44Å; D330-K336 IonicContact OD1-NZ 2.8Å; D330-K336 PolarHBondContact OD1-NZ 3.41Å; K336-F338 VanDerWaalsContact C-N 3.26Å; K336-F338 HydrophobicContact CB-CD1 3.95Å; K336-F338 HydrophobicContact CB-CE1 3.82Å; K336-F338 WeakPolarHBondContact O-CD1 3.26Å; K336-F338 PolarHBondContact O-N 2.92Å
337	G	92.2	Very high	92.2	Very high	17 Å²	17	63.6 Å²	63.6	18%	0.175	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.4	14.7	-179.7	0	0	0	0	0	114.5	K301 N302 L303 S335	K301-G337 CarbonylContact C-O 3.47Å; N302-G337 PolarHBondContact N-O 3.49Å; L303-G337 PolarHBondContact N-O 2.9Å; L303-G337 VanDerWaalsContact N-O 3.13Å; S335-G337 VanDerWaalsContact C-N 3.27Å; S335-G337 PolarHBondContact OG-N 3.33Å; S335-G337 VanDerWaalsContact OG-N 3.16Å
338	F	94.8	Very high	92.1	Very high	50 Å²	50	65.7 Å²	65.7	22%	0.219	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.6	176.2	79.3	-88.5	0	0	0	112.4	Y299 V300 K301 M328 K336 F340	Y299-F338 HydrophobicContact CD2-CD2 4.17Å; Y299-F338 HydrophobicContact CE2-CB 4.15Å; Y299-F338 AromaticContact CE2-CD2 3.48Å; Y299-F338 HydrophobicContact CE2-CD2 3.48Å; Y299-F338 VanDerWaalsContact CE2-CD2 3.48Å; Y299-F338 HydrophobicContact CE2-CE2 4.07Å; Y299-F338 HydrophobicContact CE2-CG 4.01Å; V300-F338 CarbonylContact O-C 3.47Å; V300-F338 WeakPolarHBondContact O-CA 3.43Å; V300-F338 VanDerWaalsContact O-CB 3.29Å; V300-F338 WeakPolarHBondContact O-CB 3.3Å; K301-F338 HydrophobicContact CB-CB 4.23Å; K301-F338 HydrophobicContact CG-CB 4.06Å; M328-F338 HydrophobicContact CB-CD1 4.49Å; M328-F338 HydrophobicContact CB-CD2 4.09Å; M328-F338 HydrophobicContact CB-CE1 4.12Å; M328-F338 HydrophobicContact CB-CE2 3.72Å; M328-F338 HydrophobicContact CB-CG 4.48Å; M328-F338 HydrophobicContact CB-CZ 3.72Å; M328-F338 WeakPolarHBondContact CB-O 3.23Å; M328-F338 HydrophobicContact CG-CD2 3.93Å; M328-F338 HydrophobicContact CG-CE2 3.45Å; M328-F338 VanDerWaalsContact CG-CE2 3.45Å; M328-F338 HydrophobicContact CG-CZ 3.89Å; M328-F338 PolarHBondContact N-O 3.2Å; K336-F338 VanDerWaalsContact C-N 3.26Å; K336-F338 HydrophobicContact CB-CD1 3.95Å; K336-F338 HydrophobicContact CB-CE1 3.82Å; K336-F338 WeakPolarHBondContact O-CD1 3.26Å; K336-F338 PolarHBondContact O-N 2.92Å; F338-F340 HydrophobicContact CD2-CE2 4.36Å; F338-F340 AromaticContact CE2-CE2 3.99Å; F338-F340 HydrophobicContact CE2-CE2 3.99Å; F338-F340 HydrophobicContact CE2-CZ 4.39Å
339	G	94.9	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-172.1	179.4	0	0	0	0	0	112	V300 K326	V300-G339 PolarHBondContact N-O 2.99Å; V300-G339 PolarHBondContact O-N 3.48Å; K326-G339 CarbonylContact O-C 3.59Å; K326-G339 WeakPolarHBondContact O-CA 3.28Å
340	F	95	Very high	91.9	Very high	60 Å²	60	61.1 Å²	61.1	26%	0.263	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.8	175.4	-63.7	-87.7	0	0	0	110.7	L298 Y299 A325 K326 M328 F338 A371	L298-F340 CarbonylContact O-C 3.54Å; L298-F340 WeakPolarHBondContact O-CA 3.46Å; Y299-F340 HydrophobicContact CD2-CD1 4.44Å; Y299-F340 AromaticContact CD2-CE1 3.78Å; Y299-F340 HydrophobicContact CD2-CE1 3.78Å; Y299-F340 AromaticContact CD2-CZ 3.94Å; Y299-F340 HydrophobicContact CD2-CZ 3.94Å; Y299-F340 HydrophobicContact CG-CE1 4.46Å; A325-F340 CarbonylContact C-O 3.45Å; A325-F340 WeakPolarHBondContact CA-O 3.23Å; K326-F340 PolarHBondContact N-O 3.01Å; K326-F340 PolarHBondContact O-N 3.21Å; M328-F340 HydrophobicContact CG-CD2 4.13Å; M328-F340 HydrophobicContact CG-CE2 3.96Å; M328-F340 HydrophobicContact SD-CD2 4.39Å; M328-F340 HydrophobicContact SD-CE2 4.35Å; F338-F340 HydrophobicContact CD2-CE2 4.36Å; F338-F340 AromaticContact CE2-CE2 3.99Å; F338-F340 HydrophobicContact CE2-CE2 3.99Å; F338-F340 HydrophobicContact CE2-CZ 4.39Å; F340-A371 HydrophobicContact CD1-CB 3.98Å; F340-A371 HydrophobicContact CE1-CB 4.02Å
341	V	94.8	Very high	92	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.8	173.4	-179.3	0	0	0	0	108.2	L298 V300 L312 F316 I322 S324 A325 F343	L298-V341 WeakPolarHBondContact CB-O 3.38Å; L298-V341 PolarHBondContact N-O 3.32Å; L298-V341 PolarHBondContact O-N 2.85Å; V300-V341 HydrophobicContact CG2-CG2 4.04Å; L312-V341 HydrophobicContact CD1-CG2 3.92Å; L312-V341 HydrophobicContact CD2-CG2 3.96Å; L312-V341 HydrophobicContact CG-CG2 3.75Å; F316-V341 HydrophobicContact CB-CG1 3.97Å; F316-V341 HydrophobicContact CB-CG2 4.45Å; F316-V341 HydrophobicContact CD1-CB 4.5Å; F316-V341 HydrophobicContact CD1-CG1 4.33Å; F316-V341 HydrophobicContact CD1-CG2 4.4Å; F316-V341 HydrophobicContact CD2-CG2 4.17Å; F316-V341 HydrophobicContact CG-CG1 4.22Å; F316-V341 HydrophobicContact CG-CG2 4.08Å; I322-V341 HydrophobicContact CD1-CG1 3.9Å; I322-V341 HydrophobicContact CG1-CG1 3.99Å; I322-V341 HydrophobicContact CG2-CG1 4.25Å; S324-V341 WeakPolarHBondContact O-CA 3.26Å; A325-V341 HydrophobicContact CB-CG2 4.36Å; V341-F343 HydrophobicContact CG1-CD2 4.32Å; V341-F343 HydrophobicContact CG1-CE2 3.86Å; V341-F343 HydrophobicContact CG1-CZ 4.21Å
342	C	91.8	Very high	92.1	Very high	23 Å²	23	60.8 Å²	60.8	16%	0.155	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	178.7	-163.1	0	0	0	0	109.4	N297 T323 S324	N297-C342 HydrophobicContact CB-CB 4.44Å; T323-C342 PolarHBondContact N-O 3.14Å; T323-C342 PolarHBondContact OG1-O 2.95Å; S324-C342 PolarHBondContact N-O 3.28Å; S324-C342 PolarHBondContact O-N 3Å
343	F	92.8	Very high	92.4	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	170.1	172.7	-74.6	-84.7	0	0	0	111.3	V296 L298 F316 H319 S321 I322 T323 V341 Q348 A349 A352	V296-F343 PolarHBondContact O-N 2.85Å; L298-F343 HydrophobicContact CD1-CD2 4.24Å; L298-F343 HydrophobicContact CD1-CE2 3.79Å; L298-F343 HydrophobicContact CG-CD2 4.41Å; L298-F343 HydrophobicContact CG-CE2 4.4Å; F316-F343 HydrophobicContact CB-CZ 4.13Å; F316-F343 HydrophobicContact CD1-CE2 4.3Å; F316-F343 HydrophobicContact CD1-CZ 4.24Å; H319-F343 HydrophobicContact CB-CE1 4.18Å; H319-F343 HydrophobicContact CB-CZ 4.08Å; S321-F343 CarbonylContact O-C 3.57Å; S321-F343 WeakPolarHBondContact O-CA 3.47Å; I322-F343 HydrophobicContact CG1-CD1 4.2Å; I322-F343 HydrophobicContact CG1-CE1 3.89Å; I322-F343 HydrophobicContact CG1-CZ 4.34Å; T323-F343 PolarHBondContact OG1-O 3.12Å; V341-F343 HydrophobicContact CG1-CD2 4.32Å; V341-F343 HydrophobicContact CG1-CE2 3.86Å; V341-F343 HydrophobicContact CG1-CZ 4.21Å; F343-Q348 HydrophobicContact CB-CB 4.09Å; F343-Q348 HydrophobicContact CD1-CB 3.74Å; F343-Q348 HydrophobicContact CE1-CB 4.43Å; F343-Q348 HydrophobicContact CG-CB 3.98Å; F343-A349 HydrophobicContact CB-CB 4.3Å; F343-A349 HydrophobicContact CD2-CB 3.96Å; F343-A349 HydrophobicContact CG-CB 4.45Å; F343-A352 HydrophobicContact CE2-CB 3.57Å; F343-A352 HydrophobicContact CZ-CB 3.69Å
344	A	89	Confident	92.6	Very high	44 Å²	44	55.3 Å²	55.3	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-72.6	-40.6	167.4	0	0	0	0	0	111.6	S321 T323	S321-A344 PolarHBondContact O-N 3.23Å; T323-A344 HydrophobicContact CG2-CB 4.18Å
345	N	88.7	Confident	92.9	Very high	76 Å²	76	50.1 Å²	50.1	41%	0.406	27%	0.269	S	S	.	.	S	Bend	trans	-123.2	143.5	-169.3	-65.8	26.6	0	0	0	112.3	E347 Q348 A349	N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 WeakPolarHBondContact CB-OE2 3.26Å; N345-E347 PolarHBondContact O-N 3.29Å; N345-Q348 HydrophobicContact CB-CG 4.11Å; N345-Q348 PolarHBondContact O-N 3.09Å; N345-A349 PolarHBondContact O-N 2.94Å
346	P	89.8	Confident	93	Very high	52 Å²	52	49.8 Å²	49.8	34%	0.338	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-28.4	-179.5	23.3	-30.5	0	0	0	113.5	Q348 A349 A350	P346-Q348 VanDerWaalsContact C-N 3.34Å; P346-A349 PolarHBondContact O-N 3.4Å; P346-A350 WeakPolarHBondContact O-CB 3.38Å; P346-A350 PolarHBondContact O-N 3.41Å
347	E	90.9	Very high	93	Very high	109 Å²	109	48.3 Å²	48.3	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.6	-57.3	72.4	-156.7	0	0	111.5	N345 R351	N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 WeakPolarHBondContact CB-OE2 3.26Å; N345-E347 PolarHBondContact O-N 3.29Å; E347-R351 VanDerWaalsContact O-CG 3.29Å; E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.89Å; E347-R351 VanDerWaalsContact O-N 3.07Å
348	Q	93.4	Very high	93	Very high	45 Å²	45	49.7 Å²	49.7	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-44.4	175.3	-64.7	172.6	-1.7	0	0	110.2	H319 F343 N345 P346 A350 R351 A352	H319-Q348 WeakPolarHBondContact O-CB 3.45Å; H319-Q348 WeakPolarHBondContact O-CG 3.38Å; F343-Q348 HydrophobicContact CB-CB 4.09Å; F343-Q348 HydrophobicContact CD1-CB 3.74Å; F343-Q348 HydrophobicContact CE1-CB 4.43Å; F343-Q348 HydrophobicContact CG-CB 3.98Å; N345-Q348 HydrophobicContact CB-CG 4.11Å; N345-Q348 PolarHBondContact O-N 3.09Å; P346-Q348 VanDerWaalsContact C-N 3.34Å; Q348-A350 PolarHBondContact O-N 3.4Å; Q348-R351 PolarHBondContact O-N 2.92Å; Q348-A352 WeakPolarHBondContact O-CB 3.43Å; Q348-A352 PolarHBondContact O-N 2.85Å
349	A	92.8	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-42.5	174.2	0	0	0	0	0	112.4	L298 F343 N345 P346 A352 V353	L298-A349 HydrophobicContact CD2-CB 3.92Å; L298-A349 HydrophobicContact CG-CB 4.37Å; F343-A349 HydrophobicContact CB-CB 4.3Å; F343-A349 HydrophobicContact CD2-CB 3.96Å; F343-A349 HydrophobicContact CG-CB 4.45Å; N345-A349 PolarHBondContact O-N 2.94Å; P346-A349 PolarHBondContact O-N 3.4Å; A349-A352 PolarHBondContact O-N 3.48Å; A349-V353 WeakPolarHBondContact O-CG2 3.33Å; A349-V353 PolarHBondContact O-N 3.4Å
350	A	91.9	Very high	92.8	Very high	52 Å²	52	55.3 Å²	55.3	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-66.2	-40.7	178.5	0	0	0	0	0	113.1	P346 Q348 V353 T354	P346-A350 WeakPolarHBondContact O-CB 3.38Å; P346-A350 PolarHBondContact O-N 3.41Å; Q348-A350 PolarHBondContact O-N 3.4Å; A350-V353 PolarHBondContact O-N 2.95Å; A350-T354 PolarHBondContact O-N 3.28Å; A350-T354 PolarHBondContact O-OG1 3.36Å
351	R	94	Very high	92.3	Very high	163 Å²	163	54.1 Å²	54.1	62%	0.615	31%	0.306	S	S	*	.	H	α-helix	trans	-61	-51.8	171.7	-71.4	171.1	-172.6	-169.7	1.8	111	E347 Q348 V353 T354 D355	E347-R351 VanDerWaalsContact O-CG 3.29Å; E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.89Å; E347-R351 VanDerWaalsContact O-N 3.07Å; Q348-R351 PolarHBondContact O-N 2.92Å; R351-V353 VanDerWaalsContact C-N 3.29Å; R351-V353 PolarHBondContact O-N 2.86Å; R351-T354 WeakPolarHBondContact O-CA 3.36Å; R351-T354 WeakPolarHBondContact O-CB 3.44Å; R351-T354 PolarHBondContact O-N 3.26Å; R351-D355 VanDerWaalsContact O-CG 3.23Å; R351-D355 PolarHBondContact O-N 2.65Å
352	A	95.2	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-34.7	177.1	0	0	0	0	0	113.8	L298 F316 H319 F343 Q348 A349 T354 M356	L298-A352 HydrophobicContact CD1-CB 3.73Å; F316-A352 HydrophobicContact CD1-CB 4.13Å; F316-A352 HydrophobicContact CE1-CB 4.41Å; H319-A352 HydrophobicContact CB-CB 3.8Å; F343-A352 HydrophobicContact CE2-CB 3.57Å; F343-A352 HydrophobicContact CZ-CB 3.69Å; Q348-A352 WeakPolarHBondContact O-CB 3.43Å; Q348-A352 PolarHBondContact O-N 2.85Å; A349-A352 PolarHBondContact O-N 3.48Å; A352-T354 VanDerWaalsContact C-N 3.31Å; A352-M356 WeakPolarHBondContact O-CB 3.27Å; A352-M356 PolarHBondContact O-N 3.05Å
353	V	94.4	Very high	91.6	Very high	36 Å²	36	59.6 Å²	59.6	22%	0.218	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-34	171.7	169.2	0	0	0	0	112.3	L298 A349 A350 R351 N357 V368 L370	L298-V353 HydrophobicContact CD1-CG2 3.92Å; L298-V353 HydrophobicContact CD2-CG2 3.36Å; L298-V353 HydrophobicContact CG-CG2 4.24Å; A349-V353 WeakPolarHBondContact O-CG2 3.33Å; A349-V353 PolarHBondContact O-N 3.4Å; A350-V353 PolarHBondContact O-N 2.95Å; R351-V353 VanDerWaalsContact C-N 3.29Å; R351-V353 PolarHBondContact O-N 2.86Å; V353-N357 WeakPolarHBondContact O-CB 3.5Å; V353-V368 HydrophobicContact CG2-CG1 4.15Å; V353-L370 HydrophobicContact CG2-CD2 4.37Å
354	T	93.9	Very high	91.5	Very high	108 Å²	108	61.6 Å²	61.6	66%	0.663	36%	0.361	S	S	*	.	H	α-helix	trans	-78.2	-45.3	-178.3	-53.9	0	0	0	0	110.7	A350 R351 A352	A350-T354 PolarHBondContact O-N 3.28Å; A350-T354 PolarHBondContact O-OG1 3.36Å; R351-T354 WeakPolarHBondContact O-CA 3.36Å; R351-T354 WeakPolarHBondContact O-CB 3.44Å; R351-T354 PolarHBondContact O-N 3.26Å; A352-T354 VanDerWaalsContact C-N 3.31Å
355	D	94.2	Very high	91.8	Very high	85 Å²	85	62.7 Å²	62.7	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-84.4	-39.3	-170.5	-55.6	-24	0	0	0	112.6	H319 R351 T359	H319-D355 WeakPolarHBondContact CE1-CB 3.21Å; H319-D355 IonicContact CE1-OD2 3.41Å; H319-D355 PolarHBondContact CE1-OD2 2.96Å; H319-D355 IonicContact ND1-OD2 2.73Å; H319-D355 PolarHBondContact ND1-OD2 3.41Å; R351-D355 VanDerWaalsContact O-CG 3.23Å; R351-D355 PolarHBondContact O-N 2.65Å; D355-T359 WeakPolarHBondContact O-CG2 3.49Å
356	M	94.6	Very high	92.1	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.069	35%	0.346	C	S	.	.	S	Bend	trans	-89.8	-16.6	-174	-61.5	-70.2	-80.7	0	0	113.9	A315 F316 H319 A352 G358 T359 I361 L366 V368	A315-M356 HydrophobicContact CB-CE 4.16Å; A315-M356 WeakPolarHBondContact O-CE 3.36Å; F316-M356 HydrophobicContact CD1-CE 4.5Å; F316-M356 HydrophobicContact CD1-CG 4.15Å; F316-M356 HydrophobicContact CD2-CE 3.84Å; F316-M356 HydrophobicContact CE1-CB 3.8Å; F316-M356 HydrophobicContact CE1-CE 4.37Å; F316-M356 HydrophobicContact CE1-CG 3.81Å; F316-M356 HydrophobicContact CE2-CE 3.69Å; F316-M356 HydrophobicContact CG-CE 4.25Å; F316-M356 HydrophobicContact CZ-CB 3.85Å; F316-M356 HydrophobicContact CZ-CE 3.97Å; F316-M356 HydrophobicContact CZ-CG 4.11Å; H319-M356 VanDerWaalsContact NE2-CG 3.3Å; H319-M356 WeakPolarHBondContact NE2-CG 3.07Å; H319-M356 PolarHBondContact NE2-SD 2.92Å; H319-M356 VanDerWaalsContact NE2-SD 3.4Å; A352-M356 WeakPolarHBondContact O-CB 3.27Å; A352-M356 PolarHBondContact O-N 3.05Å; M356-G358 PolarHBondContact O-N 3.48Å; M356-T359 PolarHBondContact O-N 3.21Å; M356-T359 VanDerWaalsContact O-N 3.12Å; M356-T359 PolarHBondContact O-OG1 2.97Å; M356-T359 HydrophobicContact SD-CG2 4.39Å; M356-I361 HydrophobicContact CE-CD1 3.77Å; M356-L366 HydrophobicContact CE-CD1 4.5Å; M356-V368 HydrophobicContact CB-CG2 3.96Å
357	N	94.3	Very high	92.4	Very high	78 Å²	78	62.6 Å²	62.6	42%	0.417	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	111.6	-178.9	-176.2	53.5	0	0	0	111	V353 Y367 V368	V353-N357 WeakPolarHBondContact O-CB 3.5Å; N357-Y367 WeakPolarHBondContact OD1-CA 3.32Å; N357-V368 HydrophobicContact CB-CB 4.03Å; N357-V368 PolarHBondContact OD1-N 3.41Å; N357-V368 PolarHBondContact OD1-O 3.47Å
358	G	92.2	Very high	92.6	Very high	46 Å²	46	57.5 Å²	57.5	47%	0.474	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	-10.4	-173.1	0	0	0	0	0	114.6	M356 L366	M356-G358 PolarHBondContact O-N 3.48Å; G358-L366 WeakPolarHBondContact CA-O 3.34Å; G358-L366 PolarHBondContact N-O 2.91Å
359	T	92.6	Very high	92.6	Very high	45 Å²	45	56.3 Å²	56.3	28%	0.276	33%	0.327	S	S	.	.			trans	-64.2	139.9	177.8	58.4	0	0	0	0	111.7	D355 M356 P365 L366	D355-T359 WeakPolarHBondContact O-CG2 3.49Å; M356-T359 PolarHBondContact O-N 3.21Å; M356-T359 VanDerWaalsContact O-N 3.12Å; M356-T359 PolarHBondContact O-OG1 2.97Å; M356-T359 HydrophobicContact SD-CG2 4.39Å; T359-P365 CarbonylContact O-C 3.57Å; T359-P365 WeakPolarHBondContact O-CA 3.34Å; T359-L366 PolarHBondContact O-N 2.86Å
360	I	91.3	Very high	92.5	Very high	124 Å²	124	60 Å²	60	64%	0.636	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.5	178.9	-60.3	173	0	0	0	108.8	G362 K364 P365	I360-G362 WeakPolarHBondContact CG2-O 3.5Å; I360-K364 WeakPolarHBondContact CA-O 3.44Å; I360-P365 HydrophobicContact CG1-CB 4.04Å
361	I	84.8	Confident	92.3	Very high	35 Å²	35	58.3 Å²	58.3	18%	0.179	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.8	174.2	-54.6	-164.1	0	0	0	108.5	I307 A315 M356 K364 L366	I307-I361 HydrophobicContact CD1-CB 4.21Å; I307-I361 HydrophobicContact CD1-CG2 3.78Å; A315-I361 HydrophobicContact CB-CD1 3.64Å; M356-I361 HydrophobicContact CE-CD1 3.77Å; I361-K364 PolarHBondContact N-O 3.34Å; I361-L366 HydrophobicContact CB-CD1 4.5Å; I361-L366 HydrophobicContact CD1-CD1 3.77Å; I361-L366 HydrophobicContact CG1-CD1 4Å; I361-L366 HydrophobicContact CG1-CG 4.31Å
362	G	84.4	Confident	91.8	Very high	49 Å²	49	55.3 Å²	55.3	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-130.2	-163.5	0	0	0	0	0	110.2	I360	I360-G362 WeakPolarHBondContact CG2-O 3.5Å
363	S	88.9	Confident	91.1	Very high	88 Å²	88	58.7 Å²	58.7	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.5	-177.6	61.3	0	0	0	0	115.1	D304	D304-S363 WeakPolarHBondContact OD2-CB 3.43Å; D304-S363 PolarHBondContact OD2-N 3.22Å; D304-S363 PolarHBondContact OD2-OG 3.03Å
364	K	90.8	Very high	90.6	Very high	45 Å²	45	63.2 Å²	63.2	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138	-164.9	-54	-179.4	-159.2	169	0	112.6	N302 L303 D304 D305 I360 I361	N302-K364 VanDerWaalsContact O-CB 3.26Å; N302-K364 WeakPolarHBondContact O-CB 3.38Å; L303-K364 PolarHBondContact O-NZ 2.98Å; L303-K364 VanDerWaalsContact O-NZ 3.15Å; D304-K364 WeakPolarHBondContact OD1-CE 3.5Å; D304-K364 IonicContact OD1-NZ 3.02Å; D305-K364 IonicContact OD1-NZ 2.6Å; D305-K364 PolarHBondContact OD1-NZ 3.38Å; I360-K364 WeakPolarHBondContact CA-O 3.44Å; I361-K364 PolarHBondContact N-O 3.34Å
365	P	94	Very high	89.9	Confident	66 Å²	66	62.3 Å²	62.3	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.2	171.1	29.5	-32.7	0	0	0	110.9	N302 T359 I360	N302-P365 WeakPolarHBondContact CB-O 3.42Å; N302-P365 PolarHBondContact ND2-O 2.72Å; T359-P365 CarbonylContact O-C 3.57Å; T359-P365 WeakPolarHBondContact O-CA 3.34Å; I360-P365 HydrophobicContact CG1-CB 4.04Å
366	L	95.6	Very high	89.3	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	34%	0.337	C	S	.	.			trans	-69.7	147.7	-180	-62.8	-170.5	0	0	0	112.3	V300 L303 F316 M356 G358 T359 I361 V368	V300-L366 HydrophobicContact CG1-CD1 4.16Å; V300-L366 HydrophobicContact CG1-CD2 4.33Å; L303-L366 HydrophobicContact CD2-CD2 3.84Å; F316-L366 HydrophobicContact CE2-CD1 4.06Å; F316-L366 HydrophobicContact CZ-CD1 4.27Å; M356-L366 HydrophobicContact CE-CD1 4.5Å; G358-L366 WeakPolarHBondContact CA-O 3.34Å; G358-L366 PolarHBondContact N-O 2.91Å; T359-L366 PolarHBondContact O-N 2.86Å; I361-L366 HydrophobicContact CB-CD1 4.5Å; I361-L366 HydrophobicContact CD1-CD1 3.77Å; I361-L366 HydrophobicContact CG1-CD1 4Å; I361-L366 HydrophobicContact CG1-CG 4.31Å; L366-V368 HydrophobicContact CB-CG2 4.2Å
367	Y	95	Very high	88.8	Confident	121 Å²	121	64.3 Å²	64.3	48%	0.475	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.9	162.7	170.9	-90.4	0	0	0	108.7	Y299 V300 K301 N357 A369	Y299-Y367 HydrophobicContact CD1-CD1 4.29Å; Y299-Y367 HydrophobicContact CD1-CE1 4.1Å; Y299-Y367 HydrophobicContact CE1-CD1 4.2Å; Y299-Y367 HydrophobicContact CE1-CE1 4.15Å; V300-Y367 CarbonylContact C-O 3.53Å; V300-Y367 WeakPolarHBondContact CA-O 3.37Å; K301-Y367 HydrophobicContact CB-CD1 4.06Å; K301-Y367 PolarHBondContact N-O 3.5Å; K301-Y367 PolarHBondContact O-N 2.91Å; N357-Y367 WeakPolarHBondContact OD1-CA 3.32Å; Y367-A369 HydrophobicContact CE1-CB 3.89Å
368	V	95.9	Very high	88.3	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.9	-175.3	-172.2	0	0	0	0	109.6	L298 V300 F316 V353 M356 N357 L366	L298-V368 HydrophobicContact CB-CG1 4.41Å; L298-V368 HydrophobicContact CD1-CG1 3.87Å; V300-V368 HydrophobicContact CG1-CG2 4.34Å; V300-V368 HydrophobicContact CG2-CG1 4.45Å; F316-V368 HydrophobicContact CE1-CG1 4.02Å; F316-V368 HydrophobicContact CE1-CG2 4.28Å; F316-V368 HydrophobicContact CZ-CG1 4.34Å; F316-V368 HydrophobicContact CZ-CG2 3.84Å; V353-V368 HydrophobicContact CG2-CG1 4.15Å; M356-V368 HydrophobicContact CB-CG2 3.96Å; N357-V368 HydrophobicContact CB-CB 4.03Å; N357-V368 PolarHBondContact OD1-N 3.41Å; N357-V368 PolarHBondContact OD1-O 3.47Å; L366-V368 HydrophobicContact CB-CG2 4.2Å
369	A	92.9	Very high	87.9	Confident	20 Å²	20	67.6 Å²	67.6	17%	0.165	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	164.5	179.2	0	0	0	0	0	111.7	L298 Y299 Y367	L298-A369 CarbonylContact C-O 3.55Å; L298-A369 WeakPolarHBondContact CA-O 3.46Å; Y299-A369 PolarHBondContact N-O 3.05Å; Y299-A369 PolarHBondContact O-N 3.39Å; Y299-A369 VanDerWaalsContact O-N 3.12Å; Y367-A369 HydrophobicContact CE1-CB 3.89Å
370	L	90.7	Very high	87.5	Confident	76 Å²	76	71.5 Å²	71.5	40%	0.398	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.5	173.8	-62.2	178.2	0	0	0	111.8	N295 L298 V353 Q372	N295-L370 HydrophobicContact CB-CD1 4.4Å; N295-L370 HydrophobicContact CB-CD2 4.31Å; N295-L370 WeakPolarHBondContact O-CD2 3.49Å; L298-L370 HydrophobicContact CD2-CD2 3.82Å; V353-L370 HydrophobicContact CG2-CD2 4.37Å; L370-Q372 PolarHBondContact O-N 3.25Å
371	A	88.5	Confident	87.2	Confident	17 Å²	17	70.3 Å²	70.3	14%	0.14	36%	0.356	C	S	.	.			trans	-75.8	93.6	-170.8	0	0	0	0	0	113.6	N297 F340	N297-A371 HydrophobicContact CB-CB 4.11Å; N297-A371 WeakPolarHBondContact O-CB 3.38Å; N297-A371 PolarHBondContact O-N 2.86Å; F340-A371 HydrophobicContact CD1-CB 3.98Å; F340-A371 HydrophobicContact CE1-CB 4.02Å
372	Q	84	Confident	87.2	Confident	100 Å²	100	73.2 Å²	73.2	47%	0.467	37%	0.371	S	S	.	.			trans	-72.1	131.6	174.6	-65.1	168.6	21.9	0	0	112.3	L370 R377	L370-Q372 PolarHBondContact O-N 3.25Å; Q372-R377 HydrophobicContact CB-CB 4.41Å; Q372-R377 PolarHBondContact O-NH2 3.46Å
373	R	80.7	Confident	87.3	Confident	71 Å²	71	74 Å²	74	27%	0.268	36%	0.362	S	S	.	.			trans	-56.5	155.8	172.9	-69.5	172.8	152.9	-167.6	-8.4	112.1	Q289 E375 D376 R377	Q289-R373 VanDerWaalsContact OE1-NH1 3.1Å; R373-E375 VanDerWaalsContact C-N 3.31Å; R373-E375 PolarHBondContact O-N 2.89Å; R373-D376 HydrophobicContact CB-CB 4.39Å; R373-D376 WeakPolarHBondContact CB-OD2 3.5Å; R373-D376 VanDerWaalsContact CD-OD2 3.23Å; R373-D376 WeakPolarHBondContact CD-OD2 3.34Å; R373-D376 PolarHBondContact O-N 3.37Å; R373-R377 WeakPolarHBondContact O-CB 3.28Å; R373-R377 PolarHBondContact O-N 3.39Å
374	K	82.5	Confident	87.3	Confident	132 Å²	132	73.8 Å²	73.8	57%	0.574	35%	0.351	S	S	*	.	H	α-helix	trans	-63.6	-37	-178	-176	-180	-176	179	0	112.2	R378	K374-R378 VanDerWaalsContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CB 3.44Å; K374-R378 WeakPolarHBondContact O-CD 3.39Å; K374-R378 WeakPolarHBondContact O-CG 3.37Å; K374-R378 PolarHBondContact O-N 3.27Å
375	E	80.6	Confident	87	Confident	89 Å²	89	77.3 Å²	77.3	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-72.7	-45.9	-178.1	-66.8	58	-126.5	0	0	110.7	R373 R378 A379	R373-E375 VanDerWaalsContact C-N 3.31Å; R373-E375 PolarHBondContact O-N 2.89Å; E375-R378 WeakPolarHBondContact O-CB 3.36Å; E375-R378 PolarHBondContact O-N 3.05Å; E375-A379 PolarHBondContact O-N 3.35Å
376	D	81.7	Confident	86.6	Confident	64 Å²	64	80.1 Å²	80.1	34%	0.342	38%	0.375	S	S	.	.	H	α-helix	trans	-73.1	-38.4	-176.8	-50.2	-26.9	0	0	0	110.4	R373 R378 A379 K380	R373-D376 HydrophobicContact CB-CB 4.39Å; R373-D376 WeakPolarHBondContact CB-OD2 3.5Å; R373-D376 VanDerWaalsContact CD-OD2 3.23Å; R373-D376 WeakPolarHBondContact CD-OD2 3.34Å; R373-D376 PolarHBondContact O-N 3.37Å; D376-R378 VanDerWaalsContact C-N 3.34Å; D376-R378 PolarHBondContact O-N 3.28Å; D376-A379 PolarHBondContact O-N 3.01Å; D376-K380 PolarHBondContact O-N 2.86Å
377	R	83.5	Confident	86.2	Confident	77 Å²	77	84.6 Å²	84.6	29%	0.291	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-40.2	169.7	-166.4	-171.3	-51.5	-152.8	0.7	111.9	Q372 R373 L381	Q372-R377 HydrophobicContact CB-CB 4.41Å; Q372-R377 PolarHBondContact O-NH2 3.46Å; R373-R377 WeakPolarHBondContact O-CB 3.28Å; R373-R377 PolarHBondContact O-N 3.39Å; R377-L381 HydrophobicContact CG-CD1 4.38Å; R377-L381 WeakPolarHBondContact O-CB 3.29Å; R377-L381 VanDerWaalsContact O-CG 3.27Å; R377-L381 WeakPolarHBondContact O-CG 3.47Å; R377-L381 PolarHBondContact O-N 3.4Å
378	R	83.5	Confident	85.7	Confident	153 Å²	153	85.1 Å²	85.1	58%	0.577	40%	0.397	S	S	*	.	H	α-helix	trans	-65.5	-44.2	173.5	-83.9	171.8	165.2	-163.1	-9.3	111.8	K374 E375 D376 L381 I382	K374-R378 VanDerWaalsContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CB 3.44Å; K374-R378 WeakPolarHBondContact O-CD 3.39Å; K374-R378 WeakPolarHBondContact O-CG 3.37Å; K374-R378 PolarHBondContact O-N 3.27Å; E375-R378 WeakPolarHBondContact O-CB 3.36Å; E375-R378 PolarHBondContact O-N 3.05Å; D376-R378 VanDerWaalsContact C-N 3.34Å; D376-R378 PolarHBondContact O-N 3.28Å; R378-L381 PolarHBondContact O-N 3.39Å; R378-I382 WeakPolarHBondContact O-CB 3.34Å; R378-I382 WeakPolarHBondContact O-CD1 3.24Å; R378-I382 VanDerWaalsContact O-CG1 3.23Å; R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 3.44Å
379	A	84.6	Confident	84.9	Confident	40 Å²	40	90.1 Å²	90.1	33%	0.331	42%	0.422	S	S	.	.	H	α-helix	trans	-59.6	-47	176.9	0	0	0	0	0	111.2	E375 D376 L381 I382 E383	E375-A379 PolarHBondContact O-N 3.35Å; D376-A379 PolarHBondContact O-N 3.01Å; A379-L381 PolarHBondContact O-N 3.02Å; A379-I382 PolarHBondContact O-N 3.05Å; A379-E383 PolarHBondContact O-N 3.22Å
380	K	84.3	Confident	84.2	Confident	126 Å²	126	92.4 Å²	92.4	55%	0.548	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-41	176.9	-170.9	171.2	-177.5	174.5	0	113	D376 E383 E384	D376-K380 PolarHBondContact O-N 2.86Å; K380-E383 PolarHBondContact O-N 3.29Å; K380-E384 WeakPolarHBondContact O-CB 3.02Å; K380-E384 PolarHBondContact O-N 3.41Å
381	L	83.5	Confident	83.2	Confident	100 Å²	100	96 Å²	96	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-34.9	175	-74.4	168.4	0	0	0	112.8	R377 R378 A379 H385	R377-L381 HydrophobicContact CG-CD1 4.38Å; R377-L381 WeakPolarHBondContact O-CB 3.29Å; R377-L381 VanDerWaalsContact O-CG 3.27Å; R377-L381 WeakPolarHBondContact O-CG 3.47Å; R377-L381 PolarHBondContact O-N 3.4Å; R378-L381 PolarHBondContact O-N 3.39Å; A379-L381 PolarHBondContact O-N 3.02Å; L381-H385 VanDerWaalsContact O-CB 3.26Å; L381-H385 WeakPolarHBondContact O-CB 3.2Å; L381-H385 PolarHBondContact O-N 3.41Å
382	I	86.3	Confident	82	Confident	96 Å²	96	104.5 Å²	104.5	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-43.5	174.4	-70.5	163.6	0	0	0	110.3	R378 A379 H385 Q386	R378-I382 WeakPolarHBondContact O-CB 3.34Å; R378-I382 WeakPolarHBondContact O-CD1 3.24Å; R378-I382 VanDerWaalsContact O-CG1 3.23Å; R378-I382 WeakPolarHBondContact O-CG1 3.48Å; R378-I382 PolarHBondContact O-N 3.44Å; A379-I382 PolarHBondContact O-N 3.05Å; I382-H385 PolarHBondContact O-N 3.06Å; I382-Q386 HydrophobicContact CG2-CG 4.43Å; I382-Q386 WeakPolarHBondContact O-CB 3.27Å; I382-Q386 VanDerWaalsContact O-CG 3.26Å; I382-Q386 WeakPolarHBondContact O-CG 3.38Å; I382-Q386 PolarHBondContact O-N 3.2Å
383	E	86.7	Confident	80.8	Confident	65 Å²	65	109.7 Å²	109.7	30%	0.304	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-47.6	175.2	-171.2	-174	176.9	0	0	111.1	A379 K380 H385 Q386 Q387 R592	A379-E383 PolarHBondContact O-N 3.22Å; K380-E383 PolarHBondContact O-N 3.29Å; E383-H385 PolarHBondContact O-N 3.39Å; E383-Q386 PolarHBondContact O-N 3.26Å; E383-Q387 WeakPolarHBondContact O-CB 3.48Å; E383-Q387 VanDerWaalsContact O-CG 3.31Å; E383-Q387 WeakPolarHBondContact O-CG 3.44Å; E383-Q387 PolarHBondContact O-N 3.25Å; E383-Q387 PolarHBondContact OE1-NE2 2.96Å; E383-Q387 VanDerWaalsContact OE1-NE2 3.12Å; E383-R592 IonicContact OE1-CZ 2.73Å; E383-R592 VanDerWaalsContact OE1-CZ 3.23Å; E383-R592 IonicContact OE1-NH1 3.17Å; E383-R592 PolarHBondContact OE1-NH1 2.9Å; E383-R592 IonicContact OE1-NH2 3.38Å; E383-R592 PolarHBondContact OE1-NH2 3.49Å
384	E	87.4	Confident	79.2	Confident	84 Å²	84	113.3 Å²	113.3	39%	0.393	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-41.5	177.6	-164	-161.1	133.4	0	0	111.8	K380 Q387 R388	K380-E384 WeakPolarHBondContact O-CB 3.02Å; K380-E384 PolarHBondContact O-N 3.41Å; E384-Q387 PolarHBondContact O-N 2.91Å; E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.49Å; E384-R388 PolarHBondContact O-N 3.19Å; E384-R388 IonicContact OE1-CZ 3.2Å; E384-R388 IonicContact OE1-NH2 2.66Å; E384-R388 PolarHBondContact OE1-NH2 2.9Å
385	H	84.4	Confident	77.4	Confident	118 Å²	118	111.4 Å²	111.4	55%	0.546	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-40.8	175.4	-177.6	66.1	0	0	0	112	L381 I382 E383 R388 M389	L381-H385 VanDerWaalsContact O-CB 3.26Å; L381-H385 WeakPolarHBondContact O-CB 3.2Å; L381-H385 PolarHBondContact O-N 3.41Å; I382-H385 PolarHBondContact O-N 3.06Å; E383-H385 PolarHBondContact O-N 3.39Å; H385-R388 PolarHBondContact O-N 2.87Å; H385-M389 WeakPolarHBondContact O-CB 3.48Å; H385-M389 VanDerWaalsContact O-CG 3.26Å; H385-M389 WeakPolarHBondContact O-CG 3.32Å; H385-M389 PolarHBondContact O-N 2.92Å
386	Q	86.2	Confident	75.5	Confident	125 Å²	125	115 Å²	115	58%	0.584	55%	0.553	S	S	*	*	H	α-helix	trans	-64.9	-42.8	175.2	-75.2	174.4	0.1	0	0	112.1	I382 E383 M389 A390	I382-Q386 HydrophobicContact CG2-CG 4.43Å; I382-Q386 WeakPolarHBondContact O-CB 3.27Å; I382-Q386 VanDerWaalsContact O-CG 3.26Å; I382-Q386 WeakPolarHBondContact O-CG 3.38Å; I382-Q386 PolarHBondContact O-N 3.2Å; E383-Q386 PolarHBondContact O-N 3.26Å; Q386-M389 PolarHBondContact O-N 3.3Å; Q386-A390 WeakPolarHBondContact O-CB 3.43Å; Q386-A390 PolarHBondContact O-N 3.16Å
387	Q	86.7	Confident	73.7	Confident	99 Å²	99	116.1 Å²	116.1	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-61.4	-44.7	174.2	-72.2	175.7	12.5	0	0	111.3	E383 E384 A390 Q391	E383-Q387 WeakPolarHBondContact O-CB 3.48Å; E383-Q387 VanDerWaalsContact O-CG 3.31Å; E383-Q387 WeakPolarHBondContact O-CG 3.44Å; E383-Q387 PolarHBondContact O-N 3.25Å; E383-Q387 PolarHBondContact OE1-NE2 2.96Å; E383-Q387 VanDerWaalsContact OE1-NE2 3.12Å; E384-Q387 PolarHBondContact O-N 2.91Å; Q387-A390 WeakPolarHBondContact O-CB 3.32Å; Q387-A390 PolarHBondContact O-N 2.89Å; Q387-Q391 WeakPolarHBondContact O-CG 3.31Å; Q387-Q391 PolarHBondContact O-N 2.95Å; Q387-Q391 VanDerWaalsContact O-N 3.07Å
388	R	85.9	Confident	71.9	Confident	132 Å²	132	117.7 Å²	117.7	50%	0.498	60%	0.595	S	S	.	*	H	α-helix	trans	-63.6	-42.4	176.8	-161	-176.3	-60.7	-160.3	1.9	111.7	E384 H385 A390 Q391 Y392	E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.49Å; E384-R388 PolarHBondContact O-N 3.19Å; E384-R388 IonicContact OE1-CZ 3.2Å; E384-R388 IonicContact OE1-NH2 2.66Å; E384-R388 PolarHBondContact OE1-NH2 2.9Å; H385-R388 PolarHBondContact O-N 2.87Å; R388-A390 VanDerWaalsContact C-N 3.33Å; R388-A390 PolarHBondContact O-N 3.47Å; R388-Q391 PolarHBondContact O-N 3.26Å; R388-Y392 HydrophobicContact CG-CE2 4.37Å; R388-Y392 WeakPolarHBondContact O-CD2 3.34Å; R388-Y392 PolarHBondContact O-N 2.84Å
389	M	79.2	Confident	70	Confident	109 Å²	109	119 Å²	119	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-66.3	-32	174.8	-73.3	-62.9	-66.8	0	0	112.7	H385 Q386 R393	H385-M389 WeakPolarHBondContact O-CB 3.48Å; H385-M389 VanDerWaalsContact O-CG 3.26Å; H385-M389 WeakPolarHBondContact O-CG 3.32Å; H385-M389 PolarHBondContact O-N 2.92Å; Q386-M389 PolarHBondContact O-N 3.3Å; M389-R393 WeakPolarHBondContact O-CB 3.48Å; M389-R393 PolarHBondContact O-N 3.44Å
390	A	78	Confident	68.2	Low	67 Å²	67	124.9 Å²	124.9	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-67.4	-38.5	173.5	0	0	0	0	0	112.1	Q386 Q387 R388 Y392 R393	Q386-A390 WeakPolarHBondContact O-CB 3.43Å; Q386-A390 PolarHBondContact O-N 3.16Å; Q387-A390 WeakPolarHBondContact O-CB 3.32Å; Q387-A390 PolarHBondContact O-N 2.89Å; R388-A390 VanDerWaalsContact C-N 3.33Å; R388-A390 PolarHBondContact O-N 3.47Å; A390-Y392 VanDerWaalsContact C-N 3.3Å; A390-Y392 PolarHBondContact O-N 3.17Å; A390-R393 PolarHBondContact O-N 3.01Å
391	Q	70	Confident	66	Low	151 Å²	151	125 Å²	125	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-63	-32.8	176.5	-72.2	173	-13.3	0	0	113.2	Q387 R388 R393	Q387-Q391 WeakPolarHBondContact O-CG 3.31Å; Q387-Q391 PolarHBondContact O-N 2.95Å; Q387-Q391 VanDerWaalsContact O-N 3.07Å; R388-Q391 PolarHBondContact O-N 3.26Å; Q391-R393 VanDerWaalsContact C-N 3.31Å
392	Y	63.4	Low	63.8	Low	197 Å²	197	124 Å²	124	77%	0.773	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-2.3	173.7	-75.9	-74.6	0	0	0	114.2	R388 A390	R388-Y392 HydrophobicContact CG-CE2 4.37Å; R388-Y392 WeakPolarHBondContact O-CD2 3.34Å; R388-Y392 PolarHBondContact O-N 2.84Å; A390-Y392 VanDerWaalsContact C-N 3.3Å; A390-Y392 PolarHBondContact O-N 3.17Å
393	R	57.6	Low	61.9	Low	209 Å²	209	126.5 Å²	126.5	79%	0.789	67%	0.673	S	S	*	*	S	Bend	trans	-107.4	34.2	-171.9	-155.9	-178.2	174.7	174.3	-1.2	114.4	M389 A390 Q391	M389-R393 WeakPolarHBondContact O-CB 3.48Å; M389-R393 PolarHBondContact O-N 3.44Å; A390-R393 PolarHBondContact O-N 3.01Å; Q391-R393 VanDerWaalsContact C-N 3.31Å
394	N	46.9	Very low	59.7	Low	147 Å²	147	128.8 Å²	128.8	79%	0.786	69%	0.694	S	S	*	*	S	Bend	trans	-177.1	154.4	151.4	-100	-21.8	0	0	0	112.4
395	P	45.9	Very low	57.6	Low	91 Å²	91	127.8 Å²	127.8	59%	0.591	71%	0.705	S	S	*	*			cis	-133.4	127.6	-24.3	34.2	-16.4	0	0	0	113.2	A397	P395-A397 HydrophobicContact CB-CB 4.36Å; P395-A397 PolarHBondContact O-N 3.11Å
396	V	40.7	Very low	55.8	Low	164 Å²	164	131.4 Å²	131.4	99%	0.994	72%	0.722	S	S	*	*			trans	-80.5	84.3	168.2	-176.4	0	0	0	0	108.9
397	A	43.4	Very low	53.8	Low	88 Å²	88	129.9 Å²	129.9	73%	0.727	73%	0.731	S	S	*	*			trans	-144.6	12	-172.8	0	0	0	0	0	115	P395	P395-A397 HydrophobicContact CB-CB 4.36Å; P395-A397 PolarHBondContact O-N 3.11Å
398	S	44.6	Very low	51.9	Low	111 Å²	111	129.7 Å²	129.7	78%	0.776	75%	0.747	S	S	*	*			trans	-134.4	45.3	-164.9	63.9	0	0	0	0	114.9
399	M	43.8	Very low	50.3	Low	181 Å²	181	127.9 Å²	127.9	89%	0.892	75%	0.752	S	S	*	*			trans	-151.2	118.6	166.7	-96.5	-179.1	173.4	0	0	110.5
400	I	47.5	Very low	48.7	Very low	163 Å²	163	130.7 Å²	130.7	84%	0.836	76%	0.763	S	S	*	*			trans	160.9	136.6	149.6	-86.4	157.1	0	0	0	108.4
401	P	38.1	Very low	47	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	77%	0.77	S	S	*	*			trans	-82.8	174.3	-176.4	-9.7	29	0	0	0	114.3
402	A	36.8	Very low	45.6	Very low	81 Å²	81	133 Å²	133	67%	0.669	77%	0.771	S	S	*	*			trans	-112.3	156.1	-174.2	0	0	0	0	0	114.3
403	V	46.8	Very low	44.7	Very low	147 Å²	147	131.6 Å²	131.6	89%	0.891	77%	0.77	S	S	*	*			trans	-145.5	148.9	161.2	-100.6	0	0	0	0	109.8
404	P	40.8	Very low	44.4	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	77%	0.765	S	S	*	*			trans	-121.2	162.9	-165.4	41.2	-29.7	0	0	0	116.1
405	G	44.2	Very low	44.8	Very low	62 Å²	62	125.7 Å²	125.7	64%	0.639	77%	0.767	S	S	*	*			trans	168.1	104.9	160.2	0	0	0	0	0	120.3
406	H	46	Very low	44.6	Very low	194 Å²	194	125.1 Å²	125.1	90%	0.898	77%	0.769	S	S	*	*			trans	69.3	131.9	137.5	-61.9	99	0	0	0	125.8
407	A	44	Very low	44.7	Very low	94 Å²	94	126.2 Å²	126.2	78%	0.777	76%	0.761	S	S	*	*			trans	54.7	123.3	152.4	0	0	0	0	0	120.5
408	A	46.8	Very low	44.5	Very low	95 Å²	95	130 Å²	130	79%	0.785	76%	0.764	S	S	*	*			cis	81.6	165.5	32.7	0	0	0	0	0	114.6
409	P	52.5	Low	44	Very low	93 Å²	93	134 Å²	134	60%	0.604	77%	0.77	S	S	*	*			cis	-135.8	-166.6	-2.7	17.3	11.4	0	0	0	115.9
410	H	44.9	Very low	43.7	Very low	168 Å²	168	131.1 Å²	131.1	78%	0.778	76%	0.763	S	S	*	*			trans	77.8	149	166.9	-38.8	-62.9	0	0	0	116.5
411	S	42.6	Very low	43.1	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	76%	0.755	S	S	*	*			cis	-176.6	161	-10.1	-102.9	0	0	0	0	109.3
412	F	41.3	Very low	43	Very low	167 Å²	167	132 Å²	132	73%	0.732	75%	0.746	S	S	*	*			cis	-165.1	127.3	-16.2	-148.6	-119.7	0	0	0	112
413	F	44.7	Very low	42.8	Very low	168 Å²	168	134.6 Å²	134.6	74%	0.737	74%	0.742	S	S	*	*			trans	48.9	158.4	135.5	-77.8	-110.2	0	0	0	124.7
414	P	51.3	Low	42.4	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	74%	0.736	S	S	*	*			cis	-148.1	-150.4	-36.1	50.7	-30.3	0	0	0	114.4
415	P	53.8	Low	42.3	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	73%	0.732	S	S	*	*			trans	-147.9	-139.8	-131.5	42.7	-13.2	0	0	0	116.9
416	A	42.6	Very low	42.3	Very low	79 Å²	79	141.6 Å²	141.6	65%	0.653	74%	0.743	S	S	*	*			trans	91.2	147.7	165.3	0	0	0	0	0	117.2
417	F	42.5	Very low	41.9	Very low	186 Å²	186	138.2 Å²	138.2	82%	0.816	74%	0.741	S	S	*	*			cis	-120.3	131.3	3.6	-84.5	-105.9	0	0	0	110.5
418	Q	38.7	Very low	41.7	Very low	169 Å²	169	137.6 Å²	137.6	79%	0.79	74%	0.744	S	S	*	*				74.6	122.2	82.3	-75	-162	-11.7	0	0	118.1
419	Q	34.4	Very low	41.2	Very low	195 Å²	195	137.7 Å²	137.7	91%	0.911	74%	0.744	S	S	*	*			trans	-118.3	160.6	160.6	-79.9	-176.1	-28	0	0	109.4
420	T	37.7	Very low	40.5	Very low	119 Å²	119	139.8 Å²	139.8	73%	0.73	76%	0.755	S	S	*	*			trans	-120.4	146.9	175.3	44.1	0	0	0	0	113
421	Q	35.5	Very low	39.9	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.673	76%	0.755	S	S	*	*			trans	-143	142.8	-178.2	-93.4	-88.1	-31	0	0	108.2
422	R	35	Very low	39.4	Very low	166 Å²	166	138.9 Å²	138.9	63%	0.626	76%	0.755	S	S	*	*			trans	-141	107.8	-179	-92.2	-70.4	178.4	171.4	-1.2	113.2	T599	R422-T599 WeakPolarHBondContact O-CG2 3.49Å
423	F	33.5	Very low	39	Very low	135 Å²	135	136.7 Å²	136.7	59%	0.592	76%	0.76	S	S	*	*			trans	-71.3	153.4	170.2	-110.3	-104.7	0	0	0	113	H425	F423-H425 AromaticContact CD1-NE2 3.95Å; F423-H425 AromaticContact CE1-NE2 3.88Å
424	Y	37.2	Very low	38.4	Very low	195 Å²	195	137.4 Å²	137.4	77%	0.765	77%	0.766	S	S	*	*			trans	-152.8	140.4	150.5	-108.8	-80.6	0	0	0	111.7	Q597	Y424-Q597 PolarHBondContact O-NE2 3.48Å
425	H	39.4	Very low	37.8	Very low	142 Å²	142	138.4 Å²	138.4	66%	0.657	77%	0.772	S	S	*	*			trans	-100.1	170	162.9	-63.3	-88.1	0	0	0	109.3	F423	F423-H425 AromaticContact CD1-NE2 3.95Å; F423-H425 AromaticContact CE1-NE2 3.88Å
426	P	43.5	Very low	36.6	Very low	133 Å²	133	143.7 Å²	143.7	86%	0.864	78%	0.776	S	S	*	*				-145.6	-178.2	93.3	39.2	-23.7	0	0	0	114.3
427	S	38.5	Very low	36.4	Very low	123 Å²	123	151.5 Å²	151.5	86%	0.86	79%	0.789	S	S	*	*			trans	-129.3	143.4	174.8	55.7	0	0	0	0	111.3
428	G	38.9	Very low	36.1	Very low	81 Å²	81	149.6 Å²	149.6	84%	0.835	79%	0.787	S	S	*	*			trans	-167.7	149.6	173.8	0	0	0	0	0	110.8
429	A	37.3	Very low	36.1	Very low	96 Å²	96	152.5 Å²	152.5	79%	0.793	79%	0.791	S	S	*	*			trans	-145.8	154	-175.3	0	0	0	0	0	110.9
430	V	36.9	Very low	36.3	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	78%	0.778	S	S	*	*			trans	-174.1	163.4	137.5	-95.8	0	0	0	0	112.3
431	L	32.6	Very low	36.4	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	79%	0.786	S	S	*	*			trans	81.9	95.6	150.7	-78.3	155.5	0	0	0	121.7
432	S	32.1	Very low	36.6	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	79%	0.786	S	S	*	*				58.6	113.8	127	63	0	0	0	0	121.7
433	S	32.6	Very low	36.9	Very low	121 Å²	121	143 Å²	143	85%	0.846	80%	0.799	S	S	*	*				-171.7	134.4	93.9	40.6	0	0	0	0	112.7
434	Q	33.5	Very low	37.3	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	81%	0.807	S	S	*	*			trans	-142.8	132.1	166.4	-86.4	-164.3	-13.9	0	0	109.4	R436	Q434-R436 PolarHBondContact O-N 2.96Å
435	P	37.3	Very low	37.4	Very low	128 Å²	128	137.1 Å²	137.1	83%	0.831	81%	0.805	S	S	*	*			trans	-74.3	120.5	168.4	-10.9	27.3	0	0	0	110
436	R	30	Very low	37.4	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	81%	0.813	S	S	*	*			trans	-122.5	118.7	173	-176.2	-179	-175.2	175.1	3.3	109.1	Q434	Q434-R436 PolarHBondContact O-N 2.96Å
437	W	36.9	Very low	36.9	Very low	243 Å²	243	140.2 Å²	140.2	92%	0.92	81%	0.812	S	S	*	*			trans	-84.8	142	173.9	-81.4	96.2	0	0	0	112.1
438	N	37.1	Very low	36.7	Very low	145 Å²	145	138 Å²	138	78%	0.775	81%	0.808	S	S	*	*			trans	-72.3	177	170	-92	-31.2	0	0	0	110.7
439	R	38.7	Very low	36.7	Very low	230 Å²	230	138 Å²	138	87%	0.868	81%	0.809	S	S	*	*			cis	-157.3	-177.3	8	-132.4	179.9	-177	-177.7	0.9	106.3
440	A	38.3	Very low	36.6	Very low	77 Å²	77	141.6 Å²	141.6	64%	0.636	81%	0.814	S	S	*	*			cis	-158.4	159.7	-5.6	0	0	0	0	0	109.1
441	A	41	Very low	37.1	Very low	109 Å²	109	140.4 Å²	140.4	90%	0.901	81%	0.809	S	S	*	*			trans	58.5	149.3	156.7	0	0	0	0	0	120.2
442	G	38.6	Very low	37.4	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	81%	0.81	S	S	*	*			cis	178.6	130.6	-11.1	0	0	0	0	0	115.9
443	I	40.7	Very low	37.8	Very low	174 Å²	174	146.3 Å²	146.3	89%	0.892	82%	0.817	S	S	*	*			trans	79.3	144.5	148.6	-63.4	175.6	0	0	0	118.1
444	P	43.6	Very low	38.3	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	81%	0.81	S	S	*	*			trans	-135.5	-151.9	-153.7	43.8	-22.8	0	0	0	114.9
445	A	38.8	Very low	39.2	Very low	88 Å²	88	142.5 Å²	142.5	73%	0.727	81%	0.805	S	S	*	*			trans	88.4	153.4	175.8	0	0	0	0	0	115.1
446	Q	39.4	Very low	39.4	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	81%	0.81	S	S	*	*			cis	-149.9	164.3	0	-143.7	169.9	20.7	0	0	113.5
447	I	33.2	Very low	39.9	Very low	165 Å²	165	137.2 Å²	137.2	85%	0.846	81%	0.807	S	S	*	*			trans	-25.3	141.2	169.3	-63	159.3	0	0	0	118.3
448	G	33.6	Very low	40.1	Very low	76 Å²	76	128.7 Å²	128.7	78%	0.784	80%	0.795	S	S	*	*			trans	145.9	144.9	143.6	0	0	0	0	0	117.7
449	G	37.9	Very low	40.2	Very low	82 Å²	82	131.2 Å²	131.2	85%	0.845	80%	0.795	S	S	*	*			trans	116.8	111.6	156.7	0	0	0	0	0	118.7
450	L	37.1	Very low	40.3	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	79%	0.791	S	S	*	*			trans	-117.1	175.6	162.6	-79.1	167.7	0	0	0	107.6
451	P	46.8	Very low	40.4	Very low	111 Å²	111	132 Å²	132	72%	0.721	80%	0.798	S	S	*	*			cis	-140.3	178.8	-42.1	39.7	-23.7	0	0	0	114.6
452	N	38.5	Very low	39.9	Very low	154 Å²	154	132 Å²	132	82%	0.824	79%	0.792	S	S	*	*			trans	83	156.1	142.4	-152.2	9.4	0	0	0	121.8
453	R	40.8	Very low	39.8	Very low	219 Å²	219	133.2 Å²	133.2	83%	0.826	80%	0.795	S	S	*	*			trans	82.3	151.7	163.5	-93.1	-155.3	151.6	-177.9	-6.3	120.1
454	P	43.5	Very low	39.9	Very low	108 Å²	108	130.3 Å²	130.3	70%	0.701	79%	0.788	S	S	*	*				-138.4	-139.8	-113.3	47.3	-24.8	0	0	0	114
455	P	50.8	Low	39.8	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	79%	0.792	S	S	*	*			trans	-118.4	166	-131.9	37.5	-17.3	0	0	0	116.6
456	V	43.4	Very low	40	Very low	153 Å²	153	134.1 Å²	134.1	93%	0.927	80%	0.796	S	S	*	*			trans	-136.2	152.6	163.1	-177.4	0	0	0	0	108.9
457	A	39	Very low	39.8	Very low	101 Å²	101	130.6 Å²	130.6	84%	0.835	80%	0.797	S	S	*	*			trans	-115.7	163.9	-164.6	0	0	0	0	0	114.8
458	G	40.8	Very low	39.8	Very low	65 Å²	65	127.1 Å²	127.1	67%	0.67	79%	0.793	S	S	*	*			trans	-166.4	95.9	170.6	0	0	0	0	0	112.6
459	Y	39.2	Very low	40	Very low	198 Å²	198	131.2 Å²	131.2	78%	0.776	80%	0.796	S	S	*	*				31.7	132.8	123.7	-80.1	101.9	0	0	0	118.9
460	Y	41.9	Very low	39.9	Very low	202 Å²	202	133 Å²	133	79%	0.792	79%	0.791	S	S	*	*			cis	-143.4	-179.1	34.1	-100.2	-71.8	0	0	0	111.4
461	P	39.2	Very low	39.9	Very low	121 Å²	121	129 Å²	129	79%	0.786	78%	0.781	S	S	*	*			trans	-120.4	-160.9	-134.5	41.1	-21.6	0	0	0	115.5
462	S	31.6	Very low	39.3	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	78%	0.784	S	S	*	*			trans	-115	161	-160.1	58.8	0	0	0	0	116.2
463	A	37	Very low	39.4	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	78%	0.778	S	S	*	*			trans	69	178.4	149.7	0	0	0	0	0	116.1
464	P	42.5	Very low	39.1	Very low	114 Å²	114	127.7 Å²	127.7	74%	0.74	78%	0.777	S	S	*	*			cis	-133.6	173.9	-1.5	43.3	-27.6	0	0	0	116.6
465	N	40	Very low	38.9	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	77%	0.774	S	S	*	*			trans	-76.2	153.2	152.9	-84.5	-7.8	0	0	0	109.9
466	P	43.1	Very low	38.3	Very low	124 Å²	124	125.7 Å²	125.7	81%	0.805	77%	0.773	S	S	*	*			trans	-133.7	171.7	130.9	35.6	-24.1	0	0	0	113.6
467	A	36	Very low	38.1	Very low	102 Å²	102	128 Å²	128	84%	0.843	77%	0.771	S	S	*	*			trans	-93.7	175.6	-179.7	0	0	0	0	0	113
468	A	33.4	Very low	38	Very low	93 Å²	93	127 Å²	127	77%	0.769	76%	0.762	S	S	*	*			trans	-67.6	155.4	-176.4	0	0	0	0	0	114.8
469	I	37.4	Very low	38	Very low	162 Å²	162	131.7 Å²	131.7	83%	0.831	77%	0.767	S	S	*	*			trans	-166.8	135.4	143.3	-111.1	161.4	0	0	0	113.6
470	T	35.9	Very low	38.1	Very low	120 Å²	120	130.2 Å²	130.2	74%	0.736	77%	0.765	S	S	*	*			trans	63.9	101.7	145.2	-58	0	0	0	0	123.5
471	A	36.2	Very low	37.8	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	77%	0.765	S	S	*	*				74.2	113.7	116.1	0	0	0	0	0	125.1
472	N	35.2	Very low	37.7	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	76%	0.762	S	S	*	*				81.6	152	111.6	-158.8	27	0	0	0	121.6
473	Q	40.3	Very low	38.4	Very low	148 Å²	148	131.3 Å²	131.3	69%	0.692	77%	0.765	S	S	*	*			trans	68.1	145.5	-179.5	-62.6	176.5	105.3	0	0	114.1
474	M	35.6	Very low	38.6	Very low	164 Å²	164	130.3 Å²	130.3	81%	0.808	76%	0.763	S	S	*	*			cis	-150.9	169.8	-3	-108.5	154.4	175.3	0	0	105
475	A	38.6	Very low	38.7	Very low	77 Å²	77	131 Å²	131	64%	0.636	77%	0.766	S	S	*	*			cis	168.5	156.7	-18.5	0	0	0	0	0	105.8
476	S	37.9	Very low	38.7	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	77%	0.766	S	S	*	*			trans	73.9	124.1	157.6	-56.1	0	0	0	0	122.4
477	F	38.8	Very low	38.5	Very low	200 Å²	200	134.8 Å²	134.8	88%	0.877	76%	0.764	S	S	*	*			trans	132.4	97.6	141.2	-81.4	-82.3	0	0	0	111.1
478	A	38.5	Very low	38.9	Very low	80 Å²	80	135.4 Å²	135.4	66%	0.661	76%	0.759	S	S	*	*				84.8	142.6	75.5	0	0	0	0	0	112.7
479	Q	40.2	Very low	39.2	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	75%	0.753	S	S	*	*			cis	-162.9	-172.6	-6.8	-117.9	175.9	-2.4	0	0	109.7
480	F	39.9	Very low	39.7	Very low	168 Å²	168	135.6 Å²	135.6	74%	0.737	75%	0.751	S	S	*	*			trans	76.5	142.6	170.9	-57.3	-92.8	0	0	0	119
481	R	36.7	Very low	40	Very low	208 Å²	208	134.8 Å²	134.8	79%	0.785	75%	0.748	S	S	*	*			cis	-163	115.7	-32.7	-116.3	-166.6	-164	-165.7	1.4	110.7
482	T	37.4	Very low	40.1	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	76%	0.756	S	S	*	*				24.6	163	127.7	56.4	0	0	0	0	123.2
483	P	46.1	Very low	40.3	Very low	127 Å²	127	135 Å²	135	83%	0.825	75%	0.753	S	S	*	*			cis	-147.2	-177.6	-26.5	39.7	-20.5	0	0	0	116.6
484	G	40.7	Very low	40.2	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	76%	0.761	S	S	*	*			trans	135.6	145.3	150.5	0	0	0	0	0	116.5
485	V	45	Very low	40.3	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	76%	0.759	S	S	*	*			cis	-150.3	142.1	-5.3	171.1	0	0	0	0	111.1
486	N	40.9	Very low	40.5	Very low	161 Å²	161	135.5 Å²	135.5	86%	0.861	77%	0.768	S	S	*	*			trans	76.7	154.9	161.2	-74.4	-3.6	0	0	0	124.7
487	R	38	Very low	40.5	Very low	201 Å²	201	138 Å²	138	76%	0.758	77%	0.771	S	S	*	*			trans	-157.6	171.6	-162.9	-140.5	-178	-173.5	-156.7	6	107.2
488	P	44.5	Very low	40.5	Very low	115 Å²	115	134.5 Å²	134.5	75%	0.747	77%	0.769	S	S	*	*				-133.3	163.2	73	10.1	15.9	0	0	0	113.2
489	M	39.3	Very low	40.5	Very low	131 Å²	131	135.8 Å²	135.8	65%	0.645	77%	0.773	S	S	*	*				72.2	146.8	59.6	-54.9	179.9	62.2	0	0	113.6
490	V	47.2	Very low	40.5	Very low	128 Å²	128	135.1 Å²	135.1	78%	0.776	78%	0.78	S	S	*	*			cis	-146.3	-176.8	32.6	-117.8	0	0	0	0	112.3
491	P	42.7	Very low	40.4	Very low	104 Å²	104	133.7 Å²	133.7	68%	0.675	78%	0.775	S	S	*	*			trans	-142.7	-175.5	-133.6	46	-24.6	0	0	0	120.5
492	N	37.9	Very low	40.6	Very low	165 Å²	165	131 Å²	131	88%	0.882	78%	0.775	S	S	*	*			trans	60.8	136	141.3	-82.7	26	0	0	0	125.9
493	G	40.7	Very low	40.6	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	77%	0.77	S	S	*	*			trans	146	150.4	146.3	0	0	0	0	0	114
494	M	36.9	Very low	39.9	Very low	172 Å²	172	132 Å²	132	85%	0.847	77%	0.77	S	S	*	*			cis	-172.2	138	-36.9	-124.1	175	71.8	0	0	108.7
495	S	39	Very low	39.7	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	77%	0.774	S	S	*	*			trans	63.7	160.7	173.3	9.4	0	0	0	0	116.7
496	S	41.6	Very low	39.2	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	77%	0.771	S	S	*	*			cis	-154.6	166.8	-3.5	42.7	0	0	0	0	111.5
497	I	37.7	Very low	38.9	Very low	159 Å²	159	130.1 Å²	130.1	82%	0.815	77%	0.77	S	S	*	*			trans	-114.6	160.5	177	-15.8	177.7	0	0	0	108.9
498	P	40.4	Very low	38.8	Very low	127 Å²	127	129.6 Å²	129.6	83%	0.825	77%	0.773	S	S	*	*				-150.8	-179.1	79.2	40.2	-19.7	0	0	0	116.9
499	S	38.4	Very low	38.3	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	77%	0.77	S	S	*	*			trans	-89.9	166.5	-167.4	-34.7	0	0	0	0	116.8
500	T	40.6	Very low	38.1	Very low	149 Å²	149	130.8 Å²	130.8	91%	0.914	77%	0.771	S	S	*	*			trans	-131.1	163	145.6	49.3	0	0	0	0	110.5
501	H	37.8	Very low	37.4	Very low	138 Å²	138	131 Å²	131	64%	0.639	77%	0.773	S	S	*	*			trans	-155.9	136.7	-156.2	148.2	-61.3	0	0	0	113.4	Q503	H501-Q503 PolarHBondContact CE1-NE2 3.24Å; H501-Q503 PolarHBondContact NE2-NE2 3.34Å
502	L	39.5	Very low	37.2	Very low	151 Å²	151	129.5 Å²	129.5	79%	0.791	77%	0.769	S	S	*	*			trans	-170.6	112.4	153.8	-126.7	61.8	0	0	0	106.7
503	Q	37.8	Very low	37.1	Very low	134 Å²	134	128.2 Å²	128.2	63%	0.626	76%	0.763	S	S	*	*				62.3	116.4	82	-67.5	-170.7	2.4	0	0	114.2	H501	H501-Q503 PolarHBondContact CE1-NE2 3.24Å; H501-Q503 PolarHBondContact NE2-NE2 3.34Å
504	T	30.7	Very low	37	Very low	135 Å²	135	132.5 Å²	132.5	83%	0.828	76%	0.764	S	S	*	*				75.7	136.2	83.7	-48.8	0	0	0	0	110.7
505	A	36.7	Very low	37.1	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	77%	0.767	S	S	*	*			cis	-136.9	-162	23.8	0	0	0	0	0	113.9
506	A	34.9	Very low	37	Very low	88 Å²	88	139.1 Å²	139.1	73%	0.727	77%	0.771	S	S	*	*			trans	-120.6	-168	175.8	0	0	0	0	0	111.7
507	V	34.7	Very low	36.9	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	77%	0.766	S	S	*	*			trans	92.8	144.4	159.5	-156.6	0	0	0	0	117.7
508	F	35.5	Very low	37	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.833	77%	0.765	S	S	*	*			trans	91.6	167	166.3	-111.2	-86.6	0	0	0	119.5
509	N	33.9	Very low	36.8	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	76%	0.759	S	S	*	*			trans	-153.5	169.5	-139	-176.5	18.1	0	0	0	110.4
510	Q	35.9	Very low	36.8	Very low	142 Å²	142	140.1 Å²	140.1	66%	0.664	77%	0.765	S	S	*	*			trans	83.9	133.7	166.5	-52.5	-176.3	-6.5	0	0	119.1
511	T	32.9	Very low	36.8	Very low	133 Å²	133	136.8 Å²	136.8	82%	0.816	76%	0.76	S	S	*	*			trans	63.7	152.1	145.2	51.6	0	0	0	0	120.9
512	A	37.3	Very low	36.9	Very low	72 Å²	72	140.7 Å²	140.7	60%	0.595	77%	0.769	S	S	*	*			cis	-172.3	165.6	-23.8	0	0	0	0	0	110.4
513	N	36.3	Very low	36.8	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	77%	0.768	S	S	*	*			trans	67.2	159.3	158.2	-64.7	-27.8	0	0	0	117.9
514	Q	38.5	Very low	36.7	Very low	158 Å²	158	138.2 Å²	138.2	74%	0.738	77%	0.772	S	S	*	*			cis	-165.7	155.5	-23.8	-111.1	174.8	49.5	0	0	109.7
515	Q	39.6	Very low	37	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	77%	0.77	S	S	*	*				175.2	153.1	124.8	-95	173.4	10.1	0	0	112.3
516	R	35.9	Very low	36.9	Very low	229 Å²	229	139.7 Å²	139.7	86%	0.864	77%	0.771	S	S	*	*			trans	-169.1	168.9	-171.9	-166.7	-171.7	170.3	-147	-3.5	112.1
517	Q	38.9	Very low	37	Very low	151 Å²	151	141.9 Å²	141.9	71%	0.706	78%	0.775	S	S	*	*			trans	103.8	155.3	157.6	-54.7	-170.7	61.1	0	0	115.2
518	Q	40	Very low	37.6	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	77%	0.766	S	S	*	*			cis	-134.4	-142.1	27.2	-73.6	-175.7	23.7	0	0	113.3
519	A	37.5	Very low	37.6	Very low	85 Å²	85	139 Å²	139	70%	0.702	76%	0.764	S	S	*	*				-158	175.6	-87.4	0	0	0	0	0	110
520	S	38.2	Very low	37.9	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	77%	0.771	S	S	*	*			cis	-174.8	141.2	-34.2	58.3	0	0	0	0	112.1
521	G	39.3	Very low	38	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	78%	0.778	S	S	*	*			trans	130	162.4	164.1	0	0	0	0	0	117.2
522	R	39.9	Very low	38.1	Very low	220 Å²	220	137.5 Å²	137.5	83%	0.83	78%	0.776	S	S	*	*			cis	-169.8	129.3	-8.7	-172.4	177.6	-178	169.9	4.4	113.9
523	Q	38.3	Very low	38.2	Very low	163 Å²	163	138.3 Å²	138.3	76%	0.762	78%	0.783	S	S	*	*			trans	60.6	174.4	164.9	-70.3	165.1	-115.9	0	0	117.4
524	G	36.2	Very low	38.3	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	79%	0.791	S	S	*	*			cis	171.4	-179.6	-1.5	0	0	0	0	0	110.4
525	V	37.2	Very low	38.2	Very low	128 Å²	128	136.1 Å²	136.1	78%	0.776	80%	0.797	S	S	*	*			cis	-162.7	168.6	-11.2	-161.4	0	0	0	0	110
526	V	34.7	Very low	38.1	Very low	135 Å²	135	131 Å²	131	82%	0.818	80%	0.796	S	S	*	*			trans	72.7	153.5	162.2	-97.1	0	0	0	0	124.8
527	V	36.3	Very low	38.2	Very low	134 Å²	134	123.7 Å²	123.7	81%	0.812	79%	0.791	S	S	*	*			trans	-163	-171.2	-172.5	-79.5	0	0	0	0	108.5
528	P	46.5	Very low	38.2	Very low	99 Å²	99	124.3 Å²	124.3	64%	0.643	80%	0.799	S	S	*	*			cis	-148.4	-175.2	7.2	46.2	-24.9	0	0	0	120.1
529	Q	37.2	Very low	38.3	Very low	167 Å²	167	122.4 Å²	122.4	78%	0.78	79%	0.794	S	S	*	*			trans	68	144.5	143.6	-86.2	179.7	-87.3	0	0	127
530	V	39.5	Very low	38.4	Very low	140 Å²	140	125.5 Å²	125.5	85%	0.848	79%	0.794	S	S	*	*				-174	172	120.5	147.3	0	0	0	0	112
531	L	36.8	Very low	38.2	Very low	156 Å²	156	129.8 Å²	129.8	82%	0.817	79%	0.791	S	S	*	*			trans	-86.3	-177	-167.7	-67	68.3	0	0	0	114.2
532	G	36.7	Very low	38.8	Very low	75 Å²	75	130.4 Å²	130.4	77%	0.773	78%	0.781	S	S	*	*			cis	163.8	-178.2	3.8	0	0	0	0	0	109.7
533	A	38.2	Very low	38.6	Very low	89 Å²	89	126.2 Å²	126.2	74%	0.736	78%	0.78	S	S	*	*			cis	-171	-178.5	-16.6	0	0	0	0	0	111.4
534	T	37.8	Very low	38.7	Very low	148 Å²	148	123.1 Å²	123.1	91%	0.908	78%	0.782	S	S	*	*			trans	61.8	166.9	162.8	61.7	0	0	0	0	122
535	A	37.4	Very low	38.9	Very low	104 Å²	104	124.7 Å²	124.7	86%	0.86	79%	0.788	S	S	*	*			cis	-175.6	159.6	-43.4	0	0	0	0	0	114
536	G	37.4	Very low	38.9	Very low	85 Å²	85	123.6 Å²	123.6	88%	0.876	79%	0.787	S	S	*	*			trans	130.4	129.6	143.5	0	0	0	0	0	125
537	G	39.1	Very low	38.9	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	79%	0.785	S	S	*	*			trans	87.8	167.5	142.4	0	0	0	0	0	123.1
538	L	37.4	Very low	38.9	Very low	164 Å²	164	123 Å²	123	86%	0.859	78%	0.783	S	S	*	*				-175	149.7	-54.7	-112.1	171.5	0	0	0	114.4
539	N	42.6	Very low	38.4	Very low	131 Å²	131	123 Å²	123	70%	0.701	79%	0.791	S	S	*	*			trans	129.8	145.5	163.4	-77.9	-23.9	0	0	0	116
540	Q	38.8	Very low	38.2	Very low	151 Å²	151	118.3 Å²	118.3	71%	0.706	79%	0.788	S	S	*	*			cis	95.1	143.4	26.3	-70.3	-164.7	102.1	0	0	114.8
541	R	35.3	Very low	38.6	Very low	212 Å²	212	117.7 Å²	117.7	80%	0.8	79%	0.787	S	S	*	*			cis	-157.6	-169.8	2.1	-114.5	-175.2	66.9	153.8	0.4	111.4
542	P	50.6	Low	39.2	Very low	93 Å²	93	115.3 Å²	115.3	60%	0.604	78%	0.78	S	S	*	*			trans	-135.6	-157.3	-149.3	46.7	-27.6	0	0	0	118.6
543	T	37.2	Very low	39.1	Very low	132 Å²	132	116.8 Å²	116.8	81%	0.81	78%	0.779	S	S	*	*			trans	79.4	132.1	152.7	42.8	0	0	0	0	123.8
544	A	40.1	Very low	39.3	Very low	98 Å²	98	119.5 Å²	119.5	81%	0.81	79%	0.786	S	S	*	*				-179.5	136.3	122.2	0	0	0	0	0	114.9
545	A	39.3	Very low	39.3	Very low	102 Å²	102	119.6 Å²	119.6	84%	0.843	78%	0.781	S	S	*	*			trans	45.8	160	148	0	0	0	0	0	122.4
546	S	37.3	Very low	39.6	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	77%	0.773	S	S	*	*			cis	-154.6	172.1	0.5	-143.9	0	0	0	0	114.2
547	V	35	Very low	39.8	Very low	128 Å²	128	120.1 Å²	120.1	78%	0.776	77%	0.768	S	S	*	*			trans	-39.2	172.8	176.4	-52	0	0	0	0	119.2
548	V	36.1	Very low	39.7	Very low	129 Å²	129	123.9 Å²	123.9	78%	0.782	77%	0.767	S	S	*	*			cis	-159.5	160.6	11.3	85.2	0	0	0	0	113
549	A	36.7	Very low	39.8	Very low	99 Å²	99	127.6 Å²	127.6	82%	0.818	77%	0.769	S	S	*	*			trans	55.9	154.8	161.2	0	0	0	0	0	119.7
550	G	32.2	Very low	39.7	Very low	68 Å²	68	128.5 Å²	128.5	70%	0.701	77%	0.77	S	S	*	*			cis	156	127.4	-0.1	0	0	0	0	0	110.5
551	P	49.7	Very low	39.7	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	78%	0.776	S	S	*	*			trans	-101.8	-159.4	-174.2	44.2	-38.6	0	0	0	111.3
552	P	48.1	Very low	39.7	Very low	106 Å²	106	125.9 Å²	125.9	69%	0.688	78%	0.775	S	S	*	*			cis	-143.1	-167.4	1.1	44.9	-25.1	0	0	0	116.7
553	S	35.3	Very low	39	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	79%	0.787	S	S	*	*			trans	60.3	131.1	150.5	-58.4	0	0	0	0	119.4
554	V	41.2	Very low	39.2	Very low	145 Å²	145	125.6 Å²	125.6	88%	0.879	79%	0.787	S	S	*	*				-161.6	168	61.2	-79.1	0	0	0	0	113.4
555	N	38.8	Very low	38.9	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	79%	0.79	S	S	*	*			trans	-114.5	-179.5	170.3	-134.1	-7	0	0	0	107.2
556	P	44.5	Very low	38.9	Very low	107 Å²	107	131.5 Å²	131.5	70%	0.695	79%	0.789	S	S	*	*			cis	-144	-171.6	-1.7	40.9	-19.3	0	0	0	116.8
557	A	40.3	Very low	38.9	Very low	92 Å²	92	132.2 Å²	132.2	76%	0.76	79%	0.792	S	S	*	*			trans	91.7	136.6	132.9	0	0	0	0	0	125
558	M	38	Very low	38.9	Very low	155 Å²	155	137.8 Å²	137.8	76%	0.764	80%	0.799	S	S	*	*				100.7	85.5	129.6	-147.6	166.5	-169.9	0	0	123
559	R	39.4	Very low	39.1	Very low	241 Å²	241	136.3 Å²	136.3	91%	0.909	80%	0.8	S	S	*	*			trans	-179.3	116	131.6	-102.2	170.7	172.9	-177.3	-3	107.5
560	Q	39.6	Very low	39.1	Very low	151 Å²	151	137 Å²	137	71%	0.706	79%	0.794	S	S	*	*			cis	87.1	140	33.3	-156.3	-173.7	29.6	0	0	113.7
561	Q	39.6	Very low	39.2	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	81%	0.805	S	S	*	*			trans	78.6	134.2	178.6	-61.1	-171.1	-5.2	0	0	115.5
562	V	35.4	Very low	38.6	Very low	130 Å²	130	144.7 Å²	144.7	79%	0.788	80%	0.802	S	S	*	*			cis	-141.6	148.6	-13.8	-166.5	0	0	0	0	108.7
563	A	36.1	Very low	38.1	Very low	103 Å²	103	145.5 Å²	145.5	85%	0.851	81%	0.811	S	S	*	*			trans	-143.4	125.6	159.1	0	0	0	0	0	110.2
564	S	39.8	Very low	38	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	82%	0.815	S	S	*	*			trans	-99.4	163	-170.7	47.8	0	0	0	0	113.9
565	Q	34.9	Very low	37.7	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	82%	0.817	S	S	*	*			trans	-83.4	141.8	-173.6	-53.4	167.6	16.1	0	0	112.2
566	V	38.6	Very low	37.7	Very low	137 Å²	137	144.9 Å²	144.9	83%	0.83	82%	0.818	S	S	*	*			trans	-141.7	127.6	154	-170.7	0	0	0	0	108.8
567	P	37.9	Very low	37.1	Very low	122 Å²	122	147.2 Å²	147.2	79%	0.792	83%	0.825	S	S	*	*			trans	-85.1	155.5	-172.6	33.4	-35.8	0	0	0	113.9	A569	P567-A569 PolarHBondContact O-N 3.47Å
568	R	35.2	Very low	36.8	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	83%	0.827	S	S	*	*			trans	-93	92.8	-179.9	-167.7	177.8	-168.4	161.9	4.3	111.3
569	A	39.3	Very low	36.5	Very low	98 Å²	98	149 Å²	149	81%	0.81	83%	0.828	S	S	*	*			trans	-65.3	153	178.3	0	0	0	0	0	113.3	P567	P567-A569 PolarHBondContact O-N 3.47Å
570	V	36.6	Very low	36.2	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.685	82%	0.819	S	S	*	*			trans	-105.5	132.1	178.6	175.3	0	0	0	0	109.7
571	M	35.1	Very low	35.8	Very low	192 Å²	192	141.6 Å²	141.6	95%	0.946	82%	0.824	S	S	*	*			trans	-138	153.7	153.5	-78.4	-157.1	165.9	0	0	110.6
572	H	37.1	Very low	35.6	Very low	165 Å²	165	137.1 Å²	137.1	76%	0.764	82%	0.817	S	S	*	*			trans	-118.1	173.2	-165.4	-104.7	77.7	0	0	0	112
573	S	36.6	Very low	35.5	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	82%	0.818	S	S	*	*			trans	65.3	133.6	160.9	46.9	0	0	0	0	118.5
574	G	33.3	Very low	35.4	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	82%	0.816	S	S	*	*			trans	148.5	32.9	175.7	0	0	0	0	0	116.7
575	M	36	Very low	35.1	Very low	191 Å²	191	140 Å²	140	94%	0.941	81%	0.814	S	S	*	*			trans	-125.8	105.1	176.5	-70.6	-174.4	70.6	0	0	111.6
576	S	37.8	Very low	35	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	80%	0.8	S	S	*	*			trans	-88.3	148.4	169.3	49.9	0	0	0	0	111.3
577	N	31.6	Very low	34.6	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	80%	0.798	S	S	*	*			trans	-68.8	130.3	-175.6	-65.3	-44.1	0	0	0	113
578	I	35.5	Very low	34.5	Very low	157 Å²	157	140.1 Å²	140.1	81%	0.805	79%	0.786	S	S	*	*			trans	-127.5	107.1	145.4	-63.3	-175	0	0	0	107.9
579	T	30.1	Very low	34.4	Very low	126 Å²	126	137.7 Å²	137.7	77%	0.773	79%	0.785	S	S	*	*			trans	-77	130.4	171.3	-52.9	0	0	0	0	109
580	S	34.7	Very low	34.3	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	78%	0.781	S	S	*	*			trans	-147.6	130.4	169.1	-74.9	0	0	0	0	110.5	A582	S580-A582 PolarHBondContact O-N 3.49Å
581	T	30.2	Very low	34	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	79%	0.789	S	S	*	*			trans	-85.2	97.1	-164.5	47.5	0	0	0	0	112.4
582	A	34.8	Very low	33.8	Very low	83 Å²	83	138.3 Å²	138.3	69%	0.686	78%	0.779	S	S	*	*			trans	-91.4	100.2	170.2	0	0	0	0	0	111.1	S580 N584	S580-A582 PolarHBondContact O-N 3.49Å; A582-N584 VanDerWaalsContact C-N 3.35Å; A582-N584 PolarHBondContact O-N 2.79Å
583	T	33.8	Very low	33.6	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	78%	0.781	S	S	*	*			trans	-71.2	82.5	177	43.2	0	0	0	0	111.9	V585	T583-V585 PolarHBondContact O-N 3.2Å
584	N	33.8	Very low	33.5	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	78%	0.78	S	S	*	*			trans	-68.8	89.7	171	-87.7	-68.7	0	0	0	111	A582 R586	A582-N584 VanDerWaalsContact C-N 3.35Å; A582-N584 PolarHBondContact O-N 2.79Å; N584-R586 PolarHBondContact O-N 3.18Å
585	V	34.2	Very low	33.4	Very low	126 Å²	126	139.4 Å²	139.4	76%	0.764	78%	0.775	S	S	*	*			trans	-66.4	112.4	168.7	-179.4	0	0	0	0	108.5	T583 F587	T583-V585 PolarHBondContact O-N 3.2Å; V585-F587 PolarHBondContact O-N 3.17Å
586	R	32.4	Very low	33.3	Very low	150 Å²	150	135.1 Å²	135.1	57%	0.566	77%	0.77	S	S	*	*			trans	-92.6	101.5	-174	-179	178.6	179.6	149.1	-1.3	110.1	N584 H588	N584-R586 PolarHBondContact O-N 3.18Å; R586-H588 PolarHBondContact NE-CD2 3.16Å; R586-H588 PolarHBondContact NE-NE2 3.38Å; R586-H588 PolarHBondContact NH2-NE2 3.41Å; R586-H588 PolarHBondContact O-N 2.98Å
587	F	31.4	Very low	33	Very low	179 Å²	179	134.8 Å²	134.8	79%	0.785	76%	0.756	S	S	*	*			trans	-58.4	126.7	165	-94.4	-94.5	0	0	0	109.9	V585	V585-F587 PolarHBondContact O-N 3.17Å
588	H	35.4	Very low	33.2	Very low	120 Å²	120	132.8 Å²	132.8	56%	0.556	75%	0.751	S	S	*	*			trans	-127.2	117.6	169.2	-112.6	-69.6	0	0	0	107.5	R586 T590	R586-H588 PolarHBondContact NE-CD2 3.16Å; R586-H588 PolarHBondContact NE-NE2 3.38Å; R586-H588 PolarHBondContact NH2-NE2 3.41Å; R586-H588 PolarHBondContact O-N 2.98Å; H588-T590 PolarHBondContact O-N 3.35Å
589	Q	33	Very low	33.1	Very low	193 Å²	193	128.5 Å²	128.5	90%	0.902	73%	0.732	S	S	*	*			trans	-80.5	111.9	163.7	-78.7	179.5	-24.3	0	0	108.2
590	T	36.3	Very low	33.4	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.724	73%	0.732	S	S	*	*			trans	-145.7	110	159.4	47.6	0	0	0	0	108.5	H588	H588-T590 PolarHBondContact O-N 3.35Å
591	A	30.1	Very low	33.6	Very low	104 Å²	104	130.4 Å²	130.4	86%	0.86	73%	0.733	S	S	*	*			trans	-68.8	140.8	169.3	0	0	0	0	0	110.1
592	R	32.8	Very low	34.1	Very low	194 Å²	194	129.9 Å²	129.9	73%	0.732	73%	0.732	S	S	*	*			trans	-147	127.6	156.7	-107.6	178.7	-168.9	152.4	4.8	110.4	E383	E383-R592 IonicContact OE1-CZ 2.73Å; E383-R592 VanDerWaalsContact OE1-CZ 3.23Å; E383-R592 IonicContact OE1-NH1 3.17Å; E383-R592 PolarHBondContact OE1-NH1 2.9Å; E383-R592 IonicContact OE1-NH2 3.38Å; E383-R592 PolarHBondContact OE1-NH2 3.49Å
593	N	31.6	Very low	34.1	Very low	148 Å²	148	131 Å²	131	79%	0.791	74%	0.741	S	S	*	*			trans	-67.6	135.4	175.7	-178.9	8.6	0	0	0	110.6
594	V	33.9	Very low	34	Very low	141 Å²	141	127.9 Å²	127.9	86%	0.855	74%	0.735	S	S	*	*			trans	-144.2	125.7	164.9	-143.6	0	0	0	0	109.5
595	S	32.5	Very low	33.8	Very low	103 Å²	103	126 Å²	126	72%	0.72	73%	0.734	S	S	*	*			trans	-120.1	126.3	-168.6	56.4	0	0	0	0	112.9
596	A	33.4	Very low	33.7	Very low	101 Å²	101	128.8 Å²	128.8	84%	0.835	74%	0.741	S	S	*	*			trans	-174.5	148.4	158.4	0	0	0	0	0	110.2
597	Q	30.7	Very low	33.6	Very low	111 Å²	111	126.5 Å²	126.5	52%	0.519	75%	0.748	S	S	.	*			cis	-162	136.8	-27.3	-171.8	172	4	0	0	106.4	Y424	Y424-Q597 PolarHBondContact O-NE2 3.48Å
598	P	36.4	Very low	33.4	Very low	114 Å²	114	124.4 Å²	124.4	74%	0.74	75%	0.75	S	S	*	*			trans	-86.5	157.5	-175.1	34.3	-35.5	0	0	0	113
599	T	34.8	Very low	33	Very low	67 Å²	67	124.6 Å²	124.6	41%	0.411	75%	0.754	S	S	.	*			trans	-126	127.1	169	59.8	0	0	0	0	111.5	R422	R422-T599 WeakPolarHBondContact O-CG2 3.49Å
600	L	35.6	Very low	33.2	Very low	147 Å²	147	123.7 Å²	123.7	77%	0.77	76%	0.755	S	S	*	*			trans	-92.5	151.1	-177.3	-66.4	161.1	0	0	0	112.5
601	V	39.1	Very low	32.9	Very low	121 Å²	121	125.5 Å²	125.5	73%	0.733	76%	0.755	S	S	*	*			trans	-149.2	151.4	137.6	-95.5	0	0	0	0	109.7
602	P	39.9	Very low	32.9	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	75%	0.753	S	S	*	*			trans	-131.5	151.8	-149.7	39.6	-23	0	0	0	117.6
603	A	35.2	Very low	32.8	Very low	107 Å²	107	125.8 Å²	125.8	88%	0.884	76%	0.762	S	S	*	*			trans	-166.3	151.4	149.4	0	0	0	0	0	107.6
604	G	31.5	Very low	32.6	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	75%	0.754	S	S	*	*			cis	175.3	140.5	-7.9	0	0	0	0	0	109.4
605	S	30.1	Very low	32.2	Very low	115 Å²	115	121.5 Å²	121.5	80%	0.804	75%	0.749	S	S	*	*			trans	32.5	107.3	166.2	58.4	0	0	0	0	119.5
606	M	31	Very low	32.3	Very low	183 Å²	183	125.4 Å²	125.4	90%	0.901	76%	0.755	S	S	*	*				-178.2	146.2	103	-91.4	-61.1	-94.9	0	0	111.3
607	S	30.2	Very low	32.6	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	75%	0.745	S	S	*	*			trans	-90.9	172.8	176.9	-59.2	0	0	0	0	112
608	T	27.4	Very low	33.8	Very low	135 Å²	135	125.9 Å²	125.9	83%	0.828	76%	0.756	S	S	*	*			trans	80.4	123.9	176.7	-29.4	0	0	0	0	111.3
609	L	28.6	Very low	35	Very low	125 Å²	125	122.2 Å²	122.2	65%	0.654	73%	0.73	S	S	*	*			cis	-148.5	140.1	41.8	-176.7	65	0	0	0	112.7	Q611	L609-Q611 HydrophobicContact CD2-CG 3.86Å; L609-Q611 HydrophobicContact CG-CG 4.06Å
610	L	35.5	Very low	36.5	Very low	174 Å²	174	122.1 Å²	122.1	91%	0.911	73%	0.73	S	S	*	*			trans	-82.7	122.2	160.3	-89.3	160.9	0	0	0	108.8
611	Q	31.4	Very low	38.1	Very low	155 Å²	155	120 Å²	120	72%	0.724	72%	0.718	S	S	*	*			trans	-141.7	141.6	164.7	-92.2	-176	-11	0	0	111.5	L609	L609-Q611 HydrophobicContact CD2-CG 3.86Å; L609-Q611 HydrophobicContact CG-CG 4.06Å
612	P	28.8	Very low	39.5	Very low	125 Å²	125	118.5 Å²	118.5	81%	0.812	71%	0.713	S	S	*	*			trans	-81.1	127.6	172.5	32.8	-31.6	0	0	0	110.1	G614	P612-G614 VanDerWaalsContact C-N 3.3Å; P612-G614 PolarHBondContact O-N 3.49Å
613	L	32	Very low	41.1	Very low	179 Å²	179	115.1 Å²	115.1	94%	0.937	70%	0.695	S	S	*	*			trans	-78.9	81.7	172.2	-84.1	165.2	0	0	0	110.7
614	G	25.9	Very low	42.9	Very low	59 Å²	59	110.3 Å²	110.3	61%	0.608	66%	0.655	S	S	*	*			trans	-75.8	154.9	149.7	0	0	0	0	0	110.6	P612	P612-G614 VanDerWaalsContact C-N 3.3Å; P612-G614 PolarHBondContact O-N 3.49Å
615	D	26.8	Very low	45	Very low	141 Å²	141	110.7 Å²	110.7	75%	0.754	65%	0.652	S	S	*	*	S	Bend	trans	62.6	124.4	177.2	-96.1	-45.1	0	0	0	119.7	G617	D615-G617 PolarHBondContact O-N 2.81Å; D615-G617 VanDerWaalsContact O-N 3.08Å
616	Q	34.2	Very low	47.2	Very low	184 Å²	184	113.5 Å²	113.5	86%	0.86	65%	0.652	S	S	*	*			trans	53.8	25.4	150.7	-45.3	-159.3	22.6	0	0	120.9	Q618	Q616-Q618 PolarHBondContact O-N 3.45Å
617	G	40.4	Very low	49.5	Very low	59 Å²	59	108 Å²	108	61%	0.608	63%	0.626	S	S	*	*			trans	-68.5	118.8	161.3	0	0	0	0	0	112.6	D615 L619	D615-G617 PolarHBondContact O-N 2.81Å; D615-G617 VanDerWaalsContact O-N 3.08Å; G617-L619 PolarHBondContact O-N 3.39Å
618	Q	54.8	Low	52	Low	164 Å²	164	105.8 Å²	105.8	77%	0.766	61%	0.61	S	S	*	*			trans	-64.7	127.3	175.5	-77.4	-175.9	-32.2	0	0	112.2	Q616 T620	Q616-Q618 PolarHBondContact O-N 3.45Å; Q618-T620 VanDerWaalsContact C-N 3.34Å; Q618-T620 PolarHBondContact O-N 3.33Å
619	L	62.8	Low	54.6	Low	36 Å²	36	106.1 Å²	106.1	19%	0.188	60%	0.603	C	S	.	*			trans	-74.9	84.3	172	-94.5	69.1	0	0	0	110.6	G617 L624 T635 L636 H639 L671	G617-L619 PolarHBondContact O-N 3.39Å; L619-L624 HydrophobicContact CB-CD1 4.49Å; L619-L624 HydrophobicContact CD2-CD1 4.44Å; L619-T635 HydrophobicContact CD2-CG2 4.32Å; L619-L636 HydrophobicContact CD2-CD2 4.12Å; L619-H639 WeakPolarHBondContact CD1-CE1 3.46Å; L619-H639 HydrophobicContact CD2-CB 4.21Å; L619-L671 HydrophobicContact CD2-CD1 4.17Å
620	T	66.1	Low	57.2	Low	65 Å²	65	108.1 Å²	108.1	40%	0.399	61%	0.609	S	S	.	*			trans	-71.6	141.8	174.3	66	0	0	0	0	111.5	Q618 S622 A623 L624	Q618-T620 VanDerWaalsContact C-N 3.34Å; Q618-T620 PolarHBondContact O-N 3.33Å; T620-S622 PolarHBondContact O-N 2.85Å; T620-S622 VanDerWaalsContact O-N 3.14Å; T620-A623 PolarHBondContact O-N 2.84Å; T620-A623 PolarHBondContact OG1-N 3.12Å; T620-L624 PolarHBondContact O-N 3.39Å
621	I	69.1	Low	59.6	Low	104 Å²	104	102.4 Å²	102.4	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-51	-37.9	172.1	-63	167.1	0	0	0	110.7	A623 L624 A625 I668	I621-A623 VanDerWaalsContact C-N 3.34Å; I621-A623 PolarHBondContact O-N 2.62Å; I621-L624 PolarHBondContact O-N 3.04Å; I621-A625 VanDerWaalsContact O-CB 3.28Å; I621-A625 WeakPolarHBondContact O-CB 3.48Å; I621-A625 PolarHBondContact O-N 3.16Å; I621-I668 HydrophobicContact CB-CD1 4.38Å; I621-I668 HydrophobicContact CG1-CD1 3.5Å; I621-I668 VanDerWaalsContact CG1-CD1 3.5Å
622	S	67.5	Low	62.2	Low	88 Å²	88	96.5 Å²	96.5	62%	0.615	55%	0.551	S	S	*	*	H	α-helix	trans	-62	-33.2	178.6	-54	0	0	0	0	114.3	T620	T620-S622 PolarHBondContact O-N 2.85Å; T620-S622 VanDerWaalsContact O-N 3.14Å
623	A	73.8	Confident	65.1	Low	53 Å²	53	95 Å²	95	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-76.8	-44.9	177	0	0	0	0	0	111.2	T620 I621 A625 Q626	T620-A623 PolarHBondContact O-N 2.84Å; T620-A623 PolarHBondContact OG1-N 3.12Å; I621-A623 VanDerWaalsContact C-N 3.34Å; I621-A623 PolarHBondContact O-N 2.62Å; A623-A625 VanDerWaalsContact C-N 3.31Å; A623-A625 PolarHBondContact O-N 2.85Å; A623-Q626 PolarHBondContact O-N 2.81Å
624	L	73.5	Confident	67.8	Low	6 Å²	6	93 Å²	93	3%	0.031	51%	0.512	C	S	.	.	H	α-helix	trans	-64.2	-35.1	177.5	-72.9	160.4	0	0	0	112.3	L619 T620 I621 Q626 L627 Q632 T635 L636 I668	L619-L624 HydrophobicContact CB-CD1 4.49Å; L619-L624 HydrophobicContact CD2-CD1 4.44Å; T620-L624 PolarHBondContact O-N 3.39Å; I621-L624 PolarHBondContact O-N 3.04Å; L624-Q626 PolarHBondContact O-N 3.05Å; L624-Q626 VanDerWaalsContact O-N 3.12Å; L624-L627 HydrophobicContact CD2-CD1 4.46Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-L627 VanDerWaalsContact O-N 3.09Å; L624-Q632 VanDerWaalsContact O-CG 3.28Å; L624-Q632 WeakPolarHBondContact O-CG 3.41Å; L624-Q632 PolarHBondContact O-NE2 2.91Å; L624-T635 HydrophobicContact CD2-CG2 4.13Å; L624-L636 HydrophobicContact CD1-CD2 3.81Å; L624-L636 HydrophobicContact CD1-CG 4.46Å; L624-L636 HydrophobicContact CD2-CD2 4.25Å; L624-L636 HydrophobicContact CD2-CG 4.16Å; L624-I668 HydrophobicContact CD1-CD1 3.6Å; L624-I668 HydrophobicContact CD1-CG1 3.95Å
625	A	75.3	Confident	70.7	Confident	73 Å²	73	91.6 Å²	91.6	60%	0.603	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.7	178.9	0	0	0	0	0	115	I621 A623	I621-A625 VanDerWaalsContact O-CB 3.28Å; I621-A625 WeakPolarHBondContact O-CB 3.48Å; I621-A625 PolarHBondContact O-N 3.16Å; A623-A625 VanDerWaalsContact C-N 3.31Å; A623-A625 PolarHBondContact O-N 2.85Å
626	Q	76.8	Confident	73.8	Confident	173 Å²	173	85 Å²	85	81%	0.808	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.5	174.5	-62.2	-175.9	12.9	0	0	113.3	A623 L624	A623-Q626 PolarHBondContact O-N 2.81Å; L624-Q626 PolarHBondContact O-N 3.05Å; L624-Q626 VanDerWaalsContact O-N 3.12Å
627	L	79.5	Confident	76.6	Confident	69 Å²	69	76.8 Å²	76.8	36%	0.361	42%	0.422	S	S	.	.	S	Bend	trans	-91.7	159	-178.8	-66.5	174.3	0	0	0	111.6	L624 D631 Q632	L624-L627 HydrophobicContact CD2-CD1 4.46Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-L627 VanDerWaalsContact O-N 3.09Å; L627-D631 HydrophobicContact CB-CB 3.96Å; L627-D631 HydrophobicContact CD2-CB 4.23Å; L627-D631 HydrophobicContact CG-CB 4.48Å; L627-Q632 HydrophobicContact CB-CG 3.89Å; L627-Q632 PolarHBondContact O-NE2 3.3Å
628	S	82.9	Confident	79.1	Confident	54 Å²	54	78.9 Å²	78.9	38%	0.378	42%	0.416	S	S	.	.			trans	-66.3	160.3	171.3	79.6	0	0	0	0	111.3	E630 D631 Q632	S628-E630 PolarHBondContact O-N 2.8Å; S628-E630 VanDerWaalsContact O-N 3.12Å; S628-E630 PolarHBondContact OG-N 2.71Å; S628-D631 WeakPolarHBondContact CB-OD2 3.27Å; S628-D631 PolarHBondContact O-N 3.03Å; S628-D631 PolarHBondContact OG-N 2.92Å; S628-D631 PolarHBondContact OG-OD2 2.89Å; S628-Q632 WeakPolarHBondContact O-CB 3.36Å; S628-Q632 WeakPolarHBondContact O-CG 3.46Å; S628-Q632 PolarHBondContact O-N 3.45Å
629	E	80.8	Confident	80.8	Confident	142 Å²	142	75.3 Å²	75.3	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-58	-26.2	175.3	-74	-169.1	-160.9	0	0	113.6	K633	E629-K633 WeakPolarHBondContact O-CD 3.45Å; E629-K633 WeakPolarHBondContact O-CG 3.31Å; E629-K633 PolarHBondContact O-N 3.47Å; E629-K633 IonicContact OE2-NZ 3.23Å
630	E	83.8	Confident	82.2	Confident	167 Å²	167	73.6 Å²	73.6	78%	0.78	39%	0.39	S	S	*	.	H	α-helix	trans	-81.5	-42.7	179.7	-167.5	163.7	-160.6	0	0	110.9	S628 K633 R634	S628-E630 PolarHBondContact O-N 2.8Å; S628-E630 VanDerWaalsContact O-N 3.12Å; S628-E630 PolarHBondContact OG-N 2.71Å; E630-K633 PolarHBondContact O-N 3.23Å; E630-R634 PolarHBondContact O-N 3.05Å
631	D	85	Confident	83.6	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-40.1	172.4	-68.3	-67.6	0	0	0	112.1	L627 S628 K633 R634 T635	L627-D631 HydrophobicContact CB-CB 3.96Å; L627-D631 HydrophobicContact CD2-CB 4.23Å; L627-D631 HydrophobicContact CG-CB 4.48Å; S628-D631 WeakPolarHBondContact CB-OD2 3.27Å; S628-D631 PolarHBondContact O-N 3.03Å; S628-D631 PolarHBondContact OG-N 2.92Å; S628-D631 PolarHBondContact OG-OD2 2.89Å; D631-K633 VanDerWaalsContact C-N 3.32Å; D631-K633 PolarHBondContact O-N 3.37Å; D631-R634 WeakPolarHBondContact O-CB 3.37Å; D631-R634 PolarHBondContact O-N 3.39Å; D631-R634 VanDerWaalsContact O-N 3.12Å; D631-R634 IonicContact OD1-CZ 2.64Å; D631-R634 IonicContact OD1-NH1 3.76Å; D631-R634 PolarHBondContact OD1-NH1 3.12Å; D631-R634 IonicContact OD1-NH2 2.67Å; D631-T635 PolarHBondContact O-N 3.03Å; D631-T635 PolarHBondContact O-OG1 2.96Å
632	Q	87.3	Confident	84.8	Confident	30 Å²	30	73.2 Å²	73.2	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-55.3	-47.5	173.4	-75.2	171.3	27	0	0	110.9	L624 L627 S628 R634 T635 L636 N664	L624-Q632 VanDerWaalsContact O-CG 3.28Å; L624-Q632 WeakPolarHBondContact O-CG 3.41Å; L624-Q632 PolarHBondContact O-NE2 2.91Å; L627-Q632 HydrophobicContact CB-CG 3.89Å; L627-Q632 PolarHBondContact O-NE2 3.3Å; S628-Q632 WeakPolarHBondContact O-CB 3.36Å; S628-Q632 WeakPolarHBondContact O-CG 3.46Å; S628-Q632 PolarHBondContact O-N 3.45Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-R634 PolarHBondContact O-N 3.45Å; Q632-T635 PolarHBondContact O-N 2.85Å; Q632-L636 WeakPolarHBondContact O-CB 3.3Å; Q632-L636 VanDerWaalsContact O-CG 3.28Å; Q632-L636 WeakPolarHBondContact O-CG 3.43Å; Q632-L636 PolarHBondContact O-N 2.85Å; Q632-N664 PolarHBondContact OE1-ND2 3.07Å
633	K	87.9	Confident	86	Confident	95 Å²	95	74.5 Å²	74.5	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-66.9	-34	177.3	-75	166.3	-174	148.7	0	112.2	E629 E630 D631 G637 L660	E629-K633 WeakPolarHBondContact O-CD 3.45Å; E629-K633 WeakPolarHBondContact O-CG 3.31Å; E629-K633 PolarHBondContact O-N 3.47Å; E629-K633 IonicContact OE2-NZ 3.23Å; E630-K633 PolarHBondContact O-N 3.23Å; D631-K633 VanDerWaalsContact C-N 3.32Å; D631-K633 PolarHBondContact O-N 3.37Å; K633-G637 PolarHBondContact O-N 3.19Å; K633-L660 WeakPolarHBondContact O-CD2 3.37Å
634	R	88.8	Confident	86.9	Confident	137 Å²	137	72 Å²	72	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-53.2	173.7	-158.5	-175.8	74.7	-119.6	-4.1	111.3	E630 D631 Q632 L636 G637 E638	E630-R634 PolarHBondContact O-N 3.05Å; D631-R634 WeakPolarHBondContact O-CB 3.37Å; D631-R634 PolarHBondContact O-N 3.39Å; D631-R634 VanDerWaalsContact O-N 3.12Å; D631-R634 IonicContact OD1-CZ 2.64Å; D631-R634 IonicContact OD1-NH1 3.76Å; D631-R634 PolarHBondContact OD1-NH1 3.12Å; D631-R634 IonicContact OD1-NH2 2.67Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-R634 PolarHBondContact O-N 3.45Å; R634-L636 PolarHBondContact O-N 2.99Å; R634-G637 PolarHBondContact O-N 2.91Å; R634-G637 VanDerWaalsContact O-N 3.11Å; R634-E638 WeakPolarHBondContact CG-OE1 3.45Å; R634-E638 IonicContact NE-OE1 3.15Å; R634-E638 PolarHBondContact NE-OE1 2.93Å; R634-E638 VanDerWaalsContact O-CG 3.32Å; R634-E638 WeakPolarHBondContact O-CG 3.23Å; R634-E638 PolarHBondContact O-N 2.98Å
635	T	88.5	Confident	87.9	Confident	29 Å²	29	77 Å²	77	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-41.5	-179.7	-61.2	0	0	0	0	112.5	L619 L624 D631 Q632 G637 E638 H639	L619-T635 HydrophobicContact CD2-CG2 4.32Å; L624-T635 HydrophobicContact CD2-CG2 4.13Å; D631-T635 PolarHBondContact O-N 3.03Å; D631-T635 PolarHBondContact O-OG1 2.96Å; Q632-T635 PolarHBondContact O-N 2.85Å; T635-G637 VanDerWaalsContact C-N 3.32Å; T635-G637 PolarHBondContact O-N 2.96Å; T635-E638 PolarHBondContact O-N 3.42Å; T635-H639 PolarHBondContact O-CD2 3.18Å; T635-H639 PolarHBondContact O-N 2.67Å
636	L	91.1	Very high	88.8	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-37.1	172.9	-70.4	176.2	0	0	0	111.8	L619 L624 Q632 R634 H639 L640 L660 N664 V667	L619-L636 HydrophobicContact CD2-CD2 4.12Å; L624-L636 HydrophobicContact CD1-CD2 3.81Å; L624-L636 HydrophobicContact CD1-CG 4.46Å; L624-L636 HydrophobicContact CD2-CD2 4.25Å; L624-L636 HydrophobicContact CD2-CG 4.16Å; Q632-L636 WeakPolarHBondContact O-CB 3.3Å; Q632-L636 VanDerWaalsContact O-CG 3.28Å; Q632-L636 WeakPolarHBondContact O-CG 3.43Å; Q632-L636 PolarHBondContact O-N 2.85Å; R634-L636 PolarHBondContact O-N 2.99Å; L636-H639 PolarHBondContact O-N 2.81Å; L636-L640 VanDerWaalsContact O-CB 3.31Å; L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.35Å; L636-L660 HydrophobicContact CB-CD2 3.63Å; L636-N664 HydrophobicContact CD1-CB 4.28Å; L636-V667 HydrophobicContact CB-CG1 4.43Å; L636-V667 HydrophobicContact CD1-CB 4.48Å; L636-V667 HydrophobicContact CD1-CG1 4.3Å; L636-V667 HydrophobicContact CD2-CG1 3.9Å; L636-V667 HydrophobicContact CG-CG1 4.45Å
637	G	92.2	Very high	89.5	Confident	13 Å²	13	71.5 Å²	71.5	13%	0.134	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-41.4	176.7	0	0	0	0	0	113.1	K633 R634 T635 H639 L640 Y641	K633-G637 PolarHBondContact O-N 3.19Å; R634-G637 PolarHBondContact O-N 2.91Å; R634-G637 VanDerWaalsContact O-N 3.11Å; T635-G637 VanDerWaalsContact C-N 3.32Å; T635-G637 PolarHBondContact O-N 2.96Å; G637-H639 VanDerWaalsContact C-N 3.26Å; G637-H639 PolarHBondContact O-N 3.31Å; G637-L640 PolarHBondContact O-N 3.47Å; G637-Y641 VanDerWaalsContact O-CB 3.27Å; G637-Y641 WeakPolarHBondContact O-CB 3.32Å; G637-Y641 PolarHBondContact O-N 3.02Å
638	E	92.8	Very high	90.1	Very high	103 Å²	103	70.1 Å²	70.1	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-34.7	175.4	-74.1	161.7	177.8	0	0	111.8	R634 T635 P642	R634-E638 WeakPolarHBondContact CG-OE1 3.45Å; R634-E638 IonicContact NE-OE1 3.15Å; R634-E638 PolarHBondContact NE-OE1 2.93Å; R634-E638 VanDerWaalsContact O-CG 3.32Å; R634-E638 WeakPolarHBondContact O-CG 3.23Å; R634-E638 PolarHBondContact O-N 2.98Å; T635-E638 PolarHBondContact O-N 3.42Å; E638-P642 WeakPolarHBondContact O-CD 3.18Å; E638-P642 WeakPolarHBondContact O-CG 3.48Å
639	H	91.1	Very high	90.5	Very high	88 Å²	88	71.3 Å²	71.3	41%	0.407	35%	0.351	S	S	.	.	H	α-helix	trans	-88.7	-34.6	177.1	-77.9	-100.5	0	0	0	114.7	L619 T635 L636 G637 L671	L619-H639 WeakPolarHBondContact CD1-CE1 3.46Å; L619-H639 HydrophobicContact CD2-CB 4.21Å; T635-H639 PolarHBondContact O-CD2 3.18Å; T635-H639 PolarHBondContact O-N 2.67Å; L636-H639 PolarHBondContact O-N 2.81Å; G637-H639 VanDerWaalsContact C-N 3.26Å; G637-H639 PolarHBondContact O-N 3.31Å; H639-L671 HydrophobicContact CB-CD1 4.02Å; H639-L671 HydrophobicContact CB-CD2 4.3Å
640	L	92.3	Very high	91	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-46.9	177	-84.1	168.5	0	0	0	112.5	L636 G637 R643 I644 T656 L659 L660 V667 L671 L677	L636-L640 VanDerWaalsContact O-CB 3.31Å; L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.35Å; G637-L640 PolarHBondContact O-N 3.47Å; L640-R643 PolarHBondContact O-N 3.4Å; L640-I644 HydrophobicContact CB-CD1 4.04Å; L640-I644 HydrophobicContact CD2-CD1 4.14Å; L640-I644 WeakPolarHBondContact O-CG1 3.15Å; L640-I644 PolarHBondContact O-N 2.99Å; L640-T656 HydrophobicContact CB-CG2 4.06Å; L640-L659 HydrophobicContact CD1-CB 4.09Å; L640-L659 HydrophobicContact CD2-CD1 4.37Å; L640-L660 HydrophobicContact CD1-CD2 3.97Å; L640-L660 HydrophobicContact CD1-CG 4.19Å; L640-V667 HydrophobicContact CD1-CG1 3.72Å; L640-V667 HydrophobicContact CD2-CG1 4.19Å; L640-V667 HydrophobicContact CG-CG1 4.04Å; L640-L671 HydrophobicContact CD2-CD2 4.17Å; L640-L671 HydrophobicContact CG-CD2 4.4Å; L640-L677 HydrophobicContact CD2-CD1 4.05Å
641	Y	95	Very high	91.3	Very high	85 Å²	85	66.6 Å²	66.6	33%	0.333	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-42.7	-168	177.8	-110.5	0	0	0	114	G637 I644 K645 A652 N653	G637-Y641 VanDerWaalsContact O-CB 3.27Å; G637-Y641 WeakPolarHBondContact O-CB 3.32Å; G637-Y641 PolarHBondContact O-N 3.02Å; Y641-I644 PolarHBondContact O-N 3.24Å; Y641-K645 HydrophobicContact CE1-CD 4.18Å; Y641-K645 WeakPolarHBondContact O-CB 3.29Å; Y641-K645 PolarHBondContact O-N 2.89Å; Y641-A652 HydrophobicContact CD2-CB 4.02Å; Y641-A652 HydrophobicContact CE2-CB 3.63Å; Y641-N653 VanDerWaalsContact CE2-OD1 3.24Å; Y641-N653 WeakPolarHBondContact CE2-OD1 3.49Å
642	P	94.1	Very high	91.7	Very high	77 Å²	77	64 Å²	64	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176.5	-23.7	35.1	0	0	0	113.2	E638 K645 A646	E638-P642 WeakPolarHBondContact O-CD 3.18Å; E638-P642 WeakPolarHBondContact O-CG 3.48Å; P642-K645 PolarHBondContact O-N 3.41Å; P642-A646 PolarHBondContact O-N 2.78Å; P642-A646 VanDerWaalsContact O-N 3.16Å
643	R	92.8	Very high	91.9	Very high	114 Å²	114	68.5 Å²	68.5	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-47.5	177.8	-69.9	-76.1	-165.1	146.6	9.3	111.2	L640 A646 E674 L677	L640-R643 PolarHBondContact O-N 3.4Å; R643-A646 PolarHBondContact O-N 3.17Å; R643-E674 IonicContact NH1-OE2 2.79Å; R643-E674 PolarHBondContact NH1-OE2 2.92Å; R643-L677 HydrophobicContact CB-CD2 3.76Å; R643-L677 HydrophobicContact CG-CD2 4.47Å
644	I	94.1	Very high	92.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-38.9	179.8	-61.1	165.7	0	0	0	110.9	L640 Y641 A646 M647 Y648 A652 L655 T656 L659 L677	L640-I644 HydrophobicContact CB-CD1 4.04Å; L640-I644 HydrophobicContact CD2-CD1 4.14Å; L640-I644 WeakPolarHBondContact O-CG1 3.15Å; L640-I644 PolarHBondContact O-N 2.99Å; Y641-I644 PolarHBondContact O-N 3.24Å; I644-A646 VanDerWaalsContact C-N 3.27Å; I644-A646 PolarHBondContact O-N 3.45Å; I644-M647 PolarHBondContact O-N 2.92Å; I644-Y648 PolarHBondContact O-N 3.5Å; I644-A652 HydrophobicContact CG2-CB 4.16Å; I644-L655 HydrophobicContact CG2-CB 3.85Å; I644-L655 HydrophobicContact CG2-CD1 4.07Å; I644-T656 WeakPolarHBondContact CD1-OG1 3.43Å; I644-L659 HydrophobicContact CD1-CD1 3.7Å; I644-L659 HydrophobicContact CG1-CD1 4.49Å; I644-L677 HydrophobicContact CG1-CD1 4.45Å
645	K	94.8	Very high	92.3	Very high	111 Å²	111	63.2 Å²	63.2	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-31	178.8	-174.3	-177.9	176.4	-169.9	0	112.7	Y641 P642 P649 A652	Y641-K645 HydrophobicContact CE1-CD 4.18Å; Y641-K645 WeakPolarHBondContact O-CB 3.29Å; Y641-K645 PolarHBondContact O-N 2.89Å; P642-K645 PolarHBondContact O-N 3.41Å; K645-P649 WeakPolarHBondContact O-CA 3.15Å; K645-P649 WeakPolarHBondContact O-CD 3.4Å; K645-A652 HydrophobicContact CB-CB 4.09Å
646	A	92.7	Very high	92.5	Very high	88 Å²	88	62.4 Å²	62.4	73%	0.727	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-37.5	174.6	0	0	0	0	0	112.8	P642 R643 I644	P642-A646 PolarHBondContact O-N 2.78Å; P642-A646 VanDerWaalsContact O-N 3.16Å; R643-A646 PolarHBondContact O-N 3.17Å; I644-A646 VanDerWaalsContact C-N 3.27Å; I644-A646 PolarHBondContact O-N 3.45Å
647	M	91.9	Very high	92.6	Very high	43 Å²	43	64.8 Å²	64.8	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-88.5	-40.7	-179.4	-66.2	-176.5	-80.5	0	0	113.9	I644 L677 R678	I644-M647 PolarHBondContact O-N 2.92Å; M647-L677 HydrophobicContact CE-CD2 3.72Å; M647-L677 HydrophobicContact CE-CG 3.9Å; M647-R678 HydrophobicContact SD-CB 4.17Å; M647-R678 HydrophobicContact SD-CG 4.33Å
648	Y	92.3	Very high	92.5	Very high	40 Å²	40	67.5 Å²	67.5	16%	0.157	36%	0.358	C	S	.	.			trans	-137.6	62.1	-169.2	-57.1	-73.4	0	0	0	111.9	I644 N650 L651 A652 L655 C681 E682 I685	I644-Y648 PolarHBondContact O-N 3.5Å; Y648-N650 VanDerWaalsContact C-N 3.28Å; Y648-N650 PolarHBondContact O-N 3.36Å; Y648-N650 VanDerWaalsContact O-N 3.14Å; Y648-L651 PolarHBondContact O-N 2.97Å; Y648-A652 PolarHBondContact O-N 2.87Å; Y648-L655 HydrophobicContact CD2-CD1 4.06Å; Y648-L655 HydrophobicContact CG-CD1 4.06Å; Y648-C681 HydrophobicContact CD2-CB 3.77Å; Y648-C681 HydrophobicContact CE2-CB 3.33Å; Y648-E682 WeakPolarHBondContact OH-CG 3.29Å; Y648-E682 PolarHBondContact OH-OE1 3.44Å; Y648-I685 HydrophobicContact CD1-CD1 3.68Å; Y648-I685 HydrophobicContact CE1-CD1 3.47Å; Y648-I685 VanDerWaalsContact CE1-CD1 3.47Å; Y648-I685 HydrophobicContact CG-CD1 4.28Å
649	P	91.3	Very high	92.5	Very high	80 Å²	80	63 Å²	63	52%	0.519	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.3	-171.2	19.6	-32.5	0	0	0	113.7	K645 L651	K645-P649 WeakPolarHBondContact O-CA 3.15Å; K645-P649 WeakPolarHBondContact O-CD 3.4Å; P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 PolarHBondContact O-N 3.11Å
650	N	90.9	Very high	92.5	Very high	158 Å²	158	60.9 Å²	60.9	85%	0.845	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-14	-178.5	-63.1	-12.7	0	0	0	114.2	Y648	Y648-N650 VanDerWaalsContact C-N 3.28Å; Y648-N650 PolarHBondContact O-N 3.36Å; Y648-N650 VanDerWaalsContact O-N 3.14Å
651	L	91.6	Very high	92.2	Very high	51 Å²	51	64.3 Å²	64.3	27%	0.267	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-1.7	-177.3	-65.1	177.5	0	0	0	113.4	Y648 P649 N653 K654 L655 I685	Y648-L651 PolarHBondContact O-N 2.97Å; P649-L651 VanDerWaalsContact C-N 3.27Å; P649-L651 PolarHBondContact O-N 3.11Å; L651-N653 VanDerWaalsContact C-N 3.33Å; L651-N653 PolarHBondContact O-N 3.47Å; L651-K654 PolarHBondContact O-N 3.36Å; L651-L655 HydrophobicContact CB-CD1 3.88Å; L651-L655 HydrophobicContact CB-CG 4.13Å; L651-L655 PolarHBondContact O-N 3.4Å; L651-I685 HydrophobicContact CD1-CD1 4.44Å; L651-I685 HydrophobicContact CD1-CG1 3.91Å
652	A	92.3	Very high	91.8	Very high	2 Å²	2	62.2 Å²	62.2	2%	0.017	36%	0.36	C	S	.	.	H	α-helix	trans	-52.6	-44.3	-169.9	0	0	0	0	0	114	Y641 I644 K645 Y648 K654 T656	Y641-A652 HydrophobicContact CD2-CB 4.02Å; Y641-A652 HydrophobicContact CE2-CB 3.63Å; I644-A652 HydrophobicContact CG2-CB 4.16Å; K645-A652 HydrophobicContact CB-CB 4.09Å; Y648-A652 PolarHBondContact O-N 2.87Å; A652-K654 PolarHBondContact O-N 3.28Å; A652-T656 VanDerWaalsContact O-CB 3.27Å; A652-T656 WeakPolarHBondContact O-CB 3.46Å; A652-T656 PolarHBondContact O-N 2.88Å; A652-T656 PolarHBondContact O-OG1 3.4Å
653	N	91.1	Very high	91.5	Very high	123 Å²	123	63.8 Å²	63.8	66%	0.658	36%	0.363	S	S	*	.	H	α-helix	trans	-60.7	-41	176.6	-68.9	-17.7	0	0	0	112.8	Y641 L651 G657	Y641-N653 VanDerWaalsContact CE2-OD1 3.24Å; Y641-N653 WeakPolarHBondContact CE2-OD1 3.49Å; L651-N653 VanDerWaalsContact C-N 3.33Å; L651-N653 PolarHBondContact O-N 3.47Å; N653-G657 PolarHBondContact O-N 2.81Å; N653-G657 VanDerWaalsContact O-N 3.17Å
654	K	92.1	Very high	91.2	Very high	119 Å²	119	60.8 Å²	60.8	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-73.2	-46.6	-179.3	-67.5	-176.4	178.6	179	0	111.2	L651 A652 G657 M658 L688	L651-K654 PolarHBondContact O-N 3.36Å; A652-K654 PolarHBondContact O-N 3.28Å; K654-G657 PolarHBondContact O-N 2.87Å; K654-M658 WeakPolarHBondContact O-CG 3.14Å; K654-M658 PolarHBondContact O-N 3.48Å; K654-L688 HydrophobicContact CB-CD1 4.09Å; K654-L688 HydrophobicContact CD-CD1 4.43Å; K654-L688 HydrophobicContact CD-CD2 4.17Å
655	L	93.2	Very high	90.8	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-40.9	-180	-67.8	173.5	0	0	0	111.9	I644 Y648 L651 M658 L659 C681 I685 L688	I644-L655 HydrophobicContact CG2-CB 3.85Å; I644-L655 HydrophobicContact CG2-CD1 4.07Å; Y648-L655 HydrophobicContact CD2-CD1 4.06Å; Y648-L655 HydrophobicContact CG-CD1 4.06Å; L651-L655 HydrophobicContact CB-CD1 3.88Å; L651-L655 HydrophobicContact CB-CG 4.13Å; L651-L655 PolarHBondContact O-N 3.4Å; L655-M658 PolarHBondContact O-N 3.05Å; L655-L659 WeakPolarHBondContact O-CB 3.17Å; L655-L659 WeakPolarHBondContact O-CG 3.24Å; L655-L659 PolarHBondContact O-N 3.02Å; L655-C681 HydrophobicContact CD1-CB 4.28Å; L655-I685 HydrophobicContact CD1-CG1 4.4Å; L655-I685 HydrophobicContact CD2-CG1 4.33Å; L655-L688 HydrophobicContact CD2-CD1 4.13Å
656	T	94	Very high	90.5	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-46.3	173.5	-50.7	0	0	0	0	110.8	L640 I644 A652 M658 L659 L660	L640-T656 HydrophobicContact CB-CG2 4.06Å; I644-T656 WeakPolarHBondContact CD1-OG1 3.43Å; A652-T656 VanDerWaalsContact O-CB 3.27Å; A652-T656 WeakPolarHBondContact O-CB 3.46Å; A652-T656 PolarHBondContact O-N 2.88Å; A652-T656 PolarHBondContact O-OG1 3.4Å; T656-M658 VanDerWaalsContact C-N 3.28Å; T656-M658 PolarHBondContact O-N 2.79Å; T656-L659 PolarHBondContact O-N 3.01Å; T656-L660 HydrophobicContact CG2-CD1 4.03Å; T656-L660 HydrophobicContact CG2-CG 4.4Å; T656-L660 WeakPolarHBondContact O-CG 3.27Å; T656-L660 PolarHBondContact O-N 3.42Å
657	G	91.7	Very high	90.3	Very high	51 Å²	51	56.6 Å²	56.6	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-30.2	177.2	0	0	0	0	0	114.2	N653 K654	N653-G657 PolarHBondContact O-N 2.81Å; N653-G657 VanDerWaalsContact O-N 3.17Å; K654-G657 PolarHBondContact O-N 2.87Å
658	M	91.3	Very high	90.1	Very high	70 Å²	70	55 Å²	55	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-74	-43	172.9	-71.1	173	66.7	0	0	112.1	K654 L655 T656 G661 V687 L688	K654-M658 WeakPolarHBondContact O-CG 3.14Å; K654-M658 PolarHBondContact O-N 3.48Å; L655-M658 PolarHBondContact O-N 3.05Å; T656-M658 VanDerWaalsContact C-N 3.28Å; T656-M658 PolarHBondContact O-N 2.79Å; M658-G661 PolarHBondContact O-N 2.91Å; M658-G661 VanDerWaalsContact O-N 3.11Å; M658-V687 HydrophobicContact CE-CB 4.02Å; M658-V687 HydrophobicContact CE-CG1 3.92Å; M658-L688 HydrophobicContact SD-CD1 4.07Å; M658-L688 HydrophobicContact SD-CD2 4.08Å; M658-L688 HydrophobicContact SD-CG 3.9Å
659	L	91.8	Very high	89.9	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-71.3	-29.3	-178.6	-70.5	167.3	0	0	0	112.8	L640 I644 L655 T656 G661 V662 V667 L670 L677 K680	L640-L659 HydrophobicContact CD1-CB 4.09Å; L640-L659 HydrophobicContact CD2-CD1 4.37Å; I644-L659 HydrophobicContact CD1-CD1 3.7Å; I644-L659 HydrophobicContact CG1-CD1 4.49Å; L655-L659 WeakPolarHBondContact O-CB 3.17Å; L655-L659 WeakPolarHBondContact O-CG 3.24Å; L655-L659 PolarHBondContact O-N 3.02Å; T656-L659 PolarHBondContact O-N 3.01Å; L659-G661 PolarHBondContact O-N 2.93Å; L659-V662 HydrophobicContact CD2-CG2 4.43Å; L659-V662 WeakPolarHBondContact O-CB 3.3Å; L659-V662 WeakPolarHBondContact O-CG2 3.39Å; L659-V662 PolarHBondContact O-N 3.11Å; L659-V662 VanDerWaalsContact O-N 3.08Å; L659-V667 WeakPolarHBondContact O-CG2 3.43Å; L659-L670 HydrophobicContact CD2-CD1 3.98Å; L659-L677 HydrophobicContact CD1-CD1 4.02Å; L659-K680 HydrophobicContact CD2-CB 4.15Å
660	L	91.7	Very high	89.8	Confident	44 Å²	44	53.8 Å²	53.8	23%	0.23	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-1.8	169.2	-69.7	173.7	0	0	0	114.4	K633 L636 L640 T656	K633-L660 WeakPolarHBondContact O-CD2 3.37Å; L636-L660 HydrophobicContact CB-CD2 3.63Å; L640-L660 HydrophobicContact CD1-CD2 3.97Å; L640-L660 HydrophobicContact CD1-CG 4.19Å; T656-L660 HydrophobicContact CG2-CD1 4.03Å; T656-L660 HydrophobicContact CG2-CG 4.4Å; T656-L660 WeakPolarHBondContact O-CG 3.27Å; T656-L660 PolarHBondContact O-N 3.42Å
661	G	85.2	Confident	89.7	Confident	71 Å²	71	47.7 Å²	47.7	73%	0.732	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.3	168.3	0	0	0	0	0	114.5	M658 L659	M658-G661 PolarHBondContact O-N 2.91Å; M658-G661 VanDerWaalsContact O-N 3.11Å; L659-G661 PolarHBondContact O-N 2.93Å
662	V	86.9	Confident	89.5	Confident	42 Å²	42	52 Å²	52	26%	0.255	30%	0.3	S	S	.	.	S	Bend	trans	-95.8	163.2	-179.3	-169.3	0	0	0	0	109.7	L659 N664 E666 V667	L659-V662 HydrophobicContact CD2-CG2 4.43Å; L659-V662 WeakPolarHBondContact O-CB 3.3Å; L659-V662 WeakPolarHBondContact O-CG2 3.39Å; L659-V662 PolarHBondContact O-N 3.11Å; L659-V662 VanDerWaalsContact O-N 3.08Å; V662-N664 PolarHBondContact O-N 2.99Å; V662-E666 HydrophobicContact CG1-CB 3.89Å; V662-E666 HydrophobicContact CG1-CG 3.79Å; V662-E666 WeakPolarHBondContact CG1-OE2 3.33Å; V662-V667 HydrophobicContact CB-CG2 4.22Å
663	D	87.9	Confident	89.3	Confident	109 Å²	109	53.6 Å²	53.6	58%	0.583	31%	0.31	S	S	*	.			trans	-59.9	134.6	178.1	-168.9	-63	0	0	0	111.2	A665 E666 V667	D663-A665 PolarHBondContact O-N 3.3Å; D663-A665 VanDerWaalsContact O-N 3.09Å; D663-A665 WeakPolarHBondContact OD1-CB 3.3Å; D663-A665 PolarHBondContact OD1-N 2.86Å; D663-E666 HydrophobicContact CB-CB 4.44Å; D663-E666 WeakPolarHBondContact O-CA 3.38Å; D663-E666 WeakPolarHBondContact O-CB 3.37Å; D663-E666 PolarHBondContact O-N 3.08Å; D663-V667 PolarHBondContact O-N 2.99Å
664	N	87.6	Confident	89.2	Confident	51 Å²	51	53 Å²	53	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-51.5	-35.9	-179.9	-67.9	-3.2	0	0	0	112.7	Q632 L636 V662 V667 I668	Q632-N664 PolarHBondContact OE1-ND2 3.07Å; L636-N664 HydrophobicContact CD1-CB 4.28Å; V662-N664 PolarHBondContact O-N 2.99Å; N664-V667 PolarHBondContact O-N 2.84Å; N664-I668 VanDerWaalsContact O-CD1 3.31Å; N664-I668 WeakPolarHBondContact O-CD1 3.48Å; N664-I668 WeakPolarHBondContact O-CG1 3.34Å; N664-I668 PolarHBondContact O-N 3.12Å
665	A	84.4	Confident	89.1	Confident	37 Å²	37	55 Å²	55	31%	0.306	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-34.1	178.3	0	0	0	0	0	112.6	D663 N669	D663-A665 PolarHBondContact O-N 3.3Å; D663-A665 VanDerWaalsContact O-N 3.09Å; D663-A665 WeakPolarHBondContact OD1-CB 3.3Å; D663-A665 PolarHBondContact OD1-N 2.86Å; A665-N669 PolarHBondContact O-N 2.79Å; A665-N669 PolarHBondContact O-OD1 3.15Å
666	E	88.2	Confident	89	Confident	75 Å²	75	59.3 Å²	59.3	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-42.4	171.6	-176	173.2	165.7	0	0	109.8	V662 D663 I668 N669 L670 K680	V662-E666 HydrophobicContact CG1-CB 3.89Å; V662-E666 HydrophobicContact CG1-CG 3.79Å; V662-E666 WeakPolarHBondContact CG1-OE2 3.33Å; D663-E666 HydrophobicContact CB-CB 4.44Å; D663-E666 WeakPolarHBondContact O-CA 3.38Å; D663-E666 WeakPolarHBondContact O-CB 3.37Å; D663-E666 PolarHBondContact O-N 3.08Å; E666-I668 VanDerWaalsContact C-N 3.33Å; E666-I668 PolarHBondContact O-N 3.04Å; E666-N669 PolarHBondContact O-N 3.2Å; E666-L670 HydrophobicContact CG-CD1 4.49Å; E666-L670 VanDerWaalsContact O-CG 3.28Å; E666-L670 WeakPolarHBondContact O-CG 3.26Å; E666-L670 PolarHBondContact O-N 2.8Å; E666-K680 VanDerWaalsContact OE1-CE 3.23Å; E666-K680 WeakPolarHBondContact OE1-CE 3.43Å; E666-K680 IonicContact OE1-NZ 2.91Å
667	V	89.2	Confident	89	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-40.6	175.7	179.5	0	0	0	0	112.5	L636 L640 L659 V662 D663 N664 L670 L671	L636-V667 HydrophobicContact CB-CG1 4.43Å; L636-V667 HydrophobicContact CD1-CB 4.48Å; L636-V667 HydrophobicContact CD1-CG1 4.3Å; L636-V667 HydrophobicContact CD2-CG1 3.9Å; L636-V667 HydrophobicContact CG-CG1 4.45Å; L640-V667 HydrophobicContact CD1-CG1 3.72Å; L640-V667 HydrophobicContact CD2-CG1 4.19Å; L640-V667 HydrophobicContact CG-CG1 4.04Å; L659-V667 WeakPolarHBondContact O-CG2 3.43Å; V662-V667 HydrophobicContact CB-CG2 4.22Å; D663-V667 PolarHBondContact O-N 2.99Å; N664-V667 PolarHBondContact O-N 2.84Å; V667-L670 PolarHBondContact O-N 3.36Å; V667-L671 WeakPolarHBondContact O-CG 3.35Å; V667-L671 PolarHBondContact O-N 2.83Å; V667-L671 VanDerWaalsContact O-N 3.1Å
668	I	88	Confident	89.1	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.046	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-46	176.4	-67	157.5	0	0	0	110.7	I621 L624 N664 E666 L670 L671 E672	I621-I668 HydrophobicContact CB-CD1 4.38Å; I621-I668 HydrophobicContact CG1-CD1 3.5Å; I621-I668 VanDerWaalsContact CG1-CD1 3.5Å; L624-I668 HydrophobicContact CD1-CD1 3.6Å; L624-I668 HydrophobicContact CD1-CG1 3.95Å; N664-I668 VanDerWaalsContact O-CD1 3.31Å; N664-I668 WeakPolarHBondContact O-CD1 3.48Å; N664-I668 WeakPolarHBondContact O-CG1 3.34Å; N664-I668 PolarHBondContact O-N 3.12Å; E666-I668 VanDerWaalsContact C-N 3.33Å; E666-I668 PolarHBondContact O-N 3.04Å; I668-L670 PolarHBondContact O-N 3.13Å; I668-L671 WeakPolarHBondContact O-CA 3.4Å; I668-L671 WeakPolarHBondContact O-CB 3.5Å; I668-L671 PolarHBondContact O-N 2.82Å; I668-E672 PolarHBondContact O-N 2.78Å; I668-E672 VanDerWaalsContact O-N 3.1Å
669	N	88	Confident	89.1	Confident	87 Å²	87	61.8 Å²	61.8	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-31.4	175.6	-64.6	-3.1	0	0	0	112.6	A665 E666 E672 S673	A665-N669 PolarHBondContact O-N 2.79Å; A665-N669 PolarHBondContact O-OD1 3.15Å; E666-N669 PolarHBondContact O-N 3.2Å; N669-E672 PolarHBondContact O-N 3.12Å; N669-S673 PolarHBondContact O-N 2.64Å
670	L	89.6	Confident	89.1	Confident	8 Å²	8	64 Å²	64	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-73.9	-24.7	173.3	-61.1	172.6	0	0	0	112.9	L659 E666 V667 I668 L676 L677 K680	L659-L670 HydrophobicContact CD2-CD1 3.98Å; E666-L670 HydrophobicContact CG-CD1 4.49Å; E666-L670 VanDerWaalsContact O-CG 3.28Å; E666-L670 WeakPolarHBondContact O-CG 3.26Å; E666-L670 PolarHBondContact O-N 2.8Å; V667-L670 PolarHBondContact O-N 3.36Å; I668-L670 PolarHBondContact O-N 3.13Å; L670-L676 VanDerWaalsContact CD2-C 3.45Å; L670-L676 HydrophobicContact CD2-CB 3.66Å; L670-L676 WeakPolarHBondContact CD2-O 3.4Å; L670-L677 HydrophobicContact CB-CB 4.36Å; L670-L677 HydrophobicContact CB-CD1 4.08Å; L670-L677 WeakPolarHBondContact O-CB 3.46Å; L670-K680 HydrophobicContact CD1-CB 4.21Å; L670-K680 HydrophobicContact CD1-CG 3.98Å; L670-K680 HydrophobicContact CD2-CB 4.19Å; L670-K680 HydrophobicContact CD2-CG 3.69Å
671	L	88.9	Confident	89.2	Confident	29 Å²	29	61.9 Å²	61.9	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-78.5	-22.5	171.6	-67.6	171.2	0	0	0	112.3	L619 H639 L640 V667 I668	L619-L671 HydrophobicContact CD2-CD1 4.17Å; H639-L671 HydrophobicContact CB-CD1 4.02Å; H639-L671 HydrophobicContact CB-CD2 4.3Å; L640-L671 HydrophobicContact CD2-CD2 4.17Å; L640-L671 HydrophobicContact CG-CD2 4.4Å; V667-L671 WeakPolarHBondContact O-CG 3.35Å; V667-L671 PolarHBondContact O-N 2.83Å; V667-L671 VanDerWaalsContact O-N 3.1Å; I668-L671 WeakPolarHBondContact O-CA 3.4Å; I668-L671 WeakPolarHBondContact O-CB 3.5Å; I668-L671 PolarHBondContact O-N 2.82Å
672	E	87.4	Confident	89.6	Confident	143 Å²	143	62.5 Å²	62.5	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-82.1	-28.2	174.6	-67.8	-178.3	172.3	0	0	113.6	I668 N669	I668-E672 PolarHBondContact O-N 2.78Å; I668-E672 VanDerWaalsContact O-N 3.1Å; N669-E672 PolarHBondContact O-N 3.12Å
673	S	87.5	Confident	89.8	Confident	34 Å²	34	65.4 Å²	65.4	24%	0.238	33%	0.33	C	S	.	.			trans	-128.5	114	179	178.3	0	0	0	0	113.3	N669 E675 L676 L677	N669-S673 PolarHBondContact O-N 2.64Å; S673-E675 VanDerWaalsContact C-N 3.29Å; S673-E675 PolarHBondContact O-N 3.32Å; S673-L676 PolarHBondContact O-N 3.14Å; S673-L676 PolarHBondContact OG-N 3.02Å; S673-L677 PolarHBondContact O-N 3.16Å
674	E	89.5	Confident	89.9	Confident	110 Å²	110	60.6 Å²	60.6	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-31.2	177.2	-167.9	161.1	138.8	0	0	112.7	R643 L677 R678	R643-E674 IonicContact NH1-OE2 2.79Å; R643-E674 PolarHBondContact NH1-OE2 2.92Å; E674-L677 PolarHBondContact O-N 2.67Å; E674-R678 WeakPolarHBondContact O-CB 3.49Å; E674-R678 PolarHBondContact O-N 3.38Å
675	E	89.7	Confident	90.1	Very high	162 Å²	162	59.3 Å²	59.3	76%	0.757	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-45.3	174.9	-61.2	-177.5	152.2	0	0	111.6	S673 R678 A679	S673-E675 VanDerWaalsContact C-N 3.29Å; S673-E675 PolarHBondContact O-N 3.32Å; E675-R678 PolarHBondContact O-N 2.98Å; E675-A679 PolarHBondContact O-N 2.86Å
676	L	91	Very high	90.4	Very high	94 Å²	94	61.5 Å²	61.5	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-41.5	176.3	-62.6	-179.4	0	0	0	111.3	L670 S673 R678 A679 K680	L670-L676 VanDerWaalsContact CD2-C 3.45Å; L670-L676 HydrophobicContact CD2-CB 3.66Å; L670-L676 WeakPolarHBondContact CD2-O 3.4Å; S673-L676 PolarHBondContact O-N 3.14Å; S673-L676 PolarHBondContact OG-N 3.02Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 PolarHBondContact O-N 2.87Å; L676-A679 PolarHBondContact O-N 3.25Å; L676-K680 PolarHBondContact O-N 3.24Å
677	L	93.9	Very high	90.4	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-41.2	175.1	-176.4	61.7	0	0	0	111.8	L640 R643 I644 M647 L659 L670 S673 E674 K680 C681	L640-L677 HydrophobicContact CD2-CD1 4.05Å; R643-L677 HydrophobicContact CB-CD2 3.76Å; R643-L677 HydrophobicContact CG-CD2 4.47Å; I644-L677 HydrophobicContact CG1-CD1 4.45Å; M647-L677 HydrophobicContact CE-CD2 3.72Å; M647-L677 HydrophobicContact CE-CG 3.9Å; L659-L677 HydrophobicContact CD1-CD1 4.02Å; L670-L677 HydrophobicContact CB-CB 4.36Å; L670-L677 HydrophobicContact CB-CD1 4.08Å; L670-L677 WeakPolarHBondContact O-CB 3.46Å; S673-L677 PolarHBondContact O-N 3.16Å; E674-L677 PolarHBondContact O-N 2.67Å; L677-K680 PolarHBondContact O-N 2.91Å; L677-C681 WeakPolarHBondContact O-CB 3.3Å; L677-C681 PolarHBondContact O-N 3.18Å; L677-C681 PolarHBondContact O-SG 3.11Å
678	R	92.9	Very high	90.3	Very high	131 Å²	131	63 Å²	63	49%	0.494	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-49.2	176.5	-171.1	-173.2	-176.7	113.3	0.7	111.4	M647 E674 E675 L676 K680 C681 E682	M647-R678 HydrophobicContact SD-CB 4.17Å; M647-R678 HydrophobicContact SD-CG 4.33Å; E674-R678 WeakPolarHBondContact O-CB 3.49Å; E674-R678 PolarHBondContact O-N 3.38Å; E675-R678 PolarHBondContact O-N 2.98Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 PolarHBondContact O-N 2.87Å; R678-K680 VanDerWaalsContact C-N 3.28Å; R678-K680 PolarHBondContact O-N 3.41Å; R678-C681 WeakPolarHBondContact O-CA 3.42Å; R678-C681 WeakPolarHBondContact O-CB 3.15Å; R678-C681 PolarHBondContact O-N 2.6Å; R678-E682 IonicContact CZ-OE1 2.71Å; R678-E682 IonicContact NE-OE1 3.96Å; R678-E682 PolarHBondContact NE-OE1 3.37Å; R678-E682 VanDerWaalsContact NE-OE1 3.16Å; R678-E682 IonicContact NH2-OE1 3.73Å; R678-E682 PolarHBondContact O-N 3.39Å
679	A	92.5	Very high	90.2	Very high	50 Å²	50	69.9 Å²	69.9	41%	0.413	34%	0.344	S	S	.	.	H	α-helix	trans	-56.6	-42.4	176.9	0	0	0	0	0	111.8	E675 L676 E682 E683	E675-A679 PolarHBondContact O-N 2.86Å; L676-A679 PolarHBondContact O-N 3.25Å; A679-E682 PolarHBondContact O-N 3.34Å; A679-E683 PolarHBondContact O-N 3.38Å
680	K	91.6	Very high	89.8	Confident	55 Å²	55	69 Å²	69	24%	0.239	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-33.4	174.6	-78.2	-74.4	167.1	-167.9	0	113.9	L659 E666 L670 L676 L677 R678 E682 E683 G684	L659-K680 HydrophobicContact CD2-CB 4.15Å; E666-K680 VanDerWaalsContact OE1-CE 3.23Å; E666-K680 WeakPolarHBondContact OE1-CE 3.43Å; E666-K680 IonicContact OE1-NZ 2.91Å; L670-K680 HydrophobicContact CD1-CB 4.21Å; L670-K680 HydrophobicContact CD1-CG 3.98Å; L670-K680 HydrophobicContact CD2-CB 4.19Å; L670-K680 HydrophobicContact CD2-CG 3.69Å; L676-K680 PolarHBondContact O-N 3.24Å; L677-K680 PolarHBondContact O-N 2.91Å; R678-K680 VanDerWaalsContact C-N 3.28Å; R678-K680 PolarHBondContact O-N 3.41Å; K680-E682 VanDerWaalsContact C-N 3.34Å; K680-E683 WeakPolarHBondContact CE-OE1 3.21Å; K680-E683 VanDerWaalsContact NZ-CD 3.3Å; K680-E683 IonicContact NZ-OE1 3.49Å; K680-E683 PolarHBondContact NZ-OE1 3.2Å; K680-E683 IonicContact NZ-OE2 3.6Å; K680-E683 PolarHBondContact NZ-OE2 2.98Å; K680-G684 PolarHBondContact O-N 2.82Å
681	C	93.7	Very high	89.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-38	170.2	-70.4	0	0	0	0	111.6	Y648 L655 L677 R678 G684 I685	Y648-C681 HydrophobicContact CD2-CB 3.77Å; Y648-C681 HydrophobicContact CE2-CB 3.33Å; L655-C681 HydrophobicContact CD1-CB 4.28Å; L677-C681 WeakPolarHBondContact O-CB 3.3Å; L677-C681 PolarHBondContact O-N 3.18Å; L677-C681 PolarHBondContact O-SG 3.11Å; R678-C681 WeakPolarHBondContact O-CA 3.42Å; R678-C681 WeakPolarHBondContact O-CB 3.15Å; R678-C681 PolarHBondContact O-N 2.6Å; C681-G684 CarbonylContact O-C 3.58Å; C681-G684 PolarHBondContact O-N 2.64Å; C681-I685 VanDerWaalsContact O-CG1 3.27Å; C681-I685 WeakPolarHBondContact O-CG1 3.39Å; C681-I685 PolarHBondContact O-N 2.88Å
682	E	92.5	Very high	88.2	Confident	84 Å²	84	75.4 Å²	75.4	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-70.6	-37.9	177.5	-68.2	179.7	-169.7	0	0	112.3	Y648 R678 A679 K680 G684 I685 N686	Y648-E682 WeakPolarHBondContact OH-CG 3.29Å; Y648-E682 PolarHBondContact OH-OE1 3.44Å; R678-E682 IonicContact CZ-OE1 2.71Å; R678-E682 IonicContact NE-OE1 3.96Å; R678-E682 PolarHBondContact NE-OE1 3.37Å; R678-E682 VanDerWaalsContact NE-OE1 3.16Å; R678-E682 IonicContact NH2-OE1 3.73Å; R678-E682 PolarHBondContact O-N 3.39Å; A679-E682 PolarHBondContact O-N 3.34Å; K680-E682 VanDerWaalsContact C-N 3.34Å; E682-G684 VanDerWaalsContact C-N 3.34Å; E682-G684 PolarHBondContact O-N 2.91Å; E682-I685 PolarHBondContact O-N 3.12Å; E682-N686 PolarHBondContact O-N 3.32Å; E682-N686 PolarHBondContact O-ND2 3.1Å
683	E	90.9	Very high	86.8	Confident	104 Å²	104	74.2 Å²	74.2	49%	0.486	38%	0.377	S	S	.	.	H	α-helix	trans	-53.7	-50	164.3	-75	-178.8	-150.8	0	0	111.1	A679 K680 I685 N686 V687	A679-E683 PolarHBondContact O-N 3.38Å; K680-E683 WeakPolarHBondContact CE-OE1 3.21Å; K680-E683 VanDerWaalsContact NZ-CD 3.3Å; K680-E683 IonicContact NZ-OE1 3.49Å; K680-E683 PolarHBondContact NZ-OE1 3.2Å; K680-E683 IonicContact NZ-OE2 3.6Å; K680-E683 PolarHBondContact NZ-OE2 2.98Å; E683-I685 PolarHBondContact O-N 2.87Å; E683-N686 PolarHBondContact O-N 3.48Å; E683-V687 PolarHBondContact O-N 3.04Å
684	G	91.9	Very high	85.1	Confident	8 Å²	8	78.8 Å²	78.8	8%	0.082	40%	0.395	C	S	.	.	H	α-helix	trans	-61.9	-39.7	179.6	0	0	0	0	0	113.7	K680 C681 E682 V687 L688	K680-G684 PolarHBondContact O-N 2.82Å; C681-G684 CarbonylContact O-C 3.58Å; C681-G684 PolarHBondContact O-N 2.64Å; E682-G684 VanDerWaalsContact C-N 3.34Å; E682-G684 PolarHBondContact O-N 2.91Å; G684-V687 PolarHBondContact O-N 3.3Å; G684-L688 WeakPolarHBondContact O-CB 3.43Å; G684-L688 WeakPolarHBondContact O-CG 3.49Å; G684-L688 PolarHBondContact O-N 3.23Å
685	I	92	Very high	83.1	Confident	23 Å²	23	80.3 Å²	80.3	12%	0.118	40%	0.402	C	S	.	.	H	α-helix	trans	-63.6	-40.9	174.6	-72	163	0	0	0	110.9	Y648 L651 L655 C681 E682 E683 L688 R689	Y648-I685 HydrophobicContact CD1-CD1 3.68Å; Y648-I685 HydrophobicContact CE1-CD1 3.47Å; Y648-I685 VanDerWaalsContact CE1-CD1 3.47Å; Y648-I685 HydrophobicContact CG-CD1 4.28Å; L651-I685 HydrophobicContact CD1-CD1 4.44Å; L651-I685 HydrophobicContact CD1-CG1 3.91Å; L655-I685 HydrophobicContact CD1-CG1 4.4Å; L655-I685 HydrophobicContact CD2-CG1 4.33Å; C681-I685 VanDerWaalsContact O-CG1 3.27Å; C681-I685 WeakPolarHBondContact O-CG1 3.39Å; C681-I685 PolarHBondContact O-N 2.88Å; E682-I685 PolarHBondContact O-N 3.12Å; E683-I685 PolarHBondContact O-N 2.87Å; I685-L688 PolarHBondContact O-N 2.95Å; I685-R689 WeakPolarHBondContact O-CG 3.38Å; I685-R689 PolarHBondContact O-N 3.4Å
686	N	89.3	Confident	80.7	Confident	84 Å²	84	74.5 Å²	74.5	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-34.6	178.1	-70.7	-30.4	0	0	0	112.4	E682 E683 R689 S690	E682-N686 PolarHBondContact O-N 3.32Å; E682-N686 PolarHBondContact O-ND2 3.1Å; E683-N686 PolarHBondContact O-N 3.48Å; N686-R689 PolarHBondContact OD1-NH1 2.97Å; N686-S690 WeakPolarHBondContact O-CB 3.47Å; N686-S690 PolarHBondContact O-N 2.81Å; N686-S690 PolarHBondContact O-OG 3.42Å
687	V	88.2	Confident	78.3	Confident	78 Å²	78	77.1 Å²	77.1	47%	0.473	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-46.3	168.3	171.9	0	0	0	0	111	M658 E683 G684 R689 S690 S691	M658-V687 HydrophobicContact CE-CB 4.02Å; M658-V687 HydrophobicContact CE-CG1 3.92Å; E683-V687 PolarHBondContact O-N 3.04Å; G684-V687 PolarHBondContact O-N 3.3Å; V687-R689 VanDerWaalsContact C-N 3.33Å; V687-R689 PolarHBondContact O-N 3.1Å; V687-S690 PolarHBondContact O-N 3.44Å; V687-S691 PolarHBondContact O-N 3.07Å; V687-S691 PolarHBondContact O-OG 3.02Å
688	L	87.5	Confident	75.7	Confident	29 Å²	29	83.6 Å²	83.6	15%	0.152	43%	0.433	C	S	.	.	H	α-helix	trans	-64.7	-32.1	179	-73.3	170.7	0	0	0	113.5	K654 L655 M658 G684 I685 Q692	K654-L688 HydrophobicContact CB-CD1 4.09Å; K654-L688 HydrophobicContact CD-CD1 4.43Å; K654-L688 HydrophobicContact CD-CD2 4.17Å; L655-L688 HydrophobicContact CD2-CD1 4.13Å; M658-L688 HydrophobicContact SD-CD1 4.07Å; M658-L688 HydrophobicContact SD-CD2 4.08Å; M658-L688 HydrophobicContact SD-CG 3.9Å; G684-L688 WeakPolarHBondContact O-CB 3.43Å; G684-L688 WeakPolarHBondContact O-CG 3.49Å; G684-L688 PolarHBondContact O-N 3.23Å; I685-L688 PolarHBondContact O-N 2.95Å; L688-Q692 WeakPolarHBondContact O-CG 3.47Å; L688-Q692 PolarHBondContact O-N 2.87Å; L688-Q692 PolarHBondContact O-NE2 3.42Å
689	R	85.8	Confident	73.2	Confident	153 Å²	153	81.3 Å²	81.3	58%	0.577	44%	0.442	S	S	*	.	H	α-helix	trans	-68	-48.1	169.9	-75.2	169.5	170.2	167.6	-6.1	111.2	I685 N686 V687 S691 Q692 N693	I685-R689 WeakPolarHBondContact O-CG 3.38Å; I685-R689 PolarHBondContact O-N 3.4Å; N686-R689 PolarHBondContact OD1-NH1 2.97Å; V687-R689 VanDerWaalsContact C-N 3.33Å; V687-R689 PolarHBondContact O-N 3.1Å; R689-S691 VanDerWaalsContact C-N 3.27Å; R689-S691 PolarHBondContact O-N 3.48Å; R689-Q692 PolarHBondContact O-N 3.19Å; R689-N693 PolarHBondContact O-N 3.23Å; R689-N693 PolarHBondContact O-OD1 2.86Å
690	S	78.6	Confident	70.4	Confident	68 Å²	68	88 Å²	88	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-36.7	179.8	-58.5	0	0	0	0	112.8	N686 V687 Q694	N686-S690 WeakPolarHBondContact O-CB 3.47Å; N686-S690 PolarHBondContact O-N 2.81Å; N686-S690 PolarHBondContact O-OG 3.42Å; V687-S690 PolarHBondContact O-N 3.44Å; S690-Q694 PolarHBondContact O-N 2.9Å; S690-Q694 PolarHBondContact O-NE2 2.72Å
691	S	75.9	Confident	67.6	Low	53 Å²	53	88.4 Å²	88.4	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-73.5	-35.2	174.1	-61.1	0	0	0	0	113.1	V687 R689 Q694 Q695	V687-S691 PolarHBondContact O-N 3.07Å; V687-S691 PolarHBondContact O-OG 3.02Å; R689-S691 VanDerWaalsContact C-N 3.27Å; R689-S691 PolarHBondContact O-N 3.48Å; S691-Q694 PolarHBondContact O-N 3.18Å; S691-Q695 PolarHBondContact O-N 3.12Å
692	Q	69.5	Low	64.7	Low	118 Å²	118	99.8 Å²	99.8	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-67.6	-41.9	177.5	-84.9	169.9	92.6	0	0	112.2	L688 R689 Q694 Q695 G696	L688-Q692 WeakPolarHBondContact O-CG 3.47Å; L688-Q692 PolarHBondContact O-N 2.87Å; L688-Q692 PolarHBondContact O-NE2 3.42Å; R689-Q692 PolarHBondContact O-N 3.19Å; Q692-Q694 VanDerWaalsContact C-N 3.32Å; Q692-Q694 PolarHBondContact O-N 2.78Å; Q692-Q695 WeakPolarHBondContact O-CA 3.12Å; Q692-Q695 WeakPolarHBondContact O-CB 3.35Å; Q692-Q695 PolarHBondContact O-N 3.19Å; Q692-G696 PolarHBondContact O-N 2.8Å
693	N	57.4	Low	62.2	Low	119 Å²	119	104.5 Å²	104.5	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-60.4	-42.6	174.4	-71	28.4	0	0	0	111.2	R689 Q695 G696 D697	R689-N693 PolarHBondContact O-N 3.23Å; R689-N693 PolarHBondContact O-OD1 2.86Å; N693-Q695 PolarHBondContact O-N 3.43Å; N693-G696 PolarHBondContact O-N 2.96Å; N693-D697 PolarHBondContact O-N 3.15Å
694	Q	51.8	Low	59.6	Low	130 Å²	130	106 Å²	106	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-68.3	-16.2	174.2	-76	170.7	82.8	0	0	114.4	S690 S691 Q692 I698	S690-Q694 PolarHBondContact O-N 2.9Å; S690-Q694 PolarHBondContact O-NE2 2.72Å; S691-Q694 PolarHBondContact O-N 3.18Å; Q692-Q694 VanDerWaalsContact C-N 3.32Å; Q692-Q694 PolarHBondContact O-N 2.78Å; Q694-I698 WeakPolarHBondContact O-CD1 3.28Å
695	Q	48.2	Very low	56.9	Low	142 Å²	142	110.7 Å²	110.7	66%	0.664	60%	0.597	S	S	*	*	H	α-helix	trans	-85.5	-26.4	169.8	-125.3	80.9	80	0	0	111.9	S691 Q692 N693	S691-Q695 PolarHBondContact O-N 3.12Å; Q692-Q695 WeakPolarHBondContact O-CA 3.12Å; Q692-Q695 WeakPolarHBondContact O-CB 3.35Å; Q692-Q695 PolarHBondContact O-N 3.19Å; N693-Q695 PolarHBondContact O-N 3.43Å
696	G	40.6	Very low	54.3	Low	40 Å²	40	116.9 Å²	116.9	41%	0.412	64%	0.636	S	S	.	*	H	α-helix	trans	-71.7	-48	178.7	0	0	0	0	0	113.2	Q692 N693 I698 A699	Q692-G696 PolarHBondContact O-N 2.8Å; N693-G696 PolarHBondContact O-N 2.96Å; G696-I698 PolarHBondContact O-N 3.02Å; G696-A699 WeakPolarHBondContact O-CB 3.2Å; G696-A699 PolarHBondContact O-N 3.45Å
697	D	38.8	Very low	51.6	Low	149 Å²	149	115.7 Å²	115.7	80%	0.797	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	6.3	179.5	-72.3	-35	0	0	0	114.8	N693	N693-D697 PolarHBondContact O-N 3.15Å
698	I	41.1	Very low	49.4	Very low	138 Å²	138	120.8 Å²	120.8	71%	0.708	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-5.5	177.2	-55.9	179.7	0	0	0	111.1	Q694 G696	Q694-I698 WeakPolarHBondContact O-CD1 3.28Å; G696-I698 PolarHBondContact O-N 3.02Å
699	A	39	Very low	47	Very low	82 Å²	82	127 Å²	127	68%	0.678	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-28.3	-179	0	0	0	0	0	114.5	G696	G696-A699 WeakPolarHBondContact O-CB 3.2Å; G696-A699 PolarHBondContact O-N 3.45Å
700	E	33.8	Very low	44.7	Very low	191 Å²	191	122.5 Å²	122.5	89%	0.893	70%	0.698	S	S	*	*	S	Bend	trans	-110.7	86.9	-177.7	-64.2	-167.5	166	0	0	111.1
701	G	32.9	Very low	42.8	Very low	64 Å²	64	127.8 Å²	127.8	66%	0.66	72%	0.721	S	S	*	*			trans	-154.5	1	-160.3	0	0	0	0	0	122.4
702	R	34	Very low	41	Very low	238 Å²	238	128 Å²	128	90%	0.898	73%	0.731	S	S	*	*			trans	157.3	116.7	153.5	-93.9	161.4	169.1	165.3	-2.3	114.9
703	H	38.5	Very low	39.8	Very low	184 Å²	184	127.6 Å²	127.6	85%	0.852	74%	0.741	S	S	*	*			trans	178.7	133.9	138	-91.1	-76	0	0	0	104.5
704	T	36.5	Very low	39	Very low	134 Å²	134	128.7 Å²	128.7	82%	0.822	75%	0.753	S	S	*	*			cis	-153.6	166.7	0.4	-6.2	0	0	0	0	109.8
705	S	35.5	Very low	38.6	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	76%	0.755	S	S	*	*			trans	-104.2	118.4	-175.2	54.8	0	0	0	0	114.6
706	T	36.7	Very low	38.6	Very low	153 Å²	153	125.9 Å²	125.9	94%	0.939	77%	0.767	S	S	*	*			trans	178.8	151.5	151.5	25.8	0	0	0	0	107.1
707	G	33.6	Very low	38.8	Very low	60 Å²	60	127.4 Å²	127.4	62%	0.619	78%	0.782	S	S	*	*			cis	155.5	161	0.9	0	0	0	0	0	109.1
708	Q	42.3	Very low	39	Very low	185 Å²	185	126.2 Å²	126.2	86%	0.864	79%	0.786	S	S	*	*			trans	72.1	161.7	-171.4	-49.8	174.8	-6.3	0	0	114.4
709	N	37	Very low	39.3	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	80%	0.795	S	S	*	*			cis	-171.8	161.4	-42.2	-93.4	-10.8	0	0	0	106.8
710	G	37.3	Very low	39.8	Very low	60 Å²	60	132.9 Å²	132.9	62%	0.619	80%	0.799	S	S	*	*			trans	99.2	126.1	-174.8	0	0	0	0	0	110.8
711	D	39.5	Very low	40.6	Very low	179 Å²	179	129 Å²	129	96%	0.957	79%	0.79	S	S	*	*				59.5	129.7	69.9	-70.9	-40.2	0	0	0	112.7
712	G	37.8	Very low	41.3	Very low	56 Å²	56	133.9 Å²	133.9	58%	0.577	80%	0.796	S	S	*	*			cis	156.5	166.9	2.8	0	0	0	0	0	110
713	S	43.9	Very low	41.6	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	79%	0.786	S	S	*	*			trans	69.1	111.3	-178.5	88.6	0	0	0	0	113.8
714	T	40.9	Very low	42.3	Very low	143 Å²	143	124.1 Å²	124.1	88%	0.877	78%	0.775	S	S	*	*				78.2	122.5	84.2	60.3	0	0	0	0	115.9
715	G	42.3	Very low	43.2	Very low	64 Å²	64	125.2 Å²	125.2	66%	0.66	78%	0.776	S	S	*	*			trans	157.7	89.5	171.6	0	0	0	0	0	109.8
716	T	49.1	Very low	43.6	Very low	149 Å²	149	131 Å²	131	91%	0.914	80%	0.799	S	S	*	*				52.1	116.1	85.3	69	0	0	0	0	113.2
717	G	43.6	Very low	43.9	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	79%	0.792	S	S	*	*			cis	175.5	-143.2	2.9	0	0	0	0	0	112.3
718	S	43.7	Very low	44.5	Very low	124 Å²	124	133.6 Å²	133.6	87%	0.867	80%	0.801	S	S	*	*			trans	67.6	83.2	169.3	-54.7	0	0	0	0	117.9
719	M	48.2	Very low	44.6	Very low	184 Å²	184	130.7 Å²	130.7	91%	0.906	80%	0.797	S	S	*	*			trans	-79.6	138.1	145.1	-74.7	-178.9	165.4	0	0	109.7
720	K	49.3	Very low	45.1	Very low	176 Å²	176	129.1 Å²	129.1	77%	0.765	79%	0.794	S	S	*	*			trans	64	169	170.6	-59.5	-174	175.5	-172.3	0	113.8
721	P	51.2	Low	45.6	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	81%	0.805	S	S	*	*			cis	-63	153.9	19.3	21.7	-31.6	0	0	0	115.3
722	E	45.9	Very low	46	Very low	167 Å²	167	130.4 Å²	130.4	78%	0.78	80%	0.795	S	S	*	*				68.3	145.4	63.3	-52.2	171.5	149.1	0	0	112.8
723	D	40.8	Very low	46.5	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	81%	0.811	S	S	*	*			trans	138.4	109.5	174.4	-48.4	-18.4	0	0	0	108.3
724	S	53.6	Low	46.7	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	81%	0.814	S	S	*	*	S	Bend		36.2	81.5	59.7	-43.1	0	0	0	0	114.6
725	N	54.3	Low	47.2	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	81%	0.809	S	S	*	*			trans	69	137.3	-178.3	-45	-39.2	0	0	0	112.7
726	N	44.8	Very low	47.7	Very low	229 Å²	229	143.9 Å²	143.9	100%	1.225	82%	0.822	S	S	*	*			cis	-157	0	27	172.6	93.7	0	0	0	111.4

Retrieved 726 of 726 residues in 158.6 ms (Link to these results)

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