A0A077ZJ58_TRITR Loading...

GcpE and DUF4115 and HTH 25 domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZJ58, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 699 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	46.2	Very low	227 Å²	227	138.7 Å²	138.7	100%	1.118	73%	0.728	S	S	*	*				0	149.3	0	-72.2	175.4	173.7	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.42Å
2	N	39.6	Very low	48	Very low	167 Å²	167	135 Å²	135	89%	0.893	73%	0.732	S	S	*	*			trans	-71.9	124.5	-156.2	-52.1	1.7	0	0	0	112.3
3	T	51.5	Low	50.2	Low	112 Å²	112	129 Å²	129	69%	0.687	70%	0.699	S	S	*	*			trans	-120.5	-9.4	-179.3	44.6	0	0	0	0	114.4	M1	M1-T3 PolarHBondContact O-N 3.42Å
4	E	45	Very low	52.8	Low	174 Å²	174	124.9 Å²	124.9	81%	0.813	68%	0.68	S	S	*	*	S	Bend	trans	-86.1	-22.5	-172.6	-65.1	170.1	157.5	0	0	113.1	T6	E4-T6 VanDerWaalsContact C-N 3.29Å; E4-T6 PolarHBondContact O-N 3.19Å
5	A	43.1	Very low	55.2	Low	77 Å²	77	116.8 Å²	116.8	64%	0.636	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-2.5	-172.6	0	0	0	0	0	115.7
6	T	45	Very low	57.5	Low	96 Å²	96	109.5 Å²	109.5	59%	0.589	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-11.1	-177	46.8	0	0	0	0	114.4	E4	E4-T6 VanDerWaalsContact C-N 3.29Å; E4-T6 PolarHBondContact O-N 3.19Å
7	H	46	Very low	59.5	Low	151 Å²	151	104.3 Å²	104.3	70%	0.699	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-48.9	-179.5	-115.9	50.6	0	0	0	112.2	Q9 N10	H7-Q9 PolarHBondContact O-N 3.01Å; H7-N10 PolarHBondContact O-N 3.15Å; H7-N10 VanDerWaalsContact O-N 3.08Å
8	D	44.9	Very low	61.2	Low	135 Å²	135	100.8 Å²	100.8	72%	0.722	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.8	-177.1	-69.7	-3.5	0	0	0	114.2
9	Q	47.6	Very low	62.9	Low	150 Å²	150	95.5 Å²	95.5	70%	0.701	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.3	-178.4	-64.8	-167.4	-2	0	0	113.8	H7	H7-Q9 PolarHBondContact O-N 3.01Å
10	N	52.8	Low	64.5	Low	69 Å²	69	95.2 Å²	95.2	37%	0.369	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-25	-177.6	-87.5	-17.7	0	0	0	113.6	H7 A12 L13 R18	H7-N10 PolarHBondContact O-N 3.15Å; H7-N10 VanDerWaalsContact O-N 3.08Å; N10-A12 PolarHBondContact O-N 3.23Å; N10-L13 PolarHBondContact O-N 3.05Å; N10-R18 PolarHBondContact O-NE 2.93Å; N10-R18 PolarHBondContact O-NH2 3.22Å
11	E	53.9	Low	65.9	Low	168 Å²	168	93.2 Å²	93.2	79%	0.785	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.1	-177.8	-69.4	-146.8	123.7	0	0	113.3	L13	E11-L13 PolarHBondContact O-N 2.72Å
12	A	67.5	Low	68.5	Low	94 Å²	94	82.9 Å²	82.9	78%	0.777	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.2	-179.5	0	0	0	0	0	115.1	N10	N10-A12 PolarHBondContact O-N 3.23Å
13	L	76.5	Confident	71.2	Confident	57 Å²	57	75.7 Å²	75.7	30%	0.298	41%	0.411	S	S	.	.			trans	-89.5	139.1	-172.4	-65.5	175.1	0	0	0	113.3	N10 E11 A17 R18 N21	N10-L13 PolarHBondContact O-N 3.05Å; E11-L13 PolarHBondContact O-N 2.72Å; L13-A17 HydrophobicContact CB-CB 4.3Å; L13-A17 HydrophobicContact CD2-CB 4.2Å; L13-R18 HydrophobicContact CB-CG 3.78Å; L13-R18 PolarHBondContact O-NE 2.84Å; L13-N21 VanDerWaalsContact CD1-ND2 3.35Å; L13-N21 WeakPolarHBondContact CD1-ND2 3.3Å
14	T	87.5	Confident	73.3	Confident	71 Å²	71	75.3 Å²	75.3	44%	0.436	40%	0.402	S	S	.	.			trans	-68.2	166.4	174.7	64.3	0	0	0	0	112.5	G16 A17 R18 D50	T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.45Å; T14-A17 PolarHBondContact O-N 3.3Å; T14-A17 VanDerWaalsContact OG1-CB 3.27Å; T14-A17 WeakPolarHBondContact OG1-CB 3.26Å; T14-A17 PolarHBondContact OG1-N 2.67Å; T14-R18 WeakPolarHBondContact O-CG 3.49Å; T14-R18 PolarHBondContact O-N 2.93Å; T14-D50 WeakPolarHBondContact CB-OD1 3.46Å; T14-D50 WeakPolarHBondContact CB-OD2 3.36Å; T14-D50 PolarHBondContact OG1-OD2 3.3Å
15	T	89.1	Confident	75.6	Confident	4 Å²	4	74.8 Å²	74.8	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-59.2	-45.1	177.4	-65	0	0	0	0	111.4	L19 D50 I65 L79 G82 L83 Q86	T15-L19 HydrophobicContact CG2-CD1 4.17Å; T15-L19 WeakPolarHBondContact O-CG 3.47Å; T15-L19 PolarHBondContact O-N 3.31Å; T15-L19 VanDerWaalsContact O-N 3.15Å; T15-D50 PolarHBondContact N-OD1 2.89Å; T15-I65 HydrophobicContact CG2-CG2 3.83Å; T15-L79 HydrophobicContact CG2-CD2 4.42Å; T15-G82 VanDerWaalsContact OG1-C 3.27Å; T15-G82 VanDerWaalsContact OG1-CA 3.29Å; T15-G82 WeakPolarHBondContact OG1-CA 3.43Å; T15-L83 PolarHBondContact OG1-N 2.96Å; T15-Q86 VanDerWaalsContact CG2-OE1 3.32Å
16	G	91.6	Very high	78	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.1	-42.5	174.8	0	0	0	0	0	113.3	T14 R20 I47 E48 D50	T14-G16 VanDerWaalsContact C-N 3.34Å; T14-G16 PolarHBondContact O-N 3.45Å; G16-R20 VanDerWaalsContact O-CB 3.3Å; G16-R20 WeakPolarHBondContact O-CB 3.48Å; G16-R20 PolarHBondContact O-N 3.46Å; G16-I47 WeakPolarHBondContact CA-O 3.44Å; G16-E48 CarbonylContact C-O 3.57Å; G16-D50 PolarHBondContact N-OD1 3.49Å; G16-D50 PolarHBondContact N-OD2 3.07Å
17	A	90.6	Very high	80.3	Confident	21 Å²	21	73.7 Å²	73.7	17%	0.174	40%	0.395	C	S	.	.	H	α-helix	trans	-68.7	-39.3	178.6	0	0	0	0	0	113.2	L13 T14 R20 N21	L13-A17 HydrophobicContact CB-CB 4.3Å; L13-A17 HydrophobicContact CD2-CB 4.2Å; T14-A17 PolarHBondContact O-N 3.3Å; T14-A17 VanDerWaalsContact OG1-CB 3.27Å; T14-A17 WeakPolarHBondContact OG1-CB 3.26Å; T14-A17 PolarHBondContact OG1-N 2.67Å; A17-R20 PolarHBondContact O-N 3.34Å; A17-N21 WeakPolarHBondContact O-CB 3.35Å; A17-N21 VanDerWaalsContact O-CG 3.25Å; A17-N21 PolarHBondContact O-N 3.17Å; A17-N21 PolarHBondContact O-OD1 3.11Å
18	R	91.1	Very high	82.5	Confident	41 Å²	41	67.6 Å²	67.6	16%	0.155	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-48.3	174.5	-73.5	-177.2	179.9	-142.6	5.2	111.6	N10 L13 T14 R20 N21 A22 I74 E78 L79	N10-R18 PolarHBondContact O-NE 2.93Å; N10-R18 PolarHBondContact O-NH2 3.22Å; L13-R18 HydrophobicContact CB-CG 3.78Å; L13-R18 PolarHBondContact O-NE 2.84Å; T14-R18 WeakPolarHBondContact O-CG 3.49Å; T14-R18 PolarHBondContact O-N 2.93Å; R18-R20 PolarHBondContact O-N 2.96Å; R18-N21 PolarHBondContact O-N 2.76Å; R18-A22 PolarHBondContact O-N 3.43Å; R18-I74 HydrophobicContact CB-CD1 4.23Å; R18-E78 IonicContact NH1-OE2 2.81Å; R18-E78 PolarHBondContact NH1-OE2 2.87Å; R18-L79 HydrophobicContact CB-CD2 4.09Å
19	L	93.7	Very high	85	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-43.6	176.9	-71.2	168.2	0	0	0	111.9	T15 A22 R23 I47 I65 Y68 A69 V72 I74 L79	T15-L19 HydrophobicContact CG2-CD1 4.17Å; T15-L19 WeakPolarHBondContact O-CG 3.47Å; T15-L19 PolarHBondContact O-N 3.31Å; T15-L19 VanDerWaalsContact O-N 3.15Å; L19-A22 PolarHBondContact O-N 2.86Å; L19-R23 VanDerWaalsContact O-CB 3.32Å; L19-R23 WeakPolarHBondContact O-CB 3.25Å; L19-R23 PolarHBondContact O-N 3.47Å; L19-I47 HydrophobicContact CD1-CG2 3.56Å; L19-I65 HydrophobicContact CD1-CG2 4.22Å; L19-Y68 HydrophobicContact CB-CD1 4.31Å; L19-Y68 HydrophobicContact CB-CE1 4.07Å; L19-Y68 HydrophobicContact CD1-CD1 3.93Å; L19-Y68 HydrophobicContact CD1-CE1 4.41Å; L19-Y68 HydrophobicContact CD1-CG 4.36Å; L19-Y68 HydrophobicContact CD2-CD1 4.28Å; L19-Y68 HydrophobicContact CD2-CD2 4.22Å; L19-Y68 HydrophobicContact CD2-CG 3.96Å; L19-Y68 HydrophobicContact CG-CD1 4.42Å; L19-A69 HydrophobicContact CD2-CB 4.26Å; L19-V72 HydrophobicContact CD2-CG2 3.89Å; L19-I74 HydrophobicContact CD2-CD1 4.37Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L19-L79 HydrophobicContact CG-CD1 4.48Å
20	R	94.7	Very high	87.3	Confident	89 Å²	89	59.8 Å²	59.8	34%	0.336	33%	0.333	S	S	.	.	H	α-helix	trans	-57.7	-51.1	174.8	-175.3	-171.2	-56.5	-145.9	1.8	111.8	G16 A17 R18 A22 R23 E24 E48	G16-R20 VanDerWaalsContact O-CB 3.3Å; G16-R20 WeakPolarHBondContact O-CB 3.48Å; G16-R20 PolarHBondContact O-N 3.46Å; A17-R20 PolarHBondContact O-N 3.34Å; R18-R20 PolarHBondContact O-N 2.96Å; R20-A22 PolarHBondContact O-N 3.34Å; R20-R23 WeakPolarHBondContact O-CB 3.16Å; R20-R23 PolarHBondContact O-N 2.88Å; R20-E24 WeakPolarHBondContact CG-OE1 3.38Å; R20-E24 WeakPolarHBondContact O-CB 3.49Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.83Å; R20-E48 HydrophobicContact CB-CB 4.49Å; R20-E48 HydrophobicContact CB-CG 4.1Å; R20-E48 PolarHBondContact NH2-O 3.39Å
21	N	93.9	Very high	89.3	Confident	55 Å²	55	61 Å²	61	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-43.3	-178.4	-72.5	4.3	0	0	0	111.7	L13 A17 R18 E24 Q25	L13-N21 VanDerWaalsContact CD1-ND2 3.35Å; L13-N21 WeakPolarHBondContact CD1-ND2 3.3Å; A17-N21 WeakPolarHBondContact O-CB 3.35Å; A17-N21 VanDerWaalsContact O-CG 3.25Å; A17-N21 PolarHBondContact O-N 3.17Å; A17-N21 PolarHBondContact O-OD1 3.11Å; R18-N21 PolarHBondContact O-N 2.76Å; N21-E24 PolarHBondContact O-N 2.7Å; N21-Q25 WeakPolarHBondContact O-CB 3.42Å; N21-Q25 VanDerWaalsContact O-CG 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.24Å; N21-Q25 PolarHBondContact O-N 2.61Å
22	A	93.8	Very high	91.3	Very high	9 Å²	9	54.1 Å²	54.1	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-70.3	-35.6	177.1	0	0	0	0	0	112.7	R18 L19 R20 E24 Q25 L26 V72 I74	R18-A22 PolarHBondContact O-N 3.43Å; L19-A22 PolarHBondContact O-N 2.86Å; R20-A22 PolarHBondContact O-N 3.34Å; A22-E24 VanDerWaalsContact C-N 3.28Å; A22-E24 PolarHBondContact O-N 2.85Å; A22-Q25 PolarHBondContact O-N 2.9Å; A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.33Å; A22-L26 VanDerWaalsContact O-N 3.1Å; A22-V72 HydrophobicContact CB-CB 3.78Å; A22-V72 HydrophobicContact CB-CG2 3.76Å; A22-I74 HydrophobicContact CB-CD1 3.66Å; A22-I74 HydrophobicContact CB-CG1 3.93Å
23	R	96.2	Very high	92.6	Very high	17 Å²	17	49.6 Å²	49.6	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-44.3	169.6	-177	-170.9	44.2	64	5.2	110.8	L19 R20 L26 G27 L28 V33 E48 Y68 V72	L19-R23 VanDerWaalsContact O-CB 3.32Å; L19-R23 WeakPolarHBondContact O-CB 3.25Å; L19-R23 PolarHBondContact O-N 3.47Å; R20-R23 WeakPolarHBondContact O-CB 3.16Å; R20-R23 PolarHBondContact O-N 2.88Å; R23-L26 PolarHBondContact O-N 2.68Å; R23-G27 PolarHBondContact O-N 2.83Å; R23-L28 WeakPolarHBondContact CD-O 3.19Å; R23-L28 HydrophobicContact CG-CB 3.64Å; R23-L28 VanDerWaalsContact CG-O 3.26Å; R23-L28 WeakPolarHBondContact CG-O 3.48Å; R23-L28 PolarHBondContact NH1-O 2.87Å; R23-L28 PolarHBondContact O-N 3.15Å; R23-V33 HydrophobicContact CG-CG2 3.82Å; R23-E48 IonicContact CZ-OE1 2.7Å; R23-E48 IonicContact CZ-OE2 3.14Å; R23-E48 IonicContact NE-OE1 2.64Å; R23-E48 PolarHBondContact NE-OE1 2.89Å; R23-E48 IonicContact NE-OE2 2.73Å; R23-E48 PolarHBondContact NE-OE2 3.5Å; R23-E48 IonicContact NH2-OE1 2.77Å; R23-E48 IonicContact NH2-OE2 2.84Å; R23-E48 PolarHBondContact NH2-OE2 2.86Å; R23-Y68 HydrophobicContact CB-CE2 4.33Å; R23-Y68 WeakPolarHBondContact CB-OH 3.35Å; R23-Y68 WeakPolarHBondContact CD-OH 3.42Å; R23-Y68 PolarHBondContact NE-OH 3.09Å; R23-V72 HydrophobicContact CB-CG1 4.21Å
24	E	95.1	Very high	93.5	Very high	104 Å²	104	47 Å²	47	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-74.9	-37	-176.4	-71	171.8	-170.8	0	0	112.4	R20 N21 A22 L26 G27	R20-E24 WeakPolarHBondContact CG-OE1 3.38Å; R20-E24 WeakPolarHBondContact O-CB 3.49Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.83Å; N21-E24 PolarHBondContact O-N 2.7Å; A22-E24 VanDerWaalsContact C-N 3.28Å; A22-E24 PolarHBondContact O-N 2.85Å; E24-L26 PolarHBondContact O-N 3.35Å; E24-G27 PolarHBondContact O-N 3.21Å
25	Q	93	Very high	93.8	Very high	162 Å²	162	49.4 Å²	49.4	76%	0.757	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-32.2	169.8	-73.4	170.4	7.7	0	0	112.8	N21 A22 G27	N21-Q25 WeakPolarHBondContact O-CB 3.42Å; N21-Q25 VanDerWaalsContact O-CG 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.24Å; N21-Q25 PolarHBondContact O-N 2.61Å; A22-Q25 PolarHBondContact O-N 2.9Å; Q25-G27 VanDerWaalsContact C-N 3.31Å
26	L	93.1	Very high	94.1	Very high	82 Å²	82	56.7 Å²	56.7	43%	0.429	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.8	174.6	-66.3	169.6	0	0	0	113.7	A22 R23 E24 L28 V72	A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.33Å; A22-L26 VanDerWaalsContact O-N 3.1Å; R23-L26 PolarHBondContact O-N 2.68Å; E24-L26 PolarHBondContact O-N 3.35Å; L26-L28 HydrophobicContact CB-CD1 4.12Å; L26-L28 HydrophobicContact CB-CG 4.07Å; L26-L28 HydrophobicContact CD1-CD1 4.49Å; L26-L28 PolarHBondContact O-N 2.94Å; L26-V72 HydrophobicContact CD1-CB 3.91Å; L26-V72 HydrophobicContact CD1-CG1 4.18Å
27	G	93.2	Very high	94.2	Very high	69 Å²	69	58.4 Å²	58.4	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	19	179.8	0	0	0	0	0	114.7	R23 E24 Q25	R23-G27 PolarHBondContact O-N 2.83Å; E24-G27 PolarHBondContact O-N 3.21Å; Q25-G27 VanDerWaalsContact C-N 3.31Å
28	L	93.7	Very high	94.3	Very high	23 Å²	23	63.3 Å²	63.3	12%	0.12	33%	0.332	C	S	.	.			trans	-87.3	138.4	-175.5	-65	175.6	0	0	0	111.7	R23 L26 A32 V33	R23-L28 WeakPolarHBondContact CD-O 3.19Å; R23-L28 HydrophobicContact CG-CB 3.64Å; R23-L28 VanDerWaalsContact CG-O 3.26Å; R23-L28 WeakPolarHBondContact CG-O 3.48Å; R23-L28 PolarHBondContact NH1-O 2.87Å; R23-L28 PolarHBondContact O-N 3.15Å; L26-L28 HydrophobicContact CB-CD1 4.12Å; L26-L28 HydrophobicContact CB-CG 4.07Å; L26-L28 HydrophobicContact CD1-CD1 4.49Å; L26-L28 PolarHBondContact O-N 2.94Å; L28-A32 HydrophobicContact CD2-CB 4.48Å; L28-V33 HydrophobicContact CB-CG2 4.29Å; L28-V33 HydrophobicContact CD1-CG2 4.36Å
29	S	95.8	Very high	94.3	Very high	63 Å²	63	62.6 Å²	62.6	44%	0.441	33%	0.331	S	S	.	.			trans	-83	157.1	168.9	67.2	0	0	0	0	111.2	Q31 A32 V33	S29-Q31 PolarHBondContact O-N 3.37Å; S29-A32 PolarHBondContact O-N 3.12Å; S29-A32 VanDerWaalsContact O-N 3.12Å; S29-A32 WeakPolarHBondContact OG-CB 3.17Å; S29-A32 PolarHBondContact OG-N 3.11Å; S29-A32 VanDerWaalsContact OG-N 3.08Å; S29-V33 PolarHBondContact O-N 2.93Å; S29-V33 VanDerWaalsContact O-N 3.08Å
30	Q	96.7	Very high	94.3	Very high	57 Å²	57	69.1 Å²	69.1	27%	0.266	36%	0.36	S	S	.	.	H	α-helix	trans	-57.9	-32.1	172	-71.2	-178.3	-15.3	0	0	111.8	A34 V41 V44 E48	Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.41Å; Q30-A34 PolarHBondContact O-N 2.86Å; Q30-V41 HydrophobicContact CB-CG1 4.23Å; Q30-V44 HydrophobicContact CB-CG1 4.19Å; Q30-V44 HydrophobicContact CG-CG1 4.23Å; Q30-E48 PolarHBondContact NE2-OE2 2.88Å
31	Q	95.6	Very high	94.3	Very high	95 Å²	95	67.5 Å²	67.5	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-50.7	172.3	-177	68.6	26.8	0	0	111.7	S29 V33 A34 E35	S29-Q31 PolarHBondContact O-N 3.37Å; Q31-V33 VanDerWaalsContact C-N 3.28Å; Q31-V33 PolarHBondContact O-N 3.09Å; Q31-A34 WeakPolarHBondContact O-CB 3.31Å; Q31-A34 PolarHBondContact O-N 3.41Å; Q31-A34 VanDerWaalsContact O-N 3.13Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.46Å; Q31-E35 PolarHBondContact NE2-OE1 2.9Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.29Å
32	A	94.4	Very high	94.3	Very high	23 Å²	23	67.1 Å²	67.1	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-32.1	-179.7	0	0	0	0	0	112.6	L28 S29 R36	L28-A32 HydrophobicContact CD2-CB 4.48Å; S29-A32 PolarHBondContact O-N 3.12Å; S29-A32 VanDerWaalsContact O-N 3.12Å; S29-A32 WeakPolarHBondContact OG-CB 3.17Å; S29-A32 PolarHBondContact OG-N 3.11Å; S29-A32 VanDerWaalsContact OG-N 3.08Å; A32-R36 WeakPolarHBondContact O-CB 3.38Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 2.88Å; A32-R36 VanDerWaalsContact O-N 3.11Å
33	V	96	Very high	94.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-45.3	171	169.3	0	0	0	0	111.3	R23 L28 S29 Q31 E35 R36 L37 V44 Y68 L71	R23-V33 HydrophobicContact CG-CG2 3.82Å; L28-V33 HydrophobicContact CB-CG2 4.29Å; L28-V33 HydrophobicContact CD1-CG2 4.36Å; S29-V33 PolarHBondContact O-N 2.93Å; S29-V33 VanDerWaalsContact O-N 3.08Å; Q31-V33 VanDerWaalsContact C-N 3.28Å; Q31-V33 PolarHBondContact O-N 3.09Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.95Å; V33-R36 PolarHBondContact O-N 2.97Å; V33-L37 HydrophobicContact CG1-CD1 3.64Å; V33-L37 HydrophobicContact CG1-CG 4.29Å; V33-L37 WeakPolarHBondContact O-CB 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.47Å; V33-V44 HydrophobicContact CB-CG1 4.14Å; V33-V44 HydrophobicContact CG1-CG1 3.73Å; V33-V44 HydrophobicContact CG1-CG2 3.93Å; V33-Y68 HydrophobicContact CB-CE2 4.32Å; V33-Y68 HydrophobicContact CG1-CD1 4.33Å; V33-Y68 HydrophobicContact CG1-CD2 3.79Å; V33-Y68 HydrophobicContact CG1-CE1 4.09Å; V33-Y68 HydrophobicContact CG1-CE2 3.54Å; V33-Y68 HydrophobicContact CG1-CG 4.21Å; V33-Y68 HydrophobicContact CG2-CE2 3.81Å; V33-L71 HydrophobicContact CB-CD2 4.43Å; V33-L71 HydrophobicContact CG1-CD2 4.2Å; V33-L71 HydrophobicContact CG2-CD2 4.19Å
34	A	95.6	Very high	94.1	Very high	3 Å²	3	66.7 Å²	66.7	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-58.4	-45.4	178.3	0	0	0	0	0	111.6	Q30 Q31 L37 C38 L39 V41 V44	Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.41Å; Q30-A34 PolarHBondContact O-N 2.86Å; Q31-A34 WeakPolarHBondContact O-CB 3.31Å; Q31-A34 PolarHBondContact O-N 3.41Å; Q31-A34 VanDerWaalsContact O-N 3.13Å; A34-L37 PolarHBondContact O-N 3.28Å; A34-C38 WeakPolarHBondContact O-CA 3.29Å; A34-C38 PolarHBondContact O-N 3.23Å; A34-L39 WeakPolarHBondContact CB-O 3.39Å; A34-L39 PolarHBondContact O-N 3.39Å; A34-V41 HydrophobicContact CB-CB 4.42Å; A34-V41 HydrophobicContact CB-CG2 3.89Å; A34-V44 HydrophobicContact CB-CG2 3.85Å
35	E	93.1	Very high	94.1	Very high	120 Å²	120	66.8 Å²	66.8	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-62.5	-50.5	175.9	-71.5	166.6	-178.5	0	0	112.2	Q31 V33 L37 C38	Q31-E35 WeakPolarHBondContact CG-OE1 3.46Å; Q31-E35 PolarHBondContact NE2-OE1 2.9Å; Q31-E35 WeakPolarHBondContact O-CG 3.4Å; Q31-E35 PolarHBondContact O-N 3.29Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.95Å; E35-L37 VanDerWaalsContact C-N 3.25Å; E35-L37 PolarHBondContact O-N 2.87Å; E35-C38 PolarHBondContact O-N 3.45Å
36	R	94.5	Very high	94	Very high	158 Å²	158	60.3 Å²	60.3	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-25.8	-179.9	-73.5	-179.9	-172.9	-170.1	3.1	114.1	A32 V33 L71	A32-R36 WeakPolarHBondContact O-CB 3.38Å; A32-R36 WeakPolarHBondContact O-CG 3.39Å; A32-R36 PolarHBondContact O-N 2.88Å; A32-R36 VanDerWaalsContact O-N 3.11Å; V33-R36 PolarHBondContact O-N 2.97Å; R36-L71 HydrophobicContact CB-CD1 4.38Å; R36-L71 HydrophobicContact CB-CD2 3.88Å
37	L	93.8	Very high	93.9	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.183	31%	0.306	C	S	.	.	H	α-helix	trans	-100.6	-1.7	179.3	-60.4	-179.5	0	0	0	113.7	V33 A34 E35 L39 S67 Y68 L71	V33-L37 HydrophobicContact CG1-CD1 3.64Å; V33-L37 HydrophobicContact CG1-CG 4.29Å; V33-L37 WeakPolarHBondContact O-CB 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.47Å; A34-L37 PolarHBondContact O-N 3.28Å; E35-L37 VanDerWaalsContact C-N 3.25Å; E35-L37 PolarHBondContact O-N 2.87Å; L37-L39 HydrophobicContact CB-CB 4.47Å; L37-L39 HydrophobicContact CB-CD1 3.85Å; L37-L39 HydrophobicContact CB-CG 3.76Å; L37-L39 HydrophobicContact CD1-CD1 3.99Å; L37-L39 PolarHBondContact O-N 3.27Å; L37-S67 WeakPolarHBondContact CD2-O 3.27Å; L37-Y68 HydrophobicContact CD1-CD2 4.3Å; L37-Y68 HydrophobicContact CD1-CG 4.01Å; L37-L71 HydrophobicContact CD1-CD2 4.19Å; L37-L71 HydrophobicContact CD2-CB 4.22Å; L37-L71 HydrophobicContact CD2-CD2 3.83Å; L37-L71 HydrophobicContact CG-CD2 3.78Å
38	C	93.2	Very high	94	Very high	124 Å²	124	53.2 Å²	53.2	84%	0.838	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	38.3	-171.3	-62.1	0	0	0	0	113.4	A34 E35	A34-C38 WeakPolarHBondContact O-CA 3.29Å; A34-C38 PolarHBondContact O-N 3.23Å; E35-C38 PolarHBondContact O-N 3.45Å
39	L	92.4	Very high	93.9	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.136	28%	0.283	C	S	.	.			trans	-105.8	163.6	179.1	-61.7	-179.2	0	0	0	111.5	A34 L37 T43 V44 Y64	A34-L39 WeakPolarHBondContact CB-O 3.39Å; A34-L39 PolarHBondContact O-N 3.39Å; L37-L39 HydrophobicContact CB-CB 4.47Å; L37-L39 HydrophobicContact CB-CD1 3.85Å; L37-L39 HydrophobicContact CB-CG 3.76Å; L37-L39 HydrophobicContact CD1-CD1 3.99Å; L37-L39 PolarHBondContact O-N 3.27Å; L39-T43 HydrophobicContact CD1-CG2 4.49Å; L39-V44 HydrophobicContact CB-CG2 4.29Å; L39-V44 HydrophobicContact CD1-CG2 4.44Å; L39-Y64 HydrophobicContact CD1-CD2 4.41Å; L39-Y64 HydrophobicContact CD1-CG 4.16Å; L39-Y64 HydrophobicContact CD2-CD1 3.74Å; L39-Y64 HydrophobicContact CD2-CD2 3.82Å; L39-Y64 HydrophobicContact CD2-CE1 3.69Å; L39-Y64 HydrophobicContact CD2-CE2 3.76Å; L39-Y64 HydrophobicContact CD2-CG 3.81Å
40	K	92.6	Very high	93.6	Very high	138 Å²	138	55.4 Å²	55.4	60%	0.6	28%	0.276	S	S	*	.			trans	-72.5	143.9	164.8	-61.9	174.4	-177.3	170.8	0	109	S42 T43 V44	K40-S42 WeakPolarHBondContact CB-OG 3.26Å; K40-S42 PolarHBondContact O-N 3.4Å; K40-T43 WeakPolarHBondContact O-CA 3.17Å; K40-T43 WeakPolarHBondContact O-CB 3.27Å; K40-T43 PolarHBondContact O-N 2.85Å; K40-V44 PolarHBondContact O-N 3.36Å
41	V	94.5	Very high	93.1	Very high	55 Å²	55	58 Å²	58	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-56.3	-35.1	173.1	-169.8	0	0	0	0	111.4	Q30 A34 T43 V44 R45	Q30-V41 HydrophobicContact CB-CG1 4.23Å; A34-V41 HydrophobicContact CB-CB 4.42Å; A34-V41 HydrophobicContact CB-CG2 3.89Å; V41-T43 PolarHBondContact O-N 2.85Å; V41-V44 PolarHBondContact O-N 2.9Å; V41-R45 PolarHBondContact O-N 2.87Å
42	S	93.9	Very high	92.2	Very high	46 Å²	46	56.3 Å²	56.3	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-47.8	171.9	60.8	0	0	0	0	111.7	K40 V44 R45 D46	K40-S42 WeakPolarHBondContact CB-OG 3.26Å; K40-S42 PolarHBondContact O-N 3.4Å; S42-V44 VanDerWaalsContact C-N 3.31Å; S42-V44 PolarHBondContact O-N 2.91Å; S42-R45 PolarHBondContact O-N 2.91Å; S42-D46 WeakPolarHBondContact O-CB 3.35Å; S42-D46 PolarHBondContact O-N 3.49Å; S42-D46 VanDerWaalsContact O-OD2 3.09Å
43	T	92.3	Very high	91.3	Very high	18 Å²	18	56.2 Å²	56.2	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-37.7	178.8	-48.9	0	0	0	0	112.2	L39 K40 V41 I47 Y64	L39-T43 HydrophobicContact CD1-CG2 4.49Å; K40-T43 WeakPolarHBondContact O-CA 3.17Å; K40-T43 WeakPolarHBondContact O-CB 3.27Å; K40-T43 PolarHBondContact O-N 2.85Å; V41-T43 PolarHBondContact O-N 2.85Å; T43-I47 HydrophobicContact CG2-CD1 4.22Å; T43-I47 WeakPolarHBondContact O-CB 3.36Å; T43-I47 WeakPolarHBondContact O-CD1 3.24Å; T43-I47 VanDerWaalsContact O-CG1 3.24Å; T43-I47 WeakPolarHBondContact O-CG1 3.46Å; T43-I47 PolarHBondContact O-N 3Å; T43-Y64 HydrophobicContact CG2-CD2 3.86Å; T43-Y64 HydrophobicContact CG2-CE2 4.17Å
44	V	93.8	Very high	90	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-47.8	175.3	178.1	0	0	0	0	110.9	Q30 V33 A34 L39 K40 V41 S42 I47 E48 Y68	Q30-V44 HydrophobicContact CB-CG1 4.19Å; Q30-V44 HydrophobicContact CG-CG1 4.23Å; V33-V44 HydrophobicContact CB-CG1 4.14Å; V33-V44 HydrophobicContact CG1-CG1 3.73Å; V33-V44 HydrophobicContact CG1-CG2 3.93Å; A34-V44 HydrophobicContact CB-CG2 3.85Å; L39-V44 HydrophobicContact CB-CG2 4.29Å; L39-V44 HydrophobicContact CD1-CG2 4.44Å; K40-V44 PolarHBondContact O-N 3.36Å; V41-V44 PolarHBondContact O-N 2.9Å; S42-V44 VanDerWaalsContact C-N 3.31Å; S42-V44 PolarHBondContact O-N 2.91Å; V44-I47 PolarHBondContact O-N 3.07Å; V44-E48 PolarHBondContact O-N 2.79Å; V44-Y68 HydrophobicContact CG1-CE1 3.92Å
45	R	94.2	Very high	88.9	Confident	105 Å²	105	68.2 Å²	68.2	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-44.2	175.7	-177.3	-160	63.5	-159.3	-6.2	111.9	V41 S42 I47 E48 E49	V41-R45 PolarHBondContact O-N 2.87Å; S42-R45 PolarHBondContact O-N 2.91Å; R45-I47 VanDerWaalsContact C-N 3.29Å; R45-I47 PolarHBondContact O-N 3.38Å; R45-E48 CarbonylContact O-C 3.48Å; R45-E48 PolarHBondContact O-N 3.31Å; R45-E48 VanDerWaalsContact O-N 3.1Å; R45-E49 WeakPolarHBondContact CD-OE1 3.37Å; R45-E49 HydrophobicContact CG-CG 4.33Å; R45-E49 VanDerWaalsContact CG-OE1 3.23Å; R45-E49 WeakPolarHBondContact CG-OE1 3.2Å; R45-E49 IonicContact NE-OE1 3.37Å; R45-E49 WeakPolarHBondContact O-CB 3.26Å; R45-E49 WeakPolarHBondContact O-CG 3.43Å; R45-E49 PolarHBondContact O-N 2.86Å
46	D	92	Very high	88.3	Confident	26 Å²	26	64.2 Å²	64.2	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-36.4	-179.2	-58.3	-21.9	0	0	0	110.2	S42 E49 D50 K51 P53	S42-D46 WeakPolarHBondContact O-CB 3.35Å; S42-D46 PolarHBondContact O-N 3.49Å; S42-D46 VanDerWaalsContact O-OD2 3.09Å; D46-E49 PolarHBondContact O-N 2.85Å; D46-D50 PolarHBondContact O-N 3.42Å; D46-K51 HydrophobicContact CB-CB 4.22Å; D46-K51 WeakPolarHBondContact O-CA 3.42Å; D46-K51 WeakPolarHBondContact O-CB 3.43Å; D46-K51 PolarHBondContact O-N 2.72Å; D46-P53 HydrophobicContact CB-CG 4.4Å
47	I	91.8	Very high	87.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-46.8	169.1	-72.4	164.8	0	0	0	111.6	G16 L19 T43 V44 R45 E49 D50 L61 I65 Y68 Q86	G16-I47 WeakPolarHBondContact CA-O 3.44Å; L19-I47 HydrophobicContact CD1-CG2 3.56Å; T43-I47 HydrophobicContact CG2-CD1 4.22Å; T43-I47 WeakPolarHBondContact O-CB 3.36Å; T43-I47 WeakPolarHBondContact O-CD1 3.24Å; T43-I47 VanDerWaalsContact O-CG1 3.24Å; T43-I47 WeakPolarHBondContact O-CG1 3.46Å; T43-I47 PolarHBondContact O-N 3Å; V44-I47 PolarHBondContact O-N 3.07Å; R45-I47 VanDerWaalsContact C-N 3.29Å; R45-I47 PolarHBondContact O-N 3.38Å; I47-E49 PolarHBondContact O-N 3.17Å; I47-D50 PolarHBondContact O-N 2.87Å; I47-L61 HydrophobicContact CD1-CD1 4.25Å; I47-L61 HydrophobicContact CG1-CD1 3.79Å; I47-I65 HydrophobicContact CD1-CG1 4.29Å; I47-I65 HydrophobicContact CG1-CG1 4.18Å; I47-I65 HydrophobicContact CG2-CG1 3.9Å; I47-Y68 HydrophobicContact CG2-CD1 4.02Å; I47-Y68 HydrophobicContact CG2-CE1 4.4Å; I47-Q86 PolarHBondContact O-NE2 2.85Å; I47-Q86 VanDerWaalsContact O-NE2 3.1Å
48	E	93.9	Very high	87	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-16.3	178.1	-76.2	177.6	-146	0	0	114.4	G16 R20 R23 Q30 V44 R45 Y68	G16-E48 CarbonylContact C-O 3.57Å; R20-E48 HydrophobicContact CB-CB 4.49Å; R20-E48 HydrophobicContact CB-CG 4.1Å; R20-E48 PolarHBondContact NH2-O 3.39Å; R23-E48 IonicContact CZ-OE1 2.7Å; R23-E48 IonicContact CZ-OE2 3.14Å; R23-E48 IonicContact NE-OE1 2.64Å; R23-E48 PolarHBondContact NE-OE1 2.89Å; R23-E48 IonicContact NE-OE2 2.73Å; R23-E48 PolarHBondContact NE-OE2 3.5Å; R23-E48 IonicContact NH2-OE1 2.77Å; R23-E48 IonicContact NH2-OE2 2.84Å; R23-E48 PolarHBondContact NH2-OE2 2.86Å; Q30-E48 PolarHBondContact NE2-OE2 2.88Å; V44-E48 PolarHBondContact O-N 2.79Å; R45-E48 CarbonylContact O-C 3.48Å; R45-E48 PolarHBondContact O-N 3.31Å; R45-E48 VanDerWaalsContact O-N 3.1Å; E48-Y68 HydrophobicContact CG-CE1 4.09Å; E48-Y68 PolarHBondContact OE1-OH 3.28Å
49	E	91.8	Very high	86.3	Confident	75 Å²	75	57.4 Å²	57.4	35%	0.35	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	12.1	176.1	-68.9	177.3	-170.7	0	0	112.6	R45 D46 I47 K51	R45-E49 WeakPolarHBondContact CD-OE1 3.37Å; R45-E49 HydrophobicContact CG-CG 4.33Å; R45-E49 VanDerWaalsContact CG-OE1 3.23Å; R45-E49 WeakPolarHBondContact CG-OE1 3.2Å; R45-E49 IonicContact NE-OE1 3.37Å; R45-E49 WeakPolarHBondContact O-CB 3.26Å; R45-E49 WeakPolarHBondContact O-CG 3.43Å; R45-E49 PolarHBondContact O-N 2.86Å; D46-E49 PolarHBondContact O-N 2.85Å; I47-E49 PolarHBondContact O-N 3.17Å; E49-K51 HydrophobicContact CB-CD 4.01Å; E49-K51 HydrophobicContact CB-CG 4.27Å; E49-K51 PolarHBondContact O-N 3.12Å; E49-K51 VanDerWaalsContact O-N 3.17Å; E49-K51 WeakPolarHBondContact OE2-CE 3.44Å; E49-K51 IonicContact OE2-NZ 2.68Å; E49-K51 PolarHBondContact OE2-NZ 3.27Å
50	D	88.9	Confident	85.9	Confident	56 Å²	56	62 Å²	62	30%	0.299	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.2	-178	-64.6	-83	0	0	0	114.4	T14 T15 G16 D46 I47	T14-D50 WeakPolarHBondContact CB-OD1 3.46Å; T14-D50 WeakPolarHBondContact CB-OD2 3.36Å; T14-D50 PolarHBondContact OG1-OD2 3.3Å; T15-D50 PolarHBondContact N-OD1 2.89Å; G16-D50 PolarHBondContact N-OD1 3.49Å; G16-D50 PolarHBondContact N-OD2 3.07Å; D46-D50 PolarHBondContact O-N 3.42Å; I47-D50 PolarHBondContact O-N 2.87Å
51	K	86.8	Confident	85.7	Confident	111 Å²	111	55.4 Å²	55.4	48%	0.483	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-91.6	144.4	179.3	-68.5	168.3	-176	172.2	0	111.5	D46 E49	D46-K51 HydrophobicContact CB-CB 4.22Å; D46-K51 WeakPolarHBondContact O-CA 3.42Å; D46-K51 WeakPolarHBondContact O-CB 3.43Å; D46-K51 PolarHBondContact O-N 2.72Å; E49-K51 HydrophobicContact CB-CD 4.01Å; E49-K51 HydrophobicContact CB-CG 4.27Å; E49-K51 PolarHBondContact O-N 3.12Å; E49-K51 VanDerWaalsContact O-N 3.17Å; E49-K51 WeakPolarHBondContact OE2-CE 3.44Å; E49-K51 IonicContact OE2-NZ 2.68Å; E49-K51 PolarHBondContact OE2-NZ 3.27Å
52	A	77.4	Confident	85.4	Confident	61 Å²	61	54.1 Å²	54.1	50%	0.504	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-102.5	117.8	168.9	0	0	0	0	0	109.5	A54 L61	A52-A54 PolarHBondContact O-N 2.9Å; A52-L61 HydrophobicContact CB-CD2 3.72Å
53	P	74.1	Confident	85.1	Confident	21 Å²	21	53.3 Å²	53.3	14%	0.136	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.4	133.2	174.9	-21.3	32.6	0	0	0	111.1	D46 D55 L56	D46-P53 HydrophobicContact CB-CG 4.4Å; P53-D55 VanDerWaalsContact CB-OD1 3.25Å; P53-D55 WeakPolarHBondContact CB-OD1 3.33Å; P53-D55 PolarHBondContact O-N 2.79Å; P53-L56 HydrophobicContact CB-CB 3.89Å; P53-L56 HydrophobicContact CG-CB 4.27Å; P53-L56 HydrophobicContact CG-CD2 4.19Å; P53-L56 PolarHBondContact O-N 2.87Å; P53-L56 VanDerWaalsContact O-N 3.1Å
54	A	69.1	Low	85.1	Confident	117 Å²	117	56 Å²	56	97%	0.967	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.1	-172.9	0	0	0	0	0	113.9	A52	A52-A54 PolarHBondContact O-N 2.9Å
55	D	73.6	Confident	85	Confident	137 Å²	137	56 Å²	56	73%	0.733	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-11.1	176.1	60	-33.4	0	0	0	113.7	P53	P53-D55 VanDerWaalsContact CB-OD1 3.25Å; P53-D55 WeakPolarHBondContact CB-OD1 3.33Å; P53-D55 PolarHBondContact O-N 2.79Å
56	L	79.2	Confident	84.9	Confident	36 Å²	36	55.9 Å²	55.9	19%	0.188	32%	0.317	C	S	.	.	S	Bend	trans	-103.2	118.7	-173.7	-170.5	66.9	0	0	0	112.1	P53 F60 L61 Y64	P53-L56 HydrophobicContact CB-CB 3.89Å; P53-L56 HydrophobicContact CG-CB 4.27Å; P53-L56 HydrophobicContact CG-CD2 4.19Å; P53-L56 PolarHBondContact O-N 2.87Å; P53-L56 VanDerWaalsContact O-N 3.1Å; L56-F60 HydrophobicContact CD1-CB 3.62Å; L56-F60 HydrophobicContact CD1-CD2 4.49Å; L56-F60 HydrophobicContact CD1-CG 4.4Å; L56-F60 HydrophobicContact CG-CB 4.18Å; L56-L61 HydrophobicContact CD2-CB 3.9Å; L56-L61 HydrophobicContact CD2-CD1 4.06Å; L56-L61 HydrophobicContact CG-CB 4.41Å; L56-Y64 HydrophobicContact CD1-CE2 3.69Å; L56-Y64 HydrophobicContact CD2-CD2 3.74Å; L56-Y64 HydrophobicContact CD2-CE2 3.63Å; L56-Y64 HydrophobicContact CG-CE2 4.3Å
57	A	81.2	Confident	84.9	Confident	53 Å²	53	56.6 Å²	56.6	44%	0.438	32%	0.324	S	S	.	.			trans	-63.6	140.3	174.1	0	0	0	0	0	111.2	T59 F60 L61	A57-T59 PolarHBondContact O-N 3.11Å; A57-T59 VanDerWaalsContact O-N 3.07Å; A57-F60 HydrophobicContact CB-CD2 4Å; A57-F60 HydrophobicContact CB-CE2 4.48Å; A57-F60 PolarHBondContact O-N 2.87Å; A57-L61 PolarHBondContact O-N 3.23Å
58	S	79.7	Confident	85.1	Confident	28 Å²	28	56.6 Å²	56.6	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-19.9	-172.1	58.6	0	0	0	0	114.2	R62 P88	S58-R62 VanDerWaalsContact O-CG 3.31Å; S58-R62 WeakPolarHBondContact O-CG 3.27Å; S58-R62 PolarHBondContact O-N 3.26Å; S58-P88 WeakPolarHBondContact CB-O 3.3Å; S58-P88 PolarHBondContact OG-O 2.79Å
59	T	79	Confident	85.1	Confident	94 Å²	94	56.5 Å²	56.5	58%	0.577	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-46.3	168.3	45.7	0	0	0	0	112.5	A57 G63	A57-T59 PolarHBondContact O-N 3.11Å; A57-T59 VanDerWaalsContact O-N 3.07Å; T59-G63 PolarHBondContact O-N 3.2Å; T59-G63 VanDerWaalsContact O-N 3.09Å
60	F	84.7	Confident	85.1	Confident	121 Å²	121	59.5 Å²	59.5	53%	0.531	33%	0.332	S	S	.	.	H	α-helix	trans	-69.3	-41.1	176.1	-65	-63.9	0	0	0	111.5	L56 A57 R62 G63 Y64	L56-F60 HydrophobicContact CD1-CB 3.62Å; L56-F60 HydrophobicContact CD1-CD2 4.49Å; L56-F60 HydrophobicContact CD1-CG 4.4Å; L56-F60 HydrophobicContact CG-CB 4.18Å; A57-F60 HydrophobicContact CB-CD2 4Å; A57-F60 HydrophobicContact CB-CE2 4.48Å; A57-F60 PolarHBondContact O-N 2.87Å; F60-R62 VanDerWaalsContact C-N 3.34Å; F60-R62 PolarHBondContact O-N 2.9Å; F60-G63 CarbonylContact O-C 3.48Å; F60-G63 WeakPolarHBondContact O-CA 3.4Å; F60-G63 PolarHBondContact O-N 2.89Å; F60-Y64 HydrophobicContact CB-CE2 4.5Å; F60-Y64 WeakPolarHBondContact O-CD1 3.49Å; F60-Y64 VanDerWaalsContact O-CG 3.29Å; F60-Y64 PolarHBondContact O-N 2.83Å
61	L	87.7	Confident	85.3	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-43.4	175.6	-175.8	56.7	0	0	0	111.9	I47 A52 L56 A57 G63 Y64 I65 A87	I47-L61 HydrophobicContact CD1-CD1 4.25Å; I47-L61 HydrophobicContact CG1-CD1 3.79Å; A52-L61 HydrophobicContact CB-CD2 3.72Å; L56-L61 HydrophobicContact CD2-CB 3.9Å; L56-L61 HydrophobicContact CD2-CD1 4.06Å; L56-L61 HydrophobicContact CG-CB 4.41Å; A57-L61 PolarHBondContact O-N 3.23Å; L61-G63 VanDerWaalsContact C-N 3.32Å; L61-G63 PolarHBondContact O-N 2.89Å; L61-Y64 PolarHBondContact O-N 3.17Å; L61-I65 HydrophobicContact CD1-CD1 4.06Å; L61-I65 HydrophobicContact CD1-CG1 4.42Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.23Å; L61-A87 HydrophobicContact CB-CB 4.27Å; L61-A87 HydrophobicContact CD2-CB 3.85Å; L61-A87 HydrophobicContact CG-CB 3.96Å
62	R	87.9	Confident	85.7	Confident	27 Å²	27	53.5 Å²	53.5	10%	0.102	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-37.3	172.9	-68.9	177.2	93	121.6	-12.9	112.2	S58 F60 R66 L83 E84 A87	S58-R62 VanDerWaalsContact O-CG 3.31Å; S58-R62 WeakPolarHBondContact O-CG 3.27Å; S58-R62 PolarHBondContact O-N 3.26Å; F60-R62 VanDerWaalsContact C-N 3.34Å; F60-R62 PolarHBondContact O-N 2.9Å; R62-R66 WeakPolarHBondContact O-CB 3.43Å; R62-R66 VanDerWaalsContact O-CG 3.29Å; R62-R66 WeakPolarHBondContact O-CG 3.42Å; R62-R66 PolarHBondContact O-N 3.31Å; R62-R66 VanDerWaalsContact O-N 3.16Å; R62-L83 HydrophobicContact CB-CD1 4.28Å; R62-L83 HydrophobicContact CB-CD2 4.41Å; R62-L83 HydrophobicContact CG-CD1 3.83Å; R62-L83 HydrophobicContact CG-CD2 4.22Å; R62-L83 HydrophobicContact CG-CG 3.95Å; R62-E84 IonicContact CZ-OE1 2.73Å; R62-E84 IonicContact NH1-OE1 3.69Å; R62-E84 IonicContact NH2-OE1 3.94Å; R62-E84 PolarHBondContact NH2-OE1 2.81Å; R62-A87 WeakPolarHBondContact CD-O 3.47Å; R62-A87 HydrophobicContact CG-CB 3.54Å; R62-A87 PolarHBondContact NH1-O 2.92Å
63	G	88.3	Confident	86.3	Confident	30 Å²	30	57.8 Å²	57.8	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-41.2	173.7	0	0	0	0	0	113.6	T59 F60 L61 S67	T59-G63 PolarHBondContact O-N 3.2Å; T59-G63 VanDerWaalsContact O-N 3.09Å; F60-G63 CarbonylContact O-C 3.48Å; F60-G63 WeakPolarHBondContact O-CA 3.4Å; F60-G63 PolarHBondContact O-N 2.89Å; L61-G63 VanDerWaalsContact C-N 3.32Å; L61-G63 PolarHBondContact O-N 2.89Å; G63-S67 PolarHBondContact O-N 3.29Å; G63-S67 PolarHBondContact O-OG 2.94Å
64	Y	92.6	Very high	87.1	Confident	73 Å²	73	57.9 Å²	57.9	29%	0.286	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-44.6	178.4	-62	-14.9	0	0	0	111.8	L39 T43 L56 F60 L61 R66 S67 Y68	L39-Y64 HydrophobicContact CD1-CD2 4.41Å; L39-Y64 HydrophobicContact CD1-CG 4.16Å; L39-Y64 HydrophobicContact CD2-CD1 3.74Å; L39-Y64 HydrophobicContact CD2-CD2 3.82Å; L39-Y64 HydrophobicContact CD2-CE1 3.69Å; L39-Y64 HydrophobicContact CD2-CE2 3.76Å; L39-Y64 HydrophobicContact CD2-CG 3.81Å; T43-Y64 HydrophobicContact CG2-CD2 3.86Å; T43-Y64 HydrophobicContact CG2-CE2 4.17Å; L56-Y64 HydrophobicContact CD1-CE2 3.69Å; L56-Y64 HydrophobicContact CD2-CD2 3.74Å; L56-Y64 HydrophobicContact CD2-CE2 3.63Å; L56-Y64 HydrophobicContact CG-CE2 4.3Å; F60-Y64 HydrophobicContact CB-CE2 4.5Å; F60-Y64 WeakPolarHBondContact O-CD1 3.49Å; F60-Y64 VanDerWaalsContact O-CG 3.29Å; F60-Y64 PolarHBondContact O-N 2.83Å; L61-Y64 PolarHBondContact O-N 3.17Å; Y64-R66 VanDerWaalsContact C-N 3.34Å; Y64-R66 PolarHBondContact O-N 2.89Å; Y64-S67 PolarHBondContact O-N 3.49Å; Y64-Y68 WeakPolarHBondContact O-CB 3.37Å; Y64-Y68 PolarHBondContact O-N 3.34Å
65	I	92	Very high	87.9	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-43.7	176.8	-70.6	161.7	0	0	0	111.1	T15 L19 I47 L61 Y68 A69 L83 Q86	T15-I65 HydrophobicContact CG2-CG2 3.83Å; L19-I65 HydrophobicContact CD1-CG2 4.22Å; I47-I65 HydrophobicContact CD1-CG1 4.29Å; I47-I65 HydrophobicContact CG1-CG1 4.18Å; I47-I65 HydrophobicContact CG2-CG1 3.9Å; L61-I65 HydrophobicContact CD1-CD1 4.06Å; L61-I65 HydrophobicContact CD1-CG1 4.42Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.23Å; I65-Y68 PolarHBondContact O-N 3.48Å; I65-A69 WeakPolarHBondContact O-CB 3.34Å; I65-A69 PolarHBondContact O-N 2.9Å; I65-L83 HydrophobicContact CB-CD1 3.89Å; I65-L83 HydrophobicContact CD1-CD1 3.48Å; I65-L83 VanDerWaalsContact CD1-CD1 3.48Å; I65-L83 HydrophobicContact CG1-CD1 4.29Å; I65-L83 HydrophobicContact CG2-CD1 3.72Å; I65-Q86 HydrophobicContact CD1-CG 4.36Å; I65-Q86 VanDerWaalsContact CD1-OE1 3.31Å
66	R	91.4	Very high	88.3	Confident	102 Å²	102	50.7 Å²	50.7	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-44	174.7	-77.2	179	157.3	159.8	0.5	113.5	R62 Y64 Y68 A69 R70 E76	R62-R66 WeakPolarHBondContact O-CB 3.43Å; R62-R66 VanDerWaalsContact O-CG 3.29Å; R62-R66 WeakPolarHBondContact O-CG 3.42Å; R62-R66 PolarHBondContact O-N 3.31Å; R62-R66 VanDerWaalsContact O-N 3.16Å; Y64-R66 VanDerWaalsContact C-N 3.34Å; Y64-R66 PolarHBondContact O-N 2.89Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-A69 PolarHBondContact O-N 2.94Å; R66-R70 PolarHBondContact O-N 3.18Å; R66-E76 WeakPolarHBondContact CB-OE1 3.22Å; R66-E76 WeakPolarHBondContact CD-OE2 3.33Å; R66-E76 HydrophobicContact CG-CG 4.35Å; R66-E76 WeakPolarHBondContact CG-OE2 3.25Å; R66-E76 IonicContact CZ-OE2 3.04Å; R66-E76 IonicContact NE-OE2 3.75Å; R66-E76 PolarHBondContact NE-OE2 3.47Å
67	S	92.3	Very high	88.3	Confident	42 Å²	42	55.4 Å²	55.4	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-30.7	177.8	-65.7	0	0	0	0	112.5	L37 G63 Y64 R70 L71	L37-S67 WeakPolarHBondContact CD2-O 3.27Å; G63-S67 PolarHBondContact O-N 3.29Å; G63-S67 PolarHBondContact O-OG 2.94Å; Y64-S67 PolarHBondContact O-N 3.49Å; S67-R70 PolarHBondContact OG-NH2 2.87Å; S67-L71 WeakPolarHBondContact O-CB 3.31Å; S67-L71 PolarHBondContact O-N 3.12Å
68	Y	94.8	Very high	88.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.9	-46.9	170.2	-164.4	176.5	0	0	0	110.9	L19 R23 V33 L37 V44 I47 E48 Y64 I65 R66 R70 L71 V72	L19-Y68 HydrophobicContact CB-CD1 4.31Å; L19-Y68 HydrophobicContact CB-CE1 4.07Å; L19-Y68 HydrophobicContact CD1-CD1 3.93Å; L19-Y68 HydrophobicContact CD1-CE1 4.41Å; L19-Y68 HydrophobicContact CD1-CG 4.36Å; L19-Y68 HydrophobicContact CD2-CD1 4.28Å; L19-Y68 HydrophobicContact CD2-CD2 4.22Å; L19-Y68 HydrophobicContact CD2-CG 3.96Å; L19-Y68 HydrophobicContact CG-CD1 4.42Å; R23-Y68 HydrophobicContact CB-CE2 4.33Å; R23-Y68 WeakPolarHBondContact CB-OH 3.35Å; R23-Y68 WeakPolarHBondContact CD-OH 3.42Å; R23-Y68 PolarHBondContact NE-OH 3.09Å; V33-Y68 HydrophobicContact CB-CE2 4.32Å; V33-Y68 HydrophobicContact CG1-CD1 4.33Å; V33-Y68 HydrophobicContact CG1-CD2 3.79Å; V33-Y68 HydrophobicContact CG1-CE1 4.09Å; V33-Y68 HydrophobicContact CG1-CE2 3.54Å; V33-Y68 HydrophobicContact CG1-CG 4.21Å; V33-Y68 HydrophobicContact CG2-CE2 3.81Å; L37-Y68 HydrophobicContact CD1-CD2 4.3Å; L37-Y68 HydrophobicContact CD1-CG 4.01Å; V44-Y68 HydrophobicContact CG1-CE1 3.92Å; I47-Y68 HydrophobicContact CG2-CD1 4.02Å; I47-Y68 HydrophobicContact CG2-CE1 4.4Å; E48-Y68 HydrophobicContact CG-CE1 4.09Å; E48-Y68 PolarHBondContact OE1-OH 3.28Å; Y64-Y68 WeakPolarHBondContact O-CB 3.37Å; Y64-Y68 PolarHBondContact O-N 3.34Å; I65-Y68 PolarHBondContact O-N 3.48Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 3.28Å; Y68-L71 CarbonylContact O-C 3.45Å; Y68-L71 WeakPolarHBondContact O-CA 3.42Å; Y68-L71 WeakPolarHBondContact O-CB 3.44Å; Y68-L71 PolarHBondContact O-N 3.4Å; Y68-V72 HydrophobicContact CD2-CG1 3.89Å; Y68-V72 HydrophobicContact CD2-CG2 4.43Å; Y68-V72 HydrophobicContact CE2-CG1 3.57Å; Y68-V72 PolarHBondContact O-N 3.32Å
69	A	94	Very high	88.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-52.9	-48.8	175.7	0	0	0	0	0	112.5	L19 I65 R66 L71 V72 H73 I74 L79	L19-A69 HydrophobicContact CD2-CB 4.26Å; I65-A69 WeakPolarHBondContact O-CB 3.34Å; I65-A69 PolarHBondContact O-N 2.9Å; R66-A69 PolarHBondContact O-N 2.94Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 2.82Å; A69-V72 CarbonylContact O-C 3.46Å; A69-V72 PolarHBondContact O-N 2.89Å; A69-V72 VanDerWaalsContact O-N 3.14Å; A69-H73 PolarHBondContact O-N 2.6Å; A69-I74 PolarHBondContact O-N 3.36Å; A69-I74 VanDerWaalsContact O-N 3.08Å; A69-L79 HydrophobicContact CB-CD1 3.42Å; A69-L79 VanDerWaalsContact CB-CD1 3.42Å
70	R	92.7	Very high	87.7	Confident	139 Å²	139	55.1 Å²	55.1	53%	0.525	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-26.7	174.1	-81.8	-176.4	-83.2	102.9	7.7	114.3	R66 S67 Y68 E76	R66-R70 PolarHBondContact O-N 3.18Å; S67-R70 PolarHBondContact OG-NH2 2.87Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 3.28Å; R70-E76 IonicContact CZ-OE1 2.78Å; R70-E76 IonicContact NE-OE1 3.63Å; R70-E76 PolarHBondContact NE-OE1 3.1Å; R70-E76 IonicContact NH2-OE1 2.69Å; R70-E76 PolarHBondContact NH2-OE1 3.33Å
71	L	93.1	Very high	87.1	Confident	34 Å²	34	53.7 Å²	53.7	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-78.5	-27.8	174.7	176.2	62	0	0	0	112.8	V33 R36 L37 S67 Y68 A69	V33-L71 HydrophobicContact CB-CD2 4.43Å; V33-L71 HydrophobicContact CG1-CD2 4.2Å; V33-L71 HydrophobicContact CG2-CD2 4.19Å; R36-L71 HydrophobicContact CB-CD1 4.38Å; R36-L71 HydrophobicContact CB-CD2 3.88Å; L37-L71 HydrophobicContact CD1-CD2 4.19Å; L37-L71 HydrophobicContact CD2-CB 4.22Å; L37-L71 HydrophobicContact CD2-CD2 3.83Å; L37-L71 HydrophobicContact CG-CD2 3.78Å; S67-L71 WeakPolarHBondContact O-CB 3.31Å; S67-L71 PolarHBondContact O-N 3.12Å; Y68-L71 CarbonylContact O-C 3.45Å; Y68-L71 WeakPolarHBondContact O-CA 3.42Å; Y68-L71 WeakPolarHBondContact O-CB 3.44Å; Y68-L71 PolarHBondContact O-N 3.4Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 2.82Å
72	V	94.4	Very high	86.4	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.036	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	15.6	178.4	-57.6	0	0	0	0	114.2	L19 A22 R23 L26 Y68 A69 I74	L19-V72 HydrophobicContact CD2-CG2 3.89Å; A22-V72 HydrophobicContact CB-CB 3.78Å; A22-V72 HydrophobicContact CB-CG2 3.76Å; R23-V72 HydrophobicContact CB-CG1 4.21Å; L26-V72 HydrophobicContact CD1-CB 3.91Å; L26-V72 HydrophobicContact CD1-CG1 4.18Å; Y68-V72 HydrophobicContact CD2-CG1 3.89Å; Y68-V72 HydrophobicContact CD2-CG2 4.43Å; Y68-V72 HydrophobicContact CE2-CG1 3.57Å; Y68-V72 PolarHBondContact O-N 3.32Å; A69-V72 CarbonylContact O-C 3.46Å; A69-V72 PolarHBondContact O-N 2.89Å; A69-V72 VanDerWaalsContact O-N 3.14Å; V72-I74 VanDerWaalsContact C-N 3.25Å; V72-I74 HydrophobicContact CG2-CD1 3.9Å; V72-I74 HydrophobicContact CG2-CG1 4.06Å; V72-I74 PolarHBondContact O-N 2.88Å
73	H	91.5	Very high	85.6	Confident	152 Å²	152	53.4 Å²	53.4	70%	0.704	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	25.5	176.3	-53.8	-65.9	0	0	0	116	A69	A69-H73 PolarHBondContact O-N 2.6Å
74	I	89.6	Confident	84.8	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.118	28%	0.281	C	S	.	.			trans	-85.1	130.4	168.5	-62.8	171.1	0	0	0	108.8	R18 L19 A22 A69 V72 E78 L79	R18-I74 HydrophobicContact CB-CD1 4.23Å; L19-I74 HydrophobicContact CD2-CD1 4.37Å; A22-I74 HydrophobicContact CB-CD1 3.66Å; A22-I74 HydrophobicContact CB-CG1 3.93Å; A69-I74 PolarHBondContact O-N 3.36Å; A69-I74 VanDerWaalsContact O-N 3.08Å; V72-I74 VanDerWaalsContact C-N 3.25Å; V72-I74 HydrophobicContact CG2-CD1 3.9Å; V72-I74 HydrophobicContact CG2-CG1 4.06Å; V72-I74 PolarHBondContact O-N 2.88Å; I74-E78 HydrophobicContact CG2-CB 4.33Å; I74-L79 HydrophobicContact CB-CD1 4.45Å; I74-L79 HydrophobicContact CG2-CD1 3.92Å; I74-L79 HydrophobicContact CG2-CD2 4.06Å; I74-L79 HydrophobicContact CG2-CG 3.78Å
75	P	86	Confident	83.9	Confident	58 Å²	58	62.3 Å²	62.3	38%	0.377	31%	0.305	S	S	.	.			trans	-56	138.3	171.7	-24.6	35	0	0	0	112	E77 E78	P75-E77 WeakPolarHBondContact CB-OE2 3.5Å; P75-E77 PolarHBondContact O-N 2.92Å; P75-E78 HydrophobicContact CB-CG 4.32Å; P75-E78 WeakPolarHBondContact CD-OE1 3.38Å; P75-E78 HydrophobicContact CG-CG 4.45Å; P75-E78 WeakPolarHBondContact CG-OE1 3.34Å; P75-E78 PolarHBondContact O-N 3.02Å
76	E	82.1	Confident	82.9	Confident	44 Å²	44	63 Å²	63	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-27.2	-177.7	-69.8	-161.8	-173.1	0	0	111.7	R66 R70 L79 L80	R66-E76 WeakPolarHBondContact CB-OE1 3.22Å; R66-E76 WeakPolarHBondContact CD-OE2 3.33Å; R66-E76 HydrophobicContact CG-CG 4.35Å; R66-E76 WeakPolarHBondContact CG-OE2 3.25Å; R66-E76 IonicContact CZ-OE2 3.04Å; R66-E76 IonicContact NE-OE2 3.75Å; R66-E76 PolarHBondContact NE-OE2 3.47Å; R70-E76 IonicContact CZ-OE1 2.78Å; R70-E76 IonicContact NE-OE1 3.63Å; R70-E76 PolarHBondContact NE-OE1 3.1Å; R70-E76 IonicContact NH2-OE1 2.69Å; R70-E76 PolarHBondContact NH2-OE1 3.33Å; E76-L79 PolarHBondContact O-N 3.01Å; E76-L80 WeakPolarHBondContact O-CG 3.46Å; E76-L80 PolarHBondContact O-N 2.95Å
77	E	80	Confident	81.9	Confident	135 Å²	135	58.1 Å²	58.1	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-44.3	179.6	-62.3	68.5	-150.5	0	0	112	P75 L79 L80	P75-E77 WeakPolarHBondContact CB-OE2 3.5Å; P75-E77 PolarHBondContact O-N 2.92Å; E77-L79 PolarHBondContact O-N 3.49Å; E77-L80 PolarHBondContact O-N 2.85Å
78	E	79.1	Confident	80.7	Confident	95 Å²	95	59 Å²	59	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-25.7	-179.5	-74.7	-173.5	-141.8	0	0	113.2	R18 I74 P75	R18-E78 IonicContact NH1-OE2 2.81Å; R18-E78 PolarHBondContact NH1-OE2 2.87Å; I74-E78 HydrophobicContact CG2-CB 4.33Å; P75-E78 HydrophobicContact CB-CG 4.32Å; P75-E78 WeakPolarHBondContact CD-OE1 3.38Å; P75-E78 HydrophobicContact CG-CG 4.45Å; P75-E78 WeakPolarHBondContact CG-OE1 3.34Å; P75-E78 PolarHBondContact O-N 3.02Å
79	L	76.8	Confident	79.1	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-92.8	-16.1	-177.3	-61.7	178.9	0	0	0	112.9	T15 R18 L19 A69 I74 E76 E77 P81 G82 L83	T15-L79 HydrophobicContact CG2-CD2 4.42Å; R18-L79 HydrophobicContact CB-CD2 4.09Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L19-L79 HydrophobicContact CG-CD1 4.48Å; A69-L79 HydrophobicContact CB-CD1 3.42Å; A69-L79 VanDerWaalsContact CB-CD1 3.42Å; I74-L79 HydrophobicContact CB-CD1 4.45Å; I74-L79 HydrophobicContact CG2-CD1 3.92Å; I74-L79 HydrophobicContact CG2-CD2 4.06Å; I74-L79 HydrophobicContact CG2-CG 3.78Å; E76-L79 PolarHBondContact O-N 3.01Å; E77-L79 PolarHBondContact O-N 3.49Å; L79-P81 VanDerWaalsContact C-CD 3.44Å; L79-G82 PolarHBondContact O-N 2.83Å; L79-L83 VanDerWaalsContact O-CB 3.23Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 PolarHBondContact O-N 2.75Å
80	L	71.1	Confident	77.5	Confident	69 Å²	69	75.5 Å²	75.5	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-50.7	-45.5	-179.3	-61.8	177.8	0	0	0	113.5	E76 E77 G82 L83 E84	E76-L80 WeakPolarHBondContact O-CG 3.46Å; E76-L80 PolarHBondContact O-N 2.95Å; E77-L80 PolarHBondContact O-N 2.85Å; L80-G82 VanDerWaalsContact C-N 3.29Å; L80-G82 PolarHBondContact O-N 2.93Å; L80-L83 HydrophobicContact CD2-CD2 4.29Å; L80-L83 PolarHBondContact O-N 3.23Å; L80-E84 WeakPolarHBondContact O-CG 3.44Å; L80-E84 PolarHBondContact O-N 2.88Å
81	P	72.4	Confident	75.7	Confident	90 Å²	90	73.3 Å²	73.3	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-67.4	-25.1	-176.3	-20.7	34.4	0	0	0	114.7	L79	L79-P81 VanDerWaalsContact C-CD 3.44Å
82	G	72.2	Confident	74	Confident	21 Å²	21	75.8 Å²	75.8	22%	0.216	40%	0.402	C	S	.	.	H	α-helix	trans	-90.8	-35	174	0	0	0	0	0	112.7	T15 L79 L80 E84 K85 Q86	T15-G82 VanDerWaalsContact OG1-C 3.27Å; T15-G82 VanDerWaalsContact OG1-CA 3.29Å; T15-G82 WeakPolarHBondContact OG1-CA 3.43Å; L79-G82 PolarHBondContact O-N 2.83Å; L80-G82 VanDerWaalsContact C-N 3.29Å; L80-G82 PolarHBondContact O-N 2.93Å; G82-E84 PolarHBondContact O-N 3.47Å; G82-K85 WeakPolarHBondContact O-CB 3.35Å; G82-K85 PolarHBondContact O-N 2.69Å; G82-Q86 PolarHBondContact O-N 2.7Å
83	L	72.2	Confident	72	Confident	2 Å²	2	85.5 Å²	85.5	1%	0.01	44%	0.444	C	S	.	.	H	α-helix	trans	-56.5	-33.4	178.3	-175.2	60.1	0	0	0	112.8	T15 R62 I65 L79 L80 K85 A87	T15-L83 PolarHBondContact OG1-N 2.96Å; R62-L83 HydrophobicContact CB-CD1 4.28Å; R62-L83 HydrophobicContact CB-CD2 4.41Å; R62-L83 HydrophobicContact CG-CD1 3.83Å; R62-L83 HydrophobicContact CG-CD2 4.22Å; R62-L83 HydrophobicContact CG-CG 3.95Å; I65-L83 HydrophobicContact CB-CD1 3.89Å; I65-L83 HydrophobicContact CD1-CD1 3.48Å; I65-L83 VanDerWaalsContact CD1-CD1 3.48Å; I65-L83 HydrophobicContact CG1-CD1 4.29Å; I65-L83 HydrophobicContact CG2-CD1 3.72Å; L79-L83 VanDerWaalsContact O-CB 3.23Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 PolarHBondContact O-N 2.75Å; L80-L83 HydrophobicContact CD2-CD2 4.29Å; L80-L83 PolarHBondContact O-N 3.23Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-A87 HydrophobicContact CD1-CB 4.34Å; L83-A87 CarbonylContact O-C 3.57Å; L83-A87 WeakPolarHBondContact O-CA 3.22Å; L83-A87 PolarHBondContact O-N 3.15Å
84	E	71.6	Confident	70.3	Confident	110 Å²	110	84.4 Å²	84.4	51%	0.514	45%	0.448	S	S	.	.	H	α-helix	trans	-71.8	-28.5	178	-50.5	-128.4	109.4	0	0	112.9	R62 L80 G82 P88	R62-E84 IonicContact CZ-OE1 2.73Å; R62-E84 IonicContact NH1-OE1 3.69Å; R62-E84 IonicContact NH2-OE1 3.94Å; R62-E84 PolarHBondContact NH2-OE1 2.81Å; L80-E84 WeakPolarHBondContact O-CG 3.44Å; L80-E84 PolarHBondContact O-N 2.88Å; G82-E84 PolarHBondContact O-N 3.47Å; E84-P88 WeakPolarHBondContact O-CA 3.33Å
85	K	73.7	Confident	68.7	Low	180 Å²	180	87 Å²	87	78%	0.783	47%	0.473	S	S	*	.	H	α-helix	trans	-78.9	-44.6	176.1	-58.6	175.4	-175.4	172.7	0	111	G82 L83	G82-K85 WeakPolarHBondContact O-CB 3.35Å; G82-K85 PolarHBondContact O-N 2.69Å; L83-K85 VanDerWaalsContact C-N 3.33Å
86	Q	70.9	Confident	67.3	Low	14 Å²	14	89.8 Å²	89.8	7%	0.065	49%	0.491	C	S	.	.	H	α-helix	trans	-73.3	-38.4	-179.4	-171.4	179.6	11.9	0	0	112.6	T15 I47 I65 G82	T15-Q86 VanDerWaalsContact CG2-OE1 3.32Å; I47-Q86 PolarHBondContact O-NE2 2.85Å; I47-Q86 VanDerWaalsContact O-NE2 3.1Å; I65-Q86 HydrophobicContact CD1-CG 4.36Å; I65-Q86 VanDerWaalsContact CD1-OE1 3.31Å; G82-Q86 PolarHBondContact O-N 2.7Å
87	A	69.1	Low	65.8	Low	1 Å²	1	96.3 Å²	96.3	1%	0.008	52%	0.523	C	S	.	.	S	Bend	trans	-133.3	69	-174.1	0	0	0	0	0	111.6	L61 R62 L83	L61-A87 HydrophobicContact CB-CB 4.27Å; L61-A87 HydrophobicContact CD2-CB 3.85Å; L61-A87 HydrophobicContact CG-CB 3.96Å; R62-A87 WeakPolarHBondContact CD-O 3.47Å; R62-A87 HydrophobicContact CG-CB 3.54Å; R62-A87 PolarHBondContact NH1-O 2.92Å; L83-A87 HydrophobicContact CD1-CB 4.34Å; L83-A87 CarbonylContact O-C 3.57Å; L83-A87 WeakPolarHBondContact O-CA 3.22Å; L83-A87 PolarHBondContact O-N 3.15Å
88	P	67.8	Low	64.5	Low	61 Å²	61	97.5 Å²	97.5	40%	0.396	53%	0.529	S	S	.	.			trans	-62.7	145.1	-175.8	24	-34.3	0	0	0	112.8	S58 E84 R90	S58-P88 WeakPolarHBondContact CB-O 3.3Å; S58-P88 PolarHBondContact OG-O 2.79Å; E84-P88 WeakPolarHBondContact O-CA 3.33Å; P88-R90 VanDerWaalsContact C-N 3.3Å; P88-R90 PolarHBondContact O-N 3.08Å
89	L	61.1	Low	63.3	Low	123 Å²	123	98 Å²	98	64%	0.644	54%	0.543	S	S	*	.			trans	-73.2	83.1	172.6	-66.8	176.7	0	0	0	109.9	A91	L89-A91 PolarHBondContact O-N 2.98Å
90	R	60	Low	62.1	Low	222 Å²	222	106.9 Å²	106.9	84%	0.838	58%	0.581	S	S	*	*			trans	-63.9	108.8	164.6	-73.2	-176.3	176.7	165.9	1.3	108	P88 A92	P88-R90 VanDerWaalsContact C-N 3.3Å; P88-R90 PolarHBondContact O-N 3.08Å; R90-A92 PolarHBondContact O-N 3.49Å; R90-A92 VanDerWaalsContact O-N 3.15Å
91	A	55.2	Low	61.2	Low	93 Å²	93	108.2 Å²	108.2	77%	0.769	60%	0.596	S	S	*	*			trans	-51.4	122.9	166.4	0	0	0	0	0	108.4	L89 K93	L89-A91 PolarHBondContact O-N 2.98Å; A91-K93 PolarHBondContact O-N 2.96Å
92	A	56.3	Low	60.2	Low	86 Å²	86	111.9 Å²	111.9	71%	0.711	61%	0.61	S	S	*	*			trans	-58.5	125.4	176.2	0	0	0	0	0	108	R90 V94	R90-A92 PolarHBondContact O-N 3.49Å; R90-A92 VanDerWaalsContact O-N 3.15Å; A92-V94 PolarHBondContact O-N 2.74Å
93	K	53.7	Low	59	Low	211 Å²	211	113.7 Å²	113.7	92%	0.917	63%	0.629	S	S	*	*			trans	-65.2	93	166.1	-87.8	-173.8	172.3	-178.2	0	107	A91 A95	A91-K93 PolarHBondContact O-N 2.96Å; K93-A95 VanDerWaalsContact C-N 3.29Å; K93-A95 PolarHBondContact O-N 3.35Å
94	V	54.6	Low	57.9	Low	129 Å²	129	122.6 Å²	122.6	78%	0.782	67%	0.668	S	S	*	*			trans	-62.3	97.1	171	-179	0	0	0	0	106.4	A92	A92-V94 PolarHBondContact O-N 2.74Å
95	A	56.9	Low	56.8	Low	77 Å²	77	129 Å²	129	64%	0.636	69%	0.687	S	S	*	*			trans	-56.1	131.2	164.9	0	0	0	0	0	106.8	K93 M97	K93-A95 VanDerWaalsContact C-N 3.29Å; K93-A95 PolarHBondContact O-N 3.35Å; A95-M97 PolarHBondContact O-N 2.86Å; A95-M97 VanDerWaalsContact O-N 3.17Å
96	P	56	Low	55.6	Low	116 Å²	116	130.5 Å²	130.5	75%	0.753	69%	0.688	S	S	*	*			trans	-55.9	128.2	-179.9	23.6	-33.3	0	0	0	108.3	Q98	P96-Q98 PolarHBondContact O-N 3.41Å
97	M	51.3	Low	54.8	Low	181 Å²	181	138 Å²	138	89%	0.892	72%	0.72	S	S	*	*			trans	-56.9	106.4	-174.2	-177	-174.8	-66.2	0	0	109.1	A95 S99	A95-M97 PolarHBondContact O-N 2.86Å; A95-M97 VanDerWaalsContact O-N 3.17Å; M97-S99 PolarHBondContact O-N 2.83Å; M97-S99 VanDerWaalsContact O-N 3.08Å
98	Q	52.1	Low	54.2	Low	160 Å²	160	148.5 Å²	148.5	75%	0.748	77%	0.766	S	S	*	*			trans	-62.1	117.6	172.1	-75.5	-166.3	-11.3	0	0	107.4	P96 F100	P96-Q98 PolarHBondContact O-N 3.41Å; Q98-F100 PolarHBondContact O-N 2.91Å
99	S	53.8	Low	53.6	Low	105 Å²	105	155.9 Å²	155.9	73%	0.734	79%	0.786	S	S	*	*			trans	-66.6	100.4	176.8	44.7	0	0	0	0	108.7	M97 S101	M97-S99 PolarHBondContact O-N 2.83Å; M97-S99 VanDerWaalsContact O-N 3.08Å; S99-S101 PolarHBondContact O-N 2.87Å
100	F	51.7	Low	53.4	Low	193 Å²	193	154.2 Å²	154.2	85%	0.846	78%	0.777	S	S	*	*			trans	-67.8	64.8	164.1	-78.3	-82.3	0	0	0	109.8	Q98 L102	Q98-F100 PolarHBondContact O-N 2.91Å; F100-L102 PolarHBondContact O-N 3.06Å
101	S	52.3	Low	53.7	Low	97 Å²	97	145.8 Å²	145.8	68%	0.678	76%	0.76	S	S	*	*			trans	-56.2	127.8	158.7	66.9	0	0	0	0	107.2	S99 G103	S99-S101 PolarHBondContact O-N 2.87Å; S101-G103 PolarHBondContact O-N 3.12Å
102	L	50.9	Low	54.9	Low	167 Å²	167	150.6 Å²	150.6	87%	0.874	76%	0.758	S	S	*	*			trans	-75	33	178.2	-82.9	162.7	0	0	0	112.5	F100 K104	F100-L102 PolarHBondContact O-N 3.06Å; L102-K104 PolarHBondContact O-N 3.42Å
103	G	47.7	Very low	55.9	Low	59 Å²	59	151.4 Å²	151.4	61%	0.608	75%	0.75	S	S	*	*			trans	-67.2	77.5	164.2	0	0	0	0	0	110	S101 R105	S101-G103 PolarHBondContact O-N 3.12Å; G103-R105 PolarHBondContact O-N 3.32Å
104	K	48.4	Very low	57.1	Low	189 Å²	189	146 Å²	146	82%	0.822	73%	0.729	S	S	*	*			trans	-50.7	106.1	167.9	-74.3	-176.3	177.8	178.7	0	107.9	L102 R106	L102-K104 PolarHBondContact O-N 3.42Å; K104-R106 VanDerWaalsContact C-N 3.31Å; K104-R106 PolarHBondContact O-N 2.92Å
105	R	48.6	Very low	58.3	Low	244 Å²	244	144 Å²	144	92%	0.921	72%	0.717	S	S	*	*			trans	-57.7	98.4	165.2	-85.5	-175.2	169.6	-177.3	-2.8	106.9	G103 K107	G103-R105 PolarHBondContact O-N 3.32Å; R105-K107 PolarHBondContact O-N 2.84Å
106	R	48.5	Very low	59.8	Low	213 Å²	213	145.8 Å²	145.8	80%	0.804	71%	0.711	S	S	*	*			trans	-47.8	113	173.2	-98.5	-178.9	164.6	170.5	-4.5	107.3	K104 K108	K104-R106 VanDerWaalsContact C-N 3.31Å; K104-R106 PolarHBondContact O-N 2.92Å; R106-K108 PolarHBondContact O-N 2.86Å
107	K	55.3	Low	61.3	Low	171 Å²	171	144.1 Å²	144.1	74%	0.743	70%	0.699	S	S	*	*			trans	-60.6	129	173.8	-82.4	-177.9	174.6	175.8	0	106.3	R105 R109	R105-K107 PolarHBondContact O-N 2.84Å; K107-R109 PolarHBondContact O-N 2.79Å
108	K	55.6	Low	63.2	Low	221 Å²	221	142 Å²	142	96%	0.961	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	22.2	-177.2	-154.7	-176.3	178.5	-176	0	113.4	R106	R106-K108 PolarHBondContact O-N 2.86Å
109	R	54.7	Low	65.1	Low	217 Å²	217	139.8 Å²	139.8	82%	0.819	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-12.2	-173	-133.4	171.2	73.9	162.8	4.6	113.2	K107 G111	K107-R109 PolarHBondContact O-N 2.79Å; R109-G111 PolarHBondContact O-N 2.9Å
110	D	57.6	Low	67	Low	87 Å²	87	138.1 Å²	138.1	47%	0.465	66%	0.659	S	S	.	*	H	α-helix	trans	-76.5	-10	176.1	-57.1	-19	0	0	0	112.7	W112 L113 M114	D110-W112 PolarHBondContact O-N 2.86Å; D110-L113 PolarHBondContact O-N 2.94Å; D110-M114 WeakPolarHBondContact O-CB 3.47Å; D110-M114 PolarHBondContact O-N 2.75Å
111	G	67.4	Low	69	Low	46 Å²	46	133 Å²	133	47%	0.474	64%	0.64	S	S	.	*	H	α-helix	trans	-58	-49.4	-176.1	0	0	0	0	0	113.5	R109 M114 T115	R109-G111 PolarHBondContact O-N 2.9Å; G111-M114 PolarHBondContact O-N 3.28Å; G111-T115 PolarHBondContact O-N 2.95Å; G111-T115 PolarHBondContact O-OG1 2.9Å
112	W	80.1	Confident	71	Confident	193 Å²	193	134.9 Å²	134.9	73%	0.731	64%	0.636	S	S	*	*	H	α-helix	trans	-66.3	-39.6	177.7	-178.7	69.5	0	0	0	112.2	D110 T115 F116	D110-W112 PolarHBondContact O-N 2.86Å; W112-T115 VanDerWaalsContact CA-OG1 3.29Å; W112-T115 WeakPolarHBondContact CA-OG1 3.16Å; W112-T115 PolarHBondContact O-N 3.21Å; W112-T115 PolarHBondContact O-OG1 3.33Å; W112-F116 PolarHBondContact O-N 3.34Å
113	L	76.8	Confident	73.1	Confident	104 Å²	104	130.6 Å²	130.6	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-68	-36.5	178.8	-140.4	79.7	0	0	0	111.9	D110 F116 T117	D110-L113 PolarHBondContact O-N 2.94Å; L113-F116 PolarHBondContact O-N 3.38Å; L113-T117 PolarHBondContact O-N 2.74Å; L113-T117 PolarHBondContact O-OG1 3.5Å
114	M	78.8	Confident	75.4	Confident	97 Å²	97	131.4 Å²	131.4	48%	0.478	61%	0.61	S	S	.	*	H	α-helix	trans	-65.9	-45.8	169.8	-81.7	-157.7	111.5	0	0	111.5	D110 G111 F116 T117 W118	D110-M114 WeakPolarHBondContact O-CB 3.47Å; D110-M114 PolarHBondContact O-N 2.75Å; G111-M114 PolarHBondContact O-N 3.28Å; M114-F116 VanDerWaalsContact C-N 3.26Å; M114-F116 PolarHBondContact O-N 2.72Å; M114-T117 WeakPolarHBondContact CA-OG1 3.39Å; M114-T117 PolarHBondContact O-N 2.67Å; M114-T117 PolarHBondContact O-OG1 2.85Å; M114-W118 WeakPolarHBondContact O-CB 3.41Å; M114-W118 VanDerWaalsContact O-CD1 3.27Å; M114-W118 PolarHBondContact O-N 2.76Å
115	T	80	Confident	77.6	Confident	86 Å²	86	127.2 Å²	127.2	53%	0.528	60%	0.595	S	S	.	*	H	α-helix	trans	-60.5	-37.9	176	45.7	0	0	0	0	112	G111 W112 L119	G111-T115 PolarHBondContact O-N 2.95Å; G111-T115 PolarHBondContact O-OG1 2.9Å; W112-T115 VanDerWaalsContact CA-OG1 3.29Å; W112-T115 WeakPolarHBondContact CA-OG1 3.16Å; W112-T115 PolarHBondContact O-N 3.21Å; W112-T115 PolarHBondContact O-OG1 3.33Å; T115-L119 WeakPolarHBondContact O-CB 3.24Å; T115-L119 PolarHBondContact O-N 3.1Å
116	F	88.7	Confident	79.8	Confident	116 Å²	116	117.7 Å²	117.7	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-67.5	-46.6	176.2	-172.6	-96.5	0	0	0	112.4	W112 L113 M114 W118 L119 V120	W112-F116 PolarHBondContact O-N 3.34Å; L113-F116 PolarHBondContact O-N 3.38Å; M114-F116 VanDerWaalsContact C-N 3.26Å; M114-F116 PolarHBondContact O-N 2.72Å; F116-W118 PolarHBondContact O-N 3.37Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 2.87Å; F116-V120 HydrophobicContact CD1-CG2 4.21Å; F116-V120 HydrophobicContact CE1-CG2 3.83Å; F116-V120 HydrophobicContact CZ-CG2 4.12Å; F116-V120 WeakPolarHBondContact O-CG2 3.37Å; F116-V120 PolarHBondContact O-N 2.67Å
117	T	86.1	Confident	82	Confident	80 Å²	80	113 Å²	113	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-36	176.9	38.5	0	0	0	0	112.8	L113 M114 L121	L113-T117 PolarHBondContact O-N 2.74Å; L113-T117 PolarHBondContact O-OG1 3.5Å; M114-T117 WeakPolarHBondContact CA-OG1 3.39Å; M114-T117 PolarHBondContact O-N 2.67Å; M114-T117 PolarHBondContact O-OG1 2.85Å; T117-L121 VanDerWaalsContact O-CB 3.32Å; T117-L121 WeakPolarHBondContact O-CB 3.38Å; T117-L121 PolarHBondContact O-N 2.65Å
118	W	91.5	Very high	83.8	Confident	138 Å²	138	108.3 Å²	108.3	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-39	170.4	-86.5	99.8	0	0	0	112.5	M114 F116 L121 F122	M114-W118 WeakPolarHBondContact O-CB 3.41Å; M114-W118 VanDerWaalsContact O-CD1 3.27Å; M114-W118 PolarHBondContact O-N 2.76Å; F116-W118 PolarHBondContact O-N 3.37Å; W118-L121 HydrophobicContact CE3-CD2 4.1Å; W118-L121 HydrophobicContact CZ3-CD2 4.11Å; W118-L121 PolarHBondContact O-N 2.74Å; W118-F122 HydrophobicContact CE3-CD2 4.14Å; W118-F122 AromaticContact CE3-CE2 3.68Å; W118-F122 HydrophobicContact CE3-CE2 3.68Å; W118-F122 HydrophobicContact CE3-CZ 4.46Å; W118-F122 HydrophobicContact CZ3-CE2 4.12Å; W118-F122 HydrophobicContact CZ3-CZ 4.47Å; W118-F122 VanDerWaalsContact O-CD2 3.31Å; W118-F122 WeakPolarHBondContact O-CD2 3.38Å; W118-F122 PolarHBondContact O-N 3.44Å
119	L	92.7	Very high	85.6	Confident	113 Å²	113	99.6 Å²	99.6	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-63	-46.4	176	-132.2	170.2	0	0	0	111.1	T115 F116 L121 F122 V123	T115-L119 WeakPolarHBondContact O-CB 3.24Å; T115-L119 PolarHBondContact O-N 3.1Å; F116-L119 WeakPolarHBondContact O-CB 3.47Å; F116-L119 PolarHBondContact O-N 2.87Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.49Å; L119-F122 PolarHBondContact O-N 2.86Å; L119-V123 HydrophobicContact CD2-CG2 4.14Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 3.43Å
120	V	94	Very high	87.4	Confident	70 Å²	70	91.7 Å²	91.7	42%	0.424	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174	173.5	0	0	0	0	111	F116 F122 V123 V124	F116-V120 HydrophobicContact CD1-CG2 4.21Å; F116-V120 HydrophobicContact CE1-CG2 3.83Å; F116-V120 HydrophobicContact CZ-CG2 4.12Å; F116-V120 WeakPolarHBondContact O-CG2 3.37Å; F116-V120 PolarHBondContact O-N 2.67Å; V120-F122 PolarHBondContact O-N 3.42Å; V120-V123 PolarHBondContact O-N 2.97Å; V120-V124 HydrophobicContact CG1-CG2 4.39Å; V120-V124 WeakPolarHBondContact O-CG2 3.39Å; V120-V124 PolarHBondContact O-N 3.11Å
121	L	92.5	Very high	88.9	Confident	86 Å²	86	95.9 Å²	95.9	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-45.1	177.4	-166.2	79.2	0	0	0	111.8	T117 W118 L119 V124 I125	T117-L121 VanDerWaalsContact O-CB 3.32Å; T117-L121 WeakPolarHBondContact O-CB 3.38Å; T117-L121 PolarHBondContact O-N 2.65Å; W118-L121 HydrophobicContact CE3-CD2 4.1Å; W118-L121 HydrophobicContact CZ3-CD2 4.11Å; W118-L121 PolarHBondContact O-N 2.74Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.49Å; L121-V124 PolarHBondContact O-N 3.46Å; L121-I125 HydrophobicContact CD2-CD1 4.28Å; L121-I125 HydrophobicContact CG-CD1 3.91Å; L121-I125 WeakPolarHBondContact O-CB 3.35Å; L121-I125 VanDerWaalsContact O-CG1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 2.85Å
122	F	95.4	Very high	89.9	Confident	136 Å²	136	101 Å²	101	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-37.7	176.2	-88.8	-67.1	0	0	0	112.8	W118 L119 V120 G126	W118-F122 HydrophobicContact CE3-CD2 4.14Å; W118-F122 AromaticContact CE3-CE2 3.68Å; W118-F122 HydrophobicContact CE3-CE2 3.68Å; W118-F122 HydrophobicContact CE3-CZ 4.46Å; W118-F122 HydrophobicContact CZ3-CE2 4.12Å; W118-F122 HydrophobicContact CZ3-CZ 4.47Å; W118-F122 VanDerWaalsContact O-CD2 3.31Å; W118-F122 WeakPolarHBondContact O-CD2 3.38Å; W118-F122 PolarHBondContact O-N 3.44Å; L119-F122 PolarHBondContact O-N 2.86Å; V120-F122 PolarHBondContact O-N 3.42Å; F122-G126 PolarHBondContact O-N 2.96Å
123	V	95	Very high	90.3	Very high	76 Å²	76	100 Å²	100	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-43.7	174.5	169.4	0	0	0	0	111	L119 V120 G126 L127	L119-V123 HydrophobicContact CD2-CG2 4.14Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 3.43Å; V120-V123 PolarHBondContact O-N 2.97Å; V123-G126 PolarHBondContact O-N 3.45Å; V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.4Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 2.93Å
124	V	95.5	Very high	90.8	Very high	77 Å²	77	101.9 Å²	101.9	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-47.4	176.5	171.2	0	0	0	0	111.1	V120 L121 G126 L127 S128	V120-V124 HydrophobicContact CG1-CG2 4.39Å; V120-V124 WeakPolarHBondContact O-CG2 3.39Å; V120-V124 PolarHBondContact O-N 3.11Å; L121-V124 PolarHBondContact O-N 3.46Å; V124-G126 VanDerWaalsContact C-N 3.32Å; V124-G126 PolarHBondContact O-N 3.47Å; V124-L127 PolarHBondContact O-N 2.85Å; V124-S128 WeakPolarHBondContact O-CB 3.4Å; V124-S128 PolarHBondContact O-N 2.82Å; V124-S128 PolarHBondContact O-OG 2.94Å
125	I	94.9	Very high	91.1	Very high	101 Å²	101	100.3 Å²	100.3	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-41	176.6	-69.2	168	0	0	0	111	L121 G129	L121-I125 HydrophobicContact CD2-CD1 4.28Å; L121-I125 HydrophobicContact CG-CD1 3.91Å; L121-I125 WeakPolarHBondContact O-CB 3.35Å; L121-I125 VanDerWaalsContact O-CG1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.31Å; L121-I125 PolarHBondContact O-N 2.85Å; I125-G129 PolarHBondContact O-N 2.91Å
126	G	94.5	Very high	91.2	Very high	43 Å²	43	99.5 Å²	99.5	44%	0.443	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-43.4	176.5	0	0	0	0	0	113	F122 V123 V124 G129 A130	F122-G126 PolarHBondContact O-N 2.96Å; V123-G126 PolarHBondContact O-N 3.45Å; V124-G126 VanDerWaalsContact C-N 3.32Å; V124-G126 PolarHBondContact O-N 3.47Å; G126-G129 PolarHBondContact O-N 2.85Å; G126-A130 VanDerWaalsContact O-CB 3.27Å; G126-A130 WeakPolarHBondContact O-CB 3.32Å; G126-A130 PolarHBondContact O-N 2.98Å
127	L	95.3	Very high	91.1	Very high	116 Å²	116	98.8 Å²	98.8	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-68.1	-43.2	176.3	-73	170.5	0	0	0	112	V123 V124 A130 W131	V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.4Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 2.93Å; V124-L127 PolarHBondContact O-N 2.85Å; L127-A130 PolarHBondContact O-N 2.89Å; L127-W131 VanDerWaalsContact O-CB 3.27Å; L127-W131 WeakPolarHBondContact O-CB 3.16Å; L127-W131 PolarHBondContact O-N 3.02Å
128	S	92.2	Very high	90.9	Very high	71 Å²	71	97.4 Å²	97.4	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.6	-64.6	0	0	0	0	112.1	V124 W132	V124-S128 WeakPolarHBondContact O-CB 3.4Å; V124-S128 PolarHBondContact O-N 2.82Å; V124-S128 PolarHBondContact O-OG 2.94Å; S128-W132 VanDerWaalsContact O-CB 3.26Å; S128-W132 WeakPolarHBondContact O-CB 3.31Å; S128-W132 PolarHBondContact O-N 3.17Å
129	G	93.6	Very high	90.3	Very high	38 Å²	38	95.3 Å²	95.3	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-68	-40.1	175.2	0	0	0	0	0	113	I125 G126 W133	I125-G129 PolarHBondContact O-N 2.91Å; G126-G129 PolarHBondContact O-N 2.85Å; G129-W133 VanDerWaalsContact O-CB 3.31Å; G129-W133 WeakPolarHBondContact O-CB 3.43Å; G129-W133 PolarHBondContact O-N 3.2Å
130	A	92.4	Very high	89.5	Confident	51 Å²	51	95 Å²	95	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-43.8	174.7	0	0	0	0	0	111.9	G126 L127 W133 Q134	G126-A130 VanDerWaalsContact O-CB 3.27Å; G126-A130 WeakPolarHBondContact O-CB 3.32Å; G126-A130 PolarHBondContact O-N 2.98Å; L127-A130 PolarHBondContact O-N 2.89Å; A130-W133 PolarHBondContact O-N 2.79Å; A130-Q134 VanDerWaalsContact O-CB 3.31Å; A130-Q134 WeakPolarHBondContact O-CB 3.49Å; A130-Q134 PolarHBondContact O-N 2.92Å
131	W	89	Confident	88.8	Confident	176 Å²	176	97.6 Å²	97.6	67%	0.667	50%	0.498	S	S	*	.	H	α-helix	trans	-61.9	-47.5	175.6	-177.5	76.9	0	0	0	111.4	L127 W133 Q134 D135	L127-W131 VanDerWaalsContact O-CB 3.27Å; L127-W131 WeakPolarHBondContact O-CB 3.16Å; L127-W131 PolarHBondContact O-N 3.02Å; W131-W133 PolarHBondContact O-N 3.12Å; W131-Q134 PolarHBondContact O-N 3.07Å; W131-D135 WeakPolarHBondContact O-CB 3.24Å; W131-D135 PolarHBondContact O-N 2.99Å
132	W	89.1	Confident	87.9	Confident	154 Å²	154	99.7 Å²	99.7	58%	0.583	51%	0.506	S	S	*	.	H	α-helix	trans	-62.7	-39.6	175.8	-176.9	79.9	0	0	0	112.6	S128 H136	S128-W132 VanDerWaalsContact O-CB 3.26Å; S128-W132 WeakPolarHBondContact O-CB 3.31Å; S128-W132 PolarHBondContact O-N 3.17Å; W132-H136 AromaticContact CH2-CD2 3.62Å; W132-H136 AromaticContact CZ2-CD2 3.54Å; W132-H136 WeakPolarHBondContact O-CB 3.36Å; W132-H136 PolarHBondContact O-N 2.8Å
133	W	87.8	Confident	86.8	Confident	172 Å²	172	98.7 Å²	98.7	65%	0.652	51%	0.505	S	S	*	.	H	α-helix	trans	-68.4	-34.6	176	-175.3	44.3	0	0	0	112.5	G129 A130 W131 K137	G129-W133 VanDerWaalsContact O-CB 3.31Å; G129-W133 WeakPolarHBondContact O-CB 3.43Å; G129-W133 PolarHBondContact O-N 3.2Å; A130-W133 PolarHBondContact O-N 2.79Å; W131-W133 PolarHBondContact O-N 3.12Å; W133-K137 WeakPolarHBondContact O-CB 3.47Å; W133-K137 PolarHBondContact O-N 2.9Å
134	Q	87.8	Confident	85.8	Confident	143 Å²	143	98.7 Å²	98.7	67%	0.668	51%	0.505	S	S	*	.	H	α-helix	trans	-71.3	-41.6	176.4	-170.1	169.9	1.4	0	0	111.8	A130 W131 K137 A138	A130-Q134 VanDerWaalsContact O-CB 3.31Å; A130-Q134 WeakPolarHBondContact O-CB 3.49Å; A130-Q134 PolarHBondContact O-N 2.92Å; W131-Q134 PolarHBondContact O-N 3.07Å; Q134-K137 WeakPolarHBondContact O-CB 3.35Å; Q134-K137 PolarHBondContact O-N 3.23Å; Q134-A138 PolarHBondContact O-N 2.81Å
135	D	85.2	Confident	85	Confident	64 Å²	64	98.7 Å²	98.7	34%	0.342	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-47.1	173.2	-171.5	68.7	0	0	0	111.5	W131 K137 A138 Q139	W131-D135 WeakPolarHBondContact O-CB 3.24Å; W131-D135 PolarHBondContact O-N 2.99Å; D135-K137 PolarHBondContact O-N 3.01Å; D135-A138 WeakPolarHBondContact O-CB 3.31Å; D135-A138 PolarHBondContact O-N 3.38Å; D135-A138 VanDerWaalsContact O-N 3.11Å; D135-Q139 PolarHBondContact O-N 3.46Å; D135-Q139 PolarHBondContact OD2-NE2 2.85Å
136	H	82.8	Confident	83.8	Confident	69 Å²	69	99.7 Å²	99.7	32%	0.319	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-26.1	175.2	-165.6	-46.6	0	0	0	112.4	W132 Q140	W132-H136 AromaticContact CH2-CD2 3.62Å; W132-H136 AromaticContact CZ2-CD2 3.54Å; W132-H136 WeakPolarHBondContact O-CB 3.36Å; W132-H136 PolarHBondContact O-N 2.8Å; H136-Q140 WeakPolarHBondContact O-CG 3.39Å; H136-Q140 PolarHBondContact O-N 3.15Å; H136-Q140 VanDerWaalsContact O-N 3.12Å
137	K	85.3	Confident	82.6	Confident	100 Å²	100	99.8 Å²	99.8	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-72.2	-44.7	169.7	-111.6	-165.6	161.9	-123.9	0	112.1	W133 Q134 D135 Q139 Q140 E141	W133-K137 WeakPolarHBondContact O-CB 3.47Å; W133-K137 PolarHBondContact O-N 2.9Å; Q134-K137 WeakPolarHBondContact O-CB 3.35Å; Q134-K137 PolarHBondContact O-N 3.23Å; D135-K137 PolarHBondContact O-N 3.01Å; K137-Q139 VanDerWaalsContact C-N 3.33Å; K137-Q139 PolarHBondContact O-N 2.81Å; K137-Q140 PolarHBondContact O-N 2.92Å; K137-Q140 VanDerWaalsContact O-N 3.09Å; K137-E141 PolarHBondContact O-N 3.26Å
138	A	82.8	Confident	81.5	Confident	51 Å²	51	99.2 Å²	99.2	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-45.3	176	0	0	0	0	0	110.9	Q134 D135 Q140 E141 E142	Q134-A138 PolarHBondContact O-N 2.81Å; D135-A138 WeakPolarHBondContact O-CB 3.31Å; D135-A138 PolarHBondContact O-N 3.38Å; D135-A138 VanDerWaalsContact O-N 3.11Å; A138-Q140 VanDerWaalsContact C-N 3.31Å; A138-Q140 PolarHBondContact O-N 3.15Å; A138-E141 PolarHBondContact O-N 2.98Å; A138-E141 VanDerWaalsContact O-N 3.15Å; A138-E142 PolarHBondContact O-N 2.75Å
139	Q	77.7	Confident	80.3	Confident	94 Å²	94	102.1 Å²	102.1	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-34	173.4	-70	-176.6	9.5	0	0	113	D135 K137 I143	D135-Q139 PolarHBondContact O-N 3.46Å; D135-Q139 PolarHBondContact OD2-NE2 2.85Å; K137-Q139 VanDerWaalsContact C-N 3.33Å; K137-Q139 PolarHBondContact O-N 2.81Å; Q139-I143 VanDerWaalsContact O-CB 3.3Å; Q139-I143 WeakPolarHBondContact O-CB 3.37Å; Q139-I143 WeakPolarHBondContact O-CD1 3.28Å; Q139-I143 WeakPolarHBondContact O-CG1 3.39Å; Q139-I143 PolarHBondContact O-N 2.81Å
140	Q	77.3	Confident	78.9	Confident	106 Å²	106	103.1 Å²	103.1	50%	0.495	51%	0.511	S	S	.	.	H	α-helix	trans	-70.8	-34.6	173.5	-82.4	-175.9	-25.9	0	0	112.8	H136 K137 A138 T144	H136-Q140 WeakPolarHBondContact O-CG 3.39Å; H136-Q140 PolarHBondContact O-N 3.15Å; H136-Q140 VanDerWaalsContact O-N 3.12Å; K137-Q140 PolarHBondContact O-N 2.92Å; K137-Q140 VanDerWaalsContact O-N 3.09Å; A138-Q140 VanDerWaalsContact C-N 3.31Å; A138-Q140 PolarHBondContact O-N 3.15Å; Q140-T144 VanDerWaalsContact O-CB 3.25Å; Q140-T144 WeakPolarHBondContact O-CB 3.14Å; Q140-T144 PolarHBondContact O-N 3.39Å; Q140-T144 PolarHBondContact O-OG1 2.81Å
141	E	78.1	Confident	77.5	Confident	126 Å²	126	103.9 Å²	103.9	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-72	-37.5	173.6	-73.6	177.2	170.5	0	0	111.5	K137 A138 T144 T145	K137-E141 PolarHBondContact O-N 3.26Å; A138-E141 PolarHBondContact O-N 2.98Å; A138-E141 VanDerWaalsContact O-N 3.15Å; E141-T144 PolarHBondContact O-N 3.23Å; E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 WeakPolarHBondContact O-CG2 3.49Å; E141-T145 PolarHBondContact O-N 3.29Å; E141-T145 PolarHBondContact O-OG1 3.38Å
142	E	74.1	Confident	76.2	Confident	130 Å²	130	98.4 Å²	98.4	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-62.6	-50.2	169.9	-103.8	-177.3	167.6	0	0	112.3	A138 T144 T145 M146	A138-E142 PolarHBondContact O-N 2.75Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 2.97Å; E142-T145 WeakPolarHBondContact CA-OG1 3.41Å; E142-T145 PolarHBondContact O-N 3.45Å; E142-T145 PolarHBondContact O-OG1 2.74Å; E142-T145 VanDerWaalsContact O-OG1 3.11Å; E142-M146 WeakPolarHBondContact O-CB 3.17Å; E142-M146 VanDerWaalsContact O-CG 3.32Å; E142-M146 WeakPolarHBondContact O-CG 3.34Å; E142-M146 PolarHBondContact O-N 2.97Å
143	I	71.8	Confident	74.7	Confident	114 Å²	114	97.4 Å²	97.4	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-61.9	-38.1	178	-70.7	165	0	0	0	110.9	Q139 A147	Q139-I143 VanDerWaalsContact O-CB 3.3Å; Q139-I143 WeakPolarHBondContact O-CB 3.37Å; Q139-I143 WeakPolarHBondContact O-CD1 3.28Å; Q139-I143 WeakPolarHBondContact O-CG1 3.39Å; Q139-I143 PolarHBondContact O-N 2.81Å; I143-A147 WeakPolarHBondContact O-CB 3.42Å; I143-A147 PolarHBondContact O-N 3.13Å
144	T	75.5	Confident	73.2	Confident	76 Å²	76	95.2 Å²	95.2	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-69.3	-45	178.3	-53.8	0	0	0	0	111.4	Q140 E141 E142 A147 D148	Q140-T144 VanDerWaalsContact O-CB 3.25Å; Q140-T144 WeakPolarHBondContact O-CB 3.14Å; Q140-T144 PolarHBondContact O-N 3.39Å; Q140-T144 PolarHBondContact O-OG1 2.81Å; E141-T144 PolarHBondContact O-N 3.23Å; E142-T144 VanDerWaalsContact C-N 3.28Å; E142-T144 PolarHBondContact O-N 2.97Å; T144-A147 CarbonylContact O-C 3.59Å; T144-A147 WeakPolarHBondContact O-CB 3.32Å; T144-A147 PolarHBondContact O-N 3.25Å; T144-A147 VanDerWaalsContact O-N 3.17Å; T144-D148 PolarHBondContact O-N 3.21Å
145	T	77.4	Confident	71.7	Confident	77 Å²	77	92.6 Å²	92.6	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-35.4	178	48.6	0	0	0	0	112.6	E141 E142 D148 Q149	E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 WeakPolarHBondContact O-CG2 3.49Å; E141-T145 PolarHBondContact O-N 3.29Å; E141-T145 PolarHBondContact O-OG1 3.38Å; E142-T145 WeakPolarHBondContact CA-OG1 3.41Å; E142-T145 PolarHBondContact O-N 3.45Å; E142-T145 PolarHBondContact O-OG1 2.74Å; E142-T145 VanDerWaalsContact O-OG1 3.11Å; T145-D148 PolarHBondContact O-N 2.88Å; T145-Q149 WeakPolarHBondContact O-CB 3.26Å; T145-Q149 WeakPolarHBondContact O-CG 3.39Å; T145-Q149 PolarHBondContact O-N 2.88Å
146	M	70.2	Confident	70.2	Confident	122 Å²	122	93.8 Å²	93.8	60%	0.601	52%	0.518	S	S	*	.	H	α-helix	trans	-66.9	-36.2	169.1	-69.9	-168.8	82.5	0	0	112.2	E142 S150	E142-M146 WeakPolarHBondContact O-CB 3.17Å; E142-M146 VanDerWaalsContact O-CG 3.32Å; E142-M146 WeakPolarHBondContact O-CG 3.34Å; E142-M146 PolarHBondContact O-N 2.97Å; M146-S150 VanDerWaalsContact O-CB 3.3Å; M146-S150 WeakPolarHBondContact O-CB 3.44Å; M146-S150 PolarHBondContact O-N 3.07Å; M146-S150 PolarHBondContact O-OG 2.66Å
147	A	70.1	Confident	68.8	Low	46 Å²	46	96.6 Å²	96.6	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-68.9	-38	175	0	0	0	0	0	112.4	I143 T144 S150 S151	I143-A147 WeakPolarHBondContact O-CB 3.42Å; I143-A147 PolarHBondContact O-N 3.13Å; T144-A147 CarbonylContact O-C 3.59Å; T144-A147 WeakPolarHBondContact O-CB 3.32Å; T144-A147 PolarHBondContact O-N 3.25Å; T144-A147 VanDerWaalsContact O-N 3.17Å; A147-S150 PolarHBondContact O-N 3.17Å; A147-S151 VanDerWaalsContact O-CB 3.24Å; A147-S151 WeakPolarHBondContact O-CB 3.15Å; A147-S151 PolarHBondContact O-N 3.21Å; A147-S151 PolarHBondContact O-OG 3.46Å
148	D	70.5	Confident	66.8	Low	103 Å²	103	96.2 Å²	96.2	55%	0.551	55%	0.546	S	S	*	.	H	α-helix	trans	-68.2	-41.1	174.2	-77.5	-27.4	0	0	0	111.3	T144 T145 S151 A152	T144-D148 PolarHBondContact O-N 3.21Å; T145-D148 PolarHBondContact O-N 2.88Å; D148-S151 PolarHBondContact O-N 2.71Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 3.43Å
149	Q	67.7	Low	64.8	Low	132 Å²	132	102.9 Å²	102.9	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-61.7	-47.4	171.4	-75.5	179.8	-4.4	0	0	111.6	T145 S151 A152 E153	T145-Q149 WeakPolarHBondContact O-CB 3.26Å; T145-Q149 WeakPolarHBondContact O-CG 3.39Å; T145-Q149 PolarHBondContact O-N 2.88Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 3.31Å; Q149-A152 PolarHBondContact O-N 2.95Å; Q149-E153 PolarHBondContact O-N 2.8Å
150	S	63.7	Low	63.1	Low	60 Å²	60	107.6 Å²	107.6	42%	0.42	59%	0.59	S	S	.	*	H	α-helix	trans	-59.4	-38.8	175.5	-57.3	0	0	0	0	111.7	M146 A147 E153 L154	M146-S150 VanDerWaalsContact O-CB 3.3Å; M146-S150 WeakPolarHBondContact O-CB 3.44Å; M146-S150 PolarHBondContact O-N 3.07Å; M146-S150 PolarHBondContact O-OG 2.66Å; A147-S150 PolarHBondContact O-N 3.17Å; S150-E153 PolarHBondContact O-N 3.27Å; S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 WeakPolarHBondContact O-CD1 3.18Å; S150-L154 PolarHBondContact O-N 3.4Å
151	S	64.1	Low	60.9	Low	67 Å²	67	106 Å²	106	47%	0.469	60%	0.602	S	S	.	*	H	α-helix	trans	-71.2	-35.6	178.8	-60.8	0	0	0	0	112.3	A147 D148 Q149 S155	A147-S151 VanDerWaalsContact O-CB 3.24Å; A147-S151 WeakPolarHBondContact O-CB 3.15Å; A147-S151 PolarHBondContact O-N 3.21Å; A147-S151 PolarHBondContact O-OG 3.46Å; D148-S151 PolarHBondContact O-N 2.71Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 3.31Å; S151-S155 VanDerWaalsContact O-CB 3.26Å; S151-S155 WeakPolarHBondContact O-CB 3.35Å; S151-S155 PolarHBondContact O-N 2.89Å; S151-S155 PolarHBondContact O-OG 2.93Å
152	A	61.9	Low	58.9	Low	61 Å²	61	109.7 Å²	109.7	50%	0.504	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-44.5	171.3	0	0	0	0	0	111.4	D148 Q149 S155 S156	D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 3.43Å; Q149-A152 PolarHBondContact O-N 2.95Å; A152-S155 WeakPolarHBondContact O-CB 3.41Å; A152-S155 PolarHBondContact O-N 2.92Å; A152-S156 PolarHBondContact O-N 2.98Å
153	E	57.7	Low	57.1	Low	133 Å²	133	108.9 Å²	108.9	62%	0.621	63%	0.628	S	S	*	*	H	α-helix	trans	-66	-42.7	176.8	-70.4	-165.9	141.1	0	0	112.2	Q149 S150 S155 S156 N157	Q149-E153 PolarHBondContact O-N 2.8Å; S150-E153 PolarHBondContact O-N 3.27Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.16Å; E153-S156 PolarHBondContact O-N 3.36Å; E153-S156 PolarHBondContact O-OG 2.84Å; E153-N157 PolarHBondContact O-N 3.42Å
154	L	54.9	Low	55.9	Low	126 Å²	126	110.2 Å²	110.2	66%	0.66	64%	0.641	S	S	*	*	H	α-helix	trans	-63.9	-37.1	173.1	-93.8	82.7	0	0	0	112.4	S150 S156 N157 S158	S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 WeakPolarHBondContact O-CD1 3.18Å; S150-L154 PolarHBondContact O-N 3.4Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.49Å; L154-N157 PolarHBondContact O-N 2.93Å; L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 2.99Å
155	S	57.5	Low	54.5	Low	88 Å²	88	111.5 Å²	111.5	62%	0.615	65%	0.651	S	S	*	*	H	α-helix	trans	-62.6	-36.3	174.8	-61.8	0	0	0	0	111.6	S151 A152 E153	S151-S155 VanDerWaalsContact O-CB 3.26Å; S151-S155 WeakPolarHBondContact O-CB 3.35Å; S151-S155 PolarHBondContact O-N 2.89Å; S151-S155 PolarHBondContact O-OG 2.93Å; A152-S155 WeakPolarHBondContact O-CB 3.41Å; A152-S155 PolarHBondContact O-N 2.92Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.16Å
156	S	53.9	Low	52.7	Low	88 Å²	88	114.9 Å²	114.9	62%	0.615	67%	0.665	S	S	*	*	H	α-helix	trans	-74.7	-25.6	175.3	71.5	0	0	0	0	114.6	A152 E153 L154	A152-S156 PolarHBondContact O-N 2.98Å; E153-S156 PolarHBondContact O-N 3.36Å; E153-S156 PolarHBondContact O-OG 2.84Å; L154-S156 VanDerWaalsContact C-N 3.27Å; L154-S156 PolarHBondContact O-N 3.49Å
157	N	52.9	Low	51.3	Low	128 Å²	128	114.9 Å²	114.9	68%	0.684	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	7.9	178.3	-90.5	-32.1	0	0	0	114.5	E153 L154 E159	E153-N157 PolarHBondContact O-N 3.42Å; L154-N157 PolarHBondContact O-N 2.93Å; N157-E159 VanDerWaalsContact C-N 3.25Å; N157-E159 PolarHBondContact O-N 3.13Å; N157-E159 VanDerWaalsContact O-N 3.15Å
158	S	43.5	Very low	49.8	Very low	93 Å²	93	118.1 Å²	118.1	65%	0.65	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	1.6	-171.1	-70.4	0	0	0	0	116	L154	L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 2.99Å
159	E	40.9	Very low	48.5	Very low	190 Å²	190	118 Å²	118	89%	0.888	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-3.9	-175.7	-67.2	-159.5	125.1	0	0	115.8	N157	N157-E159 VanDerWaalsContact C-N 3.25Å; N157-E159 PolarHBondContact O-N 3.13Å; N157-E159 VanDerWaalsContact O-N 3.15Å
160	Q	40.9	Very low	47.2	Very low	194 Å²	194	117.2 Å²	117.2	91%	0.907	70%	0.695	S	S	*	*			trans	-126.2	91.3	177.8	-66.5	-169.1	8	0	0	112.2
161	G	32.7	Very low	46	Very low	72 Å²	72	121 Å²	121	74%	0.742	72%	0.716	S	S	*	*			trans	-106.6	144.4	176.5	0	0	0	0	0	113.5
162	Q	35.1	Very low	45	Very low	204 Å²	204	123 Å²	123	95%	0.953	73%	0.725	S	S	*	*			trans	-153.4	132.5	145.2	-118.9	173.3	10.8	0	0	111.3
163	S	36.9	Very low	44.1	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	74%	0.737	S	S	*	*			trans	-113.7	151.2	172.8	56.3	0	0	0	0	109.6
164	V	45.7	Very low	43.7	Very low	141 Å²	141	125.8 Å²	125.8	86%	0.855	74%	0.742	S	S	*	*			trans	-170.6	149.9	146.2	132.2	0	0	0	0	110.1
165	P	45.9	Very low	43.1	Very low	104 Å²	104	124 Å²	124	68%	0.675	75%	0.745	S	S	*	*			trans	-124.9	-171.2	-173.5	37.2	-18.6	0	0	0	114.9
166	L	39.6	Very low	42.3	Very low	147 Å²	147	126 Å²	126	77%	0.77	75%	0.754	S	S	*	*			trans	96.4	151	139.1	-139.9	71	0	0	0	120.9
167	N	41.9	Very low	41.6	Very low	123 Å²	123	127.8 Å²	127.8	66%	0.658	76%	0.761	S	S	*	*			trans	104.8	116.9	139.2	-93.1	-11.6	0	0	0	123.1
168	T	39.2	Very low	41.2	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	77%	0.769	S	S	*	*			trans	50.1	145.4	133.6	52.5	0	0	0	0	121.2
169	S	41.2	Very low	41.2	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	78%	0.777	S	S	*	*				-164.3	135.6	55.2	-57.4	0	0	0	0	116.2
170	T	40.4	Very low	41.8	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	77%	0.769	S	S	*	*				41.4	130.6	126.8	-31.5	0	0	0	0	123.2
171	T	40	Very low	42.2	Very low	140 Å²	140	122.1 Å²	122.1	86%	0.859	76%	0.763	S	S	*	*				-153.8	146.5	128.3	-66.3	0	0	0	0	109.5
172	T	42.4	Very low	42.7	Very low	107 Å²	107	123.8 Å²	123.8	66%	0.656	77%	0.77	S	S	*	*			trans	-89.9	-177.2	-174.1	40	0	0	0	0	113.4
173	D	42.4	Very low	42.8	Very low	143 Å²	143	119.6 Å²	119.6	77%	0.765	76%	0.763	S	S	*	*			cis	-150.6	175.2	28.1	-99.5	-57.1	0	0	0	114.1
174	P	50.8	Low	43.3	Very low	111 Å²	111	121.2 Å²	121.2	72%	0.721	77%	0.767	S	S	*	*			trans	-125.2	-171	-156.4	46.5	-37.4	0	0	0	118.6
175	A	41.7	Very low	43	Very low	89 Å²	89	121 Å²	121	74%	0.736	76%	0.762	S	S	*	*			trans	77.6	147.7	165	0	0	0	0	0	117.2
176	T	40.5	Very low	43	Very low	130 Å²	130	123.1 Å²	123.1	80%	0.798	77%	0.773	S	S	*	*			cis	-151	133	38.4	-57.2	0	0	0	0	116.2
177	T	39.4	Very low	43	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	77%	0.771	S	S	*	*			trans	-7.3	134.7	151.5	-41.6	0	0	0	0	122.6
178	S	45.4	Very low	43	Very low	121 Å²	121	120.1 Å²	120.1	85%	0.846	78%	0.775	S	S	*	*			trans	-170.8	165.2	131.8	43.9	0	0	0	0	112.2
179	T	41.8	Very low	43	Very low	133 Å²	133	121.2 Å²	121.2	82%	0.816	78%	0.781	S	S	*	*			trans	-123.1	162.5	-157.9	24.9	0	0	0	0	116.5
180	P	53.6	Low	42.9	Very low	111 Å²	111	123.1 Å²	123.1	72%	0.721	78%	0.784	S	S	*	*			trans	-96.7	-157	174.8	45	-38.9	0	0	0	110.6
181	P	50.6	Low	42.8	Very low	121 Å²	121	124 Å²	124	79%	0.786	79%	0.789	S	S	*	*			cis	-133.6	-178.9	-10.4	43	-27.1	0	0	0	114.9
182	A	42	Very low	42.8	Very low	107 Å²	107	125.3 Å²	125.3	88%	0.884	79%	0.785	S	S	*	*			trans	-167.6	161.5	152.5	0	0	0	0	0	112.8
183	S	38.6	Very low	42.8	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	79%	0.786	S	S	*	*			trans	-136.8	145.6	-179.2	54.8	0	0	0	0	112.2
184	V	45.6	Very low	42.8	Very low	147 Å²	147	124.3 Å²	124.3	89%	0.891	79%	0.786	S	S	*	*			trans	-146.2	140.2	168.7	-171.4	0	0	0	0	110.7
185	D	40.2	Very low	42.1	Very low	137 Å²	137	123.1 Å²	123.1	73%	0.733	79%	0.786	S	S	*	*			trans	-79.9	159.9	177.4	-61.9	-83.9	0	0	0	115.1
186	T	46.2	Very low	42.2	Very low	149 Å²	149	126 Å²	126	91%	0.914	79%	0.794	S	S	*	*			trans	-143.4	144.8	137.9	-44.5	0	0	0	0	109.6
187	T	39.2	Very low	42.2	Very low	117 Å²	117	125.5 Å²	125.5	72%	0.718	79%	0.791	S	S	*	*			trans	-135.3	160.9	-165.5	-38.3	0	0	0	0	113.4
188	A	42.2	Very low	42	Very low	90 Å²	90	124 Å²	124	74%	0.744	79%	0.791	S	S	*	*			trans	75.2	159.3	165.5	0	0	0	0	0	116.5
189	T	38.4	Very low	41.9	Very low	135 Å²	135	124.3 Å²	124.3	83%	0.828	79%	0.791	S	S	*	*			cis	-144.5	157.6	18.8	-53.1	0	0	0	0	113.4
190	N	39.5	Very low	41.5	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	79%	0.788	S	S	*	*			trans	-77.9	159.1	177.3	-64.7	-54.3	0	0	0	115.4
191	T	39.1	Very low	41.3	Very low	135 Å²	135	122.9 Å²	122.9	83%	0.828	79%	0.791	S	S	*	*			trans	-177.3	130.3	144	-72.1	0	0	0	0	106.9
192	Q	40.4	Very low	40.7	Very low	166 Å²	166	121.3 Å²	121.3	78%	0.776	79%	0.789	S	S	*	*			cis	104.8	127.4	23.4	-75.7	-144.8	41.1	0	0	114.4
193	T	41.2	Very low	40.4	Very low	110 Å²	110	123 Å²	123	68%	0.675	79%	0.787	S	S	*	*			cis	-142.9	-73.3	-7.9	-71.9	0	0	0	0	116.8
194	P	43.4	Very low	40.3	Very low	119 Å²	119	124.6 Å²	124.6	77%	0.773	79%	0.787	S	S	*	*			trans	-125	168.9	-147.3	34	-16.7	0	0	0	121.2
195	A	36.3	Very low	40	Very low	86 Å²	86	122.3 Å²	122.3	71%	0.711	78%	0.775	S	S	*	*			trans	-64.2	176.3	175	0	0	0	0	0	118.2
196	V	43.6	Very low	39.9	Very low	150 Å²	150	124.3 Å²	124.3	91%	0.909	78%	0.78	S	S	*	*			trans	-129.1	148.8	165.4	177.9	0	0	0	0	109.3
197	T	39.2	Very low	39.4	Very low	120 Å²	120	125.1 Å²	125.1	74%	0.736	77%	0.774	S	S	*	*			trans	-140.5	124.9	-156.8	-60.1	0	0	0	0	114.6
198	A	36.6	Very low	39.2	Very low	92 Å²	92	127.4 Å²	127.4	76%	0.76	78%	0.781	S	S	*	*			trans	60.2	-172.3	155.2	0	0	0	0	0	116.2
199	P	43	Very low	38.8	Very low	129 Å²	129	127.3 Å²	127.3	84%	0.838	78%	0.781	S	S	*	*			cis	-130.7	-165.8	-7.1	43.1	-25.8	0	0	0	114.9
200	A	33.2	Very low	38.7	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	78%	0.782	S	S	*	*			trans	-139.3	155	174.3	0	0	0	0	0	112.3
201	P	48.9	Very low	38.7	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	78%	0.784	S	S	*	*			trans	-104.3	141.5	163	5.7	16.4	0	0	0	112
202	A	38.2	Very low	38.5	Very low	89 Å²	89	125.9 Å²	125.9	74%	0.736	78%	0.781	S	S	*	*				60.4	110.3	86.5	0	0	0	0	0	113.6
203	V	35.5	Very low	38.6	Very low	141 Å²	141	123.8 Å²	123.8	86%	0.855	78%	0.782	S	S	*	*			cis	90.8	108.9	43.1	175	0	0	0	0	113.5
204	D	37.5	Very low	38.5	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	78%	0.782	S	S	*	*			trans	-160	139.5	144.1	-157.9	2	0	0	0	110.9
205	P	37.7	Very low	38.2	Very low	99 Å²	99	127 Å²	127	64%	0.643	79%	0.79	S	S	*	*			trans	-139.8	132.7	177.9	38.1	-19.7	0	0	0	117
206	Q	38.4	Very low	38.2	Very low	179 Å²	179	127.8 Å²	127.8	84%	0.836	80%	0.796	S	S	*	*			trans	-142.4	179.7	164.5	-66.3	-171.2	13.3	0	0	111
207	Q	35.2	Very low	37.7	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	79%	0.791	S	S	*	*				-160.9	139.5	-82.6	-109	176.5	-27.4	0	0	109.3
208	N	36	Very low	37.8	Very low	165 Å²	165	129.3 Å²	129.3	88%	0.882	80%	0.8	S	S	*	*			trans	151.3	128.4	159.7	-81.6	-22	0	0	0	109.6
209	A	34.5	Very low	37.7	Very low	89 Å²	89	131.5 Å²	131.5	74%	0.736	80%	0.798	S	S	*	*			cis	117.6	79.2	-4.9	0	0	0	0	0	116.7
210	V	35.8	Very low	37.5	Very low	141 Å²	141	132.2 Å²	132.2	86%	0.855	80%	0.801	S	S	*	*			trans	-148.8	113.9	158.2	-175.4	0	0	0	0	104.7
211	V	39	Very low	37.5	Very low	132 Å²	132	132.3 Å²	132.3	80%	0.8	80%	0.802	S	S	*	*				101	133.9	50.2	168.9	0	0	0	0	112.3
212	S	35	Very low	37	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	80%	0.804	S	S	*	*			trans	-142.9	161.2	179.2	-44.5	0	0	0	0	109.1
213	P	41.9	Very low	36.8	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	81%	0.809	S	S	*	*				-144.8	-156.3	102.8	41.6	-25	0	0	0	110.4
214	S	40.4	Very low	37.2	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	81%	0.806	S	S	*	*			cis	-156.6	140.6	-9.1	22.9	0	0	0	0	105.9
215	Q	36.4	Very low	37.1	Very low	198 Å²	198	130.4 Å²	130.4	93%	0.925	81%	0.807	S	S	*	*				61	112.5	70.6	-81	-165.2	-19.3	0	0	117.6
216	A	36.3	Very low	37.3	Very low	102 Å²	102	130.8 Å²	130.8	84%	0.843	81%	0.812	S	S	*	*			trans	-162.2	143.7	148.4	0	0	0	0	0	110.4
217	N	33.7	Very low	37.4	Very low	152 Å²	152	128.7 Å²	128.7	81%	0.813	81%	0.812	S	S	*	*			trans	-112.4	156.3	172.1	-83.3	28.7	0	0	0	110.2
218	V	40.8	Very low	37.4	Very low	150 Å²	150	125.3 Å²	125.3	91%	0.909	81%	0.812	S	S	*	*			trans	-151.1	146.8	150.1	-124.8	0	0	0	0	111.5
219	D	34.7	Very low	37.7	Very low	138 Å²	138	122.2 Å²	122.2	74%	0.738	81%	0.809	S	S	*	*			trans	-109.7	174.4	177.8	-62.4	-80.7	0	0	0	111.9
220	T	37.8	Very low	37.8	Very low	145 Å²	145	124.3 Å²	124.3	89%	0.89	81%	0.813	S	S	*	*			trans	124.9	139	144.6	-48.3	0	0	0	0	116.8
221	A	34.5	Very low	38	Very low	95 Å²	95	124.1 Å²	124.1	79%	0.785	81%	0.812	S	S	*	*			trans	-81.8	167.6	-168.2	0	0	0	0	0	117.2
222	A	38.5	Very low	38.1	Very low	99 Å²	99	122.5 Å²	122.5	82%	0.818	81%	0.805	S	S	*	*			trans	-162.1	149.8	143.2	0	0	0	0	0	113.6
223	T	33.1	Very low	38.3	Very low	137 Å²	137	125.1 Å²	125.1	84%	0.84	81%	0.81	S	S	*	*			trans	-127.8	174.1	161.9	-1.3	0	0	0	0	106.8
224	P	44.5	Very low	38.1	Very low	124 Å²	124	123.3 Å²	123.3	81%	0.805	81%	0.813	S	S	*	*			cis	-151.9	-162.2	44.3	44.3	-20.5	0	0	0	117.5
225	A	36.1	Very low	38	Very low	99 Å²	99	123.9 Å²	123.9	82%	0.818	82%	0.824	S	S	*	*			trans	-51.9	167.8	-174.3	0	0	0	0	0	121.3
226	S	41	Very low	38.3	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	82%	0.819	S	S	*	*			trans	-146.5	113.2	152.3	-171.7	0	0	0	0	108.9
227	T	40.3	Very low	38.5	Very low	136 Å²	136	120.4 Å²	120.4	83%	0.834	82%	0.818	S	S	*	*				84.5	139.8	94.3	-37.9	0	0	0	0	114.2
228	A	35.4	Very low	38.3	Very low	94 Å²	94	121.2 Å²	121.2	78%	0.777	82%	0.822	S	S	*	*			trans	-115.1	171.4	-164.8	0	0	0	0	0	114.7
229	A	42.7	Very low	38.7	Very low	100 Å²	100	119.8 Å²	119.8	83%	0.826	82%	0.816	S	S	*	*			trans	-139.9	159.6	168.3	0	0	0	0	0	110.4
230	T	35.8	Very low	38.5	Very low	133 Å²	133	119.5 Å²	119.5	82%	0.816	82%	0.819	S	S	*	*			trans	-142.1	137.5	-161.4	-51.6	0	0	0	0	113.1
231	T	39.5	Very low	38.4	Very low	137 Å²	137	119.4 Å²	119.4	84%	0.84	81%	0.813	S	S	*	*			trans	-146.4	133.2	164.5	-38.3	0	0	0	0	110.1
232	P	41.2	Very low	38.5	Very low	99 Å²	99	123 Å²	123	64%	0.643	81%	0.814	S	S	*	*			trans	-110.3	-177.6	-176.7	41.8	-35.7	0	0	0	115.1
233	D	38.9	Very low	38.1	Very low	164 Å²	164	123.3 Å²	123.3	88%	0.877	82%	0.816	S	S	*	*			trans	72.1	136.6	161	-62.5	-30.1	0	0	0	121
234	G	37.6	Very low	38.2	Very low	83 Å²	83	120 Å²	120	86%	0.856	81%	0.81	S	S	*	*			trans	153.4	72.3	176.8	0	0	0	0	0	114.2
235	A	38.9	Very low	37.7	Very low	110 Å²	110	121.1 Å²	121.1	91%	0.909	81%	0.814	S	S	*	*			trans	-101.1	124.8	-176.9	0	0	0	0	0	113.7
236	A	43.6	Very low	37.5	Very low	99 Å²	99	122.7 Å²	122.7	82%	0.818	81%	0.814	S	S	*	*			trans	-155.1	154	165.2	0	0	0	0	0	110.5
237	P	39	Very low	37.1	Very low	128 Å²	128	123.4 Å²	123.4	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-99.1	169.3	-159.2	37.8	-36.6	0	0	0	116.7
238	L	29.6	Very low	36.8	Very low	170 Å²	170	122.7 Å²	122.7	89%	0.89	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.3	141.6	175.8	-69.5	136.1	0	0	0	114
239	P	49.1	Very low	36.8	Very low	119 Å²	119	125.2 Å²	125.2	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.8	133.6	148.7	34.2	-26.7	0	0	0	110.9
240	T	32.5	Very low	37	Very low	133 Å²	133	124.4 Å²	124.4	82%	0.816	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.8	128.3	164.2	46.6	0	0	0	0	110
241	D	34.8	Very low	38	Very low	142 Å²	142	121.7 Å²	121.7	76%	0.759	79%	0.79	S	S	*	*			trans	-158.3	150.6	148.4	-130.6	-21.4	0	0	0	115.5
242	Q	36.6	Very low	38.7	Very low	171 Å²	171	119.7 Å²	119.7	80%	0.799	78%	0.78	S	S	*	*			trans	41.7	124.4	163.2	-42.2	-161.9	5.9	0	0	121.3
243	A	30.9	Very low	39.6	Very low	106 Å²	106	118.3 Å²	118.3	88%	0.876	77%	0.767	S	S	*	*			trans	-81.3	121.3	175	0	0	0	0	0	112.8
244	G	34.9	Very low	41.3	Very low	68 Å²	68	111 Å²	111	70%	0.701	73%	0.729	S	S	*	*			trans	-91.2	135.6	163.1	0	0	0	0	0	111.2	T246	G244-T246 PolarHBondContact O-N 2.88Å
245	V	32.7	Very low	43.7	Very low	147 Å²	147	107 Å²	107	89%	0.891	69%	0.688	S	S	*	*			trans	-74.7	107.6	-179.6	178.5	0	0	0	0	110.5
246	T	32.7	Very low	46.3	Very low	132 Å²	132	103.2 Å²	103.2	81%	0.81	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-85.6	116.9	169.1	42	0	0	0	0	110.3	G244	G244-T246 PolarHBondContact O-N 2.88Å
247	T	31.9	Very low	48.7	Very low	121 Å²	121	98.5 Å²	98.5	74%	0.742	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.9	167.2	31.2	0	0	0	0	110.1	V249	T247-V249 PolarHBondContact O-N 2.69Å
248	P	33.7	Very low	51.3	Low	121 Å²	121	95.2 Å²	95.2	79%	0.786	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.5	177	27.2	-33.5	0	0	0	110.2	A250	P248-A250 PolarHBondContact O-N 2.87Å
249	V	37.2	Very low	54.5	Low	146 Å²	146	87.3 Å²	87.3	89%	0.885	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-64.3	121.3	176.4	-179.4	0	0	0	0	108.8	T247	T247-V249 PolarHBondContact O-N 2.69Å
250	A	46.2	Very low	56.6	Low	83 Å²	83	84.9 Å²	84.9	69%	0.686	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-69.4	136.9	177.4	0	0	0	0	0	110.8	P248	P248-A250 PolarHBondContact O-N 2.87Å
251	D	56.5	Low	59.5	Low	76 Å²	76	80.5 Å²	80.5	41%	0.406	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-59.8	124	172.8	-178.1	-34.9	0	0	0	109.4	N253 A254 T289	D251-N253 PolarHBondContact O-N 2.79Å; D251-N253 VanDerWaalsContact O-N 3.07Å; D251-N253 PolarHBondContact OD1-N 3.35Å; D251-A254 HydrophobicContact CB-CB 4.3Å; D251-A254 WeakPolarHBondContact O-CB 3.41Å; D251-A254 PolarHBondContact O-N 3.47Å; D251-T289 HydrophobicContact CB-CG2 4.21Å; D251-T289 WeakPolarHBondContact OD2-CG2 3.42Å
252	P	55.4	Low	62.2	Low	96 Å²	96	78 Å²	78	62%	0.623	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12	-175.8	26.9	-35.5	0	0	0	114.1	Q309	P252-Q309 VanDerWaalsContact O-CG 3.24Å; P252-Q309 WeakPolarHBondContact O-CG 3.48Å; P252-Q309 PolarHBondContact O-NE2 2.88Å
253	N	60	Low	64.9	Low	70 Å²	70	69.9 Å²	69.9	37%	0.374	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	9.8	174.3	-72	-39.3	0	0	0	113.7	D251 Y294 Q309	D251-N253 PolarHBondContact O-N 2.79Å; D251-N253 VanDerWaalsContact O-N 3.07Å; D251-N253 PolarHBondContact OD1-N 3.35Å; N253-Y294 PolarHBondContact O-OH 3.09Å; N253-Q309 PolarHBondContact OD1-NE2 3.49Å
254	A	73.3	Confident	67.9	Low	9 Å²	9	70 Å²	70	7%	0.074	44%	0.435	C	S	.	.			trans	-60.5	135.2	178.5	0	0	0	0	0	113.4	D251 V256 Q309	D251-A254 HydrophobicContact CB-CB 4.3Å; D251-A254 WeakPolarHBondContact O-CB 3.41Å; D251-A254 PolarHBondContact O-N 3.47Å; A254-V256 HydrophobicContact CB-CG2 4.4Å; A254-Q309 PolarHBondContact O-N 2.92Å
255	L	88.8	Confident	70.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.1	170.8	174.9	59.7	0	0	0	108.4	M257 V267 L288 Y294 L296 I306 Y308 L329	L255-M257 HydrophobicContact CD1-CE 4.03Å; L255-M257 HydrophobicContact CD2-CE 3.65Å; L255-M257 HydrophobicContact CG-CE 3.69Å; L255-V267 HydrophobicContact CD2-CG1 3.95Å; L255-L288 HydrophobicContact CB-CB 4.36Å; L255-L288 PolarHBondContact N-O 3.14Å; L255-L288 PolarHBondContact O-N 3.15Å; L255-Y294 HydrophobicContact CD2-CD1 4.13Å; L255-Y294 HydrophobicContact CD2-CD2 4.36Å; L255-Y294 HydrophobicContact CD2-CG 3.96Å; L255-L296 HydrophobicContact CD2-CD1 4.17Å; L255-L296 HydrophobicContact CD2-CD2 4.43Å; L255-I306 HydrophobicContact CD1-CG2 3.62Å; L255-Y308 HydrophobicContact CB-CD2 4.13Å; L255-Y308 HydrophobicContact CD1-CD2 4.12Å; L255-Y308 HydrophobicContact CD1-CG 4.49Å; L255-L329 HydrophobicContact CD1-CD1 3.48Å; L255-L329 VanDerWaalsContact CD1-CD1 3.48Å; L255-L329 HydrophobicContact CD2-CD1 4.38Å
256	V	92.4	Very high	73.7	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.188	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.6	-174.7	-176.1	0	0	0	0	110	A254 L286 I306 Q307	A254-V256 HydrophobicContact CB-CG2 4.4Å; V256-L286 CarbonylContact C-O 3.58Å; V256-L286 WeakPolarHBondContact CA-O 3.46Å; V256-I306 CarbonylContact O-C 3.54Å; V256-I306 WeakPolarHBondContact O-CA 3.49Å; V256-Q307 HydrophobicContact CB-CB 4.45Å; V256-Q307 PolarHBondContact N-O 3.43Å; V256-Q307 PolarHBondContact O-N 2.64Å
257	M	94	Very high	76.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.5	178.2	-49.9	-165.6	-171.6	0	0	110.8	L255 F259 L265 V267 N285 L286 L296 V304 Q305 I306	L255-M257 HydrophobicContact CD1-CE 4.03Å; L255-M257 HydrophobicContact CD2-CE 3.65Å; L255-M257 HydrophobicContact CG-CE 3.69Å; M257-F259 HydrophobicContact CB-CE2 3.64Å; M257-F259 HydrophobicContact CB-CZ 3.75Å; M257-F259 HydrophobicContact SD-CZ 4.18Å; M257-L265 HydrophobicContact CE-CD1 4.4Å; M257-L265 HydrophobicContact CE-CD2 4.24Å; M257-L265 HydrophobicContact SD-CD1 4Å; M257-L265 HydrophobicContact SD-CD2 3.55Å; M257-L265 VanDerWaalsContact SD-CD2 3.55Å; M257-L265 HydrophobicContact SD-CG 4.46Å; M257-V267 HydrophobicContact CE-CG2 3.8Å; M257-N285 CarbonylContact O-C 3.48Å; M257-N285 WeakPolarHBondContact O-CA 3.37Å; M257-L286 HydrophobicContact CB-CB 4.41Å; M257-L286 PolarHBondContact N-O 3.36Å; M257-L286 PolarHBondContact O-N 3.1Å; M257-L296 HydrophobicContact CE-CD2 3.61Å; M257-L296 HydrophobicContact CE-CG 4.22Å; M257-V304 HydrophobicContact CB-CG2 3.9Å; M257-Q305 CarbonylContact C-O 3.51Å; M257-Q305 WeakPolarHBondContact CA-O 3.42Å; M257-I306 HydrophobicContact CB-CG1 4.36Å; M257-I306 HydrophobicContact CE-CD1 4.04Å; M257-I306 HydrophobicContact CE-CG2 4.48Å; M257-I306 HydrophobicContact CG-CD1 4.24Å; M257-I306 HydrophobicContact CG-CG1 3.9Å; M257-I306 HydrophobicContact CG-CG2 4.27Å; M257-I306 HydrophobicContact SD-CD1 3.73Å; M257-I306 HydrophobicContact SD-CG1 4.04Å
258	N	94.5	Very high	79.6	Confident	58 Å²	58	49.6 Å²	49.6	31%	0.31	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.9	174.6	-62.5	-68.6	0	0	0	109.6	N285 V304 Q305	N258-N285 PolarHBondContact OD1-ND2 2.99Å; N258-V304 CarbonylContact O-C 3.48Å; N258-V304 WeakPolarHBondContact O-CA 3.43Å; N258-Q305 PolarHBondContact N-O 3.03Å; N258-Q305 PolarHBondContact O-N 3.23Å
259	F	95.8	Very high	82.3	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.7	-171.3	-65.4	-87	0	0	0	112	M257 C263 L265 Q280 R281 D283 G284 L286 A303 V304	M257-F259 HydrophobicContact CB-CE2 3.64Å; M257-F259 HydrophobicContact CB-CZ 3.75Å; M257-F259 HydrophobicContact SD-CZ 4.18Å; F259-C263 HydrophobicContact CD1-CB 3.78Å; F259-C263 HydrophobicContact CE1-CB 3.99Å; F259-L265 HydrophobicContact CZ-CD2 4.12Å; F259-Q280 HydrophobicContact CD1-CB 3.87Å; F259-Q280 HydrophobicContact CD2-CB 3.78Å; F259-Q280 HydrophobicContact CD2-CG 4.04Å; F259-Q280 HydrophobicContact CE1-CB 3.9Å; F259-Q280 HydrophobicContact CE1-CG 4.32Å; F259-Q280 HydrophobicContact CE2-CB 3.85Å; F259-Q280 HydrophobicContact CE2-CG 3.67Å; F259-Q280 HydrophobicContact CG-CB 3.81Å; F259-Q280 HydrophobicContact CZ-CB 3.92Å; F259-Q280 HydrophobicContact CZ-CG 3.84Å; F259-R281 WeakPolarHBondContact CB-O 3.38Å; F259-D283 WeakPolarHBondContact O-CA 3.44Å; F259-D283 PolarHBondContact O-N 3.39Å; F259-G284 WeakPolarHBondContact CD2-O 3.42Å; F259-G284 PolarHBondContact N-O 2.85Å; F259-L286 HydrophobicContact CE2-CB 4.01Å; F259-A303 CarbonylContact C-O 3.47Å; F259-A303 VanDerWaalsContact CA-O 3.3Å; F259-A303 WeakPolarHBondContact CA-O 3.47Å; F259-V304 HydrophobicContact CD1-CB 3.8Å; F259-V304 HydrophobicContact CD1-CG2 3.7Å; F259-V304 HydrophobicContact CE1-CB 3.71Å; F259-V304 HydrophobicContact CE1-CG2 3.35Å; F259-V304 HydrophobicContact CE2-CG2 4.27Å; F259-V304 HydrophobicContact CG-CG2 4.31Å; F259-V304 HydrophobicContact CZ-CB 4.49Å; F259-V304 HydrophobicContact CZ-CG2 3.64Å
260	T	94	Very high	84.5	Confident	68 Å²	68	39 Å²	39	42%	0.417	23%	0.233	S	C	.	.	S	Bend	trans	-91.7	-15.7	179.6	53.9	0	0	0	0	113.1	K282 A303	T260-K282 WeakPolarHBondContact O-CD 3.44Å; T260-K282 WeakPolarHBondContact O-CE 3.08Å; T260-K282 WeakPolarHBondContact O-CG 3.27Å; T260-A303 PolarHBondContact N-O 3.04Å; T260-A303 WeakPolarHBondContact OG1-CA 3.33Å; T260-A303 PolarHBondContact OG1-O 3.03Å
261	A	92.7	Very high	86.3	Confident	41 Å²	41	39.4 Å²	39.4	34%	0.339	23%	0.228	S	C	.	.	S	Bend	trans	-151.5	174	169.5	0	0	0	0	0	109.9	C263 A303	A261-C263 PolarHBondContact O-N 3.25Å; A261-A303 HydrophobicContact CB-CB 3.82Å
262	D	92.9	Very high	87.7	Confident	88 Å²	88	38.1 Å²	38.1	47%	0.471	23%	0.232	S	C	.	.			trans	-61.7	130	177.5	-73.5	18.7	0	0	0	111.4	Q280 R281 K282	D262-Q280 CarbonylContact C-O 3.59Å; D262-Q280 WeakPolarHBondContact CA-O 3.22Å; D262-R281 VanDerWaalsContact OD1-CA 3.26Å; D262-R281 WeakPolarHBondContact OD1-CA 3.45Å; D262-K282 PolarHBondContact OD1-N 3.08Å
263	C	92.7	Very high	89.3	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	128.6	-176	-174.6	0	0	0	0	111.7	F259 A261 Q280 I298 A300 A303	F259-C263 HydrophobicContact CD1-CB 3.78Å; F259-C263 HydrophobicContact CE1-CB 3.99Å; A261-C263 PolarHBondContact O-N 3.25Å; C263-Q280 PolarHBondContact N-O 3.24Å; C263-Q280 PolarHBondContact O-N 3.31Å; C263-I298 VanDerWaalsContact SG-CG2 3.51Å; C263-A300 HydrophobicContact CB-CB 4.41Å; C263-A300 PolarHBondContact SG-N 2.92Å; C263-A300 VanDerWaalsContact SG-N 3.39Å; C263-A303 HydrophobicContact CB-CB 4.17Å
264	W	93.9	Very high	90.9	Very high	107 Å²	107	42 Å²	42	41%	0.405	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.3	166.1	-174.3	87.4	0	0	0	111	E266 G278 K297 G299	W264-E266 HydrophobicContact CH2-CB 3.59Å; W264-E266 HydrophobicContact CZ2-CB 4.13Å; W264-E266 HydrophobicContact CZ3-CB 4.11Å; W264-G278 WeakPolarHBondContact CA-O 3.29Å; W264-G278 VanDerWaalsContact CD1-O 3.28Å; W264-K297 HydrophobicContact CZ3-CB 4.01Å; W264-G299 PolarHBondContact O-N 2.91Å
265	L	94.4	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.8	-176.5	179.3	74.4	0	0	0	111	M257 F259 V267 F276 S277 G278 L286 K297 I298	M257-L265 HydrophobicContact CE-CD1 4.4Å; M257-L265 HydrophobicContact CE-CD2 4.24Å; M257-L265 HydrophobicContact SD-CD1 4Å; M257-L265 HydrophobicContact SD-CD2 3.55Å; M257-L265 VanDerWaalsContact SD-CD2 3.55Å; M257-L265 HydrophobicContact SD-CG 4.46Å; F259-L265 HydrophobicContact CZ-CD2 4.12Å; L265-V267 HydrophobicContact CD1-CG2 3.92Å; L265-V267 HydrophobicContact CD2-CG2 3.72Å; L265-V267 HydrophobicContact CG-CG2 3.76Å; L265-F276 HydrophobicContact CB-CD1 3.99Å; L265-F276 HydrophobicContact CB-CE1 4.02Å; L265-F276 HydrophobicContact CD2-CD1 3.73Å; L265-F276 HydrophobicContact CD2-CE1 4.24Å; L265-F276 HydrophobicContact CD2-CG 4.44Å; L265-F276 HydrophobicContact CG-CD1 4.02Å; L265-S277 WeakPolarHBondContact O-CA 3.46Å; L265-G278 PolarHBondContact N-O 3.49Å; L265-G278 PolarHBondContact O-N 3.17Å; L265-L286 HydrophobicContact CD2-CD2 3.6Å; L265-K297 WeakPolarHBondContact CA-O 3.48Å; L265-I298 HydrophobicContact CD1-CB 4.49Å; L265-I298 HydrophobicContact CD1-CG1 3.79Å
266	E	95.7	Very high	92.1	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.8	159.9	-179.2	179.4	82.3	0	0	109.8	W264 K274 F276 L296 K297	W264-E266 HydrophobicContact CH2-CB 3.59Å; W264-E266 HydrophobicContact CZ2-CB 4.13Å; W264-E266 HydrophobicContact CZ3-CB 4.11Å; E266-K274 HydrophobicContact CG-CD 4.42Å; E266-K274 VanDerWaalsContact OE2-CE 3.31Å; E266-K274 WeakPolarHBondContact OE2-CE 3.36Å; E266-K274 IonicContact OE2-NZ 2.87Å; E266-K274 PolarHBondContact OE2-NZ 3.1Å; E266-F276 WeakPolarHBondContact CA-O 3.49Å; E266-L296 CarbonylContact O-C 3.58Å; E266-L296 WeakPolarHBondContact O-CA 3.35Å; E266-K297 HydrophobicContact CB-CB 4.34Å; E266-K297 PolarHBondContact N-O 3Å; E266-K297 PolarHBondContact O-N 3.41Å; E266-K297 WeakPolarHBondContact OE1-CD 3.36Å; E266-K297 VanDerWaalsContact OE1-CE 3.28Å; E266-K297 WeakPolarHBondContact OE1-CE 3.25Å; E266-K297 IonicContact OE1-NZ 3.49Å; E266-K297 PolarHBondContact OE1-NZ 3Å
267	V	94.5	Very high	92.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.6	175	-171.7	0	0	0	0	108.9	L255 M257 L265 K274 L275 F276 L288 Y294 K295 L296	L255-V267 HydrophobicContact CD2-CG1 3.95Å; M257-V267 HydrophobicContact CE-CG2 3.8Å; L265-V267 HydrophobicContact CD1-CG2 3.92Å; L265-V267 HydrophobicContact CD2-CG2 3.72Å; L265-V267 HydrophobicContact CG-CG2 3.76Å; V267-K274 CarbonylContact O-C 3.52Å; V267-K274 WeakPolarHBondContact O-CA 3.13Å; V267-L275 HydrophobicContact CG1-CD1 4.43Å; V267-L275 PolarHBondContact O-N 2.63Å; V267-F276 HydrophobicContact CB-CB 4.49Å; V267-F276 PolarHBondContact N-O 3.3Å; V267-F276 PolarHBondContact O-N 3.29Å; V267-L288 HydrophobicContact CB-CD1 3.71Å; V267-L288 HydrophobicContact CG1-CD1 3.8Å; V267-L288 HydrophobicContact CG2-CD1 3.66Å; V267-Y294 HydrophobicContact CG1-CD1 4.33Å; V267-K295 WeakPolarHBondContact CA-O 3.31Å; V267-L296 HydrophobicContact CG1-CD1 4.39Å; V267-L296 HydrophobicContact CG1-CG 4.42Å; V267-L296 HydrophobicContact CG2-CG 4.32Å
268	T	92.3	Very high	92.2	Very high	22 Å²	22	47.8 Å²	47.8	14%	0.135	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	179.6	-49	0	0	0	0	109.7	G272 K273 Y294 K295	T268-G272 VanDerWaalsContact CG2-C 3.44Å; T268-G272 VanDerWaalsContact CG2-O 3.31Å; T268-G272 WeakPolarHBondContact CG2-O 3.15Å; T268-K273 CarbonylContact C-O 3.6Å; T268-K273 WeakPolarHBondContact CA-O 3.18Å; T268-Y294 CarbonylContact O-C 3.56Å; T268-Y294 WeakPolarHBondContact O-CA 3.42Å; T268-K295 PolarHBondContact N-O 3.05Å; T268-K295 PolarHBondContact O-N 3.28Å
269	D	90.5	Very high	92.2	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	29%	0.286	C	S	.	.			trans	-89.6	-175.7	179.9	82.4	5.5	0	0	0	113.5	T271 G272 K273 L275 Q291 P293	D269-T271 VanDerWaalsContact C-N 3.28Å; D269-T271 PolarHBondContact O-N 3.35Å; D269-T271 WeakPolarHBondContact OD1-CA 3.37Å; D269-T271 WeakPolarHBondContact OD1-CB 3.25Å; D269-T271 PolarHBondContact OD1-N 2.76Å; D269-T271 PolarHBondContact OD1-OG1 3.19Å; D269-G272 PolarHBondContact O-N 3.18Å; D269-G272 VanDerWaalsContact O-N 3.09Å; D269-G272 PolarHBondContact OD1-N 3.26Å; D269-K273 PolarHBondContact N-O 2.99Å; D269-K273 WeakPolarHBondContact OD1-CB 3.07Å; D269-K273 PolarHBondContact OD1-N 2.95Å; D269-K273 VanDerWaalsContact OD1-N 3.12Å; D269-L275 HydrophobicContact CB-CD1 4.07Å; D269-L275 HydrophobicContact CB-CD2 4.25Å; D269-L275 HydrophobicContact CB-CG 4.15Å; D269-Q291 WeakPolarHBondContact CB-O 3.3Å; D269-Q291 PolarHBondContact OD2-N 3.07Å; D269-P293 CarbonylContact C-O 3.28Å; D269-P293 VanDerWaalsContact C-O 3.23Å
270	A	83.7	Confident	92.1	Very high	38 Å²	38	52.3 Å²	52.3	31%	0.314	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.7	-179.8	0	0	0	0	0	113.7	G272 Q291 A292 P293	A270-G272 PolarHBondContact O-N 3.45Å; A270-Q291 HydrophobicContact CB-CB 3.98Å; A270-Q291 HydrophobicContact CB-CG 3.86Å; A270-Q291 WeakPolarHBondContact CB-O 3.25Å; A270-Q291 PolarHBondContact N-O 2.96Å; A270-A292 WeakPolarHBondContact CB-O 3.46Å; A270-P293 HydrophobicContact CB-CG 4.46Å; A270-P293 PolarHBondContact N-O 3.05Å
271	T	84.3	Confident	92	Very high	92 Å²	92	57.9 Å²	57.9	56%	0.564	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-13	179.6	75.6	0	0	0	0	112.2	D269 K273 Q291	D269-T271 VanDerWaalsContact C-N 3.28Å; D269-T271 PolarHBondContact O-N 3.35Å; D269-T271 WeakPolarHBondContact OD1-CA 3.37Å; D269-T271 WeakPolarHBondContact OD1-CB 3.25Å; D269-T271 PolarHBondContact OD1-N 2.76Å; D269-T271 PolarHBondContact OD1-OG1 3.19Å; T271-K273 WeakPolarHBondContact OG1-CB 3.43Å; T271-K273 PolarHBondContact OG1-N 3.34Å; T271-Q291 HydrophobicContact CG2-CB 4.35Å; T271-Q291 VanDerWaalsContact CG2-OE1 3.24Å
272	G	85.3	Confident	92	Very high	48 Å²	48	61.2 Å²	61.2	50%	0.495	31%	0.313	S	S	.	.	S	Bend	trans	89.4	3	-170.8	0	0	0	0	0	113.4	T268 D269 A270 K274	T268-G272 VanDerWaalsContact CG2-C 3.44Å; T268-G272 VanDerWaalsContact CG2-O 3.31Å; T268-G272 WeakPolarHBondContact CG2-O 3.15Å; D269-G272 PolarHBondContact O-N 3.18Å; D269-G272 VanDerWaalsContact O-N 3.09Å; D269-G272 PolarHBondContact OD1-N 3.26Å; A270-G272 PolarHBondContact O-N 3.45Å; G272-K274 PolarHBondContact O-N 3.33Å
273	K	89.1	Confident	91.9	Very high	130 Å²	130	63 Å²	63	57%	0.565	32%	0.322	S	S	*	.			trans	-69.1	123.8	175	-178.8	-171.2	177.1	-170.7	0	109.6	T268 D269 T271 L275	T268-K273 CarbonylContact C-O 3.6Å; T268-K273 WeakPolarHBondContact CA-O 3.18Å; D269-K273 PolarHBondContact N-O 2.99Å; D269-K273 WeakPolarHBondContact OD1-CB 3.07Å; D269-K273 PolarHBondContact OD1-N 2.95Å; D269-K273 VanDerWaalsContact OD1-N 3.12Å; T271-K273 WeakPolarHBondContact OG1-CB 3.43Å; T271-K273 PolarHBondContact OG1-N 3.34Å; K273-L275 HydrophobicContact CD-CD2 4.02Å; K273-L275 HydrophobicContact CG-CD2 4.28Å; K273-L275 PolarHBondContact O-N 3.36Å
274	K	93.9	Very high	91.7	Very high	118 Å²	118	63.8 Å²	63.8	51%	0.513	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.6	168.3	-62.2	-165.5	-173.7	-170.4	0	108.9	E266 V267 G272	E266-K274 HydrophobicContact CG-CD 4.42Å; E266-K274 VanDerWaalsContact OE2-CE 3.31Å; E266-K274 WeakPolarHBondContact OE2-CE 3.36Å; E266-K274 IonicContact OE2-NZ 2.87Å; E266-K274 PolarHBondContact OE2-NZ 3.1Å; V267-K274 CarbonylContact O-C 3.52Å; V267-K274 WeakPolarHBondContact O-CA 3.13Å; G272-K274 PolarHBondContact O-N 3.33Å
275	L	92	Very high	91.6	Very high	34 Å²	34	63 Å²	63	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-33.1	174.9	-54.8	-178	0	0	0	111.1	V267 D269 K273 L288 Y294	V267-L275 HydrophobicContact CG1-CD1 4.43Å; V267-L275 PolarHBondContact O-N 2.63Å; D269-L275 HydrophobicContact CB-CD1 4.07Å; D269-L275 HydrophobicContact CB-CD2 4.25Å; D269-L275 HydrophobicContact CB-CG 4.15Å; K273-L275 HydrophobicContact CD-CD2 4.02Å; K273-L275 HydrophobicContact CG-CD2 4.28Å; K273-L275 PolarHBondContact O-N 3.36Å; L275-L288 HydrophobicContact CB-CD1 4.19Å; L275-L288 HydrophobicContact CB-CD2 4.35Å; L275-L288 HydrophobicContact CD1-CB 4.43Å; L275-Y294 HydrophobicContact CD1-CD1 3.59Å; L275-Y294 HydrophobicContact CD1-CE1 3.41Å; L275-Y294 VanDerWaalsContact CD1-CE1 3.41Å
276	F	95	Very high	91.5	Very high	42 Å²	42	64 Å²	64	18%	0.184	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.6	172.1	-172.4	-93.8	0	0	0	110.5	L265 E266 V267 Q280 L286 L288	L265-F276 HydrophobicContact CB-CD1 3.99Å; L265-F276 HydrophobicContact CB-CE1 4.02Å; L265-F276 HydrophobicContact CD2-CD1 3.73Å; L265-F276 HydrophobicContact CD2-CE1 4.24Å; L265-F276 HydrophobicContact CD2-CG 4.44Å; L265-F276 HydrophobicContact CG-CD1 4.02Å; E266-F276 WeakPolarHBondContact CA-O 3.49Å; V267-F276 HydrophobicContact CB-CB 4.49Å; V267-F276 PolarHBondContact N-O 3.3Å; V267-F276 PolarHBondContact O-N 3.29Å; F276-Q280 HydrophobicContact CE1-CG 4.12Å; F276-Q280 HydrophobicContact CZ-CG 3.85Å; F276-L286 HydrophobicContact CB-CD2 4.01Å; F276-L286 HydrophobicContact CD1-CD2 4.08Å; F276-L286 HydrophobicContact CD2-CD1 3.91Å; F276-L286 HydrophobicContact CD2-CD2 3.87Å; F276-L286 HydrophobicContact CE2-CD1 4.23Å; F276-L286 HydrophobicContact CE2-CD2 4.38Å; F276-L286 HydrophobicContact CG-CD2 3.7Å; F276-L288 HydrophobicContact CB-CD1 4.06Å; F276-L288 HydrophobicContact CB-CD2 4.28Å
277	S	95.5	Very high	91.4	Very high	64 Å²	64	67.8 Å²	67.8	45%	0.448	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	110.2	169.9	-168.3	0	0	0	0	108.7	L265	L265-S277 WeakPolarHBondContact O-CA 3.46Å
278	G	94.2	Very high	91.2	Very high	21 Å²	21	68.6 Å²	68.6	22%	0.216	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-167.4	-173.9	0	0	0	0	0	113.5	W264 L265	W264-G278 WeakPolarHBondContact CA-O 3.29Å; W264-G278 VanDerWaalsContact CD1-O 3.28Å; L265-G278 PolarHBondContact N-O 3.49Å; L265-G278 PolarHBondContact O-N 3.17Å
279	M	93.6	Very high	91	Very high	122 Å²	122	71.1 Å²	71.1	60%	0.601	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.4	174.2	-176.3	171.8	-77.8	0	0	109.9
280	Q	94.2	Very high	90.7	Very high	36 Å²	36	72.2 Å²	72.2	17%	0.168	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.4	162.9	-75.8	-65.2	-12.5	0	0	109.3	F259 D262 C263 F276	F259-Q280 HydrophobicContact CD1-CB 3.87Å; F259-Q280 HydrophobicContact CD2-CB 3.78Å; F259-Q280 HydrophobicContact CD2-CG 4.04Å; F259-Q280 HydrophobicContact CE1-CB 3.9Å; F259-Q280 HydrophobicContact CE1-CG 4.32Å; F259-Q280 HydrophobicContact CE2-CB 3.85Å; F259-Q280 HydrophobicContact CE2-CG 3.67Å; F259-Q280 HydrophobicContact CG-CB 3.81Å; F259-Q280 HydrophobicContact CZ-CB 3.92Å; F259-Q280 HydrophobicContact CZ-CG 3.84Å; D262-Q280 CarbonylContact C-O 3.59Å; D262-Q280 WeakPolarHBondContact CA-O 3.22Å; C263-Q280 PolarHBondContact N-O 3.24Å; C263-Q280 PolarHBondContact O-N 3.31Å; F276-Q280 HydrophobicContact CE1-CG 4.12Å; F276-Q280 HydrophobicContact CZ-CG 3.85Å
281	R	92.2	Very high	90.5	Very high	186 Å²	186	76 Å²	76	70%	0.702	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-94.8	163.7	177	-70.8	-176	179	169.5	0.9	111	F259 D262 G284	F259-R281 WeakPolarHBondContact CB-O 3.38Å; D262-R281 VanDerWaalsContact OD1-CA 3.26Å; D262-R281 WeakPolarHBondContact OD1-CA 3.45Å; R281-G284 PolarHBondContact O-N 2.93Å; R281-G284 VanDerWaalsContact O-N 3.11Å
282	K	91.8	Very high	90.1	Very high	111 Å²	111	73.3 Å²	73.3	48%	0.483	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	140.8	165.5	180	164.4	-175.8	-66.1	0	111.3	T260 D262 G284	T260-K282 WeakPolarHBondContact O-CD 3.44Å; T260-K282 WeakPolarHBondContact O-CE 3.08Å; T260-K282 WeakPolarHBondContact O-CG 3.27Å; D262-K282 PolarHBondContact OD1-N 3.08Å; K282-G284 PolarHBondContact O-N 2.9Å
283	D	90.7	Very high	89.8	Confident	124 Å²	124	73 Å²	73	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	11.8	-178.2	-46.8	-38.2	0	0	0	114.1	F259	F259-D283 WeakPolarHBondContact O-CA 3.44Å; F259-D283 PolarHBondContact O-N 3.39Å
284	G	89.9	Confident	89.8	Confident	19 Å²	19	66.9 Å²	66.9	20%	0.196	36%	0.355	C	S	.	.			trans	-71.6	152.2	171.2	0	0	0	0	0	113.5	F259 R281 K282	F259-G284 WeakPolarHBondContact CD2-O 3.42Å; F259-G284 PolarHBondContact N-O 2.85Å; R281-G284 PolarHBondContact O-N 2.93Å; R281-G284 VanDerWaalsContact O-N 3.11Å; K282-G284 PolarHBondContact O-N 2.9Å
285	N	91.8	Very high	89.6	Confident	90 Å²	90	66.3 Å²	66.3	48%	0.481	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.5	166.8	177.6	-82.7	0	0	0	109.3	M257 N258	M257-N285 CarbonylContact O-C 3.48Å; M257-N285 WeakPolarHBondContact O-CA 3.37Å; N258-N285 PolarHBondContact OD1-ND2 2.99Å
286	L	92.1	Very high	89.6	Confident	23 Å²	23	64.8 Å²	64.8	12%	0.12	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	121	173.8	-172.6	69.7	0	0	0	109.2	V256 M257 F259 L265 F276 L288	V256-L286 CarbonylContact C-O 3.58Å; V256-L286 WeakPolarHBondContact CA-O 3.46Å; M257-L286 HydrophobicContact CB-CB 4.41Å; M257-L286 PolarHBondContact N-O 3.36Å; M257-L286 PolarHBondContact O-N 3.1Å; F259-L286 HydrophobicContact CE2-CB 4.01Å; L265-L286 HydrophobicContact CD2-CD2 3.6Å; F276-L286 HydrophobicContact CB-CD2 4.01Å; F276-L286 HydrophobicContact CD1-CD2 4.08Å; F276-L286 HydrophobicContact CD2-CD1 3.91Å; F276-L286 HydrophobicContact CD2-CD2 3.87Å; F276-L286 HydrophobicContact CE2-CD1 4.23Å; F276-L286 HydrophobicContact CE2-CD2 4.38Å; F276-L286 HydrophobicContact CG-CD2 3.7Å; L286-L288 HydrophobicContact CD1-CD2 3.95Å; L286-L288 HydrophobicContact CD2-CD1 3.91Å; L286-L288 HydrophobicContact CD2-CD2 4.09Å; L286-L288 HydrophobicContact CD2-CG 4.01Å; L286-L288 HydrophobicContact CG-CD1 4.37Å; L286-L288 HydrophobicContact CG-CD2 3.87Å; L286-L288 HydrophobicContact CG-CG 3.91Å
287	N	93.3	Very high	89.6	Confident	97 Å²	97	66.8 Å²	66.8	52%	0.519	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	172.4	-171.8	-0.4	0	0	0	108.6
288	L	90	Very high	89.5	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.084	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.3	-176.6	-60	178.6	0	0	0	111.1	L255 V267 L275 F276 L286	L255-L288 HydrophobicContact CB-CB 4.36Å; L255-L288 PolarHBondContact N-O 3.14Å; L255-L288 PolarHBondContact O-N 3.15Å; V267-L288 HydrophobicContact CB-CD1 3.71Å; V267-L288 HydrophobicContact CG1-CD1 3.8Å; V267-L288 HydrophobicContact CG2-CD1 3.66Å; L275-L288 HydrophobicContact CB-CD1 4.19Å; L275-L288 HydrophobicContact CB-CD2 4.35Å; L275-L288 HydrophobicContact CD1-CB 4.43Å; F276-L288 HydrophobicContact CB-CD1 4.06Å; F276-L288 HydrophobicContact CB-CD2 4.28Å; L286-L288 HydrophobicContact CD1-CD2 3.95Å; L286-L288 HydrophobicContact CD2-CD1 3.91Å; L286-L288 HydrophobicContact CD2-CD2 4.09Å; L286-L288 HydrophobicContact CD2-CG 4.01Å; L286-L288 HydrophobicContact CG-CD1 4.37Å; L286-L288 HydrophobicContact CG-CD2 3.87Å; L286-L288 HydrophobicContact CG-CG 3.91Å
289	T	88.2	Confident	89.5	Confident	76 Å²	76	64.2 Å²	64.2	47%	0.466	34%	0.336	S	S	.	.			trans	-125.6	144.7	169.8	56.7	0	0	0	0	109.7	D251	D251-T289 HydrophobicContact CB-CG2 4.21Å; D251-T289 WeakPolarHBondContact OD2-CG2 3.42Å
290	G	83.2	Confident	89.4	Confident	30 Å²	30	60 Å²	60	31%	0.309	32%	0.322	S	S	.	.			trans	176.8	-170.8	-176.6	0	0	0	0	0	111.2	Y294	G290-Y294 PolarHBondContact N-OH 3.1Å; G290-Y294 PolarHBondContact O-OH 2.73Å; G290-Y294 VanDerWaalsContact O-OH 3.12Å
291	Q	80.9	Confident	89.2	Confident	116 Å²	116	58.7 Å²	58.7	54%	0.542	32%	0.316	S	S	.	.	S	Bend	trans	-86.5	120.8	-178.5	-165.7	173.1	6.6	0	0	112.3	D269 A270 T271 P293	D269-Q291 WeakPolarHBondContact CB-O 3.3Å; D269-Q291 PolarHBondContact OD2-N 3.07Å; A270-Q291 HydrophobicContact CB-CB 3.98Å; A270-Q291 HydrophobicContact CB-CG 3.86Å; A270-Q291 WeakPolarHBondContact CB-O 3.25Å; A270-Q291 PolarHBondContact N-O 2.96Å; T271-Q291 HydrophobicContact CG2-CB 4.35Å; T271-Q291 VanDerWaalsContact CG2-OE1 3.24Å; Q291-P293 CarbonylContact O-C 3.6Å
292	A	74.4	Confident	89.2	Confident	37 Å²	37	53.2 Å²	53.2	31%	0.306	31%	0.311	S	S	.	.	S	Bend	trans	-54.7	132	166.6	0	0	0	0	0	111.9	A270 N330	A270-A292 WeakPolarHBondContact CB-O 3.46Å; A292-N330 HydrophobicContact CB-CB 3.78Å; A292-N330 VanDerWaalsContact CB-ND2 3.33Å; A292-N330 WeakPolarHBondContact CB-ND2 3.38Å
293	P	80.2	Confident	89.2	Confident	42 Å²	42	48.2 Å²	48.2	27%	0.273	29%	0.29	S	S	.	.	P	Polyproline II helix	cis	-81.9	146.3	1.5	29.4	-36.4	0	0	0	118	D269 A270 Q291 T328 L329 N330	D269-P293 CarbonylContact C-O 3.28Å; D269-P293 VanDerWaalsContact C-O 3.23Å; A270-P293 HydrophobicContact CB-CG 4.46Å; A270-P293 PolarHBondContact N-O 3.05Å; Q291-P293 CarbonylContact O-C 3.6Å; P293-T328 HydrophobicContact CB-CG2 3.64Å; P293-T328 HydrophobicContact CG-CG2 4.4Å; P293-L329 CarbonylContact C-O 3.49Å; P293-L329 WeakPolarHBondContact CA-O 3.18Å; P293-L329 WeakPolarHBondContact CB-O 3.31Å; P293-N330 HydrophobicContact CB-CB 4.12Å
294	Y	88.5	Confident	89.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.2	169	-54.7	-85.6	0	0	0	110.7	N253 L255 V267 T268 L275 G290 L296 Y308 T328 L329	N253-Y294 PolarHBondContact O-OH 3.09Å; L255-Y294 HydrophobicContact CD2-CD1 4.13Å; L255-Y294 HydrophobicContact CD2-CD2 4.36Å; L255-Y294 HydrophobicContact CD2-CG 3.96Å; V267-Y294 HydrophobicContact CG1-CD1 4.33Å; T268-Y294 CarbonylContact O-C 3.56Å; T268-Y294 WeakPolarHBondContact O-CA 3.42Å; L275-Y294 HydrophobicContact CD1-CD1 3.59Å; L275-Y294 HydrophobicContact CD1-CE1 3.41Å; L275-Y294 VanDerWaalsContact CD1-CE1 3.41Å; G290-Y294 PolarHBondContact N-OH 3.1Å; G290-Y294 PolarHBondContact O-OH 2.73Å; G290-Y294 VanDerWaalsContact O-OH 3.12Å; Y294-L296 WeakPolarHBondContact O-CD1 3.47Å; Y294-Y308 HydrophobicContact CD2-CD2 4.46Å; Y294-Y308 AromaticContact CD2-CE2 3.91Å; Y294-Y308 HydrophobicContact CD2-CE2 3.91Å; Y294-Y308 HydrophobicContact CE2-CD2 4.25Å; Y294-Y308 AromaticContact CE2-CE2 3.42Å; Y294-Y308 HydrophobicContact CE2-CE2 3.42Å; Y294-Y308 VanDerWaalsContact CE2-CE2 3.42Å; Y294-Y308 AromaticContact CE2-CZ 3.9Å; Y294-T328 CarbonylContact O-C 3.23Å; Y294-T328 VanDerWaalsContact O-CA 3.26Å; Y294-T328 WeakPolarHBondContact O-CA 3.47Å; Y294-L329 PolarHBondContact N-O 3.16Å; Y294-L329 PolarHBondContact O-N 3.47Å
295	K	90.5	Very high	89.5	Confident	106 Å²	106	47.8 Å²	47.8	46%	0.461	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.2	171.7	-65.9	162	-173.5	158.1	0	109.1	V267 T268 T328	V267-K295 WeakPolarHBondContact CA-O 3.31Å; T268-K295 PolarHBondContact N-O 3.05Å; T268-K295 PolarHBondContact O-N 3.28Å; K295-T328 HydrophobicContact CG-CG2 4.15Å
296	L	92.6	Very high	89.5	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.4	-175.9	-70	67.8	0	0	0	110.6	L255 M257 E266 V267 Y294 I298 I306 R326 L327 L329	L255-L296 HydrophobicContact CD2-CD1 4.17Å; L255-L296 HydrophobicContact CD2-CD2 4.43Å; M257-L296 HydrophobicContact CE-CD2 3.61Å; M257-L296 HydrophobicContact CE-CG 4.22Å; E266-L296 CarbonylContact O-C 3.58Å; E266-L296 WeakPolarHBondContact O-CA 3.35Å; V267-L296 HydrophobicContact CG1-CD1 4.39Å; V267-L296 HydrophobicContact CG1-CG 4.42Å; V267-L296 HydrophobicContact CG2-CG 4.32Å; Y294-L296 WeakPolarHBondContact O-CD1 3.47Å; L296-I298 HydrophobicContact CD2-CD1 4.5Å; L296-I306 HydrophobicContact CD2-CD1 3.85Å; L296-R326 WeakPolarHBondContact O-CA 3.46Å; L296-L327 HydrophobicContact CB-CD2 3.95Å; L296-L327 HydrophobicContact CB-CG 4.12Å; L296-L327 HydrophobicContact CD2-CD2 4.44Å; L296-L327 HydrophobicContact CD2-CG 4.44Å; L296-L327 PolarHBondContact N-O 2.6Å; L296-L327 PolarHBondContact O-N 3.09Å; L296-L329 HydrophobicContact CD1-CD1 3.85Å; L296-L329 HydrophobicContact CD1-CG 4.03Å; L296-L329 HydrophobicContact CD2-CD1 3.88Å
297	K	93.7	Very high	89.5	Confident	84 Å²	84	46.7 Å²	46.7	37%	0.365	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119	164.8	-57.8	173.2	-169.8	159.1	0	108.4	W264 L265 E266 A325 R326	W264-K297 HydrophobicContact CZ3-CB 4.01Å; L265-K297 WeakPolarHBondContact CA-O 3.48Å; E266-K297 HydrophobicContact CB-CB 4.34Å; E266-K297 PolarHBondContact N-O 3Å; E266-K297 PolarHBondContact O-N 3.41Å; E266-K297 WeakPolarHBondContact OE1-CD 3.36Å; E266-K297 VanDerWaalsContact OE1-CE 3.28Å; E266-K297 WeakPolarHBondContact OE1-CE 3.25Å; E266-K297 IonicContact OE1-NZ 3.49Å; E266-K297 PolarHBondContact OE1-NZ 3Å; K297-A325 CarbonylContact C-O 3.4Å; K297-A325 WeakPolarHBondContact CA-O 3.25Å; K297-R326 HydrophobicContact CG-CG 4.49Å
298	I	94.3	Very high	89.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	-173	-49.5	165.1	0	0	0	108.6	C263 L265 L296 P301 V304 I306 L315 V324 A325 L327	C263-I298 VanDerWaalsContact SG-CG2 3.51Å; L265-I298 HydrophobicContact CD1-CB 4.49Å; L265-I298 HydrophobicContact CD1-CG1 3.79Å; L296-I298 HydrophobicContact CD2-CD1 4.5Å; I298-P301 HydrophobicContact CB-CG 4.42Å; I298-P301 HydrophobicContact CG2-CG 4.35Å; I298-V304 HydrophobicContact CD1-CG1 4.32Å; I298-V304 HydrophobicContact CG2-CG1 3.63Å; I298-I306 HydrophobicContact CD1-CD1 3.43Å; I298-I306 VanDerWaalsContact CD1-CD1 3.43Å; I298-I306 HydrophobicContact CG1-CD1 4.39Å; I298-L315 HydrophobicContact CD1-CD1 4.05Å; I298-L315 HydrophobicContact CD1-CD2 4.01Å; I298-V324 CarbonylContact O-C 3.55Å; I298-V324 VanDerWaalsContact O-CA 3.3Å; I298-V324 WeakPolarHBondContact O-CA 3.34Å; I298-V324 WeakPolarHBondContact O-CG1 3.3Å; I298-A325 HydrophobicContact CB-CB 4.11Å; I298-A325 HydrophobicContact CD1-CB 4.1Å; I298-A325 HydrophobicContact CG1-CB 4.42Å; I298-A325 PolarHBondContact N-O 2.89Å; I298-A325 PolarHBondContact O-N 3.15Å; I298-L327 HydrophobicContact CD1-CD2 3.84Å
299	G	92.8	Very high	88.7	Confident	30 Å²	30	46.2 Å²	46.2	31%	0.309	27%	0.265	S	S	.	.	S	Bend	trans	-66.1	-40.2	-175.8	0	0	0	0	0	113.9	W264	W264-G299 PolarHBondContact O-N 2.91Å
300	A	91.8	Very high	88.2	Confident	35 Å²	35	45.3 Å²	45.3	29%	0.289	27%	0.271	S	S	.	.			trans	-130.2	84.9	-180	0	0	0	0	0	110.5	C263 A302 A303	C263-A300 HydrophobicContact CB-CB 4.41Å; C263-A300 PolarHBondContact SG-N 2.92Å; C263-A300 VanDerWaalsContact SG-N 3.39Å; A300-A302 PolarHBondContact O-N 3.48Å; A300-A302 VanDerWaalsContact O-N 3.15Å; A300-A303 HydrophobicContact CB-CB 3.92Å; A300-A303 VanDerWaalsContact O-CB 3.31Å; A300-A303 WeakPolarHBondContact O-CB 3.45Å; A300-A303 PolarHBondContact O-N 3.22Å
301	P	89.9	Confident	88	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.045	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64	-22	-173.1	-26.4	38.2	0	0	0	115.1	I298 A303 L315 F318 I319 Q323 A325	I298-P301 HydrophobicContact CB-CG 4.42Å; I298-P301 HydrophobicContact CG2-CG 4.35Å; P301-A303 PolarHBondContact O-N 3.32Å; P301-L315 HydrophobicContact CB-CB 4.41Å; P301-L315 HydrophobicContact CB-CD1 4.39Å; P301-F318 HydrophobicContact CB-CB 4.02Å; P301-F318 HydrophobicContact CG-CB 3.91Å; P301-I319 HydrophobicContact CB-CG1 4.12Å; P301-Q323 WeakPolarHBondContact CD-O 3.42Å; P301-Q323 VanDerWaalsContact CG-O 3.24Å; P301-Q323 WeakPolarHBondContact CG-O 3.25Å; P301-A325 HydrophobicContact CB-CB 4.03Å; P301-A325 HydrophobicContact CG-CB 3.43Å; P301-A325 VanDerWaalsContact CG-CB 3.43Å
302	A	92.3	Very high	88.3	Confident	72 Å²	72	50.3 Å²	50.3	60%	0.595	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-73.2	-15.3	173.2	0	0	0	0	0	113.3	A300 I319	A300-A302 PolarHBondContact O-N 3.48Å; A300-A302 VanDerWaalsContact O-N 3.15Å; A302-I319 HydrophobicContact CB-CG1 4.19Å; A302-I319 HydrophobicContact CB-CG2 4.17Å
303	A	92.7	Very high	88.8	Confident	6 Å²	6	49.9 Å²	49.9	5%	0.05	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-94.6	4.3	-178.1	0	0	0	0	0	113.5	F259 T260 A261 C263 A300 P301	F259-A303 CarbonylContact C-O 3.47Å; F259-A303 VanDerWaalsContact CA-O 3.3Å; F259-A303 WeakPolarHBondContact CA-O 3.47Å; T260-A303 PolarHBondContact N-O 3.04Å; T260-A303 WeakPolarHBondContact OG1-CA 3.33Å; T260-A303 PolarHBondContact OG1-O 3.03Å; A261-A303 HydrophobicContact CB-CB 3.82Å; C263-A303 HydrophobicContact CB-CB 4.17Å; A300-A303 HydrophobicContact CB-CB 3.92Å; A300-A303 VanDerWaalsContact O-CB 3.31Å; A300-A303 WeakPolarHBondContact O-CB 3.45Å; A300-A303 PolarHBondContact O-N 3.22Å; P301-A303 PolarHBondContact O-N 3.32Å
304	V	93.2	Very high	89	Confident	9 Å²	9	53 Å²	53	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.9	-178.4	69	0	0	0	0	112.6	M257 N258 F259 I298 I306 L315	M257-V304 HydrophobicContact CB-CG2 3.9Å; N258-V304 CarbonylContact O-C 3.48Å; N258-V304 WeakPolarHBondContact O-CA 3.43Å; F259-V304 HydrophobicContact CD1-CB 3.8Å; F259-V304 HydrophobicContact CD1-CG2 3.7Å; F259-V304 HydrophobicContact CE1-CB 3.71Å; F259-V304 HydrophobicContact CE1-CG2 3.35Å; F259-V304 HydrophobicContact CE2-CG2 4.27Å; F259-V304 HydrophobicContact CG-CG2 4.31Å; F259-V304 HydrophobicContact CZ-CB 4.49Å; F259-V304 HydrophobicContact CZ-CG2 3.64Å; I298-V304 HydrophobicContact CD1-CG1 4.32Å; I298-V304 HydrophobicContact CG2-CG1 3.63Å; V304-I306 HydrophobicContact CG1-CD1 4.17Å; V304-I306 HydrophobicContact CG1-CG1 4.16Å; V304-I306 HydrophobicContact CG2-CD1 4.33Å; V304-I306 HydrophobicContact CG2-CG1 3.77Å; V304-L315 HydrophobicContact CG1-CD1 3.83Å
305	Q	93.4	Very high	89	Confident	125 Å²	125	53.4 Å²	53.4	58%	0.584	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.2	165.8	-61.7	178.3	6.6	0	0	108.2	M257 N258	M257-Q305 CarbonylContact C-O 3.51Å; M257-Q305 WeakPolarHBondContact CA-O 3.42Å; N258-Q305 PolarHBondContact N-O 3.03Å; N258-Q305 PolarHBondContact O-N 3.23Å
306	I	92.4	Very high	88.4	Confident	4 Å²	4	50 Å²	50	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135	-176.2	-58.7	-174.3	0	0	0	109.6	L255 V256 M257 L296 I298 V304 P312 V313 L315	L255-I306 HydrophobicContact CD1-CG2 3.62Å; V256-I306 CarbonylContact O-C 3.54Å; V256-I306 WeakPolarHBondContact O-CA 3.49Å; M257-I306 HydrophobicContact CB-CG1 4.36Å; M257-I306 HydrophobicContact CE-CD1 4.04Å; M257-I306 HydrophobicContact CE-CG2 4.48Å; M257-I306 HydrophobicContact CG-CD1 4.24Å; M257-I306 HydrophobicContact CG-CG1 3.9Å; M257-I306 HydrophobicContact CG-CG2 4.27Å; M257-I306 HydrophobicContact SD-CD1 3.73Å; M257-I306 HydrophobicContact SD-CG1 4.04Å; L296-I306 HydrophobicContact CD2-CD1 3.85Å; I298-I306 HydrophobicContact CD1-CD1 3.43Å; I298-I306 VanDerWaalsContact CD1-CD1 3.43Å; I298-I306 HydrophobicContact CG1-CD1 4.39Å; V304-I306 HydrophobicContact CG1-CD1 4.17Å; V304-I306 HydrophobicContact CG1-CG1 4.16Å; V304-I306 HydrophobicContact CG2-CD1 4.33Å; V304-I306 HydrophobicContact CG2-CG1 3.77Å; I306-P312 WeakPolarHBondContact O-CA 3.31Å; I306-V313 HydrophobicContact CB-CB 4.13Å; I306-V313 HydrophobicContact CB-CG2 4.45Å; I306-V313 HydrophobicContact CG2-CB 4.08Å; I306-V313 HydrophobicContact CG2-CG2 3.87Å; I306-V313 PolarHBondContact O-N 3.33Å; I306-L315 HydrophobicContact CD1-CD1 4.21Å; I306-L315 HydrophobicContact CG1-CD1 4.34Å
307	Q	90.4	Very high	87.7	Confident	85 Å²	85	56.7 Å²	56.7	40%	0.397	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.4	169.3	-65.9	175.6	-1.7	0	0	109.6	V256 K311	V256-Q307 HydrophobicContact CB-CB 4.45Å; V256-Q307 PolarHBondContact N-O 3.43Å; V256-Q307 PolarHBondContact O-N 2.64Å; Q307-K311 CarbonylContact C-O 3.5Å; Q307-K311 VanDerWaalsContact CA-O 3.24Å; Q307-K311 WeakPolarHBondContact CA-O 3.4Å
308	Y	85.9	Confident	87.2	Confident	9 Å²	9	53.7 Å²	53.7	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.5	174.4	-176.8	-120.1	0	0	0	110	L255 Y294 G310 K311 L329 N330	L255-Y308 HydrophobicContact CB-CD2 4.13Å; L255-Y308 HydrophobicContact CD1-CD2 4.12Å; L255-Y308 HydrophobicContact CD1-CG 4.49Å; Y294-Y308 HydrophobicContact CD2-CD2 4.46Å; Y294-Y308 AromaticContact CD2-CE2 3.91Å; Y294-Y308 HydrophobicContact CD2-CE2 3.91Å; Y294-Y308 HydrophobicContact CE2-CD2 4.25Å; Y294-Y308 AromaticContact CE2-CE2 3.42Å; Y294-Y308 HydrophobicContact CE2-CE2 3.42Å; Y294-Y308 VanDerWaalsContact CE2-CE2 3.42Å; Y294-Y308 AromaticContact CE2-CZ 3.9Å; Y308-G310 PolarHBondContact O-N 3.04Å; Y308-G310 VanDerWaalsContact O-N 3.17Å; Y308-K311 PolarHBondContact N-O 3.18Å; Y308-K311 PolarHBondContact O-N 2.91Å; Y308-L329 HydrophobicContact CD1-CB 4.24Å; Y308-L329 HydrophobicContact CG-CB 4.45Å; Y308-L329 HydrophobicContact CG-CD1 4.24Å; Y308-N330 WeakPolarHBondContact CE1-ND2 3.11Å; Y308-N330 VanDerWaalsContact CE1-OD1 3.22Å; Y308-N330 WeakPolarHBondContact CE1-OD1 3.12Å; Y308-N330 VanDerWaalsContact OH-CG 3.23Å; Y308-N330 PolarHBondContact OH-ND2 2.74Å; Y308-N330 PolarHBondContact OH-OD1 2.59Å
309	Q	81.1	Confident	86.7	Confident	94 Å²	94	57.5 Å²	57.5	44%	0.439	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	38.2	-170.3	-45.9	-168.8	-41.6	0	0	112.3	P252 N253 A254 K311	P252-Q309 VanDerWaalsContact O-CG 3.24Å; P252-Q309 WeakPolarHBondContact O-CG 3.48Å; P252-Q309 PolarHBondContact O-NE2 2.88Å; N253-Q309 PolarHBondContact OD1-NE2 3.49Å; A254-Q309 PolarHBondContact O-N 2.92Å; Q309-K311 PolarHBondContact O-N 2.95Å
310	G	77.7	Confident	86	Confident	58 Å²	58	66.1 Å²	66.1	60%	0.598	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-11.1	-175.7	0	0	0	0	0	116.3	Y308	Y308-G310 PolarHBondContact O-N 3.04Å; Y308-G310 VanDerWaalsContact O-N 3.17Å
311	K	79.8	Confident	85.2	Confident	141 Å²	141	66.4 Å²	66.4	61%	0.613	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.9	178.1	-63.3	175.9	-176.3	169.5	0	111	Q307 Y308 Q309	Q307-K311 CarbonylContact C-O 3.5Å; Q307-K311 VanDerWaalsContact CA-O 3.24Å; Q307-K311 WeakPolarHBondContact CA-O 3.4Å; Y308-K311 PolarHBondContact N-O 3.18Å; Y308-K311 PolarHBondContact O-N 2.91Å; Q309-K311 PolarHBondContact O-N 2.95Å
312	P	86.2	Confident	84.8	Confident	109 Å²	109	73.3 Å²	73.3	71%	0.708	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.2	175	28.7	-34.1	0	0	0	111.3	I306	I306-P312 WeakPolarHBondContact O-CA 3.31Å
313	V	85.7	Confident	84.2	Confident	29 Å²	29	73.7 Å²	73.7	18%	0.176	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-92.3	123.1	178.3	174.7	0	0	0	0	109.5	I306 L315 L327 L329	I306-V313 HydrophobicContact CB-CB 4.13Å; I306-V313 HydrophobicContact CB-CG2 4.45Å; I306-V313 HydrophobicContact CG2-CB 4.08Å; I306-V313 HydrophobicContact CG2-CG2 3.87Å; I306-V313 PolarHBondContact O-N 3.33Å; V313-L315 HydrophobicContact CG1-CD2 4.35Å; V313-L315 PolarHBondContact O-N 3.19Å; V313-L327 HydrophobicContact CG1-CD1 3.64Å; V313-L329 HydrophobicContact CG1-CD2 3.88Å; V313-L329 HydrophobicContact CG2-CD1 4.11Å; V313-L329 HydrophobicContact CG2-CD2 3.83Å
314	D	85	Confident	84	Confident	108 Å²	108	76.7 Å²	76.7	58%	0.578	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-72.5	123.7	178.3	-175.3	32.4	0	0	0	112.7	S316	D314-S316 VanDerWaalsContact CG-OG 3.3Å; D314-S316 WeakPolarHBondContact OD1-CB 3.31Å; D314-S316 PolarHBondContact OD1-N 3.3Å; D314-S316 PolarHBondContact OD1-OG 3.1Å; D314-S316 VanDerWaalsContact OD1-OG 3.13Å; D314-S316 PolarHBondContact OD2-OG 2.66Å
315	L	87.1	Confident	83.7	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.037	39%	0.387	C	S	.	.			trans	-111.4	2	173.9	-59.4	180	0	0	0	112.6	I298 P301 V304 I306 V313 R317 F318 I319 L327	I298-L315 HydrophobicContact CD1-CD1 4.05Å; I298-L315 HydrophobicContact CD1-CD2 4.01Å; P301-L315 HydrophobicContact CB-CB 4.41Å; P301-L315 HydrophobicContact CB-CD1 4.39Å; V304-L315 HydrophobicContact CG1-CD1 3.83Å; I306-L315 HydrophobicContact CD1-CD1 4.21Å; I306-L315 HydrophobicContact CG1-CD1 4.34Å; V313-L315 HydrophobicContact CG1-CD2 4.35Å; V313-L315 PolarHBondContact O-N 3.19Å; L315-R317 VanDerWaalsContact C-N 3.28Å; L315-R317 PolarHBondContact O-N 3.48Å; L315-R317 VanDerWaalsContact O-N 3.13Å; L315-F318 HydrophobicContact CB-CD2 4.5Å; L315-F318 HydrophobicContact CD2-CD2 4.11Å; L315-F318 HydrophobicContact CD2-CE2 4.32Å; L315-F318 PolarHBondContact O-N 2.9Å; L315-I319 HydrophobicContact CB-CD1 4.13Å; L315-I319 HydrophobicContact CB-CG1 4.43Å; L315-I319 PolarHBondContact O-N 2.81Å; L315-I319 VanDerWaalsContact O-N 3.1Å; L315-L327 HydrophobicContact CD2-CD1 4.26Å; L315-L327 HydrophobicContact CD2-CD2 4.1Å
316	S	78.8	Confident	83.5	Confident	34 Å²	34	78.8 Å²	78.8	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-50.7	-42.1	-171.7	71	0	0	0	0	113.6	D314 F318 I319 R320	D314-S316 VanDerWaalsContact CG-OG 3.3Å; D314-S316 WeakPolarHBondContact OD1-CB 3.31Å; D314-S316 PolarHBondContact OD1-N 3.3Å; D314-S316 PolarHBondContact OD1-OG 3.1Å; D314-S316 VanDerWaalsContact OD1-OG 3.13Å; D314-S316 PolarHBondContact OD2-OG 2.66Å; S316-F318 VanDerWaalsContact C-N 3.3Å; S316-F318 PolarHBondContact O-N 3.13Å; S316-I319 PolarHBondContact O-N 2.9Å; S316-R320 WeakPolarHBondContact O-CB 3.38Å; S316-R320 VanDerWaalsContact O-CG 3.3Å; S316-R320 WeakPolarHBondContact O-CG 3.44Å; S316-R320 PolarHBondContact O-N 3.13Å
317	R	76.6	Confident	83.2	Confident	144 Å²	144	79.5 Å²	79.5	54%	0.543	40%	0.395	S	S	.	.	H	α-helix	trans	-58.2	-36.4	176.7	63.4	179.2	177.4	166.2	-3.5	113.9	L315 T321	L315-R317 VanDerWaalsContact C-N 3.28Å; L315-R317 PolarHBondContact O-N 3.48Å; L315-R317 VanDerWaalsContact O-N 3.13Å; R317-T321 WeakPolarHBondContact O-CG2 3.48Å; R317-T321 PolarHBondContact O-N 2.87Å; R317-T321 PolarHBondContact O-OG1 3.4Å
318	F	84.7	Confident	82.9	Confident	22 Å²	22	78.6 Å²	78.6	10%	0.096	40%	0.395	C	S	.	.	H	α-helix	trans	-83.4	-34.1	-179.8	-53.8	-68.9	0	0	0	111.6	P301 L315 S316 T321 N322 Q323 A325 R326 L327	P301-F318 HydrophobicContact CB-CB 4.02Å; P301-F318 HydrophobicContact CG-CB 3.91Å; L315-F318 HydrophobicContact CB-CD2 4.5Å; L315-F318 HydrophobicContact CD2-CD2 4.11Å; L315-F318 HydrophobicContact CD2-CE2 4.32Å; L315-F318 PolarHBondContact O-N 2.9Å; S316-F318 VanDerWaalsContact C-N 3.3Å; S316-F318 PolarHBondContact O-N 3.13Å; F318-T321 WeakPolarHBondContact CA-OG1 3.36Å; F318-T321 PolarHBondContact O-OG1 3.06Å; F318-N322 PolarHBondContact O-N 3.48Å; F318-Q323 PolarHBondContact O-N 3.31Å; F318-Q323 VanDerWaalsContact O-N 3.14Å; F318-A325 HydrophobicContact CB-CB 3.77Å; F318-A325 HydrophobicContact CD1-CB 3.83Å; F318-A325 HydrophobicContact CD2-CB 3.28Å; F318-A325 HydrophobicContact CE1-CB 4.15Å; F318-A325 HydrophobicContact CE2-CB 3.63Å; F318-A325 HydrophobicContact CG-CB 3.37Å; F318-A325 HydrophobicContact CZ-CB 4.04Å; F318-R326 WeakPolarHBondContact CZ-O 3.4Å; F318-L327 HydrophobicContact CE2-CD2 4.27Å; F318-L327 HydrophobicContact CZ-CB 4.49Å
319	I	83.9	Confident	82.7	Confident	79 Å²	79	78.9 Å²	78.9	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-49	174.5	-64.2	171	0	0	0	110.1	P301 A302 L315 S316 T321 N322	P301-I319 HydrophobicContact CB-CG1 4.12Å; A302-I319 HydrophobicContact CB-CG1 4.19Å; A302-I319 HydrophobicContact CB-CG2 4.17Å; L315-I319 HydrophobicContact CB-CD1 4.13Å; L315-I319 HydrophobicContact CB-CG1 4.43Å; L315-I319 PolarHBondContact O-N 2.81Å; L315-I319 VanDerWaalsContact O-N 3.1Å; S316-I319 PolarHBondContact O-N 2.9Å; I319-T321 VanDerWaalsContact C-N 3.28Å; I319-T321 PolarHBondContact O-N 2.89Å; I319-N322 PolarHBondContact O-N 3.12Å
320	R	76.8	Confident	81.9	Confident	212 Å²	212	76.2 Å²	76.2	80%	0.8	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-30.4	179.2	-71.9	174.6	-175.8	177.6	3.5	113.8	S316	S316-R320 WeakPolarHBondContact O-CB 3.38Å; S316-R320 VanDerWaalsContact O-CG 3.3Å; S316-R320 WeakPolarHBondContact O-CG 3.44Å; S316-R320 PolarHBondContact O-N 3.13Å
321	T	76	Confident	80.6	Confident	41 Å²	41	76.4 Å²	76.4	25%	0.252	38%	0.382	S	S	.	.	H	α-helix	trans	-93.2	-6	179.3	51.2	0	0	0	0	113.5	R317 F318 I319 Q323	R317-T321 WeakPolarHBondContact O-CG2 3.48Å; R317-T321 PolarHBondContact O-N 2.87Å; R317-T321 PolarHBondContact O-OG1 3.4Å; F318-T321 WeakPolarHBondContact CA-OG1 3.36Å; F318-T321 PolarHBondContact O-OG1 3.06Å; I319-T321 VanDerWaalsContact C-N 3.28Å; I319-T321 PolarHBondContact O-N 2.89Å; T321-Q323 VanDerWaalsContact C-N 3.32Å; T321-Q323 PolarHBondContact O-N 2.92Å
322	N	80.5	Confident	79	Confident	152 Å²	152	75.2 Å²	75.2	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.2	-173.7	-164.2	34.7	0	0	0	113.4	F318 I319	F318-N322 PolarHBondContact O-N 3.48Å; I319-N322 PolarHBondContact O-N 3.12Å
323	Q	80.6	Confident	77.1	Confident	79 Å²	79	73.7 Å²	73.7	37%	0.369	36%	0.362	S	S	.	.			trans	-114.1	156.3	-177.3	-66.8	-174.8	18.4	0	0	112.7	P301 F318 T321 A325	P301-Q323 WeakPolarHBondContact CD-O 3.42Å; P301-Q323 VanDerWaalsContact CG-O 3.24Å; P301-Q323 WeakPolarHBondContact CG-O 3.25Å; F318-Q323 PolarHBondContact O-N 3.31Å; F318-Q323 VanDerWaalsContact O-N 3.14Å; T321-Q323 VanDerWaalsContact C-N 3.32Å; T321-Q323 PolarHBondContact O-N 2.92Å; Q323-A325 PolarHBondContact O-N 2.89Å; Q323-A325 VanDerWaalsContact O-N 3.16Å
324	V	88.1	Confident	75.1	Confident	70 Å²	70	75 Å²	75	42%	0.424	37%	0.373	S	S	.	.			trans	-60.7	113.2	168	176.3	0	0	0	0	109	I298 R326	I298-V324 CarbonylContact O-C 3.55Å; I298-V324 VanDerWaalsContact O-CA 3.3Å; I298-V324 WeakPolarHBondContact O-CA 3.34Å; I298-V324 WeakPolarHBondContact O-CG1 3.3Å; V324-R326 PolarHBondContact O-N 3.36Å
325	A	87.7	Confident	73.5	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.9	179.6	0	0	0	0	0	110.8	K297 I298 P301 F318 Q323 L327	K297-A325 CarbonylContact C-O 3.4Å; K297-A325 WeakPolarHBondContact CA-O 3.25Å; I298-A325 HydrophobicContact CB-CB 4.11Å; I298-A325 HydrophobicContact CD1-CB 4.1Å; I298-A325 HydrophobicContact CG1-CB 4.42Å; I298-A325 PolarHBondContact N-O 2.89Å; I298-A325 PolarHBondContact O-N 3.15Å; P301-A325 HydrophobicContact CB-CB 4.03Å; P301-A325 HydrophobicContact CG-CB 3.43Å; P301-A325 VanDerWaalsContact CG-CB 3.43Å; F318-A325 HydrophobicContact CB-CB 3.77Å; F318-A325 HydrophobicContact CD1-CB 3.83Å; F318-A325 HydrophobicContact CD2-CB 3.28Å; F318-A325 HydrophobicContact CE1-CB 4.15Å; F318-A325 HydrophobicContact CE2-CB 3.63Å; F318-A325 HydrophobicContact CG-CB 3.37Å; F318-A325 HydrophobicContact CZ-CB 4.04Å; Q323-A325 PolarHBondContact O-N 2.89Å; Q323-A325 VanDerWaalsContact O-N 3.16Å; A325-L327 HydrophobicContact CB-CD2 4.1Å
326	R	89	Confident	72.2	Confident	178 Å²	178	78.9 Å²	78.9	67%	0.672	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	115	173.3	-61.3	-174.6	-177.8	-163.9	1.4	108	L296 K297 F318 V324	L296-R326 WeakPolarHBondContact O-CA 3.46Å; K297-R326 HydrophobicContact CG-CG 4.49Å; F318-R326 WeakPolarHBondContact CZ-O 3.4Å; V324-R326 PolarHBondContact O-N 3.36Å
327	L	86.7	Confident	71.6	Confident	19 Å²	19	80.1 Å²	80.1	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.2	-176.2	64.9	154.6	0	0	0	111.6	L296 I298 V313 L315 F318 A325 L329	L296-L327 HydrophobicContact CB-CD2 3.95Å; L296-L327 HydrophobicContact CB-CG 4.12Å; L296-L327 HydrophobicContact CD2-CD2 4.44Å; L296-L327 HydrophobicContact CD2-CG 4.44Å; L296-L327 PolarHBondContact N-O 2.6Å; L296-L327 PolarHBondContact O-N 3.09Å; I298-L327 HydrophobicContact CD1-CD2 3.84Å; V313-L327 HydrophobicContact CG1-CD1 3.64Å; L315-L327 HydrophobicContact CD2-CD1 4.26Å; L315-L327 HydrophobicContact CD2-CD2 4.1Å; F318-L327 HydrophobicContact CE2-CD2 4.27Å; F318-L327 HydrophobicContact CZ-CB 4.49Å; A325-L327 HydrophobicContact CB-CD2 4.1Å; L327-L329 HydrophobicContact CD1-CD2 3.87Å; L327-L329 HydrophobicContact CD1-CG 4.2Å
328	T	83.4	Confident	71.8	Confident	66 Å²	66	81.5 Å²	81.5	41%	0.405	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	114.4	176.1	-54.9	0	0	0	0	108.5	P293 Y294 K295 A331	P293-T328 HydrophobicContact CB-CG2 3.64Å; P293-T328 HydrophobicContact CG-CG2 4.4Å; Y294-T328 CarbonylContact O-C 3.23Å; Y294-T328 VanDerWaalsContact O-CA 3.26Å; Y294-T328 WeakPolarHBondContact O-CA 3.47Å; K295-T328 HydrophobicContact CG-CG2 4.15Å; T328-A331 HydrophobicContact CG2-CB 4.26Å
329	L	80.6	Confident	72.1	Confident	14 Å²	14	80.9 Å²	80.9	7%	0.073	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.1	174.5	-60.5	174.7	0	0	0	108.9	L255 P293 Y294 L296 Y308 V313 L327 A331	L255-L329 HydrophobicContact CD1-CD1 3.48Å; L255-L329 VanDerWaalsContact CD1-CD1 3.48Å; L255-L329 HydrophobicContact CD2-CD1 4.38Å; P293-L329 CarbonylContact C-O 3.49Å; P293-L329 WeakPolarHBondContact CA-O 3.18Å; P293-L329 WeakPolarHBondContact CB-O 3.31Å; Y294-L329 PolarHBondContact N-O 3.16Å; Y294-L329 PolarHBondContact O-N 3.47Å; L296-L329 HydrophobicContact CD1-CD1 3.85Å; L296-L329 HydrophobicContact CD1-CG 4.03Å; L296-L329 HydrophobicContact CD2-CD1 3.88Å; Y308-L329 HydrophobicContact CD1-CB 4.24Å; Y308-L329 HydrophobicContact CG-CB 4.45Å; Y308-L329 HydrophobicContact CG-CD1 4.24Å; V313-L329 HydrophobicContact CG1-CD2 3.88Å; V313-L329 HydrophobicContact CG2-CD1 4.11Å; V313-L329 HydrophobicContact CG2-CD2 3.83Å; L327-L329 HydrophobicContact CD1-CD2 3.87Å; L327-L329 HydrophobicContact CD1-CG 4.2Å; L329-A331 VanDerWaalsContact C-N 3.31Å
330	N	64.3	Low	72.6	Confident	38 Å²	38	79.3 Å²	79.3	20%	0.203	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	32	-157.4	-33.4	-99.9	0	0	0	114.4	A292 P293 Y308	A292-N330 HydrophobicContact CB-CB 3.78Å; A292-N330 VanDerWaalsContact CB-ND2 3.33Å; A292-N330 WeakPolarHBondContact CB-ND2 3.38Å; P293-N330 HydrophobicContact CB-CB 4.12Å; Y308-N330 WeakPolarHBondContact CE1-ND2 3.11Å; Y308-N330 VanDerWaalsContact CE1-OD1 3.22Å; Y308-N330 WeakPolarHBondContact CE1-OD1 3.12Å; Y308-N330 VanDerWaalsContact OH-CG 3.23Å; Y308-N330 PolarHBondContact OH-ND2 2.74Å; Y308-N330 PolarHBondContact OH-OD1 2.59Å
331	A	51.1	Low	73.5	Confident	62 Å²	62	73.1 Å²	73.1	51%	0.512	39%	0.391	S	S	.	.			trans	-78.3	-3.7	140.9	0	0	0	0	0	111.5	T328 L329	T328-A331 HydrophobicContact CG2-CB 4.26Å; L329-A331 VanDerWaalsContact C-N 3.31Å
332	E	46.8	Very low	74.6	Confident	116 Å²	116	71.2 Å²	71.2	54%	0.542	38%	0.379	S	S	.	.	S	Bend	trans	-62.6	148.4	162.7	-66.5	166	117.3	0	0	109.7
333	Q	45.8	Very low	75.4	Confident	78 Å²	78	69.8 Å²	69.8	36%	0.364	36%	0.363	S	S	.	.			trans	-62.2	157.7	-174.3	-63.9	90.4	25.5	0	0	112	L585 R586 I587	Q333-L585 PolarHBondContact NE2-O 2.86Å; Q333-L585 VanDerWaalsContact NE2-O 3.1Å; Q333-R586 VanDerWaalsContact NE2-C 3.34Å; Q333-R586 PolarHBondContact NE2-O 2.91Å; Q333-R586 VanDerWaalsContact NE2-O 3.09Å; Q333-I587 HydrophobicContact CG-CD1 4.49Å; Q333-I587 HydrophobicContact CG-CG1 3.84Å
334	S	43.5	Very low	76.3	Confident	57 Å²	57	66 Å²	66	40%	0.399	35%	0.346	S	S	.	.	S	Bend	trans	-44.2	126.5	156.8	-53.4	0	0	0	0	107.7	A336 S556 E557	S334-A336 PolarHBondContact O-N 3.43Å; S334-S556 PolarHBondContact OG-O 2.95Å; S334-E557 WeakPolarHBondContact CB-O 3.23Å
335	P	51.3	Low	76.7	Confident	125 Å²	125	64.5 Å²	64.5	81%	0.812	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-55.2	117.6	-168.4	21.1	-32.8	0	0	0	108.7	Q337	P335-Q337 PolarHBondContact O-N 3.49Å
336	A	59.1	Low	77.1	Confident	71 Å²	71	70.5 Å²	70.5	59%	0.587	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-48.6	128.4	-168.8	0	0	0	0	0	109.5	S334 K338	S334-A336 PolarHBondContact O-N 3.43Å; A336-K338 PolarHBondContact O-N 3.4Å; A336-K338 VanDerWaalsContact O-N 3.15Å
337	Q	67.6	Low	77.5	Confident	60 Å²	60	63 Å²	63	28%	0.28	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-53.7	128	-170.9	179	-179.8	-14.6	0	0	108.8	P335 S339 A523 G558	P335-Q337 PolarHBondContact O-N 3.49Å; Q337-S339 PolarHBondContact O-N 3.41Å; Q337-A523 PolarHBondContact NE2-O 2.94Å; Q337-G558 PolarHBondContact N-O 2.68Å
338	K	80	Confident	78	Confident	173 Å²	173	64.1 Å²	64.1	75%	0.752	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-59.5	116.1	178.1	-172.2	-168.9	175.4	-163.8	0	108.5	A336	A336-K338 PolarHBondContact O-N 3.4Å; A336-K338 VanDerWaalsContact O-N 3.15Å
339	S	91.3	Very high	78.7	Confident	9 Å²	9	61 Å²	61	6%	0.063	34%	0.339	C	S	.	.			trans	-123.7	158.3	176.4	57	0	0	0	0	110.2	Q337 G350 D351 D527 D561	Q337-S339 PolarHBondContact O-N 3.41Å; S339-G350 WeakPolarHBondContact OG-CA 3.24Å; S339-D351 WeakPolarHBondContact O-CA 3.35Å; S339-D351 WeakPolarHBondContact O-CB 3.08Å; S339-D351 PolarHBondContact O-N 2.82Å; S339-D351 PolarHBondContact OG-N 2.89Å; S339-D527 CarbonylContact C-O 3.6Å; S339-D527 WeakPolarHBondContact CA-O 3.15Å; S339-D527 WeakPolarHBondContact CB-O 3.26Å; S339-D561 WeakPolarHBondContact CB-OD1 3.37Å; S339-D561 PolarHBondContact OG-OD1 2.98Å
340	T	94.6	Very high	79.3	Confident	46 Å²	46	60.4 Å²	60.4	28%	0.282	34%	0.336	S	S	.	.			trans	-70.6	155.8	173.8	62.7	0	0	0	0	111.3	G350 D527 P529	T340-G350 WeakPolarHBondContact O-CA 3.22Å; T340-D527 HydrophobicContact CG2-CB 4.13Å; T340-D527 PolarHBondContact N-O 2.86Å; T340-P529 WeakPolarHBondContact O-CG 3.36Å
341	R	95.8	Very high	80.6	Confident	82 Å²	82	62.3 Å²	62.3	31%	0.309	35%	0.347	S	S	.	.			trans	-83.8	131.1	173.9	-170.2	78.1	69.8	-174.7	1.7	110.1	Y343 G350 D351	R341-Y343 HydrophobicContact CG-CD2 4.23Å; R341-Y343 HydrophobicContact CG-CE2 3.63Å; R341-G350 PolarHBondContact NH1-O 3.33Å; R341-D351 HydrophobicContact CB-CB 4Å; R341-D351 IonicContact CZ-OD2 3.32Å; R341-D351 IonicContact NE-OD2 3.52Å; R341-D351 PolarHBondContact NE-OD2 2.79Å; R341-D351 VanDerWaalsContact NE-OD2 3.13Å; R341-D351 PolarHBondContact NH1-O 3.4Å; R341-D351 VanDerWaalsContact NH2-CG 3.26Å; R341-D351 PolarHBondContact NH2-O 3.38Å; R341-D351 IonicContact NH2-OD2 3.2Å; R341-D351 PolarHBondContact NH2-OD2 2.86Å
342	I	97.9	Very high	82.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.7	160.7	69.2	173.6	0	0	0	110.2	I349 P458 K504 P529	I342-I349 HydrophobicContact CD1-CB 4.5Å; I342-I349 HydrophobicContact CG1-CB 3.91Å; I342-I349 PolarHBondContact N-O 2.97Å; I342-I349 PolarHBondContact O-N 3.08Å; I342-P458 HydrophobicContact CD1-CB 4.18Å; I342-K504 HydrophobicContact CD1-CB 3.77Å; I342-K504 HydrophobicContact CD1-CD 3.89Å; I342-K504 HydrophobicContact CD1-CG 3.61Å; I342-P529 HydrophobicContact CG1-CG 4.38Å
343	Y	98.4	Very high	84.3	Confident	123 Å²	123	57.6 Å²	57.6	48%	0.482	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.8	175.2	-75	-94.3	0	0	0	111.1	R341 V347 P348 P458	R341-Y343 HydrophobicContact CG-CD2 4.23Å; R341-Y343 HydrophobicContact CG-CE2 3.63Å; Y343-V347 WeakPolarHBondContact CA-O 3.07Å; Y343-P348 HydrophobicContact CD1-CB 4.14Å; Y343-P348 HydrophobicContact CE1-CB 3.71Å; Y343-P348 HydrophobicContact CE1-CG 4.45Å; Y343-P458 WeakPolarHBondContact O-CD 3.27Å; Y343-P458 VanDerWaalsContact O-CG 3.27Å; Y343-P458 WeakPolarHBondContact O-CG 3.18Å
344	V	98.5	Very high	86.4	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	97.7	170.5	176.6	0	0	0	0	107.3	N346 V347 I349 I385 P409 D430 C431 P458	V344-N346 PolarHBondContact O-N 3.4Å; V344-V347 PolarHBondContact N-O 3.39Å; V344-V347 PolarHBondContact O-N 2.8Å; V344-I349 HydrophobicContact CB-CD1 4.27Å; V344-I349 HydrophobicContact CG2-CD1 3.55Å; V344-I349 HydrophobicContact CG2-CG1 4.48Å; V344-I385 HydrophobicContact CB-CD1 3.8Å; V344-I385 HydrophobicContact CB-CG1 4.45Å; V344-I385 HydrophobicContact CG1-CD1 3.85Å; V344-I385 HydrophobicContact CG1-CG1 4.11Å; V344-I385 HydrophobicContact CG1-CG2 4.03Å; V344-I385 HydrophobicContact CG2-CD1 4.21Å; V344-P409 HydrophobicContact CG1-CB 3.85Å; V344-P409 WeakPolarHBondContact O-CB 3.26Å; V344-P409 VanDerWaalsContact O-CG 3.26Å; V344-P409 WeakPolarHBondContact O-CG 3.1Å; V344-D430 HydrophobicContact CG1-CB 4.14Å; V344-C431 HydrophobicContact CB-CB 4.43Å; V344-C431 HydrophobicContact CG1-CB 3.7Å; V344-C431 HydrophobicContact CG2-CB 3.99Å; V344-P458 HydrophobicContact CG2-CG 3.88Å
345	G	97.2	Very high	88.8	Confident	38 Å²	38	56.1 Å²	56.1	39%	0.392	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-118.2	-166.4	0	0	0	0	0	109.6
346	N	96.3	Very high	91	Very high	125 Å²	125	50.2 Å²	50.2	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.2	175.3	66.2	-24.1	0	0	0	114.7	V344 P348 P409	V344-N346 PolarHBondContact O-N 3.4Å; N346-P348 WeakPolarHBondContact O-CD 3.35Å; N346-P409 VanDerWaalsContact OD1-CG 3.3Å; N346-P409 WeakPolarHBondContact OD1-CG 3.18Å
347	V	97.8	Very high	92.8	Very high	22 Å²	22	46.8 Å²	46.8	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.3	-176.3	174.6	0	0	0	0	110.9	Y343 V344 I349 A356 D384 I385 P409	Y343-V347 WeakPolarHBondContact CA-O 3.07Å; V344-V347 PolarHBondContact N-O 3.39Å; V344-V347 PolarHBondContact O-N 2.8Å; V347-I349 HydrophobicContact CG1-CG1 4.49Å; V347-A356 HydrophobicContact CG1-CB 3.97Å; V347-D384 HydrophobicContact CG1-CB 4.33Å; V347-D384 HydrophobicContact CG2-CB 4.37Å; V347-D384 WeakPolarHBondContact CG2-O 3.41Å; V347-I385 HydrophobicContact CB-CD1 4.25Å; V347-I385 HydrophobicContact CB-CG1 4.21Å; V347-I385 HydrophobicContact CG1-CD1 3.92Å; V347-I385 HydrophobicContact CG1-CG1 4.16Å; V347-I385 HydrophobicContact CG2-CG1 4.36Å; V347-P409 HydrophobicContact CG2-CG 4.07Å
348	P	97.5	Very high	94.3	Very high	42 Å²	42	44 Å²	44	27%	0.273	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.9	173	30.2	-34	0	0	0	110.8	Y343 N346 A353	Y343-P348 HydrophobicContact CD1-CB 4.14Å; Y343-P348 HydrophobicContact CE1-CB 3.71Å; Y343-P348 HydrophobicContact CE1-CG 4.45Å; N346-P348 WeakPolarHBondContact O-CD 3.35Å; P348-A353 HydrophobicContact CB-CB 4.2Å; P348-A353 HydrophobicContact CG-CB 4.35Å
349	I	97	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.2	173.1	-49.7	179	0	0	0	107.7	I342 V344 V347 I385 K504 P529 D561 T562	I342-I349 HydrophobicContact CD1-CB 4.5Å; I342-I349 HydrophobicContact CG1-CB 3.91Å; I342-I349 PolarHBondContact N-O 2.97Å; I342-I349 PolarHBondContact O-N 3.08Å; V344-I349 HydrophobicContact CB-CD1 4.27Å; V344-I349 HydrophobicContact CG2-CD1 3.55Å; V344-I349 HydrophobicContact CG2-CG1 4.48Å; V347-I349 HydrophobicContact CG1-CG1 4.49Å; I349-I385 HydrophobicContact CD1-CD1 3.7Å; I349-I385 HydrophobicContact CG1-CD1 4.43Å; I349-K504 HydrophobicContact CD1-CD 4.13Å; I349-K504 VanDerWaalsContact CD1-NZ 3.31Å; I349-P529 HydrophobicContact CG2-CB 3.86Å; I349-P529 HydrophobicContact CG2-CG 4.46Å; I349-D561 HydrophobicContact CG2-CB 3.7Å; I349-T562 HydrophobicContact CD1-CG2 4.2Å; I349-T562 HydrophobicContact CG2-CG2 3.79Å
350	G	94.3	Very high	95.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	80.6	178.1	-176.4	0	0	0	0	0	114.2	S339 T340 R341 G352 A353 D561	S339-G350 WeakPolarHBondContact OG-CA 3.24Å; T340-G350 WeakPolarHBondContact O-CA 3.22Å; R341-G350 PolarHBondContact NH1-O 3.33Å; G350-G352 VanDerWaalsContact C-N 3.29Å; G350-G352 PolarHBondContact O-N 2.66Å; G350-A353 VanDerWaalsContact O-CB 3.25Å; G350-A353 WeakPolarHBondContact O-CB 3.42Å; G350-A353 PolarHBondContact O-N 2.9Å; G350-D561 WeakPolarHBondContact CA-OD1 3.48Å
351	D	91	Very high	95.7	Very high	78 Å²	78	35 Å²	35	42%	0.417	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	45.7	176.1	-178.8	41.8	0	0	0	112.3	S339 R341 A353	S339-D351 WeakPolarHBondContact O-CA 3.35Å; S339-D351 WeakPolarHBondContact O-CB 3.08Å; S339-D351 PolarHBondContact O-N 2.82Å; S339-D351 PolarHBondContact OG-N 2.89Å; R341-D351 HydrophobicContact CB-CB 4Å; R341-D351 IonicContact CZ-OD2 3.32Å; R341-D351 IonicContact NE-OD2 3.52Å; R341-D351 PolarHBondContact NE-OD2 2.79Å; R341-D351 VanDerWaalsContact NE-OD2 3.13Å; R341-D351 PolarHBondContact NH1-O 3.4Å; R341-D351 VanDerWaalsContact NH2-CG 3.26Å; R341-D351 PolarHBondContact NH2-O 3.38Å; R341-D351 IonicContact NH2-OD2 3.2Å; R341-D351 PolarHBondContact NH2-OD2 2.86Å; D351-A353 VanDerWaalsContact C-N 3.32Å; D351-A353 PolarHBondContact O-N 3.43Å
352	G	85	Confident	95.8	Very high	66 Å²	66	36.1 Å²	36.1	68%	0.68	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	21.4	-178.7	0	0	0	0	0	115.4	G350	G350-G352 VanDerWaalsContact C-N 3.29Å; G350-G352 PolarHBondContact O-N 2.66Å
353	A	89.9	Confident	95.8	Very high	14 Å²	14	37.7 Å²	37.7	12%	0.116	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-58.3	147.7	167	0	0	0	0	0	111.4	P348 G350 D351 I355	P348-A353 HydrophobicContact CB-CB 4.2Å; P348-A353 HydrophobicContact CG-CB 4.35Å; G350-A353 VanDerWaalsContact O-CB 3.25Å; G350-A353 WeakPolarHBondContact O-CB 3.42Å; G350-A353 PolarHBondContact O-N 2.9Å; D351-A353 VanDerWaalsContact C-N 3.32Å; D351-A353 PolarHBondContact O-N 3.43Å; A353-I355 PolarHBondContact O-N 2.89Å
354	P	91.4	Very high	95.8	Very high	87 Å²	87	41.1 Å²	41.1	57%	0.565	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-58.1	123.6	166.5	-20.9	32.6	0	0	0	110.1	A356	P354-A356 PolarHBondContact O-N 2.89Å; P354-A356 VanDerWaalsContact O-N 3.07Å
355	I	94.1	Very high	95.8	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-54.8	117.2	-172.3	-61	-175.7	0	0	0	111	A353 L555 G560 D561 L563 L582 I587 R588	A353-I355 PolarHBondContact O-N 2.89Å; I355-L555 HydrophobicContact CD1-CD2 3.46Å; I355-L555 VanDerWaalsContact CD1-CD2 3.46Å; I355-G560 WeakPolarHBondContact CD1-O 3.47Å; I355-D561 WeakPolarHBondContact CA-O 3.5Å; I355-L563 HydrophobicContact CG2-CD2 4.26Å; I355-L563 HydrophobicContact CG2-CG 4.44Å; I355-L582 HydrophobicContact CB-CD1 4.21Å; I355-L582 HydrophobicContact CB-CD2 4.06Å; I355-L582 HydrophobicContact CD1-CD2 4.06Å; I355-L582 HydrophobicContact CG2-CD1 4.2Å; I355-L582 HydrophobicContact CG2-CD2 4.05Å; I355-I587 HydrophobicContact CD1-CD1 4.47Å; I355-I587 HydrophobicContact CD1-CG2 3.72Å; I355-I587 HydrophobicContact CG1-CG2 4.07Å; I355-R588 WeakPolarHBondContact O-CD 3.25Å; I355-R588 PolarHBondContact O-NH1 3.12Å
356	A	96.4	Very high	95.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.9	-175.7	0	0	0	0	0	111.6	V347 P354 D384 I385 D561 T562 L563	V347-A356 HydrophobicContact CG1-CB 3.97Å; P354-A356 PolarHBondContact O-N 2.89Å; P354-A356 VanDerWaalsContact O-N 3.07Å; A356-D384 WeakPolarHBondContact CA-OD2 3.43Å; A356-D384 HydrophobicContact CB-CB 4.09Å; A356-I385 HydrophobicContact CB-CD1 4.38Å; A356-D561 PolarHBondContact N-O 3.4Å; A356-T562 CarbonylContact O-C 3.55Å; A356-T562 WeakPolarHBondContact O-CA 3.02Å; A356-T562 WeakPolarHBondContact O-CB 3.46Å; A356-T562 PolarHBondContact O-OG1 2.87Å; A356-L563 PolarHBondContact O-N 3.46Å
357	V	97.2	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.9	178.4	-177.2	0	0	0	0	108.9	D384 L563 I575 F579 L582	V357-D384 PolarHBondContact N-OD2 3.42Å; V357-D384 PolarHBondContact O-N 2.94Å; V357-L563 HydrophobicContact CG1-CD1 4.11Å; V357-L563 HydrophobicContact CG2-CD1 4.34Å; V357-I575 HydrophobicContact CG1-CD1 3.88Å; V357-I575 HydrophobicContact CG1-CG2 4.39Å; V357-F579 HydrophobicContact CB-CD2 4.48Å; V357-F579 HydrophobicContact CB-CE1 4.32Å; V357-F579 HydrophobicContact CB-CE2 4.01Å; V357-F579 HydrophobicContact CB-CZ 3.9Å; V357-F579 HydrophobicContact CG1-CD2 4.4Å; V357-F579 HydrophobicContact CG1-CE2 4.26Å; V357-F579 HydrophobicContact CG2-CD1 3.88Å; V357-F579 HydrophobicContact CG2-CD2 4.31Å; V357-F579 HydrophobicContact CG2-CE1 3.66Å; V357-F579 HydrophobicContact CG2-CE2 4.11Å; V357-F579 HydrophobicContact CG2-CG 4.19Å; V357-F579 HydrophobicContact CG2-CZ 3.77Å; V357-L582 HydrophobicContact CG2-CD1 3.56Å
358	Q	98.4	Very high	96	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.5	-178.5	-39.2	-172.2	-6.3	0	0	111.8	I385 H531 T562 L563 R564	Q358-I385 VanDerWaalsContact CA-O 3.28Å; Q358-I385 WeakPolarHBondContact CA-O 3.42Å; Q358-I385 HydrophobicContact CB-CB 4.46Å; Q358-I385 WeakPolarHBondContact CB-O 3.28Å; Q358-I385 HydrophobicContact CG-CB 3.96Å; Q358-I385 HydrophobicContact CG-CD1 4.47Å; Q358-I385 HydrophobicContact CG-CG2 4.44Å; Q358-H531 PolarHBondContact OE1-CE1 3.15Å; Q358-H531 VanDerWaalsContact OE1-CE1 3.29Å; Q358-H531 PolarHBondContact OE1-ND1 3.47Å; Q358-T562 WeakPolarHBondContact CG-OG1 3.25Å; Q358-T562 PolarHBondContact NE2-OG1 3.08Å; Q358-L563 PolarHBondContact N-O 3.43Å; Q358-R564 HydrophobicContact CB-CB 4.47Å; Q358-R564 WeakPolarHBondContact O-CA 3.44Å; Q358-R564 WeakPolarHBondContact O-CB 3.35Å; Q358-R564 WeakPolarHBondContact O-CG 3.27Å
359	S	98.4	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-179	168.5	-179.1	0	0	0	0	110.6	I385 R387 P571 E574 I575	S359-I385 PolarHBondContact N-O 2.87Å; S359-R387 PolarHBondContact O-N 3.01Å; S359-P571 WeakPolarHBondContact OG-CB 3.26Å; S359-P571 PolarHBondContact OG-O 2.87Å; S359-P571 VanDerWaalsContact OG-O 3.12Å; S359-E574 PolarHBondContact OG-OE2 3.2Å; S359-I575 VanDerWaalsContact CB-CD1 3.45Å
360	M	98.5	Very high	96.1	Very high	32 Å²	32	44.7 Å²	44.7	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.5	176.8	-175.2	-179.1	-175.1	0	0	110.6	R387 D413 P571	M360-R387 CarbonylContact C-O 3.28Å; M360-R387 VanDerWaalsContact CA-O 3.27Å; M360-R387 WeakPolarHBondContact CA-O 3.49Å; M360-R387 HydrophobicContact CB-CB 4.07Å; M360-R387 HydrophobicContact CE-CG 4.41Å; M360-R387 HydrophobicContact CG-CB 3.98Å; M360-R387 HydrophobicContact CG-CG 4.02Å; M360-R387 WeakPolarHBondContact CG-O 3.41Å; M360-R387 HydrophobicContact SD-CG 4.4Å; M360-R387 PolarHBondContact SD-NE 3.17Å; M360-R387 PolarHBondContact SD-NH2 3.33Å; M360-D413 HydrophobicContact CE-CB 4.38Å; M360-P571 WeakPolarHBondContact O-CG 3.36Å
361	T	98.6	Very high	96.3	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.043	25%	0.252	C	S	.	.			trans	-67.8	142.6	173.6	62.1	0	0	0	0	111.3	T371 Q374 I375 V386 R387 V388	T361-T371 HydrophobicContact CG2-CG2 4.14Å; T361-Q374 VanDerWaalsContact CB-OE1 3.28Å; T361-I375 HydrophobicContact CG2-CD1 4.36Å; T361-I375 HydrophobicContact CG2-CG1 3.73Å; T361-V386 HydrophobicContact CG2-CG1 3.9Å; T361-R387 PolarHBondContact N-O 3.19Å; T361-V388 HydrophobicContact CG2-CG2 4.19Å
362	N	97.4	Very high	96.7	Very high	105 Å²	105	41 Å²	41	56%	0.561	23%	0.232	S	C	*	.			trans	-110.4	0	173.5	68.8	7.7	0	0	0	113.1	Q374 P571	N362-Q374 PolarHBondContact OD1-NE2 3.48Å; N362-Q374 PolarHBondContact OD1-OE1 2.9Å; N362-P571 HydrophobicContact CB-CG 4.38Å; N362-P571 WeakPolarHBondContact ND2-CD 3.19Å
363	T	98.2	Very high	97.4	Very high	34 Å²	34	42.4 Å²	42.4	21%	0.209	23%	0.225	C	C	.	.	S	Bend	trans	-64.9	160.3	167.8	54	0	0	0	0	112	T365 A370 T371 Q374	T363-T365 PolarHBondContact O-N 3.2Å; T363-A370 HydrophobicContact CG2-CB 3.88Å; T363-T371 WeakPolarHBondContact CB-OG1 3.22Å; T363-T371 WeakPolarHBondContact OG1-CA 3.49Å; T363-T371 WeakPolarHBondContact OG1-CB 3.48Å; T363-T371 PolarHBondContact OG1-OG1 2.88Å; T363-Q374 HydrophobicContact CG2-CB 4.21Å
364	R	98.2	Very high	97.8	Very high	195 Å²	195	43 Å²	43	74%	0.736	23%	0.225	S	C	*	.			trans	-72.8	119.2	164.8	-68.3	179.4	62.8	154.6	-0.1	108.2	T366 D367 T371	R364-T366 PolarHBondContact O-N 3.01Å; R364-D367 WeakPolarHBondContact O-CA 3.26Å; R364-D367 WeakPolarHBondContact O-CB 3.43Å; R364-D367 PolarHBondContact O-N 3.08Å; R364-T371 PolarHBondContact O-OG1 2.8Å
365	T	98.6	Very high	98.1	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.5	-179.7	-49.9	0	0	0	0	113.9	T363 D367 V388 S389 A395 A398 I402	T363-T365 PolarHBondContact O-N 3.2Å; T365-D367 PolarHBondContact O-N 3.32Å; T365-V388 HydrophobicContact CG2-CG1 3.5Å; T365-V388 VanDerWaalsContact CG2-CG1 3.5Å; T365-V388 WeakPolarHBondContact OG1-CG1 3.49Å; T365-S389 WeakPolarHBondContact CB-O 3.39Å; T365-S389 PolarHBondContact OG1-O 3.26Å; T365-A395 HydrophobicContact CG2-CB 4.21Å; T365-A395 WeakPolarHBondContact CG2-O 3.38Å; T365-A398 WeakPolarHBondContact O-CB 3.47Å; T365-I402 HydrophobicContact CG2-CD1 3.8Å; T365-I402 WeakPolarHBondContact O-CD1 3.33Å
366	T	98.6	Very high	98.3	Very high	63 Å²	63	41.6 Å²	41.6	39%	0.387	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.9	173.5	55.2	0	0	0	0	113.7	R364 V368 D394	R364-T366 PolarHBondContact O-N 3.01Å; T366-V368 PolarHBondContact O-N 2.94Å; T366-D394 HydrophobicContact CG2-CB 4.19Å
367	D	98.6	Very high	98.3	Very high	78 Å²	78	42.7 Å²	42.7	42%	0.417	22%	0.218	S	C	.	.			trans	-86.2	90.7	167.2	-172.8	-22.1	0	0	0	108.5	R364 T365 E369 A370 T371	R364-D367 WeakPolarHBondContact O-CA 3.26Å; R364-D367 WeakPolarHBondContact O-CB 3.43Å; R364-D367 PolarHBondContact O-N 3.08Å; T365-D367 PolarHBondContact O-N 3.32Å; D367-E369 VanDerWaalsContact C-N 3.33Å; D367-E369 PolarHBondContact O-N 3.48Å; D367-E369 PolarHBondContact OD1-N 3.27Å; D367-A370 HydrophobicContact CB-CB 4.15Å; D367-A370 WeakPolarHBondContact OD1-CB 3.4Å; D367-A370 PolarHBondContact OD1-N 3.23Å; D367-A370 WeakPolarHBondContact OD2-CB 3.22Å; D367-T371 VanDerWaalsContact O-CB 3.25Å; D367-T371 WeakPolarHBondContact O-CB 3.28Å; D367-T371 PolarHBondContact O-N 3.43Å; D367-T371 PolarHBondContact O-OG1 3.07Å
368	V	98.6	Very high	98.2	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-37.7	-177.6	174.3	0	0	0	0	111.2	T366 V372 A398 L401 I402	T366-V368 PolarHBondContact O-N 2.94Å; V368-V372 HydrophobicContact CG1-CG2 4.28Å; V368-V372 VanDerWaalsContact O-CB 3.28Å; V368-V372 WeakPolarHBondContact O-CB 3.22Å; V368-V372 WeakPolarHBondContact O-CG2 3.43Å; V368-V372 PolarHBondContact O-N 2.65Å; V368-A398 HydrophobicContact CG2-CB 3.82Å; V368-L401 HydrophobicContact CG1-CB 3.98Å; V368-L401 HydrophobicContact CG2-CB 4.14Å; V368-L401 HydrophobicContact CG2-CD1 4.26Å; V368-I402 HydrophobicContact CB-CG1 4.41Å; V368-I402 HydrophobicContact CG1-CG1 4.05Å; V368-I402 HydrophobicContact CG2-CG1 4.36Å
369	E	98.7	Very high	98	Very high	98 Å²	98	44.9 Å²	44.9	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-71.4	-49.5	-179	-66	-50.8	134	0	0	111.7	D367 T371 V372 N373 R405	D367-E369 VanDerWaalsContact C-N 3.33Å; D367-E369 PolarHBondContact O-N 3.48Å; D367-E369 PolarHBondContact OD1-N 3.27Å; E369-T371 VanDerWaalsContact C-N 3.27Å; E369-T371 PolarHBondContact O-N 3.14Å; E369-V372 PolarHBondContact O-N 2.76Å; E369-N373 VanDerWaalsContact O-CB 3.3Å; E369-N373 WeakPolarHBondContact O-CB 3.48Å; E369-N373 PolarHBondContact O-N 3.34Å; E369-N373 PolarHBondContact O-ND2 3.26Å; E369-R405 IonicContact OE1-CZ 2.68Å; E369-R405 IonicContact OE1-NH1 2.82Å; E369-R405 PolarHBondContact OE1-NH1 3.03Å; E369-R405 IonicContact OE1-NH2 2.73Å; E369-R405 PolarHBondContact OE1-NH2 2.92Å; E369-R405 VanDerWaalsContact OE1-NH2 3.15Å; E369-R405 IonicContact OE2-CZ 2.73Å; E369-R405 IonicContact OE2-NH1 2.72Å; E369-R405 PolarHBondContact OE2-NH1 3.03Å; E369-R405 VanDerWaalsContact OE2-NH1 3.12Å; E369-R405 IonicContact OE2-NH2 2.72Å; E369-R405 PolarHBondContact OE2-NH2 3.26Å
370	A	98.7	Very high	97.6	Very high	32 Å²	32	53 Å²	53	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177	0	0	0	0	0	111.2	T363 D367 N373 Q374	T363-A370 HydrophobicContact CG2-CB 3.88Å; D367-A370 HydrophobicContact CB-CB 4.15Å; D367-A370 WeakPolarHBondContact OD1-CB 3.4Å; D367-A370 PolarHBondContact OD1-N 3.23Å; D367-A370 WeakPolarHBondContact OD2-CB 3.22Å; A370-N373 PolarHBondContact O-N 2.72Å; A370-Q374 WeakPolarHBondContact O-CB 3.25Å; A370-Q374 PolarHBondContact O-N 3.22Å
371	T	98.8	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-43.5	-178.6	-51.7	0	0	0	0	112.1	T361 T363 R364 D367 E369 N373 Q374 I375 V388 I402	T361-T371 HydrophobicContact CG2-CG2 4.14Å; T363-T371 WeakPolarHBondContact CB-OG1 3.22Å; T363-T371 WeakPolarHBondContact OG1-CA 3.49Å; T363-T371 WeakPolarHBondContact OG1-CB 3.48Å; T363-T371 PolarHBondContact OG1-OG1 2.88Å; R364-T371 PolarHBondContact O-OG1 2.8Å; D367-T371 VanDerWaalsContact O-CB 3.25Å; D367-T371 WeakPolarHBondContact O-CB 3.28Å; D367-T371 PolarHBondContact O-N 3.43Å; D367-T371 PolarHBondContact O-OG1 3.07Å; E369-T371 VanDerWaalsContact C-N 3.27Å; E369-T371 PolarHBondContact O-N 3.14Å; T371-N373 VanDerWaalsContact C-N 3.34Å; T371-N373 PolarHBondContact O-N 3.29Å; T371-Q374 PolarHBondContact O-N 2.75Å; T371-I375 HydrophobicContact CG2-CD1 4Å; T371-I375 WeakPolarHBondContact O-CD1 3.17Å; T371-I375 VanDerWaalsContact O-CG1 3.24Å; T371-I375 WeakPolarHBondContact O-CG1 3.47Å; T371-I375 PolarHBondContact O-N 2.99Å; T371-V388 HydrophobicContact CG2-CG1 4.25Å; T371-I402 HydrophobicContact CG2-CD1 3.63Å; T371-I402 HydrophobicContact CG2-CG1 4.35Å; T371-I402 HydrophobicContact CG2-CG2 4.48Å
372	V	98.8	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-39.6	173.7	166.9	0	0	0	0	111.5	V368 E369 I375 K376 I402 R405 V406	V368-V372 HydrophobicContact CG1-CG2 4.28Å; V368-V372 VanDerWaalsContact O-CB 3.28Å; V368-V372 WeakPolarHBondContact O-CB 3.22Å; V368-V372 WeakPolarHBondContact O-CG2 3.43Å; V368-V372 PolarHBondContact O-N 2.65Å; E369-V372 PolarHBondContact O-N 2.76Å; V372-I375 PolarHBondContact O-N 3.21Å; V372-K376 HydrophobicContact CG1-CD 3.97Å; V372-K376 WeakPolarHBondContact O-CB 3.11Å; V372-K376 WeakPolarHBondContact O-CG 3.32Å; V372-K376 PolarHBondContact O-N 3.05Å; V372-I402 HydrophobicContact CG2-CB 4.25Å; V372-I402 HydrophobicContact CG2-CG1 4.11Å; V372-I402 HydrophobicContact CG2-CG2 4.11Å; V372-R405 HydrophobicContact CG1-CB 4.12Å; V372-R405 HydrophobicContact CG2-CB 3.93Å; V372-V406 HydrophobicContact CB-CG1 4.42Å; V372-V406 HydrophobicContact CG1-CG1 4.09Å; V372-V406 HydrophobicContact CG2-CG1 4.17Å
373	N	98.6	Very high	96.6	Very high	97 Å²	97	47.8 Å²	47.8	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-39.7	177.9	-72.8	-33.3	0	0	0	112.3	E369 A370 T371 K376 A377	E369-N373 VanDerWaalsContact O-CB 3.3Å; E369-N373 WeakPolarHBondContact O-CB 3.48Å; E369-N373 PolarHBondContact O-N 3.34Å; E369-N373 PolarHBondContact O-ND2 3.26Å; A370-N373 PolarHBondContact O-N 2.72Å; T371-N373 VanDerWaalsContact C-N 3.34Å; T371-N373 PolarHBondContact O-N 3.29Å; N373-K376 PolarHBondContact O-N 3.33Å; N373-A377 PolarHBondContact O-N 3.46Å
374	Q	98.7	Very high	96.5	Very high	26 Å²	26	47.3 Å²	47.3	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-40.2	174.3	-174.4	167.2	78.4	0	0	112.1	T361 N362 T363 A370 T371 K376 A377 L378	T361-Q374 VanDerWaalsContact CB-OE1 3.28Å; N362-Q374 PolarHBondContact OD1-NE2 3.48Å; N362-Q374 PolarHBondContact OD1-OE1 2.9Å; T363-Q374 HydrophobicContact CG2-CB 4.21Å; A370-Q374 WeakPolarHBondContact O-CB 3.25Å; A370-Q374 PolarHBondContact O-N 3.22Å; T371-Q374 PolarHBondContact O-N 2.75Å; Q374-K376 VanDerWaalsContact C-N 3.31Å; Q374-K376 PolarHBondContact O-N 3.04Å; Q374-A377 WeakPolarHBondContact O-CB 3.31Å; Q374-A377 PolarHBondContact O-N 2.85Å; Q374-L378 WeakPolarHBondContact O-CG 3.03Å; Q374-L378 PolarHBondContact O-N 3.46Å
375	I	98.7	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-42.3	173.3	-66.6	160.8	0	0	0	110.5	T361 T371 V372 A377 L378 E379 V386 V388 I402 V406 V408 L410	T361-I375 HydrophobicContact CG2-CD1 4.36Å; T361-I375 HydrophobicContact CG2-CG1 3.73Å; T371-I375 HydrophobicContact CG2-CD1 4Å; T371-I375 WeakPolarHBondContact O-CD1 3.17Å; T371-I375 VanDerWaalsContact O-CG1 3.24Å; T371-I375 WeakPolarHBondContact O-CG1 3.47Å; T371-I375 PolarHBondContact O-N 2.99Å; V372-I375 PolarHBondContact O-N 3.21Å; I375-A377 VanDerWaalsContact C-N 3.3Å; I375-A377 PolarHBondContact O-N 3.2Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CB 3.4Å; I375-L378 PolarHBondContact O-N 2.9Å; I375-L378 VanDerWaalsContact O-N 3.15Å; I375-E379 HydrophobicContact CG2-CG 4.38Å; I375-E379 WeakPolarHBondContact O-CG 3.38Å; I375-E379 PolarHBondContact O-N 3.33Å; I375-V386 HydrophobicContact CG1-CG1 4.02Å; I375-V386 HydrophobicContact CG2-CG2 4.49Å; I375-V388 HydrophobicContact CD1-CG2 4.09Å; I375-I402 HydrophobicContact CD1-CG2 3.36Å; I375-V406 HydrophobicContact CB-CG1 3.95Å; I375-V406 HydrophobicContact CD1-CG1 4.19Å; I375-V406 HydrophobicContact CG2-CB 3.77Å; I375-V406 HydrophobicContact CG2-CG1 3.63Å; I375-V406 HydrophobicContact CG2-CG2 4.15Å; I375-V408 HydrophobicContact CG2-CG1 3.47Å; I375-V408 VanDerWaalsContact CG2-CG1 3.47Å; I375-L410 HydrophobicContact CD1-CD2 4.14Å; I375-L410 HydrophobicContact CG2-CD2 4.49Å
376	K	97.9	Very high	96.6	Very high	74 Å²	74	37.6 Å²	37.6	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-67.8	-26	176.5	-76	172.8	-179.4	173.3	0	114	V372 N373 Q374 E379 R380 R405	V372-K376 HydrophobicContact CG1-CD 3.97Å; V372-K376 WeakPolarHBondContact O-CB 3.11Å; V372-K376 WeakPolarHBondContact O-CG 3.32Å; V372-K376 PolarHBondContact O-N 3.05Å; N373-K376 PolarHBondContact O-N 3.33Å; Q374-K376 VanDerWaalsContact C-N 3.31Å; Q374-K376 PolarHBondContact O-N 3.04Å; K376-E379 WeakPolarHBondContact CG-OE2 3.4Å; K376-R380 PolarHBondContact O-N 2.91Å; K376-R405 WeakPolarHBondContact CE-O 3.25Å; K376-R405 PolarHBondContact NZ-O 3.05Å
377	A	96	Very high	96.6	Very high	24 Å²	24	36.1 Å²	36.1	20%	0.198	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-43.5	169.2	0	0	0	0	0	111.4	N373 Q374 I375 R380 V381 V572	N373-A377 PolarHBondContact O-N 3.46Å; Q374-A377 WeakPolarHBondContact O-CB 3.31Å; Q374-A377 PolarHBondContact O-N 2.85Å; I375-A377 VanDerWaalsContact C-N 3.3Å; I375-A377 PolarHBondContact O-N 3.2Å; A377-R380 PolarHBondContact O-N 3.02Å; A377-V381 PolarHBondContact O-N 3.32Å; A377-V572 HydrophobicContact CB-CG2 4.01Å
378	L	96.2	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-42.3	175.1	-68.4	171.2	0	0	0	112.6	Q374 I375 R380 V381 G382 A383 V386 P571 V572 I575	Q374-L378 WeakPolarHBondContact O-CG 3.03Å; Q374-L378 PolarHBondContact O-N 3.46Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CB 3.4Å; I375-L378 PolarHBondContact O-N 2.9Å; I375-L378 VanDerWaalsContact O-N 3.15Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 3.2Å; L378-V381 WeakPolarHBondContact O-CG2 3.15Å; L378-V381 PolarHBondContact O-N 3.04Å; L378-G382 PolarHBondContact O-N 3.43Å; L378-G382 VanDerWaalsContact O-N 3.13Å; L378-A383 HydrophobicContact CB-CB 3.95Å; L378-A383 VanDerWaalsContact O-CB 3.28Å; L378-A383 WeakPolarHBondContact O-CB 3.35Å; L378-A383 PolarHBondContact O-N 3.35Å; L378-V386 HydrophobicContact CB-CG2 3.95Å; L378-V386 HydrophobicContact CD1-CB 4.48Å; L378-V386 HydrophobicContact CD1-CG1 3.65Å; L378-V386 HydrophobicContact CD1-CG2 3.92Å; L378-P571 HydrophobicContact CD1-CB 4.36Å; L378-P571 HydrophobicContact CD2-CB 3.97Å; L378-P571 WeakPolarHBondContact CD2-O 3.22Å; L378-V572 HydrophobicContact CD2-CG2 4.43Å; L378-I575 HydrophobicContact CD2-CG1 3.71Å
379	E	93.7	Very high	96.6	Very high	47 Å²	47	33.2 Å²	33.2	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-45.3	172.4	-78.4	177.2	158.4	0	0	111.4	I375 K376 V381 G382 N407 V408	I375-E379 HydrophobicContact CG2-CG 4.38Å; I375-E379 WeakPolarHBondContact O-CG 3.38Å; I375-E379 PolarHBondContact O-N 3.33Å; K376-E379 WeakPolarHBondContact CG-OE2 3.4Å; E379-V381 PolarHBondContact O-N 3.42Å; E379-G382 WeakPolarHBondContact O-CA 3.31Å; E379-G382 PolarHBondContact O-N 2.87Å; E379-N407 PolarHBondContact OE1-N 3.19Å; E379-V408 HydrophobicContact CG-CB 3.79Å; E379-V408 HydrophobicContact CG-CG1 3.75Å; E379-V408 PolarHBondContact OE1-N 2.75Å
380	R	90.6	Very high	96.6	Very high	170 Å²	170	28.6 Å²	28.6	64%	0.642	15%	0.145	S	C	*	.	H	α-helix	trans	-62.6	-43.8	-177.7	-169.4	-176.1	-57.7	106.6	5.1	112.8	K376 A377 L378 G382	K376-R380 PolarHBondContact O-N 2.91Å; A377-R380 PolarHBondContact O-N 3.02Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 3.2Å; R380-G382 PolarHBondContact O-N 2.77Å
381	V	88.4	Confident	96.5	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.152	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.2	174.3	-61.6	0	0	0	0	113.4	A377 L378 E379 V572 I575	A377-V381 PolarHBondContact O-N 3.32Å; L378-V381 WeakPolarHBondContact O-CG2 3.15Å; L378-V381 PolarHBondContact O-N 3.04Å; E379-V381 PolarHBondContact O-N 3.42Å; V381-V572 HydrophobicContact CG1-CG1 3.9Å; V381-V572 HydrophobicContact CG2-CG1 4.07Å; V381-V572 HydrophobicContact CG2-CG2 4.42Å; V381-I575 HydrophobicContact CB-CG2 4.4Å; V381-I575 HydrophobicContact CG2-CB 3.87Å; V381-I575 HydrophobicContact CG2-CG1 4.25Å; V381-I575 HydrophobicContact CG2-CG2 3.84Å; V381-I575 WeakPolarHBondContact O-CG2 3.24Å
382	G	90.1	Very high	96.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	25	165.2	0	0	0	0	0	116.6	L378 E379 R380 D384 F579 R590	L378-G382 PolarHBondContact O-N 3.43Å; L378-G382 VanDerWaalsContact O-N 3.13Å; E379-G382 WeakPolarHBondContact O-CA 3.31Å; E379-G382 PolarHBondContact O-N 2.87Å; R380-G382 PolarHBondContact O-N 2.77Å; G382-D384 PolarHBondContact O-N 3.24Å; G382-F579 VanDerWaalsContact O-CE2 3.26Å; G382-F579 WeakPolarHBondContact O-CE2 3.4Å; G382-F579 WeakPolarHBondContact O-CZ 3.46Å; G382-R590 PolarHBondContact O-NH1 3.07Å
383	A	94.3	Very high	96.4	Very high	9 Å²	9	37.6 Å²	37.6	7%	0.074	20%	0.195	C	C	.	.			trans	-54.4	128	169.9	0	0	0	0	0	110.8	L378 V386 I575	L378-A383 HydrophobicContact CB-CB 3.95Å; L378-A383 VanDerWaalsContact O-CB 3.28Å; L378-A383 WeakPolarHBondContact O-CB 3.35Å; L378-A383 PolarHBondContact O-N 3.35Å; A383-V386 HydrophobicContact CB-CG2 3.95Å; A383-I575 HydrophobicContact CB-CD1 3.49Å; A383-I575 VanDerWaalsContact CB-CD1 3.49Å; A383-I575 HydrophobicContact CB-CG1 3.93Å
384	D	97	Very high	96.3	Very high	23 Å²	23	38.5 Å²	38.5	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-80.4	-31.8	177	-53.3	-74.1	0	0	0	111.3	V347 A356 V357 G382 V408 R588	V347-D384 HydrophobicContact CG1-CB 4.33Å; V347-D384 HydrophobicContact CG2-CB 4.37Å; V347-D384 WeakPolarHBondContact CG2-O 3.41Å; A356-D384 WeakPolarHBondContact CA-OD2 3.43Å; A356-D384 HydrophobicContact CB-CB 4.09Å; V357-D384 PolarHBondContact N-OD2 3.42Å; V357-D384 PolarHBondContact O-N 2.94Å; G382-D384 PolarHBondContact O-N 3.24Å; D384-V408 VanDerWaalsContact O-CG2 3.26Å; D384-V408 WeakPolarHBondContact O-CG2 3.21Å; D384-R588 IonicContact OD1-CZ 2.59Å; D384-R588 IonicContact OD1-NH1 3.78Å; D384-R588 PolarHBondContact OD1-NH1 3.35Å; D384-R588 IonicContact OD1-NH2 3.66Å; D384-R588 PolarHBondContact OD1-NH2 3.09Å; D384-R588 IonicContact OD2-CZ 3.3Å; D384-R588 IonicContact OD2-NH1 3.63Å; D384-R588 PolarHBondContact OD2-NH1 2.94Å; D384-R588 IonicContact OD2-NH2 2.75Å
385	I	98.6	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.5	-176.9	-59.9	167.3	0	0	0	108.4	V344 V347 I349 A356 Q358 S359 P409 V411	V344-I385 HydrophobicContact CB-CD1 3.8Å; V344-I385 HydrophobicContact CB-CG1 4.45Å; V344-I385 HydrophobicContact CG1-CD1 3.85Å; V344-I385 HydrophobicContact CG1-CG1 4.11Å; V344-I385 HydrophobicContact CG1-CG2 4.03Å; V344-I385 HydrophobicContact CG2-CD1 4.21Å; V347-I385 HydrophobicContact CB-CD1 4.25Å; V347-I385 HydrophobicContact CB-CG1 4.21Å; V347-I385 HydrophobicContact CG1-CD1 3.92Å; V347-I385 HydrophobicContact CG1-CG1 4.16Å; V347-I385 HydrophobicContact CG2-CG1 4.36Å; I349-I385 HydrophobicContact CD1-CD1 3.7Å; I349-I385 HydrophobicContact CG1-CD1 4.43Å; A356-I385 HydrophobicContact CB-CD1 4.38Å; Q358-I385 VanDerWaalsContact CA-O 3.28Å; Q358-I385 WeakPolarHBondContact CA-O 3.42Å; Q358-I385 HydrophobicContact CB-CB 4.46Å; Q358-I385 WeakPolarHBondContact CB-O 3.28Å; Q358-I385 HydrophobicContact CG-CB 3.96Å; Q358-I385 HydrophobicContact CG-CD1 4.47Å; Q358-I385 HydrophobicContact CG-CG2 4.44Å; S359-I385 PolarHBondContact N-O 2.87Å; I385-P409 WeakPolarHBondContact CA-O 3.48Å; I385-P409 HydrophobicContact CG1-CB 4.42Å; I385-V411 HydrophobicContact CG2-CG2 3.52Å
386	V	98.8	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.1	177.1	-179.2	0	0	0	0	111.3	T361 I375 L378 A383 V408 P409 L410 V411	T361-V386 HydrophobicContact CG2-CG1 3.9Å; I375-V386 HydrophobicContact CG1-CG1 4.02Å; I375-V386 HydrophobicContact CG2-CG2 4.49Å; L378-V386 HydrophobicContact CB-CG2 3.95Å; L378-V386 HydrophobicContact CD1-CB 4.48Å; L378-V386 HydrophobicContact CD1-CG1 3.65Å; L378-V386 HydrophobicContact CD1-CG2 3.92Å; A383-V386 HydrophobicContact CB-CG2 3.95Å; V386-V408 HydrophobicContact CB-CG1 4.18Å; V386-V408 HydrophobicContact CG2-CG1 3.82Å; V386-V408 HydrophobicContact CG2-CG2 4.2Å; V386-P409 PolarHBondContact N-O 3.04Å; V386-L410 HydrophobicContact CB-CD2 4.21Å; V386-L410 CarbonylContact O-C 3.5Å; V386-L410 VanDerWaalsContact O-CA 3.29Å; V386-L410 WeakPolarHBondContact O-CA 3.4Å; V386-V411 PolarHBondContact O-N 2.8Å
387	R	98.8	Very high	96.3	Very high	31 Å²	31	37.1 Å²	37.1	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.2	174.8	-178	168	67.3	157	-2.7	111.9	S359 M360 T361 V411 D413	S359-R387 PolarHBondContact O-N 3.01Å; M360-R387 CarbonylContact C-O 3.28Å; M360-R387 VanDerWaalsContact CA-O 3.27Å; M360-R387 WeakPolarHBondContact CA-O 3.49Å; M360-R387 HydrophobicContact CB-CB 4.07Å; M360-R387 HydrophobicContact CE-CG 4.41Å; M360-R387 HydrophobicContact CG-CB 3.98Å; M360-R387 HydrophobicContact CG-CG 4.02Å; M360-R387 WeakPolarHBondContact CG-O 3.41Å; M360-R387 HydrophobicContact SD-CG 4.4Å; M360-R387 PolarHBondContact SD-NE 3.17Å; M360-R387 PolarHBondContact SD-NH2 3.33Å; T361-R387 PolarHBondContact N-O 3.19Å; R387-V411 CarbonylContact C-O 3.48Å; R387-V411 WeakPolarHBondContact CA-O 3.45Å; R387-V411 HydrophobicContact CB-CB 4.09Å; R387-V411 HydrophobicContact CG-CB 4.15Å; R387-V411 HydrophobicContact CG-CG1 4.19Å; R387-D413 VanDerWaalsContact CD-OD2 3.25Å; R387-D413 WeakPolarHBondContact CD-OD2 3.45Å; R387-D413 HydrophobicContact CG-CB 4.03Å; R387-D413 IonicContact CZ-OD2 2.87Å; R387-D413 IonicContact NE-OD2 2.72Å; R387-D413 PolarHBondContact NE-OD2 2.88Å; R387-D413 IonicContact NH1-OD2 2.79Å; R387-D413 PolarHBondContact NH1-OD2 3.14Å
388	V	98.7	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.2	176.2	-176	0	0	0	0	109	T361 T365 T371 I375 F399 L410 V411 D413	T361-V388 HydrophobicContact CG2-CG2 4.19Å; T365-V388 HydrophobicContact CG2-CG1 3.5Å; T365-V388 VanDerWaalsContact CG2-CG1 3.5Å; T365-V388 WeakPolarHBondContact OG1-CG1 3.49Å; T371-V388 HydrophobicContact CG2-CG1 4.25Å; I375-V388 HydrophobicContact CD1-CG2 4.09Å; V388-F399 HydrophobicContact CB-CD2 4.11Å; V388-F399 HydrophobicContact CB-CE2 4.07Å; V388-F399 HydrophobicContact CG1-CD2 4.17Å; V388-F399 HydrophobicContact CG2-CE2 4.4Å; V388-L410 HydrophobicContact CG2-CD2 4.39Å; V388-V411 PolarHBondContact N-O 3.27Å; V388-D413 PolarHBondContact O-N 3.16Å
389	S	98.1	Very high	96.6	Very high	41 Å²	41	36.4 Å²	36.4	29%	0.287	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.7	178.7	-170.7	0	0	0	0	111.2	T365 P391	T365-S389 WeakPolarHBondContact CB-O 3.39Å; T365-S389 PolarHBondContact OG1-O 3.26Å; S389-P391 VanDerWaalsContact C-CD 3.48Å; S389-P391 WeakPolarHBondContact O-CD 3.42Å
390	V	98.4	Very high	96.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.191	C	C	.	.			trans	-126.4	74.3	179.1	-163.8	0	0	0	0	110.5	A395 A396 F399 A412 D413 I414 I420 V424	V390-A395 HydrophobicContact CG1-CB 4.08Å; V390-A396 HydrophobicContact CG1-CB 3.89Å; V390-F399 HydrophobicContact CG2-CB 4.48Å; V390-F399 HydrophobicContact CG2-CD2 3.96Å; V390-F399 HydrophobicContact CG2-CG 4.38Å; V390-A412 HydrophobicContact CG2-CB 3.85Å; V390-D413 PolarHBondContact N-O 3.46Å; V390-I414 HydrophobicContact CB-CG1 4.08Å; V390-I420 HydrophobicContact CB-CG2 4.12Å; V390-I420 HydrophobicContact CG1-CG2 3.45Å; V390-I420 VanDerWaalsContact CG1-CG2 3.45Å; V390-V424 HydrophobicContact CG1-CG1 4.02Å; V390-V424 HydrophobicContact CG2-CG1 4.41Å
391	P	96.4	Very high	97.2	Very high	92 Å²	92	33.2 Å²	33.2	60%	0.597	18%	0.182	S	C	*	.			trans	-82.9	-16.7	-174.1	33.1	-37.4	0	0	0	114.8	S389 A395	S389-P391 VanDerWaalsContact C-CD 3.48Å; S389-P391 WeakPolarHBondContact O-CD 3.42Å; P391-A395 HydrophobicContact CG-CB 4.48Å
392	T	97.9	Very high	97.7	Very high	59 Å²	59	32 Å²	32	36%	0.362	18%	0.175	S	C	.	.	S	Bend	trans	-139	167	-176.4	67.1	0	0	0	0	111.3	D394 A395 A396	T392-D394 VanDerWaalsContact C-N 3.32Å; T392-A395 WeakPolarHBondContact O-CB 3.35Å; T392-A395 PolarHBondContact O-N 2.81Å; T392-A395 PolarHBondContact OG1-N 2.82Å; T392-A396 PolarHBondContact O-N 2.98Å
393	M	97.7	Very high	98.1	Very high	69 Å²	69	34.1 Å²	34.1	34%	0.34	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-35.6	174.5	-163.9	62.3	63.9	0	0	112	A395 A396 E397 R419 I420 K423	M393-A395 PolarHBondContact O-N 3.03Å; M393-A396 WeakPolarHBondContact O-CA 3.45Å; M393-A396 WeakPolarHBondContact O-CB 3.38Å; M393-A396 PolarHBondContact O-N 3.2Å; M393-A396 HydrophobicContact SD-CB 4.2Å; M393-E397 PolarHBondContact O-N 3.12Å; M393-R419 HydrophobicContact CE-CB 4.15Å; M393-I420 HydrophobicContact CE-CG1 4.15Å; M393-K423 HydrophobicContact CE-CG 4.33Å; M393-K423 HydrophobicContact SD-CB 4.09Å; M393-K423 HydrophobicContact SD-CG 3.86Å
394	D	98.2	Very high	98.2	Very high	116 Å²	116	40.4 Å²	40.4	62%	0.62	21%	0.212	S	C	*	.	H	α-helix	trans	-60.5	-36.5	173.9	-37.4	-44.7	0	0	0	111.5	T366 T392 A396 A398	T366-D394 HydrophobicContact CG2-CB 4.19Å; T392-D394 VanDerWaalsContact C-N 3.32Å; D394-A396 VanDerWaalsContact C-N 3.3Å; D394-A396 PolarHBondContact O-N 3.36Å; D394-A398 WeakPolarHBondContact O-CB 3.49Å; D394-A398 PolarHBondContact O-N 3.42Å
395	A	98.4	Very high	98.3	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-26.3	173.2	0	0	0	0	0	112.5	T365 V390 P391 T392 M393 F399	T365-A395 HydrophobicContact CG2-CB 4.21Å; T365-A395 WeakPolarHBondContact CG2-O 3.38Å; V390-A395 HydrophobicContact CG1-CB 4.08Å; P391-A395 HydrophobicContact CG-CB 4.48Å; T392-A395 WeakPolarHBondContact O-CB 3.35Å; T392-A395 PolarHBondContact O-N 2.81Å; T392-A395 PolarHBondContact OG1-N 2.82Å; M393-A395 PolarHBondContact O-N 3.03Å; A395-F399 VanDerWaalsContact O-CB 3.22Å; A395-F399 WeakPolarHBondContact O-CB 3.38Å; A395-F399 PolarHBondContact O-N 3.47Å
396	A	98.4	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-76.2	-40.8	174.6	0	0	0	0	0	112.3	V390 T392 M393 D394 A398 F399 K400 I420 V424	V390-A396 HydrophobicContact CG1-CB 3.89Å; T392-A396 PolarHBondContact O-N 2.98Å; M393-A396 WeakPolarHBondContact O-CA 3.45Å; M393-A396 WeakPolarHBondContact O-CB 3.38Å; M393-A396 PolarHBondContact O-N 3.2Å; M393-A396 HydrophobicContact SD-CB 4.2Å; D394-A396 VanDerWaalsContact C-N 3.3Å; D394-A396 PolarHBondContact O-N 3.36Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A396-F399 WeakPolarHBondContact O-CB 3.43Å; A396-F399 PolarHBondContact O-N 2.93Å; A396-K400 PolarHBondContact O-N 3.37Å; A396-K400 VanDerWaalsContact O-N 3.1Å; A396-I420 HydrophobicContact CB-CG2 4.28Å; A396-V424 HydrophobicContact CB-CG1 4.02Å
397	E	98.5	Very high	98.1	Very high	70 Å²	70	51 Å²	51	33%	0.327	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-34.7	171.1	-64.5	-53.7	140.9	0	0	111.7	M393 K400 Y427	M393-E397 PolarHBondContact O-N 3.12Å; E397-K400 WeakPolarHBondContact O-CB 3.41Å; E397-K400 IonicContact OE2-NZ 3.33Å; E397-K400 PolarHBondContact OE2-NZ 3.08Å; E397-Y427 VanDerWaalsContact CD-OH 3.25Å; E397-Y427 VanDerWaalsContact OE1-CE2 3.23Å; E397-Y427 WeakPolarHBondContact OE1-CE2 3.33Å; E397-Y427 VanDerWaalsContact OE1-CZ 3.26Å; E397-Y427 PolarHBondContact OE1-OH 2.77Å; E397-Y427 PolarHBondContact OE2-OH 2.68Å
398	A	98.6	Very high	98	Very high	8 Å²	8	50 Å²	50	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-39.5	170.8	0	0	0	0	0	112.2	T365 V368 D394 A396 K400 L401 I402	T365-A398 WeakPolarHBondContact O-CB 3.47Å; V368-A398 HydrophobicContact CG2-CB 3.82Å; D394-A398 WeakPolarHBondContact O-CB 3.49Å; D394-A398 PolarHBondContact O-N 3.42Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A398-K400 VanDerWaalsContact C-N 3.29Å; A398-K400 PolarHBondContact O-N 3.12Å; A398-L401 PolarHBondContact O-N 3.39Å; A398-L401 VanDerWaalsContact O-N 3.1Å; A398-I402 WeakPolarHBondContact O-CG1 3.48Å; A398-I402 PolarHBondContact O-N 2.81Å
399	F	98.6	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-39.5	176	-177.5	-85.3	0	0	0	112.4	V388 V390 A395 A396 L401 I402 K403 L410 A412 V424 V429	V388-F399 HydrophobicContact CB-CD2 4.11Å; V388-F399 HydrophobicContact CB-CE2 4.07Å; V388-F399 HydrophobicContact CG1-CD2 4.17Å; V388-F399 HydrophobicContact CG2-CE2 4.4Å; V390-F399 HydrophobicContact CG2-CB 4.48Å; V390-F399 HydrophobicContact CG2-CD2 3.96Å; V390-F399 HydrophobicContact CG2-CG 4.38Å; A395-F399 VanDerWaalsContact O-CB 3.22Å; A395-F399 WeakPolarHBondContact O-CB 3.38Å; A395-F399 PolarHBondContact O-N 3.47Å; A396-F399 WeakPolarHBondContact O-CB 3.43Å; A396-F399 PolarHBondContact O-N 2.93Å; F399-L401 PolarHBondContact O-N 3.34Å; F399-I402 WeakPolarHBondContact O-CB 3.43Å; F399-I402 PolarHBondContact O-N 3.45Å; F399-K403 HydrophobicContact CE1-CB 4.29Å; F399-K403 WeakPolarHBondContact O-CB 3.3Å; F399-K403 PolarHBondContact O-N 3.35Å; F399-L410 HydrophobicContact CE2-CB 3.97Å; F399-L410 HydrophobicContact CE2-CD1 3.93Å; F399-L410 HydrophobicContact CZ-CB 3.64Å; F399-L410 HydrophobicContact CZ-CD1 3.83Å; F399-L410 HydrophobicContact CZ-CG 4.42Å; F399-A412 HydrophobicContact CE2-CB 4.34Å; F399-A412 HydrophobicContact CZ-CB 4.47Å; F399-V424 HydrophobicContact CB-CG1 4.5Å; F399-V424 HydrophobicContact CD1-CB 4.26Å; F399-V424 HydrophobicContact CD1-CG1 4.04Å; F399-V424 HydrophobicContact CE1-CB 4.43Å; F399-V424 HydrophobicContact CG-CG1 4.28Å; F399-V429 HydrophobicContact CE1-CB 3.84Å; F399-V429 HydrophobicContact CE1-CG2 4.05Å; F399-V429 HydrophobicContact CZ-CB 4.03Å; F399-V429 HydrophobicContact CZ-CG2 3.71Å
400	K	98.5	Very high	98.1	Very high	64 Å²	64	48.3 Å²	48.3	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-55.5	-47.3	172.5	-177.3	-173.2	-170.9	167.4	0	112.5	A396 E397 A398 Q404 Y427	A396-K400 PolarHBondContact O-N 3.37Å; A396-K400 VanDerWaalsContact O-N 3.1Å; E397-K400 WeakPolarHBondContact O-CB 3.41Å; E397-K400 IonicContact OE2-NZ 3.33Å; E397-K400 PolarHBondContact OE2-NZ 3.08Å; A398-K400 VanDerWaalsContact C-N 3.29Å; A398-K400 PolarHBondContact O-N 3.12Å; K400-Q404 VanDerWaalsContact O-CG 3.32Å; K400-Q404 WeakPolarHBondContact O-CG 3.49Å; K400-Q404 PolarHBondContact O-N 3.48Å; K400-Y427 HydrophobicContact CB-CD2 3.66Å; K400-Y427 HydrophobicContact CB-CE2 4.28Å; K400-Y427 HydrophobicContact CB-CG 3.87Å; K400-Y427 HydrophobicContact CD-CD1 3.91Å; K400-Y427 HydrophobicContact CD-CD2 3.84Å; K400-Y427 HydrophobicContact CD-CE1 3.93Å; K400-Y427 HydrophobicContact CD-CE2 3.82Å; K400-Y427 HydrophobicContact CD-CG 3.88Å; K400-Y427 HydrophobicContact CG-CD1 4.13Å; K400-Y427 HydrophobicContact CG-CD2 3.99Å; K400-Y427 HydrophobicContact CG-CE2 4.48Å; K400-Y427 HydrophobicContact CG-CG 3.79Å; K400-Y427 PolarHBondContact NZ-OH 3.17Å
401	L	98.5	Very high	98.1	Very high	87 Å²	87	48.2 Å²	48.2	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-69.8	-32.4	177.7	-60.9	175.1	0	0	0	112.3	V368 A398 F399 R405	V368-L401 HydrophobicContact CG1-CB 3.98Å; V368-L401 HydrophobicContact CG2-CB 4.14Å; V368-L401 HydrophobicContact CG2-CD1 4.26Å; A398-L401 PolarHBondContact O-N 3.39Å; A398-L401 VanDerWaalsContact O-N 3.1Å; F399-L401 PolarHBondContact O-N 3.34Å; L401-R405 WeakPolarHBondContact O-CD 3.33Å; L401-R405 WeakPolarHBondContact O-CG 3.26Å
402	I	98.7	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-50.4	173.7	-67.5	159.8	0	0	0	110.4	T365 V368 T371 V372 I375 A398 F399 Q404 R405 V406 L410	T365-I402 HydrophobicContact CG2-CD1 3.8Å; T365-I402 WeakPolarHBondContact O-CD1 3.33Å; V368-I402 HydrophobicContact CB-CG1 4.41Å; V368-I402 HydrophobicContact CG1-CG1 4.05Å; V368-I402 HydrophobicContact CG2-CG1 4.36Å; T371-I402 HydrophobicContact CG2-CD1 3.63Å; T371-I402 HydrophobicContact CG2-CG1 4.35Å; T371-I402 HydrophobicContact CG2-CG2 4.48Å; V372-I402 HydrophobicContact CG2-CB 4.25Å; V372-I402 HydrophobicContact CG2-CG1 4.11Å; V372-I402 HydrophobicContact CG2-CG2 4.11Å; I375-I402 HydrophobicContact CD1-CG2 3.36Å; A398-I402 WeakPolarHBondContact O-CG1 3.48Å; A398-I402 PolarHBondContact O-N 2.81Å; F399-I402 WeakPolarHBondContact O-CB 3.43Å; F399-I402 PolarHBondContact O-N 3.45Å; I402-Q404 PolarHBondContact O-N 3.4Å; I402-R405 PolarHBondContact O-N 3.4Å; I402-V406 PolarHBondContact O-N 2.96Å; I402-L410 HydrophobicContact CG2-CD1 4.07Å
403	K	98.3	Very high	98.2	Very high	45 Å²	45	41.4 Å²	41.4	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-28.6	-179.1	178.5	57.8	-173.5	178.9	0	112.9	F399 R405 L410 G428 D430	F399-K403 HydrophobicContact CE1-CB 4.29Å; F399-K403 WeakPolarHBondContact O-CB 3.3Å; F399-K403 PolarHBondContact O-N 3.35Å; K403-R405 VanDerWaalsContact C-N 3.26Å; K403-R405 PolarHBondContact O-N 2.69Å; K403-L410 HydrophobicContact CB-CD1 4.08Å; K403-L410 HydrophobicContact CD-CD1 4.03Å; K403-L410 HydrophobicContact CD-CG 4.35Å; K403-G428 VanDerWaalsContact CE-O 3.27Å; K403-G428 WeakPolarHBondContact CE-O 3.42Å; K403-D430 WeakPolarHBondContact CE-OD2 3.37Å; K403-D430 IonicContact NZ-OD1 2.69Å; K403-D430 PolarHBondContact NZ-OD1 3.34Å; K403-D430 IonicContact NZ-OD2 3.15Å; K403-D430 PolarHBondContact NZ-OD2 2.97Å
404	Q	97.8	Very high	98.2	Very high	141 Å²	141	38.2 Å²	38.2	66%	0.659	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.6	174.1	-72.2	172.6	-10.7	0	0	114.5	K400 I402	K400-Q404 VanDerWaalsContact O-CG 3.32Å; K400-Q404 WeakPolarHBondContact O-CG 3.49Å; K400-Q404 PolarHBondContact O-N 3.48Å; I402-Q404 PolarHBondContact O-N 3.4Å
405	R	98.2	Very high	97.8	Very high	91 Å²	91	37.3 Å²	37.3	34%	0.343	18%	0.179	S	C	.	.	S	Bend	trans	-125.9	3.7	-169.2	-66.3	179.8	69.8	-144.8	6.2	115	E369 V372 K376 L401 I402 K403	E369-R405 IonicContact OE1-CZ 2.68Å; E369-R405 IonicContact OE1-NH1 2.82Å; E369-R405 PolarHBondContact OE1-NH1 3.03Å; E369-R405 IonicContact OE1-NH2 2.73Å; E369-R405 PolarHBondContact OE1-NH2 2.92Å; E369-R405 VanDerWaalsContact OE1-NH2 3.15Å; E369-R405 IonicContact OE2-CZ 2.73Å; E369-R405 IonicContact OE2-NH1 2.72Å; E369-R405 PolarHBondContact OE2-NH1 3.03Å; E369-R405 VanDerWaalsContact OE2-NH1 3.12Å; E369-R405 IonicContact OE2-NH2 2.72Å; E369-R405 PolarHBondContact OE2-NH2 3.26Å; V372-R405 HydrophobicContact CG1-CB 4.12Å; V372-R405 HydrophobicContact CG2-CB 3.93Å; K376-R405 WeakPolarHBondContact CE-O 3.25Å; K376-R405 PolarHBondContact NZ-O 3.05Å; L401-R405 WeakPolarHBondContact O-CD 3.33Å; L401-R405 WeakPolarHBondContact O-CG 3.26Å; I402-R405 PolarHBondContact O-N 3.4Å; K403-R405 VanDerWaalsContact C-N 3.26Å; K403-R405 PolarHBondContact O-N 2.69Å
406	V	97.9	Very high	97.5	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.055	21%	0.207	C	C	.	.			trans	-135	155.4	-178.5	-55.3	0	0	0	0	109.9	V372 I375 I402 L410	V372-V406 HydrophobicContact CB-CG1 4.42Å; V372-V406 HydrophobicContact CG1-CG1 4.09Å; V372-V406 HydrophobicContact CG2-CG1 4.17Å; I375-V406 HydrophobicContact CB-CG1 3.95Å; I375-V406 HydrophobicContact CD1-CG1 4.19Å; I375-V406 HydrophobicContact CG2-CB 3.77Å; I375-V406 HydrophobicContact CG2-CG1 3.63Å; I375-V406 HydrophobicContact CG2-CG2 4.15Å; I402-V406 PolarHBondContact O-N 2.96Å; V406-L410 HydrophobicContact CG2-CD1 3.87Å; V406-L410 HydrophobicContact CG2-CD2 4.1Å; V406-L410 HydrophobicContact CG2-CG 4.14Å
407	N	95.5	Very high	97.3	Very high	145 Å²	145	45.8 Å²	45.8	78%	0.775	22%	0.218	S	C	*	.			trans	-104.8	-28.4	-175.4	-61.9	-57.4	0	0	0	112.6	E379	E379-N407 PolarHBondContact OE1-N 3.19Å
408	V	97.4	Very high	97.2	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	21%	0.213	C	C	.	.	S	Bend	trans	-64.6	139.5	178.7	68.2	0	0	0	0	111.8	I375 E379 D384 V386 L410	I375-V408 HydrophobicContact CG2-CG1 3.47Å; I375-V408 VanDerWaalsContact CG2-CG1 3.47Å; E379-V408 HydrophobicContact CG-CB 3.79Å; E379-V408 HydrophobicContact CG-CG1 3.75Å; E379-V408 PolarHBondContact OE1-N 2.75Å; D384-V408 VanDerWaalsContact O-CG2 3.26Å; D384-V408 WeakPolarHBondContact O-CG2 3.21Å; V386-V408 HydrophobicContact CB-CG1 4.18Å; V386-V408 HydrophobicContact CG2-CG1 3.82Å; V386-V408 HydrophobicContact CG2-CG2 4.2Å; V408-L410 HydrophobicContact CG1-CD2 4.17Å; V408-L410 PolarHBondContact O-N 2.9Å
409	P	98.6	Very high	97.1	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.026	23%	0.234	C	C	.	.			trans	-56.2	132.9	171.3	-28.2	36.1	0	0	0	113	V344 N346 V347 I385 V386 D430	V344-P409 HydrophobicContact CG1-CB 3.85Å; V344-P409 WeakPolarHBondContact O-CB 3.26Å; V344-P409 VanDerWaalsContact O-CG 3.26Å; V344-P409 WeakPolarHBondContact O-CG 3.1Å; N346-P409 VanDerWaalsContact OD1-CG 3.3Å; N346-P409 WeakPolarHBondContact OD1-CG 3.18Å; V347-P409 HydrophobicContact CG2-CG 4.07Å; I385-P409 WeakPolarHBondContact CA-O 3.48Å; I385-P409 HydrophobicContact CG1-CB 4.42Å; V386-P409 PolarHBondContact N-O 3.04Å; P409-D430 HydrophobicContact CB-CB 3.79Å
410	L	98.8	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.9	-176.6	-61.5	-174.1	0	0	0	112.1	I375 V386 V388 F399 I402 K403 V406 V408 V429 D430 C431	I375-L410 HydrophobicContact CD1-CD2 4.14Å; I375-L410 HydrophobicContact CG2-CD2 4.49Å; V386-L410 HydrophobicContact CB-CD2 4.21Å; V386-L410 CarbonylContact O-C 3.5Å; V386-L410 VanDerWaalsContact O-CA 3.29Å; V386-L410 WeakPolarHBondContact O-CA 3.4Å; V388-L410 HydrophobicContact CG2-CD2 4.39Å; F399-L410 HydrophobicContact CE2-CB 3.97Å; F399-L410 HydrophobicContact CE2-CD1 3.93Å; F399-L410 HydrophobicContact CZ-CB 3.64Å; F399-L410 HydrophobicContact CZ-CD1 3.83Å; F399-L410 HydrophobicContact CZ-CG 4.42Å; I402-L410 HydrophobicContact CG2-CD1 4.07Å; K403-L410 HydrophobicContact CB-CD1 4.08Å; K403-L410 HydrophobicContact CD-CD1 4.03Å; K403-L410 HydrophobicContact CD-CG 4.35Å; V406-L410 HydrophobicContact CG2-CD1 3.87Å; V406-L410 HydrophobicContact CG2-CD2 4.1Å; V406-L410 HydrophobicContact CG2-CG 4.14Å; V408-L410 HydrophobicContact CG1-CD2 4.17Å; V408-L410 PolarHBondContact O-N 2.9Å; L410-V429 WeakPolarHBondContact O-CG2 3.34Å; L410-D430 PolarHBondContact N-OD2 3.1Å; L410-D430 PolarHBondContact O-N 3.48Å; L410-C431 PolarHBondContact O-N 2.99Å
411	V	98.8	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.9	167.8	-179.3	0	0	0	0	109	I385 V386 R387 V388 C431 R433	I385-V411 HydrophobicContact CG2-CG2 3.52Å; V386-V411 PolarHBondContact O-N 2.8Å; R387-V411 CarbonylContact C-O 3.48Å; R387-V411 WeakPolarHBondContact CA-O 3.45Å; R387-V411 HydrophobicContact CB-CB 4.09Å; R387-V411 HydrophobicContact CG-CB 4.15Å; R387-V411 HydrophobicContact CG-CG1 4.19Å; V388-V411 PolarHBondContact N-O 3.27Å; V411-C431 VanDerWaalsContact CA-O 3.29Å; V411-C431 WeakPolarHBondContact CA-O 3.34Å; V411-C431 HydrophobicContact CG2-CB 3.98Å; V411-R433 HydrophobicContact CG1-CB 3.95Å
412	A	98.7	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	126	168.1	0	0	0	0	0	110.1	V390 F399 I414 V424 V429 C431 R433	V390-A412 HydrophobicContact CG2-CB 3.85Å; F399-A412 HydrophobicContact CE2-CB 4.34Å; F399-A412 HydrophobicContact CZ-CB 4.47Å; A412-I414 HydrophobicContact CB-CD1 4.13Å; A412-I414 HydrophobicContact CB-CG1 4.41Å; A412-V424 HydrophobicContact CB-CB 4.29Å; A412-V424 HydrophobicContact CB-CG1 4.42Å; A412-V424 HydrophobicContact CB-CG2 3.81Å; A412-V429 HydrophobicContact CB-CG2 3.66Å; A412-C431 PolarHBondContact N-O 3.31Å; A412-C431 VanDerWaalsContact N-O 3.08Å; A412-R433 PolarHBondContact O-N 3.06Å
413	D	98.2	Very high	97	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.043	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113	174.6	-153.3	-25.9	0	0	0	110.7	M360 R387 V388 V390 H415 R433	M360-D413 HydrophobicContact CE-CB 4.38Å; R387-D413 VanDerWaalsContact CD-OD2 3.25Å; R387-D413 WeakPolarHBondContact CD-OD2 3.45Å; R387-D413 HydrophobicContact CG-CB 4.03Å; R387-D413 IonicContact CZ-OD2 2.87Å; R387-D413 IonicContact NE-OD2 2.72Å; R387-D413 PolarHBondContact NE-OD2 2.88Å; R387-D413 IonicContact NH1-OD2 2.79Å; R387-D413 PolarHBondContact NH1-OD2 3.14Å; V388-D413 PolarHBondContact O-N 3.16Å; V390-D413 PolarHBondContact N-O 3.46Å; D413-H415 IonicContact OD1-CD2 2.69Å; D413-H415 IonicContact OD1-NE2 3.57Å; D413-R433 WeakPolarHBondContact OD1-CD 3.37Å; D413-R433 IonicContact OD1-CZ 2.88Å; D413-R433 IonicContact OD1-NE 3.84Å; D413-R433 IonicContact OD1-NH1 3.5Å; D413-R433 PolarHBondContact OD1-NH1 3.27Å; D413-R433 IonicContact OD2-NH1 3.62Å
414	I	96.6	Very high	97	Very high	2 Å²	2	47 Å²	47	1%	0.01	21%	0.214	C	C	.	.			trans	-132.4	126.8	-172.6	-62.7	169.7	0	0	0	108.9	V390 A412 I420 A421 V424 L432 R433 I434	V390-I414 HydrophobicContact CB-CG1 4.08Å; A412-I414 HydrophobicContact CB-CD1 4.13Å; A412-I414 HydrophobicContact CB-CG1 4.41Å; I414-I420 HydrophobicContact CD1-CB 4.39Å; I414-I420 HydrophobicContact CD1-CG2 3.74Å; I414-I420 HydrophobicContact CG1-CG2 4Å; I414-I420 HydrophobicContact CG2-CB 4.47Å; I414-A421 HydrophobicContact CD1-CB 4.02Å; I414-V424 HydrophobicContact CD1-CG2 3.62Å; I414-L432 HydrophobicContact CD1-CD2 4.31Å; I414-R433 PolarHBondContact N-O 2.72Å; I414-R433 VanDerWaalsContact O-O 3.14Å; I414-I434 HydrophobicContact CB-CG2 3.97Å; I414-I434 HydrophobicContact CG2-CG2 4.25Å
415	H	90.9	Very high	97	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	-95.4	-38.1	-172.8	-71.2	-177.5	0	0	0	114.6	D413 R433 N438	D413-H415 IonicContact OD1-CD2 2.69Å; D413-H415 IonicContact OD1-NE2 3.57Å; H415-R433 PolarHBondContact CD2-NH1 2.73Å; H415-R433 PolarHBondContact NE2-NH1 3.41Å; H415-N438 WeakPolarHBondContact O-CB 3.36Å
416	F	91.3	Very high	96.9	Very high	138 Å²	138	41 Å²	41	61%	0.605	19%	0.19	S	C	*	.	S	Bend	trans	-143.1	-44.9	-167	-53.1	-68.2	0	0	0	115.1	Y418 N438	F416-Y418 PolarHBondContact O-N 3.29Å; F416-N438 HydrophobicContact CD1-CB 3.96Å; F416-N438 HydrophobicContact CE1-CB 4.23Å
417	D	94	Very high	96.9	Very high	42 Å²	42	42.2 Å²	42.2	23%	0.225	19%	0.194	C	C	.	.			trans	-84.4	105.2	-168.7	-164.3	-19.1	0	0	0	112.8	R419 I420 A421	D417-R419 PolarHBondContact O-N 3.39Å; D417-R419 VanDerWaalsContact O-N 3.12Å; D417-R419 VanDerWaalsContact OD1-CB 3.25Å; D417-R419 WeakPolarHBondContact OD1-CB 3.24Å; D417-R419 WeakPolarHBondContact OD1-CG 3.27Å; D417-R419 IonicContact OD1-CZ 2.75Å; D417-R419 PolarHBondContact OD1-N 2.69Å; D417-R419 IonicContact OD1-NE 3.72Å; D417-R419 PolarHBondContact OD1-NE 3.18Å; D417-R419 IonicContact OD1-NH2 3.99Å; D417-R419 IonicContact OD2-CZ 3.4Å; D417-R419 IonicContact OD2-NE 3.22Å; D417-R419 PolarHBondContact OD2-NE 3Å; D417-R419 IonicContact OD2-NH2 3.47Å; D417-R419 PolarHBondContact OD2-NH2 2.69Å; D417-I420 HydrophobicContact CB-CB 4.48Å; D417-I420 HydrophobicContact CB-CD1 3.92Å; D417-I420 HydrophobicContact CB-CG1 3.96Å; D417-I420 WeakPolarHBondContact O-CB 3.25Å; D417-I420 PolarHBondContact O-N 3.44Å; D417-A421 PolarHBondContact O-N 3.44Å
418	Y	96.3	Very high	97	Very high	56 Å²	56	37 Å²	37	22%	0.22	17%	0.174	C	C	.	.	H	α-helix	trans	-53	-30.6	175.4	83.3	-80	0	0	0	113.5	F416 I420 A421 L422 R444 M447	F416-Y418 PolarHBondContact O-N 3.29Å; Y418-I420 VanDerWaalsContact C-N 3.32Å; Y418-I420 PolarHBondContact O-N 3.48Å; Y418-A421 WeakPolarHBondContact O-CB 3.41Å; Y418-A421 PolarHBondContact O-N 2.64Å; Y418-L422 HydrophobicContact CD2-CD1 3.79Å; Y418-L422 HydrophobicContact CE2-CD1 4.06Å; Y418-L422 WeakPolarHBondContact O-CG 3.27Å; Y418-L422 PolarHBondContact O-N 3.03Å; Y418-R444 HydrophobicContact CD1-CB 4.3Å; Y418-R444 HydrophobicContact CD1-CG 3.76Å; Y418-R444 HydrophobicContact CD2-CB 4.25Å; Y418-R444 HydrophobicContact CD2-CG 4.06Å; Y418-R444 HydrophobicContact CE1-CG 3.88Å; Y418-R444 HydrophobicContact CE2-CG 4.19Å; Y418-R444 HydrophobicContact CG-CB 3.97Å; Y418-R444 HydrophobicContact CG-CG 3.84Å; Y418-M447 HydrophobicContact CD2-SD 4.31Å; Y418-M447 HydrophobicContact CE2-CE 4.06Å; Y418-M447 HydrophobicContact CE2-SD 3.83Å
419	R	97.5	Very high	97.1	Very high	137 Å²	137	36.6 Å²	36.6	52%	0.517	17%	0.172	S	C	.	.	H	α-helix	trans	-69	-33.1	-179.5	-57.3	169.4	-67.1	-177	4.5	111.8	M393 D417 K423	M393-R419 HydrophobicContact CE-CB 4.15Å; D417-R419 PolarHBondContact O-N 3.39Å; D417-R419 VanDerWaalsContact O-N 3.12Å; D417-R419 VanDerWaalsContact OD1-CB 3.25Å; D417-R419 WeakPolarHBondContact OD1-CB 3.24Å; D417-R419 WeakPolarHBondContact OD1-CG 3.27Å; D417-R419 IonicContact OD1-CZ 2.75Å; D417-R419 PolarHBondContact OD1-N 2.69Å; D417-R419 IonicContact OD1-NE 3.72Å; D417-R419 PolarHBondContact OD1-NE 3.18Å; D417-R419 IonicContact OD1-NH2 3.99Å; D417-R419 IonicContact OD2-CZ 3.4Å; D417-R419 IonicContact OD2-NE 3.22Å; D417-R419 PolarHBondContact OD2-NE 3Å; D417-R419 IonicContact OD2-NH2 3.47Å; D417-R419 PolarHBondContact OD2-NH2 2.69Å; R419-K423 WeakPolarHBondContact O-CB 3.24Å; R419-K423 WeakPolarHBondContact O-CG 3.27Å; R419-K423 PolarHBondContact O-N 3.41Å
420	I	97.9	Very high	97.1	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.036	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-42.9	173.4	-60.8	179.6	0	0	0	109.4	V390 M393 A396 I414 D417 Y418 K423 V424	V390-I420 HydrophobicContact CB-CG2 4.12Å; V390-I420 HydrophobicContact CG1-CG2 3.45Å; V390-I420 VanDerWaalsContact CG1-CG2 3.45Å; M393-I420 HydrophobicContact CE-CG1 4.15Å; A396-I420 HydrophobicContact CB-CG2 4.28Å; I414-I420 HydrophobicContact CD1-CB 4.39Å; I414-I420 HydrophobicContact CD1-CG2 3.74Å; I414-I420 HydrophobicContact CG1-CG2 4Å; I414-I420 HydrophobicContact CG2-CB 4.47Å; D417-I420 HydrophobicContact CB-CB 4.48Å; D417-I420 HydrophobicContact CB-CD1 3.92Å; D417-I420 HydrophobicContact CB-CG1 3.96Å; D417-I420 WeakPolarHBondContact O-CB 3.25Å; D417-I420 PolarHBondContact O-N 3.44Å; Y418-I420 VanDerWaalsContact C-N 3.32Å; Y418-I420 PolarHBondContact O-N 3.48Å; I420-K423 PolarHBondContact O-N 2.76Å; I420-K423 VanDerWaalsContact O-N 3.16Å; I420-V424 WeakPolarHBondContact O-CG2 3.17Å; I420-V424 PolarHBondContact O-N 3.06Å
421	A	97.7	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-46.3	178.5	0	0	0	0	0	112.1	I414 D417 Y418 K423 V424 A425 L432 V448	I414-A421 HydrophobicContact CD1-CB 4.02Å; D417-A421 PolarHBondContact O-N 3.44Å; Y418-A421 WeakPolarHBondContact O-CB 3.41Å; Y418-A421 PolarHBondContact O-N 2.64Å; A421-K423 VanDerWaalsContact C-N 3.31Å; A421-K423 PolarHBondContact O-N 2.88Å; A421-V424 WeakPolarHBondContact O-CG2 3.36Å; A421-A425 WeakPolarHBondContact O-CB 3.4Å; A421-A425 PolarHBondContact O-N 2.9Å; A421-L432 HydrophobicContact CB-CD2 4.36Å; A421-V448 HydrophobicContact CB-CG1 3.9Å; A421-V448 HydrophobicContact CB-CG2 4.06Å
422	L	97.9	Very high	97	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.209	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-40.3	173.3	-66.1	173.7	0	0	0	112	Y418 A425 E426 M447 V448 C451	Y418-L422 HydrophobicContact CD2-CD1 3.79Å; Y418-L422 HydrophobicContact CE2-CD1 4.06Å; Y418-L422 WeakPolarHBondContact O-CG 3.27Å; Y418-L422 PolarHBondContact O-N 3.03Å; L422-A425 PolarHBondContact O-N 3.08Å; L422-E426 WeakPolarHBondContact O-CB 3.24Å; L422-E426 PolarHBondContact O-N 2.88Å; L422-M447 HydrophobicContact CD1-CE 4.06Å; L422-M447 WeakPolarHBondContact CD2-O 3.49Å; L422-V448 HydrophobicContact CD2-CG2 4.34Å; L422-V448 HydrophobicContact CG-CG2 4.3Å; L422-C451 HydrophobicContact CD2-CB 3.51Å
423	K	98.2	Very high	97	Very high	58 Å²	58	38.3 Å²	38.3	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-70.7	-41.6	-179.9	-86.5	-78.1	167.3	-166.7	0	114.1	M393 R419 I420 A421 A425 E426 Y427	M393-K423 HydrophobicContact CE-CG 4.33Å; M393-K423 HydrophobicContact SD-CB 4.09Å; M393-K423 HydrophobicContact SD-CG 3.86Å; R419-K423 WeakPolarHBondContact O-CB 3.24Å; R419-K423 WeakPolarHBondContact O-CG 3.27Å; R419-K423 PolarHBondContact O-N 3.41Å; I420-K423 PolarHBondContact O-N 2.76Å; I420-K423 VanDerWaalsContact O-N 3.16Å; A421-K423 VanDerWaalsContact C-N 3.31Å; A421-K423 PolarHBondContact O-N 2.88Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.21Å; K423-E426 WeakPolarHBondContact CE-OE2 3.46Å; K423-E426 IonicContact NZ-OE1 3.66Å; K423-E426 PolarHBondContact NZ-OE1 2.73Å; K423-E426 IonicContact NZ-OE2 3.97Å; K423-E426 PolarHBondContact NZ-OE2 3.33Å; K423-E426 WeakPolarHBondContact O-CB 3.44Å; K423-E426 PolarHBondContact O-N 2.92Å; K423-Y427 HydrophobicContact CB-CE2 4.4Å; K423-Y427 HydrophobicContact CD-CE1 4.28Å; K423-Y427 HydrophobicContact CD-CE2 3.95Å; K423-Y427 WeakPolarHBondContact CD-OH 3.19Å; K423-Y427 PolarHBondContact NZ-OH 3.05Å; K423-Y427 WeakPolarHBondContact O-CD2 3.34Å; K423-Y427 PolarHBondContact O-N 3.16Å
424	V	98.2	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.6	-28.4	173.9	-60.9	0	0	0	0	112.2	V390 A396 F399 A412 I414 I420 A421 Y427 G428 V429 L432	V390-V424 HydrophobicContact CG1-CG1 4.02Å; V390-V424 HydrophobicContact CG2-CG1 4.41Å; A396-V424 HydrophobicContact CB-CG1 4.02Å; F399-V424 HydrophobicContact CB-CG1 4.5Å; F399-V424 HydrophobicContact CD1-CB 4.26Å; F399-V424 HydrophobicContact CD1-CG1 4.04Å; F399-V424 HydrophobicContact CE1-CB 4.43Å; F399-V424 HydrophobicContact CG-CG1 4.28Å; A412-V424 HydrophobicContact CB-CB 4.29Å; A412-V424 HydrophobicContact CB-CG1 4.42Å; A412-V424 HydrophobicContact CB-CG2 3.81Å; I414-V424 HydrophobicContact CD1-CG2 3.62Å; I420-V424 WeakPolarHBondContact O-CG2 3.17Å; I420-V424 PolarHBondContact O-N 3.06Å; A421-V424 WeakPolarHBondContact O-CG2 3.36Å; V424-Y427 CarbonylContact O-C 3.52Å; V424-Y427 PolarHBondContact O-N 3.12Å; V424-G428 PolarHBondContact O-N 2.93Å; V424-G428 VanDerWaalsContact O-N 3.1Å; V424-V429 HydrophobicContact CB-CB 4.17Å; V424-V429 HydrophobicContact CB-CG1 4.24Å; V424-V429 HydrophobicContact CG2-CB 4.31Å; V424-V429 HydrophobicContact CG2-CG1 3.97Å; V424-V429 WeakPolarHBondContact O-CB 3.25Å; V424-V429 WeakPolarHBondContact O-CG1 2.93Å; V424-V429 PolarHBondContact O-N 2.9Å; V424-L432 HydrophobicContact CG2-CD2 3.6Å
425	A	97.9	Very high	96.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-44.1	169.4	0	0	0	0	0	111.7	A421 L422 K423 Y427 G428 K455 I457	A421-A425 WeakPolarHBondContact O-CB 3.4Å; A421-A425 PolarHBondContact O-N 2.9Å; L422-A425 PolarHBondContact O-N 3.08Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.21Å; A425-Y427 VanDerWaalsContact C-N 3.25Å; A425-Y427 PolarHBondContact O-N 3.4Å; A425-G428 PolarHBondContact O-N 3.45Å; A425-K455 HydrophobicContact CB-CD 3.98Å; A425-K455 WeakPolarHBondContact O-CD 3.38Å; A425-K455 WeakPolarHBondContact O-CE 3.4Å; A425-K455 PolarHBondContact O-NZ 2.77Å; A425-I457 HydrophobicContact CB-CD1 3.88Å
426	E	97.3	Very high	96.4	Very high	106 Å²	106	33.7 Å²	33.7	50%	0.495	16%	0.159	S	C	.	.	H	α-helix	trans	-52.8	-44.7	169.5	-169.1	-173	131.4	0	0	111.2	L422 K423 G428	L422-E426 WeakPolarHBondContact O-CB 3.24Å; L422-E426 PolarHBondContact O-N 2.88Å; K423-E426 WeakPolarHBondContact CE-OE2 3.46Å; K423-E426 IonicContact NZ-OE1 3.66Å; K423-E426 PolarHBondContact NZ-OE1 2.73Å; K423-E426 IonicContact NZ-OE2 3.97Å; K423-E426 PolarHBondContact NZ-OE2 3.33Å; K423-E426 WeakPolarHBondContact O-CB 3.44Å; K423-E426 PolarHBondContact O-N 2.92Å; E426-G428 VanDerWaalsContact C-N 3.33Å; E426-G428 PolarHBondContact O-N 3.42Å
427	Y	97.7	Very high	95.8	Very high	35 Å²	35	28.9 Å²	28.9	14%	0.137	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	7.1	-177.7	-55.4	-24.8	0	0	0	115.7	E397 K400 K423 V424 A425	E397-Y427 VanDerWaalsContact CD-OH 3.25Å; E397-Y427 VanDerWaalsContact OE1-CE2 3.23Å; E397-Y427 WeakPolarHBondContact OE1-CE2 3.33Å; E397-Y427 VanDerWaalsContact OE1-CZ 3.26Å; E397-Y427 PolarHBondContact OE1-OH 2.77Å; E397-Y427 PolarHBondContact OE2-OH 2.68Å; K400-Y427 HydrophobicContact CB-CD2 3.66Å; K400-Y427 HydrophobicContact CB-CE2 4.28Å; K400-Y427 HydrophobicContact CB-CG 3.87Å; K400-Y427 HydrophobicContact CD-CD1 3.91Å; K400-Y427 HydrophobicContact CD-CD2 3.84Å; K400-Y427 HydrophobicContact CD-CE1 3.93Å; K400-Y427 HydrophobicContact CD-CE2 3.82Å; K400-Y427 HydrophobicContact CD-CG 3.88Å; K400-Y427 HydrophobicContact CG-CD1 4.13Å; K400-Y427 HydrophobicContact CG-CD2 3.99Å; K400-Y427 HydrophobicContact CG-CE2 4.48Å; K400-Y427 HydrophobicContact CG-CG 3.79Å; K400-Y427 PolarHBondContact NZ-OH 3.17Å; K423-Y427 HydrophobicContact CB-CE2 4.4Å; K423-Y427 HydrophobicContact CD-CE1 4.28Å; K423-Y427 HydrophobicContact CD-CE2 3.95Å; K423-Y427 WeakPolarHBondContact CD-OH 3.19Å; K423-Y427 PolarHBondContact NZ-OH 3.05Å; K423-Y427 WeakPolarHBondContact O-CD2 3.34Å; K423-Y427 PolarHBondContact O-N 3.16Å; V424-Y427 CarbonylContact O-C 3.52Å; V424-Y427 PolarHBondContact O-N 3.12Å; A425-Y427 VanDerWaalsContact C-N 3.25Å; A425-Y427 PolarHBondContact O-N 3.4Å
428	G	97	Very high	95.6	Very high	35 Å²	35	29.8 Å²	29.8	36%	0.361	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	39.5	169.9	0	0	0	0	0	115.5	K403 V424 A425 E426	K403-G428 VanDerWaalsContact CE-O 3.27Å; K403-G428 WeakPolarHBondContact CE-O 3.42Å; V424-G428 PolarHBondContact O-N 2.93Å; V424-G428 VanDerWaalsContact O-N 3.1Å; A425-G428 PolarHBondContact O-N 3.45Å; E426-G428 VanDerWaalsContact C-N 3.33Å; E426-G428 PolarHBondContact O-N 3.42Å
429	V	98.5	Very high	95.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.143	C	C	.	.			trans	-59.3	141.8	164.5	69.1	0	0	0	0	111.4	F399 L410 A412 V424 C431 L432 I457	F399-V429 HydrophobicContact CE1-CB 3.84Å; F399-V429 HydrophobicContact CE1-CG2 4.05Å; F399-V429 HydrophobicContact CZ-CB 4.03Å; F399-V429 HydrophobicContact CZ-CG2 3.71Å; L410-V429 WeakPolarHBondContact O-CG2 3.34Å; A412-V429 HydrophobicContact CB-CG2 3.66Å; V424-V429 HydrophobicContact CB-CB 4.17Å; V424-V429 HydrophobicContact CB-CG1 4.24Å; V424-V429 HydrophobicContact CG2-CB 4.31Å; V424-V429 HydrophobicContact CG2-CG1 3.97Å; V424-V429 WeakPolarHBondContact O-CB 3.25Å; V424-V429 WeakPolarHBondContact O-CG1 2.93Å; V424-V429 PolarHBondContact O-N 2.9Å; V429-C431 VanDerWaalsContact CG2-O 3.23Å; V429-C431 WeakPolarHBondContact CG2-O 3.39Å; V429-L432 HydrophobicContact CG1-CD2 3.89Å; V429-L432 HydrophobicContact CG1-CG 4.33Å; V429-I457 HydrophobicContact CG1-CD1 4.08Å; V429-I457 HydrophobicContact CG1-CG2 4.15Å; V429-I457 WeakPolarHBondContact O-CD1 3.37Å
430	D	98.7	Very high	94.8	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	14%	0.138	C	C	.	.	S	Bend	trans	-87.4	-15	-176.8	-47.8	-99.6	0	0	0	113.6	V344 K403 P409 L410 P458	V344-D430 HydrophobicContact CG1-CB 4.14Å; K403-D430 WeakPolarHBondContact CE-OD2 3.37Å; K403-D430 IonicContact NZ-OD1 2.69Å; K403-D430 PolarHBondContact NZ-OD1 3.34Å; K403-D430 IonicContact NZ-OD2 3.15Å; K403-D430 PolarHBondContact NZ-OD2 2.97Å; P409-D430 HydrophobicContact CB-CB 3.79Å; L410-D430 PolarHBondContact N-OD2 3.1Å; L410-D430 PolarHBondContact O-N 3.48Å; D430-P458 WeakPolarHBondContact O-CD 3.19Å
431	C	98.8	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	137.3	172.9	172.9	0	0	0	0	111.3	V344 L410 V411 A412 V429 P458	V344-C431 HydrophobicContact CB-CB 4.43Å; V344-C431 HydrophobicContact CG1-CB 3.7Å; V344-C431 HydrophobicContact CG2-CB 3.99Å; L410-C431 PolarHBondContact O-N 2.99Å; V411-C431 VanDerWaalsContact CA-O 3.29Å; V411-C431 WeakPolarHBondContact CA-O 3.34Å; V411-C431 HydrophobicContact CG2-CB 3.98Å; A412-C431 PolarHBondContact N-O 3.31Å; A412-C431 VanDerWaalsContact N-O 3.08Å; V429-C431 VanDerWaalsContact CG2-O 3.23Å; V429-C431 WeakPolarHBondContact CG2-O 3.39Å; C431-P458 WeakPolarHBondContact CA-O 3.32Å; C431-P458 HydrophobicContact CB-CG 4.03Å; C431-P458 PolarHBondContact SG-O 2.69Å
432	L	98.5	Very high	94.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131	170.7	-66.8	171.9	0	0	0	109.6	I414 A421 V424 V429 V448 A452 I457 P458 I459 R460	I414-L432 HydrophobicContact CD1-CD2 4.31Å; A421-L432 HydrophobicContact CB-CD2 4.36Å; V424-L432 HydrophobicContact CG2-CD2 3.6Å; V429-L432 HydrophobicContact CG1-CD2 3.89Å; V429-L432 HydrophobicContact CG1-CG 4.33Å; L432-V448 HydrophobicContact CD1-CG1 3.96Å; L432-A452 HydrophobicContact CD1-CB 4.39Å; L432-I457 HydrophobicContact CG-CG2 4.15Å; L432-P458 PolarHBondContact N-O 2.89Å; L432-I459 CarbonylContact O-C 3.56Å; L432-I459 WeakPolarHBondContact O-CA 3.31Å; L432-R460 PolarHBondContact O-N 3.1Å
433	R	98.1	Very high	94.1	Very high	14 Å²	14	33.4 Å²	33.4	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.7	154	-178.8	-104.5	168.8	170.2	-3.9	109.1	V411 A412 D413 I414 H415 N435 R460 G462	V411-R433 HydrophobicContact CG1-CB 3.95Å; A412-R433 PolarHBondContact O-N 3.06Å; D413-R433 WeakPolarHBondContact OD1-CD 3.37Å; D413-R433 IonicContact OD1-CZ 2.88Å; D413-R433 IonicContact OD1-NE 3.84Å; D413-R433 IonicContact OD1-NH1 3.5Å; D413-R433 PolarHBondContact OD1-NH1 3.27Å; D413-R433 IonicContact OD2-NH1 3.62Å; I414-R433 PolarHBondContact N-O 2.72Å; I414-R433 VanDerWaalsContact O-O 3.14Å; H415-R433 PolarHBondContact CD2-NH1 2.73Å; H415-R433 PolarHBondContact NE2-NH1 3.41Å; R433-N435 PolarHBondContact NE-OD1 2.72Å; R433-N435 PolarHBondContact NH2-OD1 2.82Å; R433-R460 WeakPolarHBondContact CA-O 3.5Å; R433-R460 HydrophobicContact CB-CB 4.23Å; R433-R460 HydrophobicContact CG-CB 4.37Å; R433-R460 VanDerWaalsContact CG-O 3.28Å; R433-R460 WeakPolarHBondContact CG-O 3.38Å; R433-G462 PolarHBondContact NH2-O 3.13Å
434	I	94.6	Very high	94.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	20%	0.196	C	C	.	.			trans	-142.1	155.7	175.1	52.9	172.2	0	0	0	108.9	I414 I439 V448 I459 R460	I414-I434 HydrophobicContact CB-CG2 3.97Å; I414-I434 HydrophobicContact CG2-CG2 4.25Å; I434-I439 HydrophobicContact CB-CD1 4.15Å; I434-I439 HydrophobicContact CG2-CD1 4.02Å; I434-V448 HydrophobicContact CD1-CG1 3.68Å; I434-I459 HydrophobicContact CD1-CD1 4.24Å; I434-I459 HydrophobicContact CD1-CG2 4.21Å; I434-I459 HydrophobicContact CG1-CG2 3.72Å; I434-R460 PolarHBondContact N-O 3.24Å; I434-R460 VanDerWaalsContact O-O 3.06Å
435	N	92.3	Very high	93.9	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	20%	0.197	C	C	.	.			trans	-109.1	107.3	167.7	-82.1	43.7	0	0	0	106.4	R433 G437 N438 G462 H491	R433-N435 PolarHBondContact NE-OD1 2.72Å; R433-N435 PolarHBondContact NH2-OD1 2.82Å; N435-G437 VanDerWaalsContact C-N 3.29Å; N435-G437 PolarHBondContact O-N 3.17Å; N435-G437 VanDerWaalsContact O-N 3.15Å; N435-N438 HydrophobicContact CB-CB 4.35Å; N435-N438 WeakPolarHBondContact O-CB 3.29Å; N435-N438 PolarHBondContact O-N 3.1Å; N435-G462 PolarHBondContact ND2-O 3.11Å; N435-G462 PolarHBondContact OD1-N 2.93Å; N435-G462 VanDerWaalsContact OD1-N 3.12Å; N435-G462 PolarHBondContact OD1-O 3.13Å; N435-H491 WeakPolarHBondContact CB-NE2 3.44Å; N435-H491 PolarHBondContact ND2-CD2 3.04Å; N435-H491 PolarHBondContact ND2-NE2 3.33Å
436	P	85.4	Confident	93.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-49.2	-43.1	-170.7	-33.8	37.5	0	0	0	115	N438 I439 I445 H494 L495	P436-N438 PolarHBondContact O-N 3.26Å; P436-N438 VanDerWaalsContact O-N 3.14Å; P436-I439 WeakPolarHBondContact O-CB 3.33Å; P436-I439 PolarHBondContact O-N 3.11Å; P436-I445 HydrophobicContact CB-CD1 4.42Å; P436-I445 HydrophobicContact CB-CG2 4.15Å; P436-I445 VanDerWaalsContact O-CD1 3.25Å; P436-I445 WeakPolarHBondContact O-CD1 3.5Å; P436-I445 WeakPolarHBondContact O-CG1 3.28Å; P436-H494 HydrophobicContact CB-CB 3.64Å; P436-H494 HydrophobicContact CG-CB 4.3Å; P436-L495 HydrophobicContact CG-CD2 4.14Å; P436-L495 HydrophobicContact CG-CG 4.39Å
437	G	79.9	Confident	93.8	Very high	36 Å²	36	39.3 Å²	39.3	37%	0.371	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.2	-23.7	177.9	0	0	0	0	0	114.9	N435	N435-G437 VanDerWaalsContact C-N 3.29Å; N435-G437 PolarHBondContact O-N 3.17Å; N435-G437 VanDerWaalsContact O-N 3.15Å
438	N	89.1	Confident	93.8	Very high	62 Å²	62	37.8 Å²	37.8	33%	0.332	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-84	-12.1	178.9	-64.8	-2.9	0	0	0	113.4	H415 F416 N435 P436 G440	H415-N438 WeakPolarHBondContact O-CB 3.36Å; F416-N438 HydrophobicContact CD1-CB 3.96Å; F416-N438 HydrophobicContact CE1-CB 4.23Å; N435-N438 HydrophobicContact CB-CB 4.35Å; N435-N438 WeakPolarHBondContact O-CB 3.29Å; N435-N438 PolarHBondContact O-N 3.1Å; P436-N438 PolarHBondContact O-N 3.26Å; P436-N438 VanDerWaalsContact O-N 3.14Å; N438-G440 VanDerWaalsContact C-N 3.33Å
439	I	88.5	Confident	93.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.187	C	C	.	.	S	Bend	trans	-78.5	-19.7	-177.1	-58	-58.6	0	0	0	111.8	I434 P436 R444 I445 V448	I434-I439 HydrophobicContact CB-CD1 4.15Å; I434-I439 HydrophobicContact CG2-CD1 4.02Å; P436-I439 WeakPolarHBondContact O-CB 3.33Å; P436-I439 PolarHBondContact O-N 3.11Å; I439-R444 HydrophobicContact CG2-CB 4.02Å; I439-R444 WeakPolarHBondContact O-CD 3.23Å; I439-I445 HydrophobicContact CB-CG1 4.16Å; I439-I445 HydrophobicContact CG2-CG1 4.41Å; I439-V448 HydrophobicContact CG2-CG2 4.42Å
440	G	88.5	Confident	93.8	Very high	41 Å²	41	38.4 Å²	38.4	42%	0.423	20%	0.2	S	C	.	.			trans	116.6	-131.9	173.8	0	0	0	0	0	113	N438	N438-G440 VanDerWaalsContact C-N 3.33Å
441	N	92.2	Very high	93.7	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	20%	0.202	S	C	.	.	S	Bend	trans	-70.8	159.5	179.9	70.3	-20.5	0	0	0	112	E443 R444 I445	N441-E443 PolarHBondContact ND2-OE2 3.05Å; N441-E443 PolarHBondContact O-N 2.83Å; N441-E443 VanDerWaalsContact O-N 3.15Å; N441-R444 PolarHBondContact O-N 3.31Å; N441-R444 VanDerWaalsContact OD1-CD 3.26Å; N441-R444 WeakPolarHBondContact OD1-CD 3.48Å; N441-R444 WeakPolarHBondContact OD1-CG 3.25Å; N441-R444 PolarHBondContact OD1-N 2.96Å; N441-I445 PolarHBondContact O-N 3.32Å
442	E	92	Very high	93.6	Very high	75 Å²	75	38.6 Å²	38.6	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-27.7	-176.6	-165.5	-179.1	103	0	0	113.4	I445 R446 R497	E442-I445 PolarHBondContact O-N 3.07Å; E442-R446 VanDerWaalsContact O-CB 3.25Å; E442-R446 WeakPolarHBondContact O-CB 3.46Å; E442-R446 PolarHBondContact O-N 3.1Å; E442-R446 IonicContact OE1-CZ 2.85Å; E442-R446 IonicContact OE1-NH1 3.99Å; E442-R446 PolarHBondContact OE1-NH1 2.88Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.83Å; E442-R497 IonicContact OE2-CZ 3.53Å; E442-R497 IonicContact OE2-NH1 2.7Å; E442-R497 PolarHBondContact OE2-NH1 3.06Å; E442-R497 IonicContact OE2-NH2 3.59Å; E442-R497 PolarHBondContact OE2-NH2 2.87Å
443	E	95.5	Very high	93.6	Very high	124 Å²	124	43.1 Å²	43.1	58%	0.579	22%	0.219	S	C	*	.	H	α-helix	trans	-57.6	-50	171.2	-177.8	-175.1	-151	0	0	112.2	N441 I445 R446 M447	N441-E443 PolarHBondContact ND2-OE2 3.05Å; N441-E443 PolarHBondContact O-N 2.83Å; N441-E443 VanDerWaalsContact O-N 3.15Å; E443-I445 VanDerWaalsContact C-N 3.35Å; E443-I445 PolarHBondContact O-N 3.16Å; E443-R446 WeakPolarHBondContact O-CB 3.3Å; E443-R446 PolarHBondContact O-N 3.43Å; E443-M447 WeakPolarHBondContact O-CG 3.41Å; E443-M447 PolarHBondContact O-N 3.48Å
444	R	96.4	Very high	93.6	Very high	105 Å²	105	48.9 Å²	48.9	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-36.1	177.1	-69.4	167.3	-168.9	-177.1	4.7	112.5	Y418 I439 N441 V448	Y418-R444 HydrophobicContact CD1-CB 4.3Å; Y418-R444 HydrophobicContact CD1-CG 3.76Å; Y418-R444 HydrophobicContact CD2-CB 4.25Å; Y418-R444 HydrophobicContact CD2-CG 4.06Å; Y418-R444 HydrophobicContact CE1-CG 3.88Å; Y418-R444 HydrophobicContact CE2-CG 4.19Å; Y418-R444 HydrophobicContact CG-CB 3.97Å; Y418-R444 HydrophobicContact CG-CG 3.84Å; I439-R444 HydrophobicContact CG2-CB 4.02Å; I439-R444 WeakPolarHBondContact O-CD 3.23Å; N441-R444 PolarHBondContact O-N 3.31Å; N441-R444 VanDerWaalsContact OD1-CD 3.26Å; N441-R444 WeakPolarHBondContact OD1-CD 3.48Å; N441-R444 WeakPolarHBondContact OD1-CG 3.25Å; N441-R444 PolarHBondContact OD1-N 2.96Å; R444-V448 WeakPolarHBondContact O-CG2 3.39Å; R444-V448 PolarHBondContact O-N 2.7Å
445	I	95.5	Very high	93.7	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-49.6	174.3	-60.5	174.3	0	0	0	109.1	P436 I439 N441 E442 E443 M447 V448 V449 H494 L498	P436-I445 HydrophobicContact CB-CD1 4.42Å; P436-I445 HydrophobicContact CB-CG2 4.15Å; P436-I445 VanDerWaalsContact O-CD1 3.25Å; P436-I445 WeakPolarHBondContact O-CD1 3.5Å; P436-I445 WeakPolarHBondContact O-CG1 3.28Å; I439-I445 HydrophobicContact CB-CG1 4.16Å; I439-I445 HydrophobicContact CG2-CG1 4.41Å; N441-I445 PolarHBondContact O-N 3.32Å; E442-I445 PolarHBondContact O-N 3.07Å; E443-I445 VanDerWaalsContact C-N 3.35Å; E443-I445 PolarHBondContact O-N 3.16Å; I445-M447 PolarHBondContact O-N 3.19Å; I445-V448 PolarHBondContact O-N 3.41Å; I445-V449 HydrophobicContact CG2-CG2 4.24Å; I445-V449 WeakPolarHBondContact O-CG2 3.36Å; I445-V449 PolarHBondContact O-N 3.11Å; I445-H494 WeakPolarHBondContact CD1-ND1 3.28Å; I445-H494 HydrophobicContact CG2-CB 4.45Å; I445-L498 HydrophobicContact CG2-CD1 3.91Å
446	R	96.6	Very high	93.9	Very high	95 Å²	95	58.6 Å²	58.6	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-48.5	176.5	-179.2	173.3	-68.2	102.3	1	112	E442 E443 V448 V449 D450 L498	E442-R446 VanDerWaalsContact O-CB 3.25Å; E442-R446 WeakPolarHBondContact O-CB 3.46Å; E442-R446 PolarHBondContact O-N 3.1Å; E442-R446 IonicContact OE1-CZ 2.85Å; E442-R446 IonicContact OE1-NH1 3.99Å; E442-R446 PolarHBondContact OE1-NH1 2.88Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.83Å; E443-R446 WeakPolarHBondContact O-CB 3.3Å; E443-R446 PolarHBondContact O-N 3.43Å; R446-V448 VanDerWaalsContact C-N 3.29Å; R446-V448 PolarHBondContact O-N 3.44Å; R446-V449 PolarHBondContact O-N 3.3Å; R446-D450 WeakPolarHBondContact CG-OD2 3.3Å; R446-D450 WeakPolarHBondContact O-CB 3.26Å; R446-D450 VanDerWaalsContact O-CG 3.23Å; R446-D450 PolarHBondContact O-N 2.91Å; R446-L498 HydrophobicContact CB-CD1 4.34Å; R446-L498 HydrophobicContact CB-CD2 4.18Å; R446-L498 HydrophobicContact CG-CD2 4.16Å
447	M	96.8	Very high	94.5	Very high	85 Å²	85	59.1 Å²	59.1	42%	0.419	30%	0.301	S	S	.	.	H	α-helix	trans	-53.5	-43	175.3	-70.3	178.3	80.3	0	0	113.1	Y418 L422 E443 I445 C451	Y418-M447 HydrophobicContact CD2-SD 4.31Å; Y418-M447 HydrophobicContact CE2-CE 4.06Å; Y418-M447 HydrophobicContact CE2-SD 3.83Å; L422-M447 HydrophobicContact CD1-CE 4.06Å; L422-M447 WeakPolarHBondContact CD2-O 3.49Å; E443-M447 WeakPolarHBondContact O-CG 3.41Å; E443-M447 PolarHBondContact O-N 3.48Å; I445-M447 PolarHBondContact O-N 3.19Å; M447-C451 WeakPolarHBondContact O-CB 3.45Å; M447-C451 PolarHBondContact O-N 2.95Å; M447-C451 VanDerWaalsContact O-N 3.15Å
448	V	97.3	Very high	95.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-74.7	-39.6	-179.4	176.7	0	0	0	0	111.7	A421 L422 L432 I434 I439 R444 I445 R446 A452	A421-V448 HydrophobicContact CB-CG1 3.9Å; A421-V448 HydrophobicContact CB-CG2 4.06Å; L422-V448 HydrophobicContact CD2-CG2 4.34Å; L422-V448 HydrophobicContact CG-CG2 4.3Å; L432-V448 HydrophobicContact CD1-CG1 3.96Å; I434-V448 HydrophobicContact CD1-CG1 3.68Å; I439-V448 HydrophobicContact CG2-CG2 4.42Å; R444-V448 WeakPolarHBondContact O-CG2 3.39Å; R444-V448 PolarHBondContact O-N 2.7Å; I445-V448 PolarHBondContact O-N 3.41Å; R446-V448 VanDerWaalsContact C-N 3.29Å; R446-V448 PolarHBondContact O-N 3.44Å; V448-A452 VanDerWaalsContact O-CB 3.26Å; V448-A452 WeakPolarHBondContact O-CB 3.4Å; V448-A452 PolarHBondContact O-N 2.78Å
449	V	96.9	Very high	95.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-41.1	178.2	171	0	0	0	0	111.8	I445 R446 A452 R453 I459 L495 L498 F500	I445-V449 HydrophobicContact CG2-CG2 4.24Å; I445-V449 WeakPolarHBondContact O-CG2 3.36Å; I445-V449 PolarHBondContact O-N 3.11Å; R446-V449 PolarHBondContact O-N 3.3Å; V449-A452 PolarHBondContact O-N 2.99Å; V449-R453 WeakPolarHBondContact O-CB 3.5Å; V449-R453 PolarHBondContact O-N 3.39Å; V449-I459 HydrophobicContact CG2-CD1 4.03Å; V449-L495 HydrophobicContact CG2-CD2 3.59Å; V449-L498 HydrophobicContact CB-CD1 3.92Å; V449-L498 HydrophobicContact CG1-CB 3.91Å; V449-L498 HydrophobicContact CG1-CD1 4.08Å; V449-L498 HydrophobicContact CG2-CD1 3.88Å; V449-F500 HydrophobicContact CG1-CB 3.59Å; V449-F500 HydrophobicContact CG1-CD2 3.82Å; V449-F500 HydrophobicContact CG1-CG 3.75Å
450	D	97.3	Very high	96.3	Very high	51 Å²	51	54.6 Å²	54.6	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-45.9	176.3	-65.1	-27.5	0	0	0	110.6	R446 A452 R453 D454	R446-D450 WeakPolarHBondContact CG-OD2 3.3Å; R446-D450 WeakPolarHBondContact O-CB 3.26Å; R446-D450 VanDerWaalsContact O-CG 3.23Å; R446-D450 PolarHBondContact O-N 2.91Å; D450-A452 VanDerWaalsContact C-N 3.28Å; D450-A452 PolarHBondContact O-N 3.23Å; D450-R453 PolarHBondContact O-N 3.38Å; D450-R453 VanDerWaalsContact O-N 3.12Å; D450-R453 IonicContact OD1-CZ 2.74Å; D450-R453 VanDerWaalsContact OD1-CZ 3.26Å; D450-R453 IonicContact OD1-NH1 3.1Å; D450-R453 PolarHBondContact OD1-NH1 2.71Å; D450-R453 IonicContact OD1-NH2 2.76Å; D450-R453 PolarHBondContact OD1-NH2 3.33Å; D450-D454 WeakPolarHBondContact O-CB 3.36Å; D450-D454 PolarHBondContact O-N 3.43Å
451	C	97.5	Very high	96.8	Very high	26 Å²	26	52.7 Å²	52.7	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-35	174.2	-171.3	0	0	0	0	113.1	L422 M447 K455	L422-C451 HydrophobicContact CD2-CB 3.51Å; M447-C451 WeakPolarHBondContact O-CB 3.45Å; M447-C451 PolarHBondContact O-N 2.95Å; M447-C451 VanDerWaalsContact O-N 3.15Å; C451-K455 WeakPolarHBondContact O-CB 3.21Å; C451-K455 WeakPolarHBondContact O-CG 3.36Å; C451-K455 PolarHBondContact O-N 2.73Å
452	A	97.8	Very high	97	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-41.8	173.9	0	0	0	0	0	111.9	L432 V448 V449 D450 K455 N456 I457 I459 F500	L432-A452 HydrophobicContact CD1-CB 4.39Å; V448-A452 VanDerWaalsContact O-CB 3.26Å; V448-A452 WeakPolarHBondContact O-CB 3.4Å; V448-A452 PolarHBondContact O-N 2.78Å; V449-A452 PolarHBondContact O-N 2.99Å; D450-A452 VanDerWaalsContact C-N 3.28Å; D450-A452 PolarHBondContact O-N 3.23Å; A452-K455 PolarHBondContact O-N 3.05Å; A452-N456 PolarHBondContact O-N 2.92Å; A452-I457 PolarHBondContact O-N 2.75Å; A452-I459 HydrophobicContact CB-CD1 4.13Å; A452-I459 HydrophobicContact CB-CG1 4.29Å; A452-F500 HydrophobicContact CB-CE2 4.02Å; A452-F500 HydrophobicContact CB-CZ 4.12Å
453	R	97.4	Very high	97.2	Very high	97 Å²	97	45.8 Å²	45.8	37%	0.366	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-50.6	176.7	-158.1	-168.5	-56.3	98.2	-1.1	111.2	V449 D450 K455 N456 L498 F500	V449-R453 WeakPolarHBondContact O-CB 3.5Å; V449-R453 PolarHBondContact O-N 3.39Å; D450-R453 PolarHBondContact O-N 3.38Å; D450-R453 VanDerWaalsContact O-N 3.12Å; D450-R453 IonicContact OD1-CZ 2.74Å; D450-R453 VanDerWaalsContact OD1-CZ 3.26Å; D450-R453 IonicContact OD1-NH1 3.1Å; D450-R453 PolarHBondContact OD1-NH1 2.71Å; D450-R453 IonicContact OD1-NH2 2.76Å; D450-R453 PolarHBondContact OD1-NH2 3.33Å; R453-K455 PolarHBondContact O-N 3.14Å; R453-N456 PolarHBondContact O-N 3.21Å; R453-L498 PolarHBondContact NH2-O 3.29Å; R453-F500 HydrophobicContact CB-CD2 4.1Å; R453-F500 HydrophobicContact CB-CE2 4.18Å; R453-F500 HydrophobicContact CG-CD2 4.34Å
454	D	97.2	Very high	97.1	Very high	134 Å²	134	41.7 Å²	41.7	72%	0.717	20%	0.197	S	C	*	.	H	α-helix	trans	-61.6	-26.3	-178	-66.8	-9.4	0	0	0	113.1	D450	D450-D454 WeakPolarHBondContact O-CB 3.36Å; D450-D454 PolarHBondContact O-N 3.43Å
455	K	97.1	Very high	96.9	Very high	97 Å²	97	37.4 Å²	37.4	42%	0.422	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	0.3	179.2	-71.1	169.3	158.1	-77.4	0	113.9	A425 C451 A452 R453 I457	A425-K455 HydrophobicContact CB-CD 3.98Å; A425-K455 WeakPolarHBondContact O-CD 3.38Å; A425-K455 WeakPolarHBondContact O-CE 3.4Å; A425-K455 PolarHBondContact O-NZ 2.77Å; C451-K455 WeakPolarHBondContact O-CB 3.21Å; C451-K455 WeakPolarHBondContact O-CG 3.36Å; C451-K455 PolarHBondContact O-N 2.73Å; A452-K455 PolarHBondContact O-N 3.05Å; R453-K455 PolarHBondContact O-N 3.14Å; K455-I457 VanDerWaalsContact C-N 3.3Å; K455-I457 HydrophobicContact CB-CD1 3.6Å; K455-I457 HydrophobicContact CB-CG1 3.75Å; K455-I457 HydrophobicContact CD-CD1 4.02Å; K455-I457 HydrophobicContact CG-CD1 4.44Å; K455-I457 PolarHBondContact O-N 2.83Å
456	N	96.5	Very high	96.5	Very high	118 Å²	118	40.8 Å²	40.8	63%	0.631	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	43.9	-173.2	-165	36.5	0	0	0	113.6	A452 R453	A452-N456 PolarHBondContact O-N 2.92Å; R453-N456 PolarHBondContact O-N 3.21Å
457	I	98.4	Very high	96.1	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.056	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-101.4	116.7	-180	-60.9	171.7	0	0	0	108.7	A425 V429 L432 A452 K455	A425-I457 HydrophobicContact CB-CD1 3.88Å; V429-I457 HydrophobicContact CG1-CD1 4.08Å; V429-I457 HydrophobicContact CG1-CG2 4.15Å; V429-I457 WeakPolarHBondContact O-CD1 3.37Å; L432-I457 HydrophobicContact CG-CG2 4.15Å; A452-I457 PolarHBondContact O-N 2.75Å; K455-I457 VanDerWaalsContact C-N 3.3Å; K455-I457 HydrophobicContact CB-CD1 3.6Å; K455-I457 HydrophobicContact CB-CG1 3.75Å; K455-I457 HydrophobicContact CD-CD1 4.02Å; K455-I457 HydrophobicContact CG-CD1 4.44Å; K455-I457 PolarHBondContact O-N 2.83Å
458	P	98.6	Very high	95.8	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.026	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.7	150.1	179.3	31.7	-39.2	0	0	0	112.8	I342 Y343 V344 D430 C431 L432 Q502	I342-P458 HydrophobicContact CD1-CB 4.18Å; Y343-P458 WeakPolarHBondContact O-CD 3.27Å; Y343-P458 VanDerWaalsContact O-CG 3.27Å; Y343-P458 WeakPolarHBondContact O-CG 3.18Å; V344-P458 HydrophobicContact CG2-CG 3.88Å; D430-P458 WeakPolarHBondContact O-CD 3.19Å; C431-P458 WeakPolarHBondContact CA-O 3.32Å; C431-P458 HydrophobicContact CB-CG 4.03Å; C431-P458 PolarHBondContact SG-O 2.69Å; L432-P458 PolarHBondContact N-O 2.89Å; P458-Q502 CarbonylContact C-O 3.5Å; P458-Q502 WeakPolarHBondContact CA-O 3.45Å; P458-Q502 VanDerWaalsContact CB-O 3.26Å; P458-Q502 WeakPolarHBondContact CB-O 3.48Å
459	I	98.5	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.5	176.5	-65.8	171.6	0	0	0	110.1	L432 I434 V449 A452 L495 F500 Q502 F503 K504	L432-I459 CarbonylContact O-C 3.56Å; L432-I459 WeakPolarHBondContact O-CA 3.31Å; I434-I459 HydrophobicContact CD1-CD1 4.24Å; I434-I459 HydrophobicContact CD1-CG2 4.21Å; I434-I459 HydrophobicContact CG1-CG2 3.72Å; V449-I459 HydrophobicContact CG2-CD1 4.03Å; A452-I459 HydrophobicContact CB-CD1 4.13Å; A452-I459 HydrophobicContact CB-CG1 4.29Å; I459-L495 HydrophobicContact CD1-CD2 4Å; I459-L495 HydrophobicContact CG2-CD1 4.26Å; I459-F500 HydrophobicContact CB-CE1 3.92Å; I459-F500 HydrophobicContact CB-CZ 4.5Å; I459-F500 HydrophobicContact CD1-CD1 4.13Å; I459-F500 HydrophobicContact CD1-CE1 3.62Å; I459-F500 HydrophobicContact CD1-CZ 3.9Å; I459-F500 HydrophobicContact CG1-CE1 3.75Å; I459-F500 HydrophobicContact CG1-CZ 3.94Å; I459-Q502 PolarHBondContact N-O 3.2Å; I459-F503 HydrophobicContact CB-CB 4.31Å; I459-F503 CarbonylContact O-C 3.59Å; I459-F503 WeakPolarHBondContact O-CA 3.44Å; I459-F503 VanDerWaalsContact O-CB 3.22Å; I459-F503 WeakPolarHBondContact O-CB 3.01Å; I459-K504 PolarHBondContact O-N 2.85Å
460	R	98.6	Very high	95.3	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.9	166.4	-174.6	-179.8	65.7	171.4	8	110.6	L432 R433 I434 K504 H531	L432-R460 PolarHBondContact O-N 3.1Å; R433-R460 WeakPolarHBondContact CA-O 3.5Å; R433-R460 HydrophobicContact CB-CB 4.23Å; R433-R460 HydrophobicContact CG-CB 4.37Å; R433-R460 VanDerWaalsContact CG-O 3.28Å; R433-R460 WeakPolarHBondContact CG-O 3.38Å; I434-R460 PolarHBondContact N-O 3.24Å; I434-R460 VanDerWaalsContact O-O 3.06Å; R460-K504 CarbonylContact C-O 3.58Å; R460-K504 VanDerWaalsContact CA-O 3.23Å; R460-K504 WeakPolarHBondContact CA-O 3.44Å; R460-K504 HydrophobicContact CB-CD 4.33Å; R460-K504 HydrophobicContact CB-CG 3.89Å; R460-K504 HydrophobicContact CG-CD 4.24Å; R460-K504 HydrophobicContact CG-CG 3.93Å; R460-H531 PolarHBondContact NH1-CD2 2.95Å; R460-H531 VanDerWaalsContact NH1-CD2 3.27Å; R460-H531 PolarHBondContact NH1-CE1 3.2Å; R460-H531 PolarHBondContact NH1-NE2 2.86Å
461	I	98.1	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	C	.	.			trans	-74.5	135.5	166.5	-67	166.9	0	0	0	108.7	V463 H491 V492 L495 F503 K504 V505 S506	I461-V463 HydrophobicContact CG2-CG2 4.43Å; I461-H491 HydrophobicContact CD1-CB 3.9Å; I461-H491 HydrophobicContact CG1-CB 4.16Å; I461-H491 HydrophobicContact CG2-CB 3.67Å; I461-V492 HydrophobicContact CD1-CG2 3.79Å; I461-L495 HydrophobicContact CD1-CD1 3.75Å; I461-L495 HydrophobicContact CD1-CG 4.46Å; I461-L495 HydrophobicContact CG1-CD1 4.25Å; I461-F503 HydrophobicContact CD1-CD2 4.33Å; I461-K504 PolarHBondContact N-O 3.14Å; I461-V505 HydrophobicContact CB-CG1 4.13Å; I461-V505 HydrophobicContact CB-CG2 4.34Å; I461-V505 HydrophobicContact CD1-CG2 4.3Å; I461-V505 HydrophobicContact CG2-CG1 3.98Å; I461-V505 CarbonylContact O-C 3.57Å; I461-S506 PolarHBondContact O-N 2.9Å; I461-S506 PolarHBondContact O-OG 2.92Å
462	G	96.4	Very high	95	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	24%	0.241	C	C	.	.			trans	-139.8	89.1	-178.6	0	0	0	0	0	113.8	R433 N435 N464 S506	R433-G462 PolarHBondContact NH2-O 3.13Å; N435-G462 PolarHBondContact ND2-O 3.11Å; N435-G462 PolarHBondContact OD1-N 2.93Å; N435-G462 VanDerWaalsContact OD1-N 3.12Å; N435-G462 PolarHBondContact OD1-O 3.13Å; G462-N464 PolarHBondContact O-ND2 3.11Å; G462-S506 WeakPolarHBondContact CA-OG 3.22Å
463	V	96.5	Very high	94.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.6	172.3	175.9	0	0	0	0	109.5	I461 L484 S487 A488 S506 V507 K508	I461-V463 HydrophobicContact CG2-CG2 4.43Å; V463-L484 HydrophobicContact CG1-CG 4.25Å; V463-S487 WeakPolarHBondContact CG1-OG 3.48Å; V463-S487 VanDerWaalsContact CG2-OG 3.31Å; V463-S487 WeakPolarHBondContact CG2-OG 3.42Å; V463-A488 HydrophobicContact CG2-CB 4.07Å; V463-S506 PolarHBondContact N-O 3.06Å; V463-V507 HydrophobicContact CB-CG1 4.12Å; V463-V507 HydrophobicContact CG1-CG1 4.49Å; V463-V507 WeakPolarHBondContact O-CA 3.47Å; V463-K508 PolarHBondContact O-N 2.89Å
464	N	94	Very high	94.6	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.2	175	-40.8	-89.2	0	0	0	109.3	G462 G466 S467 L468 K508	G462-N464 PolarHBondContact O-ND2 3.11Å; N464-G466 VanDerWaalsContact C-N 3.25Å; N464-G466 PolarHBondContact O-N 3.12Å; N464-S467 PolarHBondContact ND2-OG 2.78Å; N464-S467 CarbonylContact O-C 3.57Å; N464-S467 PolarHBondContact O-N 3.17Å; N464-S467 PolarHBondContact O-OG 3.46Å; N464-L468 PolarHBondContact O-N 2.95Å; N464-K508 CarbonylContact C-O 3.57Å; N464-K508 VanDerWaalsContact CA-O 3.25Å; N464-K508 WeakPolarHBondContact CA-O 3.33Å
465	A	91.9	Very high	94.6	Very high	14 Å²	14	49.8 Å²	49.8	12%	0.116	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-55.5	-37.9	-177.6	0	0	0	0	0	113.5	S467 P479 L484 K508 A509 L514	A465-S467 VanDerWaalsContact C-N 3.26Å; A465-S467 PolarHBondContact O-N 3.25Å; A465-P479 HydrophobicContact CB-CB 3.95Å; A465-L484 HydrophobicContact CB-CD1 4.06Å; A465-L484 HydrophobicContact CB-CD2 4.21Å; A465-K508 PolarHBondContact N-O 3.03Å; A465-A509 HydrophobicContact CB-CB 4Å; A465-L514 HydrophobicContact CB-CD2 4.36Å
466	G	88.1	Confident	94.4	Very high	76 Å²	76	48.7 Å²	48.7	78%	0.784	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-77.9	0.9	177.2	0	0	0	0	0	115.4	N464	N464-G466 VanDerWaalsContact C-N 3.25Å; N464-G466 PolarHBondContact O-N 3.12Å
467	S	87.5	Confident	94.1	Very high	71 Å²	71	46.4 Å²	46.4	50%	0.497	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-136.5	31.6	-179.8	77.6	0	0	0	0	112.5	N464 A465	N464-S467 PolarHBondContact ND2-OG 2.78Å; N464-S467 CarbonylContact O-C 3.57Å; N464-S467 PolarHBondContact O-N 3.17Å; N464-S467 PolarHBondContact O-OG 3.46Å; A465-S467 VanDerWaalsContact C-N 3.26Å; A465-S467 PolarHBondContact O-N 3.25Å
468	L	89.4	Confident	93.6	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	29%	0.292	C	S	.	.			trans	-69.9	148	179.9	-172.1	69.5	0	0	0	111.5	N464 L472 Q473 A483	N464-L468 PolarHBondContact O-N 2.95Å; L468-L472 HydrophobicContact CD1-CB 4.17Å; L468-L472 HydrophobicContact CD1-CD1 3.81Å; L468-L472 HydrophobicContact CD2-CB 3.96Å; L468-L472 HydrophobicContact CG-CB 3.85Å; L468-L472 HydrophobicContact CG-CD1 4.35Å; L468-Q473 HydrophobicContact CB-CG 4.22Å; L468-Q473 HydrophobicContact CD2-CG 4.11Å; L468-Q473 HydrophobicContact CG-CG 4.38Å; L468-Q473 PolarHBondContact O-NE2 2.93Å; L468-A483 HydrophobicContact CD2-CB 3.85Å
469	E	92.2	Very high	93.1	Very high	40 Å²	40	54.7 Å²	54.7	19%	0.187	31%	0.307	C	S	.	.			trans	-60.6	146.5	178	-61.7	96.1	125.5	0	0	112.9	D471 L472 Q473 S487 H491	E469-D471 VanDerWaalsContact C-N 3.35Å; E469-D471 WeakPolarHBondContact CB-OD1 3.1Å; E469-D471 PolarHBondContact O-N 2.85Å; E469-L472 HydrophobicContact CB-CD1 4.25Å; E469-L472 HydrophobicContact CB-CG 4.46Å; E469-L472 WeakPolarHBondContact O-CB 3.38Å; E469-L472 PolarHBondContact O-N 3.07Å; E469-L472 VanDerWaalsContact O-N 3.13Å; E469-Q473 PolarHBondContact O-N 2.89Å; E469-S487 PolarHBondContact OE1-OG 2.78Å; E469-S487 VanDerWaalsContact OE2-CB 3.31Å; E469-S487 WeakPolarHBondContact OE2-CB 3.31Å; E469-S487 PolarHBondContact OE2-OG 2.88Å; E469-H491 IonicContact OE1-CE1 3.6Å; E469-H491 PolarHBondContact OE1-CE1 2.98Å; E469-H491 VanDerWaalsContact OE1-CE1 3.3Å
470	K	92.5	Very high	92.9	Very high	135 Å²	135	56.1 Å²	56.1	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-62.3	-38.6	-171.8	-178.7	177.1	172.4	-70	0	113	L472 Q473 E474	K470-L472 VanDerWaalsContact C-N 3.32Å; K470-Q473 PolarHBondContact O-N 3.01Å; K470-E474 IonicContact NZ-OE1 3.59Å; K470-E474 PolarHBondContact NZ-OE1 3.19Å; K470-E474 IonicContact NZ-OE2 2.7Å; K470-E474 PolarHBondContact NZ-OE2 3.41Å; K470-E474 WeakPolarHBondContact O-CG 3.21Å; K470-E474 PolarHBondContact O-N 2.6Å
471	D	94.9	Very high	92.8	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-69.2	-31.5	178.4	72.1	-61	0	0	0	112	E469 E474 K475 R490	E469-D471 VanDerWaalsContact C-N 3.35Å; E469-D471 WeakPolarHBondContact CB-OD1 3.1Å; E469-D471 PolarHBondContact O-N 2.85Å; D471-E474 PolarHBondContact O-N 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.3Å; D471-K475 PolarHBondContact O-N 2.95Å; D471-R490 VanDerWaalsContact CG-NH1 3.31Å; D471-R490 IonicContact OD1-NH1 3.63Å; D471-R490 PolarHBondContact OD1-NH1 3.26Å; D471-R490 VanDerWaalsContact OD1-NH1 3.1Å; D471-R490 IonicContact OD2-CZ 3.35Å; D471-R490 IonicContact OD2-NH1 2.85Å; D471-R490 PolarHBondContact OD2-NH1 3.21Å; D471-R490 IonicContact OD2-NH2 2.67Å; D471-R490 PolarHBondContact OD2-NH2 3.36Å
472	L	93.9	Very high	92.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-39.6	172.2	-69	174.7	0	0	0	111.6	L468 E469 K470 E474 K475 Y476 E486 R490	L468-L472 HydrophobicContact CD1-CB 4.17Å; L468-L472 HydrophobicContact CD1-CD1 3.81Å; L468-L472 HydrophobicContact CD2-CB 3.96Å; L468-L472 HydrophobicContact CG-CB 3.85Å; L468-L472 HydrophobicContact CG-CD1 4.35Å; E469-L472 HydrophobicContact CB-CD1 4.25Å; E469-L472 HydrophobicContact CB-CG 4.46Å; E469-L472 WeakPolarHBondContact O-CB 3.38Å; E469-L472 PolarHBondContact O-N 3.07Å; E469-L472 VanDerWaalsContact O-N 3.13Å; K470-L472 VanDerWaalsContact C-N 3.32Å; L472-E474 VanDerWaalsContact C-N 3.31Å; L472-E474 PolarHBondContact O-N 2.9Å; L472-K475 HydrophobicContact CD2-CD 4.5Å; L472-K475 PolarHBondContact O-N 3.15Å; L472-Y476 HydrophobicContact CD2-CD2 4.32Å; L472-Y476 HydrophobicContact CD2-CE2 3.94Å; L472-Y476 WeakPolarHBondContact O-CD2 3.44Å; L472-Y476 PolarHBondContact O-N 3.3Å; L472-E486 HydrophobicContact CD2-CB 3.98Å; L472-E486 HydrophobicContact CD2-CG 3.79Å; L472-E486 WeakPolarHBondContact CD2-OE1 3.35Å; L472-R490 VanDerWaalsContact CD2-NH2 3.31Å
473	Q	91.5	Very high	92.7	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-41.5	170.6	-65.6	-178.2	45.7	0	0	111.4	L468 E469 K470 G477	L468-Q473 HydrophobicContact CB-CG 4.22Å; L468-Q473 HydrophobicContact CD2-CG 4.11Å; L468-Q473 HydrophobicContact CG-CG 4.38Å; L468-Q473 PolarHBondContact O-NE2 2.93Å; E469-Q473 PolarHBondContact O-N 2.89Å; K470-Q473 PolarHBondContact O-N 3.01Å; Q473-G477 VanDerWaalsContact O-CA 3.27Å; Q473-G477 WeakPolarHBondContact O-CA 3.47Å; Q473-G477 PolarHBondContact O-N 3.37Å
474	E	94.2	Very high	92.7	Very high	131 Å²	131	61.2 Å²	61.2	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-70	-35	177	-72.8	174	147.8	0	0	112.9	K470 D471 L472	K470-E474 IonicContact NZ-OE1 3.59Å; K470-E474 PolarHBondContact NZ-OE1 3.19Å; K470-E474 IonicContact NZ-OE2 2.7Å; K470-E474 PolarHBondContact NZ-OE2 3.41Å; K470-E474 WeakPolarHBondContact O-CG 3.21Å; K470-E474 PolarHBondContact O-N 2.6Å; D471-E474 PolarHBondContact O-N 3.23Å; L472-E474 VanDerWaalsContact C-N 3.31Å; L472-E474 PolarHBondContact O-N 2.9Å
475	K	97.1	Very high	92.8	Very high	125 Å²	125	60.9 Å²	60.9	54%	0.543	34%	0.339	S	S	.	.	H	α-helix	trans	-72.6	-40	179	-178.8	-178.8	-177.9	-173.1	0	113.5	D471 L472 E486	D471-K475 WeakPolarHBondContact O-CB 3.3Å; D471-K475 PolarHBondContact O-N 2.95Å; L472-K475 HydrophobicContact CD2-CD 4.5Å; L472-K475 PolarHBondContact O-N 3.15Å; K475-E486 IonicContact NZ-OE1 2.74Å; K475-E486 PolarHBondContact NZ-OE1 2.94Å; K475-E486 IonicContact NZ-OE2 3.51Å; K475-E486 PolarHBondContact NZ-OE2 3Å
476	Y	94.3	Very high	93.1	Very high	74 Å²	74	62.1 Å²	62.1	29%	0.29	34%	0.343	S	S	.	.	H	α-helix	trans	-104.5	-13	-174.7	-69.9	-83.5	0	0	0	114.1	L472 E478 T480 Q482 A483 E486	L472-Y476 HydrophobicContact CD2-CD2 4.32Å; L472-Y476 HydrophobicContact CD2-CE2 3.94Å; L472-Y476 WeakPolarHBondContact O-CD2 3.44Å; L472-Y476 PolarHBondContact O-N 3.3Å; Y476-E478 PolarHBondContact O-N 2.85Å; Y476-T480 WeakPolarHBondContact CD1-OG1 3.39Å; Y476-Q482 HydrophobicContact CE1-CB 3.8Å; Y476-A483 HydrophobicContact CD1-CB 4.32Å; Y476-A483 HydrophobicContact CD2-CB 3.4Å; Y476-A483 HydrophobicContact CE2-CB 3.83Å; Y476-A483 HydrophobicContact CG-CB 3.68Å; Y476-E486 WeakPolarHBondContact CE2-OE2 3.41Å; Y476-E486 PolarHBondContact OH-OE2 2.92Å
477	G	89.5	Confident	93.5	Very high	70 Å²	70	58.6 Å²	58.6	72%	0.722	31%	0.306	S	S	*	.	S	Bend	trans	75	-38.8	-178.7	0	0	0	0	0	114.4	Q473	Q473-G477 VanDerWaalsContact O-CA 3.27Å; Q473-G477 WeakPolarHBondContact O-CA 3.47Å; Q473-G477 PolarHBondContact O-N 3.37Å
478	E	87.4	Confident	94	Very high	136 Å²	136	55.2 Å²	55.2	64%	0.636	28%	0.282	S	S	*	.	S	Bend	trans	-139.5	163.1	173.8	67.6	-176.5	164.6	0	0	111.8	Y476 T480	Y476-E478 PolarHBondContact O-N 2.85Å; E478-T480 HydrophobicContact CG-CG2 4.18Å; E478-T480 PolarHBondContact O-N 3Å
479	P	89.3	Confident	94.4	Very high	54 Å²	54	56.9 Å²	56.9	35%	0.351	29%	0.29	S	S	.	.			trans	-66.9	95.2	176.5	-21	34.5	0	0	0	112.5	A465 L484 L514	A465-P479 HydrophobicContact CB-CB 3.95Å; P479-L484 HydrophobicContact CB-CD1 4.1Å; P479-L514 WeakPolarHBondContact O-CD1 3.09Å; P479-L514 VanDerWaalsContact O-CD2 3.26Å; P479-L514 WeakPolarHBondContact O-CD2 3.43Å
480	T	94	Very high	94.6	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	29%	0.293	C	S	.	.			trans	-94	162.5	174.4	64	0	0	0	0	111.8	Y476 E478 Q482 A483 L484	Y476-T480 WeakPolarHBondContact CD1-OG1 3.39Å; E478-T480 HydrophobicContact CG-CG2 4.18Å; E478-T480 PolarHBondContact O-N 3Å; T480-Q482 PolarHBondContact O-N 2.92Å; T480-A483 WeakPolarHBondContact O-CB 3.27Å; T480-A483 PolarHBondContact O-N 3.47Å; T480-A483 WeakPolarHBondContact OG1-CB 3.28Å; T480-A483 PolarHBondContact OG1-N 3.13Å; T480-A483 VanDerWaalsContact OG1-N 3.16Å; T480-L484 VanDerWaalsContact O-CD1 3.25Å; T480-L484 WeakPolarHBondContact O-CD1 3.33Å; T480-L484 PolarHBondContact O-N 3.27Å
481	S	95.6	Very high	94.8	Very high	16 Å²	16	51.9 Å²	51.9	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-29.9	177.1	46.7	0	0	0	0	112.8	L485 L514 S518	S481-L485 WeakPolarHBondContact O-CB 3.2Å; S481-L485 PolarHBondContact O-N 3.5Å; S481-L514 VanDerWaalsContact N-CD1 3.28Å; S481-S518 WeakPolarHBondContact CA-OG 3.45Å
482	Q	96.6	Very high	94.9	Very high	98 Å²	98	48.4 Å²	48.4	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-38.9	172.7	-66	77.4	1.9	0	0	111.4	Y476 T480 L485 E486	Y476-Q482 HydrophobicContact CE1-CB 3.8Å; T480-Q482 PolarHBondContact O-N 2.92Å; Q482-L485 WeakPolarHBondContact O-CB 3.35Å; Q482-L485 PolarHBondContact O-N 3.22Å; Q482-E486 WeakPolarHBondContact O-CB 3.06Å; Q482-E486 PolarHBondContact O-N 3.1Å
483	A	96.4	Very high	95	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-41.8	176	0	0	0	0	0	112.2	L468 Y476 T480 L485 E486 S487	L468-A483 HydrophobicContact CD2-CB 3.85Å; Y476-A483 HydrophobicContact CD1-CB 4.32Å; Y476-A483 HydrophobicContact CD2-CB 3.4Å; Y476-A483 HydrophobicContact CE2-CB 3.83Å; Y476-A483 HydrophobicContact CG-CB 3.68Å; T480-A483 WeakPolarHBondContact O-CB 3.27Å; T480-A483 PolarHBondContact O-N 3.47Å; T480-A483 WeakPolarHBondContact OG1-CB 3.28Å; T480-A483 PolarHBondContact OG1-N 3.13Å; T480-A483 VanDerWaalsContact OG1-N 3.16Å; A483-L485 VanDerWaalsContact C-N 3.34Å; A483-E486 PolarHBondContact O-N 3.44Å; A483-S487 PolarHBondContact O-N 2.84Å
484	L	96.4	Very high	95.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-37.9	173.7	-87.6	75.1	0	0	0	111.8	V463 A465 P479 T480 A488 V507	V463-L484 HydrophobicContact CG1-CG 4.25Å; A465-L484 HydrophobicContact CB-CD1 4.06Å; A465-L484 HydrophobicContact CB-CD2 4.21Å; P479-L484 HydrophobicContact CB-CD1 4.1Å; T480-L484 VanDerWaalsContact O-CD1 3.25Å; T480-L484 WeakPolarHBondContact O-CD1 3.33Å; T480-L484 PolarHBondContact O-N 3.27Å; L484-A488 WeakPolarHBondContact O-CB 3.33Å; L484-A488 PolarHBondContact O-N 3.1Å; L484-A488 VanDerWaalsContact O-N 3.1Å; L484-V507 HydrophobicContact CB-CG1 4.48Å; L484-V507 HydrophobicContact CD2-CB 4.44Å
485	L	97.3	Very high	95.3	Very high	30 Å²	30	43.1 Å²	43.1	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-48.6	173.1	-178.1	71.2	0	0	0	111.4	S481 Q482 A483 S487 A488 M489 L521 L522 Q525	S481-L485 WeakPolarHBondContact O-CB 3.2Å; S481-L485 PolarHBondContact O-N 3.5Å; Q482-L485 WeakPolarHBondContact O-CB 3.35Å; Q482-L485 PolarHBondContact O-N 3.22Å; A483-L485 VanDerWaalsContact C-N 3.34Å; L485-S487 PolarHBondContact O-N 2.92Å; L485-A488 WeakPolarHBondContact O-CB 3.42Å; L485-A488 PolarHBondContact O-N 2.68Å; L485-A488 VanDerWaalsContact O-N 3.11Å; L485-M489 HydrophobicContact CD1-CG 4.27Å; L485-M489 HydrophobicContact CG-CG 4.29Å; L485-M489 WeakPolarHBondContact O-CG 3.27Å; L485-M489 PolarHBondContact O-N 3.08Å; L485-L521 HydrophobicContact CD1-CB 4.21Å; L485-L521 HydrophobicContact CD2-CB 4.15Å; L485-L522 HydrophobicContact CD1-CB 4.04Å; L485-L522 HydrophobicContact CD1-CD1 4.1Å; L485-Q525 HydrophobicContact CD1-CG 4.09Å; L485-Q525 HydrophobicContact CD2-CG 4.38Å
486	E	97.5	Very high	95.2	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-177.8	-169.9	177.4	151	0	0	112	L472 K475 Y476 Q482 A483 A488 M489 R490	L472-E486 HydrophobicContact CD2-CB 3.98Å; L472-E486 HydrophobicContact CD2-CG 3.79Å; L472-E486 WeakPolarHBondContact CD2-OE1 3.35Å; K475-E486 IonicContact NZ-OE1 2.74Å; K475-E486 PolarHBondContact NZ-OE1 2.94Å; K475-E486 IonicContact NZ-OE2 3.51Å; K475-E486 PolarHBondContact NZ-OE2 3Å; Y476-E486 WeakPolarHBondContact CE2-OE2 3.41Å; Y476-E486 PolarHBondContact OH-OE2 2.92Å; Q482-E486 WeakPolarHBondContact O-CB 3.06Å; Q482-E486 PolarHBondContact O-N 3.1Å; A483-E486 PolarHBondContact O-N 3.44Å; E486-A488 VanDerWaalsContact C-N 3.33Å; E486-A488 PolarHBondContact O-N 3.34Å; E486-M489 PolarHBondContact O-N 2.84Å; E486-R490 WeakPolarHBondContact O-CB 3.3Å; E486-R490 WeakPolarHBondContact O-CD 3.26Å; E486-R490 WeakPolarHBondContact O-CG 3.37Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3.07Å; E486-R490 IonicContact OE1-NE 2.77Å; E486-R490 IonicContact OE1-NH2 3.55Å; E486-R490 PolarHBondContact OE1-NH2 2.91Å
487	S	97.2	Very high	95.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-44.8	170.5	-179.7	0	0	0	0	111.9	V463 E469 A483 L485 H491	V463-S487 WeakPolarHBondContact CG1-OG 3.48Å; V463-S487 VanDerWaalsContact CG2-OG 3.31Å; V463-S487 WeakPolarHBondContact CG2-OG 3.42Å; E469-S487 PolarHBondContact OE1-OG 2.78Å; E469-S487 VanDerWaalsContact OE2-CB 3.31Å; E469-S487 WeakPolarHBondContact OE2-CB 3.31Å; E469-S487 PolarHBondContact OE2-OG 2.88Å; A483-S487 PolarHBondContact O-N 2.84Å; L485-S487 PolarHBondContact O-N 2.92Å; S487-H491 PolarHBondContact O-N 3.03Å
488	A	97.5	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-45.4	179.4	0	0	0	0	0	112.2	V463 L484 L485 E486 H491 V492 V505 V507 L522	V463-A488 HydrophobicContact CG2-CB 4.07Å; L484-A488 WeakPolarHBondContact O-CB 3.33Å; L484-A488 PolarHBondContact O-N 3.1Å; L484-A488 VanDerWaalsContact O-N 3.1Å; L485-A488 WeakPolarHBondContact O-CB 3.42Å; L485-A488 PolarHBondContact O-N 2.68Å; L485-A488 VanDerWaalsContact O-N 3.11Å; E486-A488 VanDerWaalsContact C-N 3.33Å; E486-A488 PolarHBondContact O-N 3.34Å; A488-H491 WeakPolarHBondContact O-CB 3.34Å; A488-H491 PolarHBondContact O-N 3.21Å; A488-V492 WeakPolarHBondContact O-CG2 3.32Å; A488-V492 PolarHBondContact O-N 3.01Å; A488-V505 HydrophobicContact CB-CG1 4.13Å; A488-V507 HydrophobicContact CB-CG1 3.67Å; A488-L522 HydrophobicContact CB-CD1 4.05Å
489	M	97.6	Very high	96	Very high	41 Å²	41	41.2 Å²	41.2	20%	0.202	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-42.8	179	-64.8	-48.4	-59.8	0	0	111.7	L485 E486 H491 V492 D493 L522 Q525 I526	L485-M489 HydrophobicContact CD1-CG 4.27Å; L485-M489 HydrophobicContact CG-CG 4.29Å; L485-M489 WeakPolarHBondContact O-CG 3.27Å; L485-M489 PolarHBondContact O-N 3.08Å; E486-M489 PolarHBondContact O-N 2.84Å; M489-H491 PolarHBondContact O-N 2.53Å; M489-H491 VanDerWaalsContact O-N 3.12Å; M489-V492 HydrophobicContact CE-CB 4.44Å; M489-V492 HydrophobicContact CE-CG1 4.3Å; M489-V492 CarbonylContact O-C 3.58Å; M489-V492 WeakPolarHBondContact O-CA 3.43Å; M489-V492 WeakPolarHBondContact O-CB 3.16Å; M489-V492 PolarHBondContact O-N 3.4Å; M489-D493 PolarHBondContact O-N 2.92Å; M489-L522 HydrophobicContact SD-CD1 4.16Å; M489-Q525 HydrophobicContact CE-CB 4.3Å; M489-Q525 HydrophobicContact SD-CB 3.87Å; M489-I526 HydrophobicContact CE-CG2 3.95Å; M489-I526 HydrophobicContact SD-CG2 3.83Å
490	R	96.2	Very high	96.3	Very high	67 Å²	67	38.9 Å²	38.9	25%	0.253	19%	0.188	S	C	.	.	H	α-helix	trans	-52.8	-37.4	172.4	-73.1	164.5	179.9	-148.9	1	112.7	D471 L472 E486 D493 H494	D471-R490 VanDerWaalsContact CG-NH1 3.31Å; D471-R490 IonicContact OD1-NH1 3.63Å; D471-R490 PolarHBondContact OD1-NH1 3.26Å; D471-R490 VanDerWaalsContact OD1-NH1 3.1Å; D471-R490 IonicContact OD2-CZ 3.35Å; D471-R490 IonicContact OD2-NH1 2.85Å; D471-R490 PolarHBondContact OD2-NH1 3.21Å; D471-R490 IonicContact OD2-NH2 2.67Å; D471-R490 PolarHBondContact OD2-NH2 3.36Å; L472-R490 VanDerWaalsContact CD2-NH2 3.31Å; E486-R490 WeakPolarHBondContact O-CB 3.3Å; E486-R490 WeakPolarHBondContact O-CD 3.26Å; E486-R490 WeakPolarHBondContact O-CG 3.37Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3.07Å; E486-R490 IonicContact OE1-NE 2.77Å; E486-R490 IonicContact OE1-NH2 3.55Å; E486-R490 PolarHBondContact OE1-NH2 2.91Å; R490-D493 WeakPolarHBondContact CA-OD2 3.43Å; R490-H494 PolarHBondContact O-CD2 3.25Å
491	H	96.4	Very high	96.4	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-76.3	-30.7	177.3	-72.6	10.7	0	0	0	113	N435 I461 E469 S487 A488 M489	N435-H491 WeakPolarHBondContact CB-NE2 3.44Å; N435-H491 PolarHBondContact ND2-CD2 3.04Å; N435-H491 PolarHBondContact ND2-NE2 3.33Å; I461-H491 HydrophobicContact CD1-CB 3.9Å; I461-H491 HydrophobicContact CG1-CB 4.16Å; I461-H491 HydrophobicContact CG2-CB 3.67Å; E469-H491 IonicContact OE1-CE1 3.6Å; E469-H491 PolarHBondContact OE1-CE1 2.98Å; E469-H491 VanDerWaalsContact OE1-CE1 3.3Å; S487-H491 PolarHBondContact O-N 3.03Å; A488-H491 WeakPolarHBondContact O-CB 3.34Å; A488-H491 PolarHBondContact O-N 3.21Å; M489-H491 PolarHBondContact O-N 2.53Å; M489-H491 VanDerWaalsContact O-N 3.12Å
492	V	96.9	Very high	96.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-44.8	170.6	169.5	0	0	0	0	110.8	I461 A488 M489 H494 L495 D496 F503 V505 I526	I461-V492 HydrophobicContact CD1-CG2 3.79Å; A488-V492 WeakPolarHBondContact O-CG2 3.32Å; A488-V492 PolarHBondContact O-N 3.01Å; M489-V492 HydrophobicContact CE-CB 4.44Å; M489-V492 HydrophobicContact CE-CG1 4.3Å; M489-V492 CarbonylContact O-C 3.58Å; M489-V492 WeakPolarHBondContact O-CA 3.43Å; M489-V492 WeakPolarHBondContact O-CB 3.16Å; M489-V492 PolarHBondContact O-N 3.4Å; V492-H494 PolarHBondContact O-N 2.99Å; V492-L495 WeakPolarHBondContact O-CA 3.29Å; V492-L495 PolarHBondContact O-N 2.73Å; V492-D496 WeakPolarHBondContact CG1-OD2 3.03Å; V492-D496 PolarHBondContact O-N 2.74Å; V492-F503 HydrophobicContact CB-CZ 4.44Å; V492-F503 HydrophobicContact CG1-CE2 4.34Å; V492-F503 HydrophobicContact CG1-CZ 3.8Å; V492-F503 HydrophobicContact CG2-CE2 3.79Å; V492-F503 HydrophobicContact CG2-CZ 4.09Å; V492-V505 HydrophobicContact CG2-CG2 4.05Å; V492-I526 HydrophobicContact CG2-CG2 4.47Å
493	D	96.4	Very high	96.6	Very high	77 Å²	77	38.6 Å²	38.6	41%	0.412	19%	0.186	S	C	.	.	H	α-helix	trans	-55.6	-23.1	175.6	-60.2	-30.8	0	0	0	113.2	M489 R490 R497	M489-D493 PolarHBondContact O-N 2.92Å; R490-D493 WeakPolarHBondContact CA-OD2 3.43Å; D493-R497 WeakPolarHBondContact O-CB 3.25Å; D493-R497 WeakPolarHBondContact O-CD 3.44Å; D493-R497 WeakPolarHBondContact O-CG 3.41Å; D493-R497 PolarHBondContact O-N 3.3Å; D493-R497 PolarHBondContact O-NE 3.06Å
494	H	95.7	Very high	96.7	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.19	19%	0.186	C	C	.	.	H	α-helix	trans	-77.5	-32.3	172.7	-81.6	-71.8	0	0	0	113.4	P436 I445 R490 V492 R497 L498	P436-H494 HydrophobicContact CB-CB 3.64Å; P436-H494 HydrophobicContact CG-CB 4.3Å; I445-H494 WeakPolarHBondContact CD1-ND1 3.28Å; I445-H494 HydrophobicContact CG2-CB 4.45Å; R490-H494 PolarHBondContact O-CD2 3.25Å; V492-H494 PolarHBondContact O-N 2.99Å; H494-R497 PolarHBondContact ND1-NH2 3.42Å; H494-R497 VanDerWaalsContact ND1-NH2 3.2Å; H494-L498 WeakPolarHBondContact O-CD1 3.38Å; H494-L498 WeakPolarHBondContact O-CG 3.26Å
495	L	96.4	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-84.2	-40.9	178.7	-58.6	-175.8	0	0	0	111.1	P436 V449 I459 I461 V492 R497 L498 N499 F500 F503	P436-L495 HydrophobicContact CG-CD2 4.14Å; P436-L495 HydrophobicContact CG-CG 4.39Å; V449-L495 HydrophobicContact CG2-CD2 3.59Å; I459-L495 HydrophobicContact CD1-CD2 4Å; I459-L495 HydrophobicContact CG2-CD1 4.26Å; I461-L495 HydrophobicContact CD1-CD1 3.75Å; I461-L495 HydrophobicContact CD1-CG 4.46Å; I461-L495 HydrophobicContact CG1-CD1 4.25Å; V492-L495 WeakPolarHBondContact O-CA 3.29Å; V492-L495 PolarHBondContact O-N 2.73Å; L495-R497 PolarHBondContact O-N 2.88Å; L495-L498 CarbonylContact O-C 3.56Å; L495-L498 WeakPolarHBondContact O-CA 3.38Å; L495-L498 PolarHBondContact O-N 3.11Å; L495-N499 PolarHBondContact O-N 2.92Å; L495-N499 VanDerWaalsContact O-N 3.12Å; L495-F500 HydrophobicContact CB-CB 4.44Å; L495-F500 HydrophobicContact CB-CD1 4.46Å; L495-F500 HydrophobicContact CD1-CD1 4.27Å; L495-F500 HydrophobicContact CD2-CD1 4.27Å; L495-F500 PolarHBondContact O-N 3.16Å; L495-F503 HydrophobicContact CB-CD1 4.16Å; L495-F503 HydrophobicContact CB-CE1 4.13Å; L495-F503 HydrophobicContact CD1-CB 3.72Å; L495-F503 HydrophobicContact CD1-CD1 3.54Å; L495-F503 HydrophobicContact CD1-CD2 4.25Å; L495-F503 HydrophobicContact CD1-CE1 4.14Å; L495-F503 HydrophobicContact CD1-CG 3.59Å
496	D	95.5	Very high	96.8	Very high	74 Å²	74	37.3 Å²	37.3	40%	0.396	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-43.9	178.7	-70.6	-1.7	0	0	0	111.4	V492 L498 N499	V492-D496 WeakPolarHBondContact CG1-OD2 3.03Å; V492-D496 PolarHBondContact O-N 2.74Å; D496-L498 PolarHBondContact O-N 3.28Å; D496-L498 VanDerWaalsContact O-N 3.08Å; D496-N499 PolarHBondContact O-N 2.85Å
497	R	96.1	Very high	96.8	Very high	133 Å²	133	35.3 Å²	35.3	50%	0.502	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.4	173.1	-69.1	-176.1	-54.3	121.4	-3.5	114.2	E442 D493 H494 L495	E442-R497 IonicContact OE2-CZ 3.53Å; E442-R497 IonicContact OE2-NH1 2.7Å; E442-R497 PolarHBondContact OE2-NH1 3.06Å; E442-R497 IonicContact OE2-NH2 3.59Å; E442-R497 PolarHBondContact OE2-NH2 2.87Å; D493-R497 WeakPolarHBondContact O-CB 3.25Å; D493-R497 WeakPolarHBondContact O-CD 3.44Å; D493-R497 WeakPolarHBondContact O-CG 3.41Å; D493-R497 PolarHBondContact O-N 3.3Å; D493-R497 PolarHBondContact O-NE 3.06Å; H494-R497 PolarHBondContact ND1-NH2 3.42Å; H494-R497 VanDerWaalsContact ND1-NH2 3.2Å; L495-R497 PolarHBondContact O-N 2.88Å
498	L	95.5	Very high	96.8	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	10.8	174.2	-64.9	175.6	0	0	0	112.4	I445 R446 V449 R453 H494 L495 D496 F500	I445-L498 HydrophobicContact CG2-CD1 3.91Å; R446-L498 HydrophobicContact CB-CD1 4.34Å; R446-L498 HydrophobicContact CB-CD2 4.18Å; R446-L498 HydrophobicContact CG-CD2 4.16Å; V449-L498 HydrophobicContact CB-CD1 3.92Å; V449-L498 HydrophobicContact CG1-CB 3.91Å; V449-L498 HydrophobicContact CG1-CD1 4.08Å; V449-L498 HydrophobicContact CG2-CD1 3.88Å; R453-L498 PolarHBondContact NH2-O 3.29Å; H494-L498 WeakPolarHBondContact O-CD1 3.38Å; H494-L498 WeakPolarHBondContact O-CG 3.26Å; L495-L498 CarbonylContact O-C 3.56Å; L495-L498 WeakPolarHBondContact O-CA 3.38Å; L495-L498 PolarHBondContact O-N 3.11Å; D496-L498 PolarHBondContact O-N 3.28Å; D496-L498 VanDerWaalsContact O-N 3.08Å; L498-F500 PolarHBondContact O-N 3.11Å
499	N	95.3	Very high	96.7	Very high	144 Å²	144	35.9 Å²	35.9	77%	0.77	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	54.2	-177.5	-55.9	-74.2	0	0	0	111.9	L495 D496	L495-N499 PolarHBondContact O-N 2.92Å; L495-N499 VanDerWaalsContact O-N 3.12Å; D496-N499 PolarHBondContact O-N 2.85Å
500	F	96.8	Very high	96.6	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	18%	0.179	C	C	.	.			trans	-123.8	103	179.2	-175	-87.4	0	0	0	110	V449 A452 R453 I459 L495 L498 Q502 F503	V449-F500 HydrophobicContact CG1-CB 3.59Å; V449-F500 HydrophobicContact CG1-CD2 3.82Å; V449-F500 HydrophobicContact CG1-CG 3.75Å; A452-F500 HydrophobicContact CB-CE2 4.02Å; A452-F500 HydrophobicContact CB-CZ 4.12Å; R453-F500 HydrophobicContact CB-CD2 4.1Å; R453-F500 HydrophobicContact CB-CE2 4.18Å; R453-F500 HydrophobicContact CG-CD2 4.34Å; I459-F500 HydrophobicContact CB-CE1 3.92Å; I459-F500 HydrophobicContact CB-CZ 4.5Å; I459-F500 HydrophobicContact CD1-CD1 4.13Å; I459-F500 HydrophobicContact CD1-CE1 3.62Å; I459-F500 HydrophobicContact CD1-CZ 3.9Å; I459-F500 HydrophobicContact CG1-CE1 3.75Å; I459-F500 HydrophobicContact CG1-CZ 3.94Å; L495-F500 HydrophobicContact CB-CB 4.44Å; L495-F500 HydrophobicContact CB-CD1 4.46Å; L495-F500 HydrophobicContact CD1-CD1 4.27Å; L495-F500 HydrophobicContact CD2-CD1 4.27Å; L495-F500 PolarHBondContact O-N 3.16Å; L498-F500 PolarHBondContact O-N 3.11Å; F500-Q502 HydrophobicContact CE1-CB 4.09Å; F500-Q502 WeakPolarHBondContact CE1-O 3.37Å; F500-Q502 HydrophobicContact CE2-CB 4.33Å; F500-Q502 HydrophobicContact CZ-CB 3.85Å; F500-F503 HydrophobicContact CD1-CD1 4.41Å; F500-F503 HydrophobicContact CE1-CB 4.36Å; F500-F503 VanDerWaalsContact O-CD1 3.22Å; F500-F503 WeakPolarHBondContact O-CD1 3.42Å; F500-F503 WeakPolarHBondContact O-CE1 3.49Å
501	D	95.5	Very high	96.5	Very high	89 Å²	89	37 Å²	37	48%	0.476	19%	0.188	S	C	.	.			trans	-96	-14.1	-176.4	67.3	-16.8	0	0	0	113.9	F503	D501-F503 PolarHBondContact O-N 3.4Å
502	Q	97.5	Very high	96.5	Very high	48 Å²	48	37.6 Å²	37.6	22%	0.224	19%	0.192	C	C	.	.			trans	-75.1	58.9	-177	-61.8	-52	-63.6	0	0	112.5	P458 I459 F500	P458-Q502 CarbonylContact C-O 3.5Å; P458-Q502 WeakPolarHBondContact CA-O 3.45Å; P458-Q502 VanDerWaalsContact CB-O 3.26Å; P458-Q502 WeakPolarHBondContact CB-O 3.48Å; I459-Q502 PolarHBondContact N-O 3.2Å; F500-Q502 HydrophobicContact CE1-CB 4.09Å; F500-Q502 WeakPolarHBondContact CE1-O 3.37Å; F500-Q502 HydrophobicContact CE2-CB 4.33Å; F500-Q502 HydrophobicContact CZ-CB 3.85Å
503	F	98.4	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	168.3	179.8	68	-96.7	0	0	0	114.4	I459 I461 V492 L495 F500 D501 V505 Q528	I459-F503 HydrophobicContact CB-CB 4.31Å; I459-F503 CarbonylContact O-C 3.59Å; I459-F503 WeakPolarHBondContact O-CA 3.44Å; I459-F503 VanDerWaalsContact O-CB 3.22Å; I459-F503 WeakPolarHBondContact O-CB 3.01Å; I461-F503 HydrophobicContact CD1-CD2 4.33Å; V492-F503 HydrophobicContact CB-CZ 4.44Å; V492-F503 HydrophobicContact CG1-CE2 4.34Å; V492-F503 HydrophobicContact CG1-CZ 3.8Å; V492-F503 HydrophobicContact CG2-CE2 3.79Å; V492-F503 HydrophobicContact CG2-CZ 4.09Å; L495-F503 HydrophobicContact CB-CD1 4.16Å; L495-F503 HydrophobicContact CB-CE1 4.13Å; L495-F503 HydrophobicContact CD1-CB 3.72Å; L495-F503 HydrophobicContact CD1-CD1 3.54Å; L495-F503 HydrophobicContact CD1-CD2 4.25Å; L495-F503 HydrophobicContact CD1-CE1 4.14Å; L495-F503 HydrophobicContact CD1-CG 3.59Å; F500-F503 HydrophobicContact CD1-CD1 4.41Å; F500-F503 HydrophobicContact CE1-CB 4.36Å; F500-F503 VanDerWaalsContact O-CD1 3.22Å; F500-F503 WeakPolarHBondContact O-CD1 3.42Å; F500-F503 WeakPolarHBondContact O-CE1 3.49Å; D501-F503 PolarHBondContact O-N 3.4Å; F503-V505 HydrophobicContact CD2-CG2 3.67Å; F503-V505 HydrophobicContact CE2-CG2 3.64Å; F503-Q528 HydrophobicContact CD1-CG 4.22Å; F503-Q528 HydrophobicContact CD2-CB 3.83Å; F503-Q528 HydrophobicContact CD2-CG 3.85Å; F503-Q528 HydrophobicContact CE1-CG 3.9Å; F503-Q528 HydrophobicContact CE2-CB 3.58Å; F503-Q528 HydrophobicContact CE2-CG 3.47Å; F503-Q528 VanDerWaalsContact CE2-CG 3.47Å; F503-Q528 HydrophobicContact CG-CG 4.21Å; F503-Q528 HydrophobicContact CZ-CB 4.15Å; F503-Q528 HydrophobicContact CZ-CG 3.51Å; F503-Q528 VanDerWaalsContact CZ-NE2 3.34Å
504	K	98.5	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.3	170.8	46.1	170.1	167.8	-177.4	0	110.2	I342 I349 I459 R460 I461 P529 T562	I342-K504 HydrophobicContact CD1-CB 3.77Å; I342-K504 HydrophobicContact CD1-CD 3.89Å; I342-K504 HydrophobicContact CD1-CG 3.61Å; I349-K504 HydrophobicContact CD1-CD 4.13Å; I349-K504 VanDerWaalsContact CD1-NZ 3.31Å; I459-K504 PolarHBondContact O-N 2.85Å; R460-K504 CarbonylContact C-O 3.58Å; R460-K504 VanDerWaalsContact CA-O 3.23Å; R460-K504 WeakPolarHBondContact CA-O 3.44Å; R460-K504 HydrophobicContact CB-CD 4.33Å; R460-K504 HydrophobicContact CB-CG 3.89Å; R460-K504 HydrophobicContact CG-CD 4.24Å; R460-K504 HydrophobicContact CG-CG 3.93Å; I461-K504 PolarHBondContact N-O 3.14Å; K504-P529 CarbonylContact C-O 3.33Å; K504-P529 WeakPolarHBondContact CA-O 3.45Å; K504-P529 HydrophobicContact CB-CB 4.14Å; K504-P529 WeakPolarHBondContact CB-O 3.48Å; K504-T562 HydrophobicContact CD-CG2 4.41Å
505	V	98.4	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-120	153.8	-172.4	-168.6	0	0	0	0	111.4	I461 A488 V492 F503 L522 I526 P529 H531	I461-V505 HydrophobicContact CB-CG1 4.13Å; I461-V505 HydrophobicContact CB-CG2 4.34Å; I461-V505 HydrophobicContact CD1-CG2 4.3Å; I461-V505 HydrophobicContact CG2-CG1 3.98Å; I461-V505 CarbonylContact O-C 3.57Å; A488-V505 HydrophobicContact CB-CG1 4.13Å; V492-V505 HydrophobicContact CG2-CG2 4.05Å; F503-V505 HydrophobicContact CD2-CG2 3.67Å; F503-V505 HydrophobicContact CE2-CG2 3.64Å; V505-L522 HydrophobicContact CB-CD2 4.01Å; V505-L522 HydrophobicContact CG1-CD1 4.24Å; V505-L522 HydrophobicContact CG1-CD2 3.59Å; V505-I526 HydrophobicContact CB-CD1 3.73Å; V505-I526 HydrophobicContact CG1-CD1 4.45Å; V505-I526 HydrophobicContact CG2-CD1 3.46Å; V505-I526 VanDerWaalsContact CG2-CD1 3.46Å; V505-P529 PolarHBondContact N-O 2.95Å; V505-H531 PolarHBondContact O-N 3.45Å
506	S	98.1	Very high	96.5	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.021	21%	0.206	C	C	.	.			trans	-148.9	137.4	174.7	51.6	0	0	0	0	111.9	I461 G462 V463 H531	I461-S506 PolarHBondContact O-N 2.9Å; I461-S506 PolarHBondContact O-OG 2.92Å; G462-S506 WeakPolarHBondContact CA-OG 3.22Å; V463-S506 PolarHBondContact N-O 3.06Å; S506-H531 WeakPolarHBondContact CB-O 3.49Å
507	V	97.3	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	89.3	-176	-80.1	0	0	0	0	109.4	V463 L484 A488 Y519 L522	V463-V507 HydrophobicContact CB-CG1 4.12Å; V463-V507 HydrophobicContact CG1-CG1 4.49Å; V463-V507 WeakPolarHBondContact O-CA 3.47Å; L484-V507 HydrophobicContact CB-CG1 4.48Å; L484-V507 HydrophobicContact CD2-CB 4.44Å; A488-V507 HydrophobicContact CB-CG1 3.67Å; V507-Y519 HydrophobicContact CG2-CD1 3.74Å; V507-Y519 HydrophobicContact CG2-CD2 4.09Å; V507-Y519 HydrophobicContact CG2-CE1 3.89Å; V507-Y519 HydrophobicContact CG2-CE2 4.2Å; V507-Y519 HydrophobicContact CG2-CG 3.84Å; V507-Y519 PolarHBondContact N-OH 3.29Å; V507-Y519 WeakPolarHBondContact O-CE2 3.12Å; V507-L522 HydrophobicContact CB-CD2 4.48Å; V507-L522 HydrophobicContact CG1-CD2 3.97Å; V507-L522 HydrophobicContact CG2-CB 4.33Å; V507-L522 HydrophobicContact CG2-CD2 3.7Å
508	K	97.1	Very high	96.7	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.1	-166.9	-54	-160.1	178.7	-155.1	0	112.6	V463 N464 A465 H531 L532 G533 T535	V463-K508 PolarHBondContact O-N 2.89Å; N464-K508 CarbonylContact C-O 3.57Å; N464-K508 VanDerWaalsContact CA-O 3.25Å; N464-K508 WeakPolarHBondContact CA-O 3.33Å; A465-K508 PolarHBondContact N-O 3.03Å; K508-H531 PolarHBondContact NZ-CD2 2.83Å; K508-H531 VanDerWaalsContact NZ-CD2 3.26Å; K508-H531 PolarHBondContact NZ-NE2 3.48Å; K508-L532 PolarHBondContact NZ-O 3.28Å; K508-G533 WeakPolarHBondContact CD-O 3.45Å; K508-G533 WeakPolarHBondContact CG-O 3.41Å; K508-T535 HydrophobicContact CB-CG2 4.18Å
509	A	95.6	Very high	96.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.174	C	C	.	.			trans	-127.1	165.1	168	0	0	0	0	0	110.7	A465 L514 A515 T535	A465-A509 HydrophobicContact CB-CB 4Å; A509-L514 HydrophobicContact CB-CB 4.12Å; A509-L514 HydrophobicContact CB-CD2 3.74Å; A509-L514 HydrophobicContact CB-CG 3.73Å; A509-A515 HydrophobicContact CB-CB 4.06Å; A509-T535 VanDerWaalsContact C-CG2 3.47Å; A509-T535 PolarHBondContact O-N 3.23Å
510	S	94.6	Very high	96.8	Very high	48 Å²	48	30 Å²	30	34%	0.336	15%	0.148	S	C	.	.	S	Bend	trans	-98.5	-14.3	177.2	57.3	0	0	0	0	113.4	T535 K546	S510-T535 VanDerWaalsContact CA-O 3.24Å; S510-T535 WeakPolarHBondContact CA-O 3.17Å; S510-T535 VanDerWaalsContact CB-O 3.27Å; S510-T535 WeakPolarHBondContact CB-O 3.31Å; S510-K546 WeakPolarHBondContact O-CD 3.48Å; S510-K546 PolarHBondContact O-NZ 3.35Å
511	D	95.4	Very high	96.8	Very high	82 Å²	82	31.4 Å²	31.4	44%	0.439	16%	0.156	S	C	.	.	S	Bend	trans	-81.2	146.7	155.1	176.5	-107.1	0	0	0	110.8	F513 L514 A515	D511-F513 PolarHBondContact OD1-N 3.16Å; D511-L514 HydrophobicContact CB-CB 4.18Å; D511-L514 PolarHBondContact OD1-N 3.39Å; D511-A515 WeakPolarHBondContact O-CB 3.32Å; D511-A515 PolarHBondContact O-N 2.97Å
512	V	96.1	Very high	96.9	Very high	17 Å²	17	27.1 Å²	27.1	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-78	-44.2	-176.2	171.7	0	0	0	0	112.2	A515 V516 K546 I549 L553	V512-A515 PolarHBondContact O-N 3.09Å; V512-V516 HydrophobicContact CG1-CG2 4.29Å; V512-V516 WeakPolarHBondContact O-CB 3.39Å; V512-V516 WeakPolarHBondContact O-CG2 3.23Å; V512-V516 PolarHBondContact O-N 2.89Å; V512-K546 HydrophobicContact CG2-CD 4.16Å; V512-K546 HydrophobicContact CG2-CG 3.49Å; V512-K546 VanDerWaalsContact CG2-CG 3.49Å; V512-I549 HydrophobicContact CG1-CG2 4.15Å; V512-L553 HydrophobicContact CG1-CD1 4.46Å
513	F	95.4	Very high	96.8	Very high	156 Å²	156	25.2 Å²	25.2	68%	0.684	13%	0.126	S	C	*	.	H	α-helix	trans	-73.2	-39.3	-174.9	-65.1	-72.7	0	0	0	111.4	D511 A515 V516 E517	D511-F513 PolarHBondContact OD1-N 3.16Å; F513-A515 PolarHBondContact O-N 2.85Å; F513-V516 PolarHBondContact O-N 2.82Å; F513-E517 WeakPolarHBondContact O-CB 3.46Å; F513-E517 PolarHBondContact O-N 3.43Å
514	L	95.4	Very high	96.6	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-44.8	171.6	176.9	58.7	0	0	0	111.8	A465 P479 S481 A509 D511 S518	A465-L514 HydrophobicContact CB-CD2 4.36Å; P479-L514 WeakPolarHBondContact O-CD1 3.09Å; P479-L514 VanDerWaalsContact O-CD2 3.26Å; P479-L514 WeakPolarHBondContact O-CD2 3.43Å; S481-L514 VanDerWaalsContact N-CD1 3.28Å; A509-L514 HydrophobicContact CB-CB 4.12Å; A509-L514 HydrophobicContact CB-CD2 3.74Å; A509-L514 HydrophobicContact CB-CG 3.73Å; D511-L514 HydrophobicContact CB-CB 4.18Å; D511-L514 PolarHBondContact OD1-N 3.39Å; L514-S518 VanDerWaalsContact O-CB 3.3Å; L514-S518 WeakPolarHBondContact O-CB 3.49Å; L514-S518 PolarHBondContact O-N 2.87Å; L514-S518 PolarHBondContact O-OG 3.01Å
515	A	97.2	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-51.3	176.9	0	0	0	0	0	111.6	A509 D511 V512 F513 E517 S518 Y519 I534	A509-A515 HydrophobicContact CB-CB 4.06Å; D511-A515 WeakPolarHBondContact O-CB 3.32Å; D511-A515 PolarHBondContact O-N 2.97Å; V512-A515 PolarHBondContact O-N 3.09Å; F513-A515 PolarHBondContact O-N 2.85Å; A515-E517 PolarHBondContact O-N 3.18Å; A515-S518 PolarHBondContact O-N 3.07Å; A515-Y519 VanDerWaalsContact O-CD2 3.28Å; A515-Y519 WeakPolarHBondContact O-CD2 3.39Å; A515-Y519 PolarHBondContact O-N 3.14Å; A515-I534 HydrophobicContact CB-CD1 3.5Å; A515-I534 VanDerWaalsContact CB-CD1 3.5Å
516	V	97.1	Very high	96.4	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-47.3	-178.9	169.8	0	0	0	0	111.2	V512 F513 Y519 R520 G550 L553 L554	V512-V516 HydrophobicContact CG1-CG2 4.29Å; V512-V516 WeakPolarHBondContact O-CB 3.39Å; V512-V516 WeakPolarHBondContact O-CG2 3.23Å; V512-V516 PolarHBondContact O-N 2.89Å; F513-V516 PolarHBondContact O-N 2.82Å; V516-Y519 PolarHBondContact O-N 2.88Å; V516-R520 VanDerWaalsContact CG1-CZ 3.48Å; V516-R520 WeakPolarHBondContact O-CG 3.1Å; V516-R520 PolarHBondContact O-N 3.44Å; V516-G550 WeakPolarHBondContact CG2-O 3.37Å; V516-L553 HydrophobicContact CG1-CB 4.33Å; V516-L553 HydrophobicContact CG2-CB 4.15Å; V516-L553 HydrophobicContact CG2-CD1 3.99Å; V516-L554 HydrophobicContact CG1-CD2 4.06Å; V516-L554 HydrophobicContact CG1-CG 4.37Å; V516-L554 HydrophobicContact CG2-CD1 4.47Å; V516-L554 HydrophobicContact CG2-CG 4.23Å
517	E	96.9	Very high	96.2	Very high	62 Å²	62	42.9 Å²	42.9	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-71.1	-33	-179.6	-160.4	56.8	-147.2	0	0	112.3	F513 A515 Y519 R520 L521	F513-E517 WeakPolarHBondContact O-CB 3.46Å; F513-E517 PolarHBondContact O-N 3.43Å; A515-E517 PolarHBondContact O-N 3.18Å; E517-Y519 PolarHBondContact O-N 3.01Å; E517-R520 PolarHBondContact O-N 3.32Å; E517-R520 VanDerWaalsContact OE2-CD 3.24Å; E517-R520 WeakPolarHBondContact OE2-CD 3.44Å; E517-R520 IonicContact OE2-CZ 3.46Å; E517-R520 IonicContact OE2-NE 2.71Å; E517-R520 IonicContact OE2-NH1 3.13Å; E517-R520 PolarHBondContact OE2-NH1 2.81Å; E517-L521 WeakPolarHBondContact O-CB 3.47Å; E517-L521 VanDerWaalsContact O-CG 3.31Å; E517-L521 WeakPolarHBondContact O-CG 3.29Å; E517-L521 PolarHBondContact O-N 3.24Å
518	S	97.7	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-44.6	172	-57	0	0	0	0	111.9	S481 L514 A515 L521 L522	S481-S518 WeakPolarHBondContact CA-OG 3.45Å; L514-S518 VanDerWaalsContact O-CB 3.3Å; L514-S518 WeakPolarHBondContact O-CB 3.49Å; L514-S518 PolarHBondContact O-N 2.87Å; L514-S518 PolarHBondContact O-OG 3.01Å; A515-S518 PolarHBondContact O-N 3.07Å; S518-L521 PolarHBondContact O-N 3.37Å; S518-L522 VanDerWaalsContact O-CB 3.32Å; S518-L522 WeakPolarHBondContact O-CB 3.39Å; S518-L522 PolarHBondContact O-N 3.39Å
519	Y	98.2	Very high	96.3	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-39.5	176.2	-82.2	-73.5	0	0	0	112.3	V507 A515 V516 E517 L521 L522 A523 H531 L532 G533 L554	V507-Y519 HydrophobicContact CG2-CD1 3.74Å; V507-Y519 HydrophobicContact CG2-CD2 4.09Å; V507-Y519 HydrophobicContact CG2-CE1 3.89Å; V507-Y519 HydrophobicContact CG2-CE2 4.2Å; V507-Y519 HydrophobicContact CG2-CG 3.84Å; V507-Y519 PolarHBondContact N-OH 3.29Å; V507-Y519 WeakPolarHBondContact O-CE2 3.12Å; A515-Y519 VanDerWaalsContact O-CD2 3.28Å; A515-Y519 WeakPolarHBondContact O-CD2 3.39Å; A515-Y519 PolarHBondContact O-N 3.14Å; V516-Y519 PolarHBondContact O-N 2.88Å; E517-Y519 PolarHBondContact O-N 3.01Å; Y519-L521 VanDerWaalsContact C-N 3.35Å; Y519-L521 PolarHBondContact O-N 2.95Å; Y519-L522 PolarHBondContact O-N 3.49Å; Y519-A523 WeakPolarHBondContact O-CB 3.4Å; Y519-A523 PolarHBondContact O-N 3.47Å; Y519-H531 PolarHBondContact OH-O 2.73Å; Y519-L532 HydrophobicContact CD1-CD2 3.58Å; Y519-L532 HydrophobicContact CD2-CD2 4.43Å; Y519-L532 HydrophobicContact CE1-CD2 3.62Å; Y519-L532 HydrophobicContact CE2-CD2 4.5Å; Y519-L532 HydrophobicContact CG-CD2 4.02Å; Y519-L532 WeakPolarHBondContact OH-CA 3.44Å; Y519-G533 PolarHBondContact OH-N 3.35Å; Y519-L554 HydrophobicContact CD2-CD1 3.66Å; Y519-L554 HydrophobicContact CG-CD1 3.8Å
520	R	96.8	Very high	96.4	Very high	64 Å²	64	43.8 Å²	43.8	24%	0.242	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-31.2	174.6	-74.8	171.4	176.8	160.3	-1.1	114.1	V516 E517 K524 L554 E557 I559	V516-R520 VanDerWaalsContact CG1-CZ 3.48Å; V516-R520 WeakPolarHBondContact O-CG 3.1Å; V516-R520 PolarHBondContact O-N 3.44Å; E517-R520 PolarHBondContact O-N 3.32Å; E517-R520 VanDerWaalsContact OE2-CD 3.24Å; E517-R520 WeakPolarHBondContact OE2-CD 3.44Å; E517-R520 IonicContact OE2-CZ 3.46Å; E517-R520 IonicContact OE2-NE 2.71Å; E517-R520 IonicContact OE2-NH1 3.13Å; E517-R520 PolarHBondContact OE2-NH1 2.81Å; R520-K524 VanDerWaalsContact O-CD 3.25Å; R520-K524 WeakPolarHBondContact O-CD 3.37Å; R520-K524 VanDerWaalsContact O-CE 3.22Å; R520-K524 WeakPolarHBondContact O-CE 3.4Å; R520-K524 WeakPolarHBondContact O-CG 3.31Å; R520-L554 HydrophobicContact CG-CD2 4.11Å; R520-E557 IonicContact CZ-OE1 2.65Å; R520-E557 IonicContact CZ-OE2 2.67Å; R520-E557 IonicContact NE-OE1 2.88Å; R520-E557 PolarHBondContact NE-OE1 3.3Å; R520-E557 IonicContact NE-OE2 3.26Å; R520-E557 PolarHBondContact NE-OE2 3.24Å; R520-E557 IonicContact NH2-OE1 3.16Å; R520-E557 PolarHBondContact NH2-OE1 3.15Å; R520-E557 IonicContact NH2-OE2 2.66Å; R520-I559 HydrophobicContact CG-CD1 3.88Å
521	L	96.4	Very high	96.6	Very high	36 Å²	36	41.5 Å²	41.5	19%	0.188	20%	0.198	C	C	.	.	H	α-helix	trans	-72.9	-48.7	173.1	-74.1	178	0	0	0	110.3	L485 E517 S518 Y519 A523 K524	L485-L521 HydrophobicContact CD1-CB 4.21Å; L485-L521 HydrophobicContact CD2-CB 4.15Å; E517-L521 WeakPolarHBondContact O-CB 3.47Å; E517-L521 VanDerWaalsContact O-CG 3.31Å; E517-L521 WeakPolarHBondContact O-CG 3.29Å; E517-L521 PolarHBondContact O-N 3.24Å; S518-L521 PolarHBondContact O-N 3.37Å; Y519-L521 VanDerWaalsContact C-N 3.35Å; Y519-L521 PolarHBondContact O-N 2.95Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 3.43Å; L521-K524 PolarHBondContact O-N 3.47Å
522	L	97.2	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.6	-178.3	64.9	0	0	0	112	L485 A488 M489 V505 V507 S518 Y519 K524 Q525 I526 L530	L485-L522 HydrophobicContact CD1-CB 4.04Å; L485-L522 HydrophobicContact CD1-CD1 4.1Å; A488-L522 HydrophobicContact CB-CD1 4.05Å; M489-L522 HydrophobicContact SD-CD1 4.16Å; V505-L522 HydrophobicContact CB-CD2 4.01Å; V505-L522 HydrophobicContact CG1-CD1 4.24Å; V505-L522 HydrophobicContact CG1-CD2 3.59Å; V507-L522 HydrophobicContact CB-CD2 4.48Å; V507-L522 HydrophobicContact CG1-CD2 3.97Å; V507-L522 HydrophobicContact CG2-CB 4.33Å; V507-L522 HydrophobicContact CG2-CD2 3.7Å; S518-L522 VanDerWaalsContact O-CB 3.32Å; S518-L522 WeakPolarHBondContact O-CB 3.39Å; S518-L522 PolarHBondContact O-N 3.39Å; Y519-L522 PolarHBondContact O-N 3.49Å; L522-K524 PolarHBondContact O-N 3.38Å; L522-K524 VanDerWaalsContact O-N 3.1Å; L522-Q525 PolarHBondContact O-N 2.94Å; L522-I526 HydrophobicContact CD1-CD1 3.84Å; L522-I526 HydrophobicContact CD1-CG1 4.12Å; L522-I526 HydrophobicContact CD1-CG2 4.35Å; L522-I526 HydrophobicContact CD2-CD1 4.34Å; L522-I526 HydrophobicContact CG-CD1 3.92Å; L522-I526 HydrophobicContact CG-CG1 4.16Å; L522-I526 PolarHBondContact O-N 3.33Å; L522-L530 HydrophobicContact CD2-CD2 3.53Å; L522-L530 HydrophobicContact CG-CD2 3.89Å
523	A	95.7	Very high	96.8	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-34.4	170.8	0	0	0	0	0	113.7	Q337 Y519 L521 Q525 L530 I559	Q337-A523 PolarHBondContact NE2-O 2.94Å; Y519-A523 WeakPolarHBondContact O-CB 3.4Å; Y519-A523 PolarHBondContact O-N 3.47Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-A523 PolarHBondContact O-N 3.43Å; A523-Q525 VanDerWaalsContact C-N 3.31Å; A523-Q525 PolarHBondContact O-N 3.1Å; A523-L530 HydrophobicContact CB-CD1 4.11Å; A523-I559 HydrophobicContact CB-CD1 4.37Å; A523-I559 HydrophobicContact CB-CG2 4.25Å
524	K	94.4	Very high	97	Very high	139 Å²	139	29.4 Å²	29.4	60%	0.604	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.9	-178.9	-63.6	162.4	-169.9	163.3	0	113.4	R520 L521 L522	R520-K524 VanDerWaalsContact O-CD 3.25Å; R520-K524 WeakPolarHBondContact O-CD 3.37Å; R520-K524 VanDerWaalsContact O-CE 3.22Å; R520-K524 WeakPolarHBondContact O-CE 3.4Å; R520-K524 WeakPolarHBondContact O-CG 3.31Å; L521-K524 PolarHBondContact O-N 3.47Å; L522-K524 PolarHBondContact O-N 3.38Å; L522-K524 VanDerWaalsContact O-N 3.1Å
525	Q	95.4	Very high	96.9	Very high	118 Å²	118	28.9 Å²	28.9	55%	0.551	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-19.9	-175	-59.6	-60.1	-72.8	0	0	113.8	L485 M489 L522 A523	L485-Q525 HydrophobicContact CD1-CG 4.09Å; L485-Q525 HydrophobicContact CD2-CG 4.38Å; M489-Q525 HydrophobicContact CE-CB 4.3Å; M489-Q525 HydrophobicContact SD-CB 3.87Å; L522-Q525 PolarHBondContact O-N 2.94Å; A523-Q525 VanDerWaalsContact C-N 3.31Å; A523-Q525 PolarHBondContact O-N 3.1Å
526	I	95.5	Very high	96.6	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.062	17%	0.166	C	C	.	.			trans	-133.8	147.5	-177.6	67.9	170.2	0	0	0	112.3	M489 V492 V505 L522 Q528 L530	M489-I526 HydrophobicContact CE-CG2 3.95Å; M489-I526 HydrophobicContact SD-CG2 3.83Å; V492-I526 HydrophobicContact CG2-CG2 4.47Å; V505-I526 HydrophobicContact CB-CD1 3.73Å; V505-I526 HydrophobicContact CG1-CD1 4.45Å; V505-I526 HydrophobicContact CG2-CD1 3.46Å; V505-I526 VanDerWaalsContact CG2-CD1 3.46Å; L522-I526 HydrophobicContact CD1-CD1 3.84Å; L522-I526 HydrophobicContact CD1-CG1 4.12Å; L522-I526 HydrophobicContact CD1-CG2 4.35Å; L522-I526 HydrophobicContact CD2-CD1 4.34Å; L522-I526 HydrophobicContact CG-CD1 3.92Å; L522-I526 HydrophobicContact CG-CG1 4.16Å; L522-I526 PolarHBondContact O-N 3.33Å; I526-Q528 HydrophobicContact CD1-CB 4.4Å; I526-L530 HydrophobicContact CD1-CD2 3.95Å; I526-L530 HydrophobicContact CG1-CD2 4.47Å
527	D	95.2	Very high	96.5	Very high	105 Å²	105	35 Å²	35	56%	0.561	17%	0.167	S	C	*	.			trans	-91.2	-8.6	169.4	-73	-37.1	0	0	0	111.9	S339 T340	S339-D527 CarbonylContact C-O 3.6Å; S339-D527 WeakPolarHBondContact CA-O 3.15Å; S339-D527 WeakPolarHBondContact CB-O 3.26Å; T340-D527 HydrophobicContact CG2-CB 4.13Å; T340-D527 PolarHBondContact N-O 2.86Å
528	Q	97.5	Very high	96.4	Very high	28 Å²	28	33.1 Å²	33.1	13%	0.131	17%	0.165	C	C	.	.	S	Bend	trans	-78.3	145.3	-176.5	-69.3	84	-5.3	0	0	112.8	F503 I526	F503-Q528 HydrophobicContact CD1-CG 4.22Å; F503-Q528 HydrophobicContact CD2-CB 3.83Å; F503-Q528 HydrophobicContact CD2-CG 3.85Å; F503-Q528 HydrophobicContact CE1-CG 3.9Å; F503-Q528 HydrophobicContact CE2-CB 3.58Å; F503-Q528 HydrophobicContact CE2-CG 3.47Å; F503-Q528 VanDerWaalsContact CE2-CG 3.47Å; F503-Q528 HydrophobicContact CG-CG 4.21Å; F503-Q528 HydrophobicContact CZ-CB 4.15Å; F503-Q528 HydrophobicContact CZ-CG 3.51Å; F503-Q528 VanDerWaalsContact CZ-NE2 3.34Å; I526-Q528 HydrophobicContact CD1-CB 4.4Å
529	P	98.1	Very high	96.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-56.1	144.1	-173.4	-31.1	37.9	0	0	0	116.1	T340 I342 I349 K504 V505 D561	T340-P529 WeakPolarHBondContact O-CG 3.36Å; I342-P529 HydrophobicContact CG1-CG 4.38Å; I349-P529 HydrophobicContact CG2-CB 3.86Å; I349-P529 HydrophobicContact CG2-CG 4.46Å; K504-P529 CarbonylContact C-O 3.33Å; K504-P529 WeakPolarHBondContact CA-O 3.45Å; K504-P529 HydrophobicContact CB-CB 4.14Å; K504-P529 WeakPolarHBondContact CB-O 3.48Å; V505-P529 PolarHBondContact N-O 2.95Å; P529-D561 VanDerWaalsContact CA-OD2 3.31Å; P529-D561 WeakPolarHBondContact CA-OD2 3.4Å; P529-D561 HydrophobicContact CB-CB 3.9Å
530	L	98.5	Very high	96.1	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-100.5	119.9	-178.2	-63.2	177.6	0	0	0	111.2	L522 A523 I526 L532 I559 D561 T562	L522-L530 HydrophobicContact CD2-CD2 3.53Å; L522-L530 HydrophobicContact CG-CD2 3.89Å; A523-L530 HydrophobicContact CB-CD1 4.11Å; I526-L530 HydrophobicContact CD1-CD2 3.95Å; I526-L530 HydrophobicContact CG1-CD2 4.47Å; L530-L532 HydrophobicContact CB-CD2 4.25Å; L530-I559 HydrophobicContact CD1-CG2 3.61Å; L530-D561 PolarHBondContact N-OD2 3.1Å; L530-D561 PolarHBondContact O-N 2.82Å; L530-D561 VanDerWaalsContact O-N 3.09Å; L530-T562 PolarHBondContact O-N 2.97Å
531	H	98.6	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	99.1	171.3	172.7	72.7	0	0	0	110.6	Q358 R460 V505 S506 K508 Y519 T562	Q358-H531 PolarHBondContact OE1-CE1 3.15Å; Q358-H531 VanDerWaalsContact OE1-CE1 3.29Å; Q358-H531 PolarHBondContact OE1-ND1 3.47Å; R460-H531 PolarHBondContact NH1-CD2 2.95Å; R460-H531 VanDerWaalsContact NH1-CD2 3.27Å; R460-H531 PolarHBondContact NH1-CE1 3.2Å; R460-H531 PolarHBondContact NH1-NE2 2.86Å; V505-H531 PolarHBondContact O-N 3.45Å; S506-H531 WeakPolarHBondContact CB-O 3.49Å; K508-H531 PolarHBondContact NZ-CD2 2.83Å; K508-H531 VanDerWaalsContact NZ-CD2 3.26Å; K508-H531 PolarHBondContact NZ-NE2 3.48Å; Y519-H531 PolarHBondContact OH-O 2.73Å; H531-T562 CarbonylContact C-O 3.6Å; H531-T562 VanDerWaalsContact CA-O 3.31Å; H531-T562 WeakPolarHBondContact CA-O 3.35Å; H531-T562 HydrophobicContact CB-CG2 3.78Å
532	L	98.5	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	156.6	-176.8	-53.3	-167.8	0	0	0	113.4	K508 Y519 L530 L551 L554 L555 T562 L563 R564	K508-L532 PolarHBondContact NZ-O 3.28Å; Y519-L532 HydrophobicContact CD1-CD2 3.58Å; Y519-L532 HydrophobicContact CD2-CD2 4.43Å; Y519-L532 HydrophobicContact CE1-CD2 3.62Å; Y519-L532 HydrophobicContact CE2-CD2 4.5Å; Y519-L532 HydrophobicContact CG-CD2 4.02Å; Y519-L532 WeakPolarHBondContact OH-CA 3.44Å; L530-L532 HydrophobicContact CB-CD2 4.25Å; L532-L551 HydrophobicContact CB-CD2 3.42Å; L532-L551 VanDerWaalsContact CB-CD2 3.42Å; L532-L551 HydrophobicContact CD1-CD2 3.97Å; L532-L551 HydrophobicContact CG-CD2 4.39Å; L532-L554 HydrophobicContact CD1-CB 4.04Å; L532-L554 HydrophobicContact CD1-CD1 4.29Å; L532-L554 HydrophobicContact CD2-CD1 4.1Å; L532-L555 HydrophobicContact CD1-CD2 3.8Å; L532-L555 HydrophobicContact CD1-CG 3.88Å; L532-T562 PolarHBondContact N-O 3.36Å; L532-L563 HydrophobicContact CB-CB 4.16Å; L532-R564 PolarHBondContact O-N 3.09Å
533	G	98.2	Very high	96.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	25%	0.245	C	C	.	.			trans	166.5	137.8	164.3	0	0	0	0	0	112.8	K508 Y519 R564	K508-G533 WeakPolarHBondContact CD-O 3.45Å; K508-G533 WeakPolarHBondContact CG-O 3.41Å; Y519-G533 PolarHBondContact OH-N 3.35Å; G533-R564 WeakPolarHBondContact CA-O 3.49Å
534	I	97.7	Very high	96.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.25	C	S	.	.			trans	-80.8	128.2	164.1	-53.8	-55.2	0	0	0	107.3	A515 A537 K546 S566	A515-I534 HydrophobicContact CB-CD1 3.5Å; A515-I534 VanDerWaalsContact CB-CD1 3.5Å; I534-A537 HydrophobicContact CG2-CB 4.34Å; I534-K546 HydrophobicContact CG2-CD 3.66Å; I534-K546 HydrophobicContact CG2-CG 4.32Å; I534-S566 WeakPolarHBondContact O-CB 3.41Å; I534-S566 PolarHBondContact O-OG 3.47Å
535	T	94.7	Very high	96.5	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.153	25%	0.246	C	C	.	.	S	Bend	trans	-85.2	156.8	173	-175.1	0	0	0	0	110.4	K508 A509 S510 A537	K508-T535 HydrophobicContact CB-CG2 4.18Å; A509-T535 VanDerWaalsContact C-CG2 3.47Å; A509-T535 PolarHBondContact O-N 3.23Å; S510-T535 VanDerWaalsContact CA-O 3.24Å; S510-T535 WeakPolarHBondContact CA-O 3.17Å; S510-T535 VanDerWaalsContact CB-O 3.27Å; S510-T535 WeakPolarHBondContact CB-O 3.31Å; T535-A537 PolarHBondContact O-N 2.92Å; T535-A537 VanDerWaalsContact O-N 3.11Å
536	E	91.2	Very high	96.6	Very high	126 Å²	126	41.6 Å²	41.6	59%	0.589	23%	0.232	S	C	*	.	S	Bend	trans	44.6	48.3	178.6	-60.4	132.6	-106.2	0	0	112.7	G538 K546	E536-G538 VanDerWaalsContact C-N 3.35Å; E536-G538 PolarHBondContact O-N 2.85Å; E536-K546 PolarHBondContact O-NZ 3.47Å; E536-K546 VanDerWaalsContact O-NZ 3.16Å
537	A	94.1	Very high	96.8	Very high	5 Å²	5	41 Å²	41	4%	0.041	23%	0.229	C	C	.	.			trans	-67	-39.8	-169.6	0	0	0	0	0	111.7	I534 T535 G543 K546 S547 S566	I534-A537 HydrophobicContact CG2-CB 4.34Å; T535-A537 PolarHBondContact O-N 2.92Å; T535-A537 VanDerWaalsContact O-N 3.11Å; A537-G543 VanDerWaalsContact C-CA 3.45Å; A537-K546 HydrophobicContact CB-CD 4.43Å; A537-K546 WeakPolarHBondContact O-CE 3.45Å; A537-K546 PolarHBondContact O-NZ 3.13Å; A537-S547 WeakPolarHBondContact CB-OG 3.38Å; A537-S566 VanDerWaalsContact CB-O 3.3Å; A537-S566 WeakPolarHBondContact CB-O 3.33Å; A537-S566 PolarHBondContact N-O 3.23Å
538	G	94.5	Very high	96.9	Very high	24 Å²	24	38 Å²	38	25%	0.247	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.8	-175.4	178.3	0	0	0	0	0	111.9	E536 A568	E536-G538 VanDerWaalsContact C-N 3.35Å; E536-G538 PolarHBondContact O-N 2.85Å; G538-A568 PolarHBondContact O-N 3.08Å
539	G	96	Very high	96.9	Very high	33 Å²	33	41.1 Å²	41.1	34%	0.34	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	160.4	163.6	0	0	0	0	0	111.2	R541 S542 G543	G539-R541 PolarHBondContact O-N 2.88Å; G539-S542 PolarHBondContact O-N 3.48Å; G539-S542 PolarHBondContact O-OG 3.21Å; G539-G543 PolarHBondContact O-N 3Å
540	A	95	Very high	96.9	Very high	48 Å²	48	41.1 Å²	41.1	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-25.2	-69.5	-168.5	0	0	0	0	0	115.6	A544 A569	A540-A544 WeakPolarHBondContact O-CB 3.49Å; A540-A544 PolarHBondContact O-N 3.21Å; A540-A569 HydrophobicContact CB-CB 4.17Å
541	R	97	Very high	96.9	Very high	221 Å²	221	41 Å²	41	83%	0.834	23%	0.234	S	C	*	.	H	α-helix	trans	-60.1	-50.6	-176.2	-175	-178.6	177.6	-162.4	0.2	114.3	G539 V545	G539-R541 PolarHBondContact O-N 2.88Å; R541-V545 WeakPolarHBondContact O-CG2 3.42Å; R541-V545 PolarHBondContact O-N 3.36Å
542	S	97.1	Very high	96.8	Very high	77 Å²	77	41.6 Å²	41.6	54%	0.538	24%	0.241	S	C	.	.	H	α-helix	trans	-76	-35.3	-175.9	52.8	0	0	0	0	112	G539 K546	G539-S542 PolarHBondContact O-N 3.48Å; G539-S542 PolarHBondContact O-OG 3.21Å; S542-K546 WeakPolarHBondContact O-CB 3.4Å; S542-K546 PolarHBondContact O-N 2.93Å
543	G	97.8	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-39.6	173.5	0	0	0	0	0	112.9	A537 G539 S547 L567	A537-G543 VanDerWaalsContact C-CA 3.45Å; G539-G543 PolarHBondContact O-N 3Å; G543-S547 WeakPolarHBondContact O-CB 3.48Å; G543-S547 PolarHBondContact O-N 2.92Å; G543-S547 PolarHBondContact O-OG 3.28Å; G543-L567 VanDerWaalsContact C-CD2 3.42Å
544	A	98.1	Very high	96.6	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-50.1	174.4	0	0	0	0	0	111.3	A540 K546 S547 A548 V577	A540-A544 WeakPolarHBondContact O-CB 3.49Å; A540-A544 PolarHBondContact O-N 3.21Å; A544-K546 PolarHBondContact O-N 2.89Å; A544-S547 PolarHBondContact O-N 2.98Å; A544-A548 VanDerWaalsContact O-CB 3.27Å; A544-A548 WeakPolarHBondContact O-CB 3.18Å; A544-A548 PolarHBondContact O-N 3.12Å; A544-V577 HydrophobicContact CB-CG1 3.8Å; A544-V577 HydrophobicContact CB-CG2 3.89Å
545	V	98.2	Very high	96.4	Very high	85 Å²	85	44.4 Å²	44.4	52%	0.515	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-46.7	177.6	172.6	0	0	0	0	111.7	R541 S547 A548 I549	R541-V545 WeakPolarHBondContact O-CG2 3.42Å; R541-V545 PolarHBondContact O-N 3.36Å; V545-S547 VanDerWaalsContact C-N 3.34Å; V545-S547 PolarHBondContact O-N 3.35Å; V545-A548 PolarHBondContact O-N 3.08Å; V545-I549 HydrophobicContact CG1-CD1 3.99Å; V545-I549 WeakPolarHBondContact O-CG1 3.47Å; V545-I549 PolarHBondContact O-N 3.34Å; V545-I549 VanDerWaalsContact O-N 3.12Å
546	K	98.1	Very high	96.2	Very high	59 Å²	59	45.8 Å²	45.8	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-44.2	177.9	-166.8	-158.4	-72.3	-176.9	0	111.3	S510 V512 I534 E536 A537 S542 A544 G550	S510-K546 WeakPolarHBondContact O-CD 3.48Å; S510-K546 PolarHBondContact O-NZ 3.35Å; V512-K546 HydrophobicContact CG2-CD 4.16Å; V512-K546 HydrophobicContact CG2-CG 3.49Å; V512-K546 VanDerWaalsContact CG2-CG 3.49Å; I534-K546 HydrophobicContact CG2-CD 3.66Å; I534-K546 HydrophobicContact CG2-CG 4.32Å; E536-K546 PolarHBondContact O-NZ 3.47Å; E536-K546 VanDerWaalsContact O-NZ 3.16Å; A537-K546 HydrophobicContact CB-CD 4.43Å; A537-K546 WeakPolarHBondContact O-CE 3.45Å; A537-K546 PolarHBondContact O-NZ 3.13Å; S542-K546 WeakPolarHBondContact O-CB 3.4Å; S542-K546 PolarHBondContact O-N 2.93Å; A544-K546 PolarHBondContact O-N 2.89Å; K546-G550 PolarHBondContact O-N 3.08Å; K546-G550 VanDerWaalsContact O-N 3.12Å
547	S	98.4	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-42.5	179.3	-57.4	0	0	0	0	112	A537 G543 A544 V545 I549 G550 L551	A537-S547 WeakPolarHBondContact CB-OG 3.38Å; G543-S547 WeakPolarHBondContact O-CB 3.48Å; G543-S547 PolarHBondContact O-N 2.92Å; G543-S547 PolarHBondContact O-OG 3.28Å; A544-S547 PolarHBondContact O-N 2.98Å; V545-S547 VanDerWaalsContact C-N 3.34Å; V545-S547 PolarHBondContact O-N 3.35Å; S547-I549 VanDerWaalsContact C-N 3.32Å; S547-I549 PolarHBondContact O-N 3.25Å; S547-G550 PolarHBondContact O-N 2.93Å; S547-L551 WeakPolarHBondContact O-CB 3.49Å; S547-L551 VanDerWaalsContact O-CG 3.25Å; S547-L551 WeakPolarHBondContact O-CG 3.49Å; S547-L551 PolarHBondContact O-N 3.1Å
548	A	98.3	Very high	95.9	Very high	41 Å²	41	43.3 Å²	43.3	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-37	178.8	0	0	0	0	0	112.5	A544 V545 G552 I581	A544-A548 VanDerWaalsContact O-CB 3.27Å; A544-A548 WeakPolarHBondContact O-CB 3.18Å; A544-A548 PolarHBondContact O-N 3.12Å; V545-A548 PolarHBondContact O-N 3.08Å; A548-G552 VanDerWaalsContact O-CA 3.22Å; A548-G552 WeakPolarHBondContact O-CA 3.43Å; A548-G552 PolarHBondContact O-N 2.84Å; A548-I581 HydrophobicContact CB-CD1 4.03Å; A548-I581 HydrophobicContact CB-CG1 3.88Å
549	I	97.9	Very high	95.9	Very high	93 Å²	93	42.9 Å²	42.9	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-53.1	174.3	-62.9	164.9	0	0	0	110.5	V512 V545 S547 G552 L553	V512-I549 HydrophobicContact CG1-CG2 4.15Å; V545-I549 HydrophobicContact CG1-CD1 3.99Å; V545-I549 WeakPolarHBondContact O-CG1 3.47Å; V545-I549 PolarHBondContact O-N 3.34Å; V545-I549 VanDerWaalsContact O-N 3.12Å; S547-I549 VanDerWaalsContact C-N 3.32Å; S547-I549 PolarHBondContact O-N 3.25Å; I549-G552 PolarHBondContact O-N 2.97Å; I549-L553 HydrophobicContact CG2-CD1 4.33Å; I549-L553 WeakPolarHBondContact O-CG 3.43Å; I549-L553 PolarHBondContact O-N 3.27Å; I549-L553 VanDerWaalsContact O-N 3.08Å
550	G	97.5	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-39.9	-174.3	0	0	0	0	0	114.4	V516 K546 S547	V516-G550 WeakPolarHBondContact CG2-O 3.37Å; K546-G550 PolarHBondContact O-N 3.08Å; K546-G550 VanDerWaalsContact O-N 3.12Å; S547-G550 PolarHBondContact O-N 2.93Å
551	L	98.2	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-39.9	171.2	-63.4	176	0	0	0	110.8	L532 S547 L553 L554 L555 V565 I581	L532-L551 HydrophobicContact CB-CD2 3.42Å; L532-L551 VanDerWaalsContact CB-CD2 3.42Å; L532-L551 HydrophobicContact CD1-CD2 3.97Å; L532-L551 HydrophobicContact CG-CD2 4.39Å; S547-L551 WeakPolarHBondContact O-CB 3.49Å; S547-L551 VanDerWaalsContact O-CG 3.25Å; S547-L551 WeakPolarHBondContact O-CG 3.49Å; S547-L551 PolarHBondContact O-N 3.1Å; L551-L553 PolarHBondContact O-N 3.42Å; L551-L554 PolarHBondContact O-N 2.68Å; L551-L555 HydrophobicContact CB-CD1 4.02Å; L551-L555 VanDerWaalsContact O-CB 3.25Å; L551-L555 WeakPolarHBondContact O-CB 3.24Å; L551-L555 WeakPolarHBondContact O-CD1 3.33Å; L551-L555 WeakPolarHBondContact O-CG 3.45Å; L551-L555 PolarHBondContact O-N 3.4Å; L551-V565 HydrophobicContact CD1-CG2 4.28Å; L551-I581 HydrophobicContact CB-CG2 4.37Å; L551-I581 HydrophobicContact CD1-CD1 3.95Å
552	G	96.7	Very high	96	Very high	14 Å²	14	29.9 Å²	29.9	14%	0.144	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-40.4	-177.6	0	0	0	0	0	113.9	A548 I549 S556	A548-G552 VanDerWaalsContact O-CA 3.22Å; A548-G552 WeakPolarHBondContact O-CA 3.43Å; A548-G552 PolarHBondContact O-N 2.84Å; I549-G552 PolarHBondContact O-N 2.97Å; G552-S556 VanDerWaalsContact O-CB 3.25Å; G552-S556 WeakPolarHBondContact O-CB 3.17Å; G552-S556 PolarHBondContact O-N 2.88Å; G552-S556 PolarHBondContact O-OG 2.89Å
553	L	95.2	Very high	96.1	Very high	57 Å²	57	26.2 Å²	26.2	30%	0.298	16%	0.157	S	C	.	.	H	α-helix	trans	-57.8	-57.9	174.3	-72.3	164.5	0	0	0	111.1	V512 V516 I549 L551 L555 S556 E557	V512-L553 HydrophobicContact CG1-CD1 4.46Å; V516-L553 HydrophobicContact CG1-CB 4.33Å; V516-L553 HydrophobicContact CG2-CB 4.15Å; V516-L553 HydrophobicContact CG2-CD1 3.99Å; I549-L553 HydrophobicContact CG2-CD1 4.33Å; I549-L553 WeakPolarHBondContact O-CG 3.43Å; I549-L553 PolarHBondContact O-N 3.27Å; I549-L553 VanDerWaalsContact O-N 3.08Å; L551-L553 PolarHBondContact O-N 3.42Å; L553-L555 PolarHBondContact O-N 2.88Å; L553-S556 PolarHBondContact O-N 3.43Å; L553-S556 PolarHBondContact O-OG 3.11Å; L553-E557 WeakPolarHBondContact O-CG 3.32Å; L553-E557 PolarHBondContact O-N 3.31Å
554	L	96.4	Very high	96.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-46.6	-178.8	-66.8	169.7	0	0	0	112.6	V516 Y519 R520 L532 L551 S556 E557 G558 I559	V516-L554 HydrophobicContact CG1-CD2 4.06Å; V516-L554 HydrophobicContact CG1-CG 4.37Å; V516-L554 HydrophobicContact CG2-CD1 4.47Å; V516-L554 HydrophobicContact CG2-CG 4.23Å; Y519-L554 HydrophobicContact CD2-CD1 3.66Å; Y519-L554 HydrophobicContact CG-CD1 3.8Å; R520-L554 HydrophobicContact CG-CD2 4.11Å; L532-L554 HydrophobicContact CD1-CB 4.04Å; L532-L554 HydrophobicContact CD1-CD1 4.29Å; L532-L554 HydrophobicContact CD2-CD1 4.1Å; L551-L554 PolarHBondContact O-N 2.68Å; L554-S556 VanDerWaalsContact C-N 3.3Å; L554-S556 PolarHBondContact O-N 2.79Å; L554-E557 CarbonylContact O-C 3.51Å; L554-E557 WeakPolarHBondContact O-CA 3.33Å; L554-E557 WeakPolarHBondContact O-CB 3.39Å; L554-E557 PolarHBondContact O-N 3.23Å; L554-E557 VanDerWaalsContact O-N 3.08Å; L554-G558 PolarHBondContact O-N 2.86Å; L554-I559 CarbonylContact C-O 3.5Å; L554-I559 HydrophobicContact CB-CB 4.29Å; L554-I559 HydrophobicContact CD2-CB 4.38Å; L554-I559 HydrophobicContact CD2-CD1 4.16Å; L554-I559 HydrophobicContact CD2-CG2 4.26Å; L554-I559 WeakPolarHBondContact O-CB 3.33Å; L554-I559 PolarHBondContact O-N 3.32Å
555	L	94.9	Very high	96.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-30.3	-178.9	-69.1	170.6	0	0	0	112.4	I355 L532 L551 L553 E557 G558 L563 I581 L582 L585 I587	I355-L555 HydrophobicContact CD1-CD2 3.46Å; I355-L555 VanDerWaalsContact CD1-CD2 3.46Å; L532-L555 HydrophobicContact CD1-CD2 3.8Å; L532-L555 HydrophobicContact CD1-CG 3.88Å; L551-L555 HydrophobicContact CB-CD1 4.02Å; L551-L555 VanDerWaalsContact O-CB 3.25Å; L551-L555 WeakPolarHBondContact O-CB 3.24Å; L551-L555 WeakPolarHBondContact O-CD1 3.33Å; L551-L555 WeakPolarHBondContact O-CG 3.45Å; L551-L555 PolarHBondContact O-N 3.4Å; L553-L555 PolarHBondContact O-N 2.88Å; L555-E557 VanDerWaalsContact C-N 3.33Å; L555-G558 PolarHBondContact O-N 2.81Å; L555-L563 HydrophobicContact CD1-CD2 3.97Å; L555-I581 HydrophobicContact CD1-CG2 3.8Å; L555-L582 HydrophobicContact CD1-CD2 4.1Å; L555-L582 HydrophobicContact CD2-CD2 4.43Å; L555-L585 HydrophobicContact CB-CD1 3.52Å; L555-L585 HydrophobicContact CD1-CD1 3.86Å; L555-L585 HydrophobicContact CG-CD1 4.35Å; L555-I587 HydrophobicContact CB-CD1 3.77Å; L555-I587 HydrophobicContact CD2-CD1 4.35Å; L555-I587 HydrophobicContact CG-CD1 4.5Å
556	S	89.2	Confident	96.1	Very high	55 Å²	55	23.2 Å²	23.2	39%	0.385	13%	0.134	S	C	.	.	H	α-helix	trans	-72.2	-26.9	172.2	74	0	0	0	0	113.3	S334 G552 L553 L554 G558	S334-S556 PolarHBondContact OG-O 2.95Å; G552-S556 VanDerWaalsContact O-CB 3.25Å; G552-S556 WeakPolarHBondContact O-CB 3.17Å; G552-S556 PolarHBondContact O-N 2.88Å; G552-S556 PolarHBondContact O-OG 2.89Å; L553-S556 PolarHBondContact O-N 3.43Å; L553-S556 PolarHBondContact O-OG 3.11Å; L554-S556 VanDerWaalsContact C-N 3.3Å; L554-S556 PolarHBondContact O-N 2.79Å; S556-G558 PolarHBondContact O-N 2.85Å
557	E	89.7	Confident	96.1	Very high	68 Å²	68	21.3 Å²	21.3	32%	0.318	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.8	173.2	-69	167.4	-163	0	0	112.4	S334 R520 L553 L554 L555 I559	S334-E557 WeakPolarHBondContact CB-O 3.23Å; R520-E557 IonicContact CZ-OE1 2.65Å; R520-E557 IonicContact CZ-OE2 2.67Å; R520-E557 IonicContact NE-OE1 2.88Å; R520-E557 PolarHBondContact NE-OE1 3.3Å; R520-E557 IonicContact NE-OE2 3.26Å; R520-E557 PolarHBondContact NE-OE2 3.24Å; R520-E557 IonicContact NH2-OE1 3.16Å; R520-E557 PolarHBondContact NH2-OE1 3.15Å; R520-E557 IonicContact NH2-OE2 2.66Å; L553-E557 WeakPolarHBondContact O-CG 3.32Å; L553-E557 PolarHBondContact O-N 3.31Å; L554-E557 CarbonylContact O-C 3.51Å; L554-E557 WeakPolarHBondContact O-CA 3.33Å; L554-E557 WeakPolarHBondContact O-CB 3.39Å; L554-E557 PolarHBondContact O-N 3.23Å; L554-E557 VanDerWaalsContact O-N 3.08Å; L555-E557 VanDerWaalsContact C-N 3.33Å; E557-I559 VanDerWaalsContact C-N 3.29Å; E557-I559 HydrophobicContact CB-CD1 4.11Å; E557-I559 HydrophobicContact CB-CG1 4.16Å
558	G	89.1	Confident	96	Very high	10 Å²	10	25.2 Å²	25.2	10%	0.103	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.7	-178.7	0	0	0	0	0	114	Q337 L554 L555 S556	Q337-G558 PolarHBondContact N-O 2.68Å; L554-G558 PolarHBondContact O-N 2.86Å; L555-G558 PolarHBondContact O-N 2.81Å; S556-G558 PolarHBondContact O-N 2.85Å
559	I	95	Very high	95.9	Very high	15 Å²	15	25 Å²	25	8%	0.077	16%	0.157	C	C	.	.			trans	-93.4	122.5	-177.6	-56.1	174.5	0	0	0	109.4	R520 A523 L530 L554 E557	R520-I559 HydrophobicContact CG-CD1 3.88Å; A523-I559 HydrophobicContact CB-CD1 4.37Å; A523-I559 HydrophobicContact CB-CG2 4.25Å; L530-I559 HydrophobicContact CD1-CG2 3.61Å; L554-I559 CarbonylContact C-O 3.5Å; L554-I559 HydrophobicContact CB-CB 4.29Å; L554-I559 HydrophobicContact CD2-CB 4.38Å; L554-I559 HydrophobicContact CD2-CD1 4.16Å; L554-I559 HydrophobicContact CD2-CG2 4.26Å; L554-I559 WeakPolarHBondContact O-CB 3.33Å; L554-I559 PolarHBondContact O-N 3.32Å; E557-I559 VanDerWaalsContact C-N 3.29Å; E557-I559 HydrophobicContact CB-CD1 4.11Å; E557-I559 HydrophobicContact CB-CG1 4.16Å
560	G	96.1	Very high	95.8	Very high	8 Å²	8	24.7 Å²	24.7	8%	0.082	16%	0.156	C	C	.	.			trans	116.9	131.6	170	0	0	0	0	0	114.8	I355	I355-G560 WeakPolarHBondContact CD1-O 3.47Å
561	D	96.9	Very high	95.8	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	16%	0.158	C	C	.	.	S	Bend	trans	-112.9	-15.7	-170.1	-45.2	-98.8	0	0	0	112.3	S339 I349 G350 I355 A356 P529 L530	S339-D561 WeakPolarHBondContact CB-OD1 3.37Å; S339-D561 PolarHBondContact OG-OD1 2.98Å; I349-D561 HydrophobicContact CG2-CB 3.7Å; G350-D561 WeakPolarHBondContact CA-OD1 3.48Å; I355-D561 WeakPolarHBondContact CA-O 3.5Å; A356-D561 PolarHBondContact N-O 3.4Å; P529-D561 VanDerWaalsContact CA-OD2 3.31Å; P529-D561 WeakPolarHBondContact CA-OD2 3.4Å; P529-D561 HydrophobicContact CB-CB 3.9Å; L530-D561 PolarHBondContact N-OD2 3.1Å; L530-D561 PolarHBondContact O-N 2.82Å; L530-D561 VanDerWaalsContact O-N 3.09Å
562	T	98.2	Very high	95.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	150.1	174	177.5	0	0	0	0	109.7	I349 A356 Q358 K504 L530 H531 L532	I349-T562 HydrophobicContact CD1-CG2 4.2Å; I349-T562 HydrophobicContact CG2-CG2 3.79Å; A356-T562 CarbonylContact O-C 3.55Å; A356-T562 WeakPolarHBondContact O-CA 3.02Å; A356-T562 WeakPolarHBondContact O-CB 3.46Å; A356-T562 PolarHBondContact O-OG1 2.87Å; Q358-T562 WeakPolarHBondContact CG-OG1 3.25Å; Q358-T562 PolarHBondContact NE2-OG1 3.08Å; K504-T562 HydrophobicContact CD-CG2 4.41Å; L530-T562 PolarHBondContact O-N 2.97Å; H531-T562 CarbonylContact C-O 3.6Å; H531-T562 VanDerWaalsContact CA-O 3.31Å; H531-T562 WeakPolarHBondContact CA-O 3.35Å; H531-T562 HydrophobicContact CB-CG2 3.78Å; L532-T562 PolarHBondContact N-O 3.36Å
563	L	98.3	Very high	95.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.3	-176.4	64.8	81.4	0	0	0	113.2	I355 A356 V357 Q358 L532 L555 V565 L582	I355-L563 HydrophobicContact CG2-CD2 4.26Å; I355-L563 HydrophobicContact CG2-CG 4.44Å; A356-L563 PolarHBondContact O-N 3.46Å; V357-L563 HydrophobicContact CG1-CD1 4.11Å; V357-L563 HydrophobicContact CG2-CD1 4.34Å; Q358-L563 PolarHBondContact N-O 3.43Å; L532-L563 HydrophobicContact CB-CB 4.16Å; L555-L563 HydrophobicContact CD1-CD2 3.97Å; L563-V565 HydrophobicContact CD1-CG2 4.41Å; L563-L582 HydrophobicContact CD2-CD1 4.1Å; L563-L582 HydrophobicContact CD2-CD2 3.93Å; L563-L582 HydrophobicContact CD2-CG 3.94Å
564	R	98.6	Very high	95.8	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.109	16%	0.158	C	C	.	.			trans	-136.7	122.5	159.2	172.1	170.2	-179.1	-105.3	8.6	110.3	Q358 L532 G533 S566 E574	Q358-R564 HydrophobicContact CB-CB 4.47Å; Q358-R564 WeakPolarHBondContact O-CA 3.44Å; Q358-R564 WeakPolarHBondContact O-CB 3.35Å; Q358-R564 WeakPolarHBondContact O-CG 3.27Å; L532-R564 PolarHBondContact O-N 3.09Å; G533-R564 WeakPolarHBondContact CA-O 3.49Å; R564-S566 PolarHBondContact NH1-OG 2.7Å; R564-E574 IonicContact CZ-OE1 3.64Å; R564-E574 IonicContact CZ-OE2 3.19Å; R564-E574 IonicContact NE-OE1 3.55Å; R564-E574 IonicContact NE-OE2 2.8Å; R564-E574 PolarHBondContact NE-OE2 3.09Å; R564-E574 IonicContact NH2-OE1 2.64Å; R564-E574 PolarHBondContact NH2-OE1 3.44Å; R564-E574 IonicContact NH2-OE2 3.39Å; R564-E574 PolarHBondContact NH2-OE2 2.77Å
565	V	98.5	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.			trans	-70.6	136.5	161.1	-171	0	0	0	0	107.8	L551 L563 L567 E574 V577 I581	L551-V565 HydrophobicContact CD1-CG2 4.28Å; L563-V565 HydrophobicContact CD1-CG2 4.41Å; V565-L567 HydrophobicContact CG1-CD1 4.18Å; V565-L567 HydrophobicContact CG1-CD2 3.74Å; V565-L567 HydrophobicContact CG1-CG 3.76Å; V565-E574 HydrophobicContact CB-CB 4.31Å; V565-E574 WeakPolarHBondContact O-CB 3.38Å; V565-E574 WeakPolarHBondContact O-CG 3.45Å; V565-V577 HydrophobicContact CG1-CB 4.32Å; V565-V577 HydrophobicContact CG1-CG1 3.96Å; V565-V577 HydrophobicContact CG2-CB 4.28Å; V565-V577 HydrophobicContact CG2-CG1 4.03Å; V565-I581 HydrophobicContact CG2-CD1 4.19Å
566	S	97.2	Very high	95.6	Very high	14 Å²	14	27.9 Å²	27.9	10%	0.098	17%	0.167	C	C	.	.			trans	-120	97.8	-177.9	-55.9	0	0	0	0	111.1	I534 A537 R564 E574	I534-S566 WeakPolarHBondContact O-CB 3.41Å; I534-S566 PolarHBondContact O-OG 3.47Å; A537-S566 VanDerWaalsContact CB-O 3.3Å; A537-S566 WeakPolarHBondContact CB-O 3.33Å; A537-S566 PolarHBondContact N-O 3.23Å; R564-S566 PolarHBondContact NH1-OG 2.7Å; S566-E574 WeakPolarHBondContact CA-OE1 3.32Å
567	L	97.8	Very high	95.9	Very high	19 Å²	19	26.4 Å²	26.4	10%	0.099	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.5	-171.2	-57.8	178.5	0	0	0	112.3	G543 V565 A569 E573 E574 V577	G543-L567 VanDerWaalsContact C-CD2 3.42Å; V565-L567 HydrophobicContact CG1-CD1 4.18Å; V565-L567 HydrophobicContact CG1-CD2 3.74Å; V565-L567 HydrophobicContact CG1-CG 3.76Å; L567-A569 HydrophobicContact CB-CB 3.87Å; L567-A569 HydrophobicContact CD1-CB 4.43Å; L567-A569 PolarHBondContact O-N 3.36Å; L567-A569 VanDerWaalsContact O-N 3.14Å; L567-E573 HydrophobicContact CD1-CB 4.09Å; L567-E574 HydrophobicContact CB-CG 4.11Å; L567-E574 HydrophobicContact CD1-CG 4.26Å; L567-E574 HydrophobicContact CG-CG 4.09Å; L567-E574 PolarHBondContact N-OE1 2.81Å; L567-V577 HydrophobicContact CD1-CG2 4.43Å
568	A	96.6	Very high	96.3	Very high	82 Å²	82	23.2 Å²	23.2	68%	0.678	14%	0.14	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	72.1	159	0	0	0	0	0	109	G538	G538-A568 PolarHBondContact O-N 3.08Å
569	A	95.3	Very high	96.4	Very high	35 Å²	35	23.2 Å²	23.2	29%	0.289	14%	0.138	S	C	.	.	S	Bend	trans	-153.6	-169.9	-176.5	0	0	0	0	0	110.2	A540 L567 E573	A540-A569 HydrophobicContact CB-CB 4.17Å; L567-A569 HydrophobicContact CB-CB 3.87Å; L567-A569 HydrophobicContact CD1-CB 4.43Å; L567-A569 PolarHBondContact O-N 3.36Å; L567-A569 VanDerWaalsContact O-N 3.14Å; A569-E573 HydrophobicContact CB-CB 4.46Å
570	D	96.6	Very high	96.4	Very high	88 Å²	88	25.8 Å²	25.8	47%	0.471	15%	0.152	S	C	.	.			trans	-65.1	133.6	164.3	-166.6	-56.4	0	0	0	109.8	V572 E573	D570-V572 PolarHBondContact O-N 3.06Å; D570-V572 VanDerWaalsContact O-N 3.09Å; D570-V572 VanDerWaalsContact OD1-CB 3.31Å; D570-V572 WeakPolarHBondContact OD1-CB 3.46Å; D570-V572 WeakPolarHBondContact OD1-CG2 3.5Å; D570-V572 PolarHBondContact OD1-N 2.86Å; D570-E573 HydrophobicContact CB-CG 4.46Å; D570-E573 WeakPolarHBondContact O-CB 3.28Å; D570-E573 PolarHBondContact O-N 3.2Å
571	P	97.7	Very high	96.3	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-51.8	-25.8	174	-31	39.2	0	0	0	115.3	S359 M360 N362 L378 E573 E574	S359-P571 WeakPolarHBondContact OG-CB 3.26Å; S359-P571 PolarHBondContact OG-O 2.87Å; S359-P571 VanDerWaalsContact OG-O 3.12Å; M360-P571 WeakPolarHBondContact O-CG 3.36Å; N362-P571 HydrophobicContact CB-CG 4.38Å; N362-P571 WeakPolarHBondContact ND2-CD 3.19Å; L378-P571 HydrophobicContact CD1-CB 4.36Å; L378-P571 HydrophobicContact CD2-CB 3.97Å; L378-P571 WeakPolarHBondContact CD2-O 3.22Å; P571-E573 VanDerWaalsContact C-N 3.27Å; P571-E573 PolarHBondContact O-N 3.42Å; P571-E574 WeakPolarHBondContact O-CB 3.17Å; P571-E574 PolarHBondContact O-N 3.31Å; P571-E574 VanDerWaalsContact O-N 3.16Å
572	V	95.8	Very high	96	Very high	20 Å²	20	25 Å²	25	12%	0.121	15%	0.145	C	C	.	.	H	α-helix	trans	-56.3	-40	172.1	163.8	0	0	0	0	112.1	A377 L378 V381 D570 E574 I575 K576	A377-V572 HydrophobicContact CB-CG2 4.01Å; L378-V572 HydrophobicContact CD2-CG2 4.43Å; V381-V572 HydrophobicContact CG1-CG1 3.9Å; V381-V572 HydrophobicContact CG2-CG1 4.07Å; V381-V572 HydrophobicContact CG2-CG2 4.42Å; D570-V572 PolarHBondContact O-N 3.06Å; D570-V572 VanDerWaalsContact O-N 3.09Å; D570-V572 VanDerWaalsContact OD1-CB 3.31Å; D570-V572 WeakPolarHBondContact OD1-CB 3.46Å; D570-V572 WeakPolarHBondContact OD1-CG2 3.5Å; D570-V572 PolarHBondContact OD1-N 2.86Å; V572-E574 VanDerWaalsContact C-N 3.26Å; V572-E574 PolarHBondContact O-N 3.23Å; V572-I575 WeakPolarHBondContact O-CB 3.43Å; V572-I575 PolarHBondContact O-N 2.86Å; V572-I575 VanDerWaalsContact O-N 3.11Å; V572-K576 PolarHBondContact O-N 2.89Å
573	E	95.7	Very high	95.6	Very high	66 Å²	66	26.3 Å²	26.3	31%	0.308	15%	0.151	S	C	.	.	H	α-helix	trans	-70.5	-23.3	-179.4	-59.6	-61.1	119.3	0	0	112	L567 A569 D570 P571 I575 K576 V577	L567-E573 HydrophobicContact CD1-CB 4.09Å; A569-E573 HydrophobicContact CB-CB 4.46Å; D570-E573 HydrophobicContact CB-CG 4.46Å; D570-E573 WeakPolarHBondContact O-CB 3.28Å; D570-E573 PolarHBondContact O-N 3.2Å; P571-E573 VanDerWaalsContact C-N 3.27Å; P571-E573 PolarHBondContact O-N 3.42Å; E573-I575 VanDerWaalsContact C-N 3.28Å; E573-I575 PolarHBondContact O-N 3.32Å; E573-K576 WeakPolarHBondContact OE1-CD 3.38Å; E573-K576 WeakPolarHBondContact OE1-CE 3.44Å; E573-K576 IonicContact OE1-NZ 3.18Å; E573-K576 PolarHBondContact OE1-NZ 2.77Å; E573-V577 WeakPolarHBondContact O-CB 3.49Å; E573-V577 VanDerWaalsContact O-CG2 3.29Å; E573-V577 WeakPolarHBondContact O-CG2 3.39Å; E573-V577 PolarHBondContact O-N 2.93Å; E573-V577 VanDerWaalsContact O-N 3.13Å
574	E	97.6	Very high	95.1	Very high	5 Å²	5	31 Å²	31	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-32.6	171.9	-57.2	-170.1	149.8	0	0	112	S359 R564 V565 S566 L567 P571 V572 G578	S359-E574 PolarHBondContact OG-OE2 3.2Å; R564-E574 IonicContact CZ-OE1 3.64Å; R564-E574 IonicContact CZ-OE2 3.19Å; R564-E574 IonicContact NE-OE1 3.55Å; R564-E574 IonicContact NE-OE2 2.8Å; R564-E574 PolarHBondContact NE-OE2 3.09Å; R564-E574 IonicContact NH2-OE1 2.64Å; R564-E574 PolarHBondContact NH2-OE1 3.44Å; R564-E574 IonicContact NH2-OE2 3.39Å; R564-E574 PolarHBondContact NH2-OE2 2.77Å; V565-E574 HydrophobicContact CB-CB 4.31Å; V565-E574 WeakPolarHBondContact O-CB 3.38Å; V565-E574 WeakPolarHBondContact O-CG 3.45Å; S566-E574 WeakPolarHBondContact CA-OE1 3.32Å; L567-E574 HydrophobicContact CB-CG 4.11Å; L567-E574 HydrophobicContact CD1-CG 4.26Å; L567-E574 HydrophobicContact CG-CG 4.09Å; L567-E574 PolarHBondContact N-OE1 2.81Å; P571-E574 WeakPolarHBondContact O-CB 3.17Å; P571-E574 PolarHBondContact O-N 3.31Å; P571-E574 VanDerWaalsContact O-N 3.16Å; V572-E574 VanDerWaalsContact C-N 3.26Å; V572-E574 PolarHBondContact O-N 3.23Å; E574-G578 PolarHBondContact O-N 2.92Å; E574-G578 VanDerWaalsContact O-N 3.11Å
575	I	95	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.2	-47.2	177.8	-60.4	-61	0	0	0	110.9	V357 S359 L378 V381 A383 V572 E573 G578 F579	V357-I575 HydrophobicContact CG1-CD1 3.88Å; V357-I575 HydrophobicContact CG1-CG2 4.39Å; S359-I575 VanDerWaalsContact CB-CD1 3.45Å; L378-I575 HydrophobicContact CD2-CG1 3.71Å; V381-I575 HydrophobicContact CB-CG2 4.4Å; V381-I575 HydrophobicContact CG2-CB 3.87Å; V381-I575 HydrophobicContact CG2-CG1 4.25Å; V381-I575 HydrophobicContact CG2-CG2 3.84Å; V381-I575 WeakPolarHBondContact O-CG2 3.24Å; A383-I575 HydrophobicContact CB-CD1 3.49Å; A383-I575 VanDerWaalsContact CB-CD1 3.49Å; A383-I575 HydrophobicContact CB-CG1 3.93Å; V572-I575 WeakPolarHBondContact O-CB 3.43Å; V572-I575 PolarHBondContact O-N 2.86Å; V572-I575 VanDerWaalsContact O-N 3.11Å; E573-I575 VanDerWaalsContact C-N 3.28Å; E573-I575 PolarHBondContact O-N 3.32Å; I575-G578 WeakPolarHBondContact O-CA 3.37Å; I575-G578 PolarHBondContact O-N 3.43Å; I575-G578 VanDerWaalsContact O-N 3.13Å; I575-F579 HydrophobicContact CG2-CD2 3.7Å; I575-F579 HydrophobicContact CG2-CE2 3.63Å; I575-F579 WeakPolarHBondContact O-CD2 3.41Å; I575-F579 PolarHBondContact O-N 2.92Å
576	K	93.3	Very high	93.9	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-55.2	-56.9	177.8	-65.9	-179	-174.1	170.2	0	111	V572 E573 G578 F579 D580 E619	V572-K576 PolarHBondContact O-N 2.89Å; E573-K576 WeakPolarHBondContact OE1-CD 3.38Å; E573-K576 WeakPolarHBondContact OE1-CE 3.44Å; E573-K576 IonicContact OE1-NZ 3.18Å; E573-K576 PolarHBondContact OE1-NZ 2.77Å; K576-G578 PolarHBondContact O-N 2.84Å; K576-F579 PolarHBondContact O-N 3.07Å; K576-F579 VanDerWaalsContact O-N 3.1Å; K576-D580 PolarHBondContact O-N 3.36Å; K576-E619 WeakPolarHBondContact CE-OE1 3.32Å; K576-E619 WeakPolarHBondContact CE-OE2 3.36Å; K576-E619 IonicContact NZ-OE1 3.55Å; K576-E619 PolarHBondContact NZ-OE1 3.32Å; K576-E619 IonicContact NZ-OE2 3.55Å; K576-E619 PolarHBondContact NZ-OE2 3Å
577	V	95.9	Very high	93.4	Very high	25 Å²	25	43 Å²	43	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-34.8	177.4	177.8	0	0	0	0	111.6	A544 V565 L567 E573 D580 I581	A544-V577 HydrophobicContact CB-CG1 3.8Å; A544-V577 HydrophobicContact CB-CG2 3.89Å; V565-V577 HydrophobicContact CG1-CB 4.32Å; V565-V577 HydrophobicContact CG1-CG1 3.96Å; V565-V577 HydrophobicContact CG2-CB 4.28Å; V565-V577 HydrophobicContact CG2-CG1 4.03Å; L567-V577 HydrophobicContact CD1-CG2 4.43Å; E573-V577 WeakPolarHBondContact O-CB 3.49Å; E573-V577 VanDerWaalsContact O-CG2 3.29Å; E573-V577 WeakPolarHBondContact O-CG2 3.39Å; E573-V577 PolarHBondContact O-N 2.93Å; E573-V577 VanDerWaalsContact O-N 3.13Å; V577-D580 PolarHBondContact O-N 3.41Å; V577-I581 HydrophobicContact CG1-CD1 3.99Å; V577-I581 HydrophobicContact CG1-CG1 4.48Å; V577-I581 WeakPolarHBondContact O-CD1 3.4Å; V577-I581 VanDerWaalsContact O-CG1 3.24Å; V577-I581 WeakPolarHBondContact O-CG1 3.36Å; V577-I581 PolarHBondContact O-N 3.06Å
578	G	96.4	Very high	92.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-44.5	175.1	0	0	0	0	0	113.3	E574 I575 K576 L582	E574-G578 PolarHBondContact O-N 2.92Å; E574-G578 VanDerWaalsContact O-N 3.11Å; I575-G578 WeakPolarHBondContact O-CA 3.37Å; I575-G578 PolarHBondContact O-N 3.43Å; I575-G578 VanDerWaalsContact O-N 3.13Å; K576-G578 PolarHBondContact O-N 2.84Å; G578-L582 PolarHBondContact O-N 3.31Å
579	F	92.9	Very high	91.9	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-37.9	174	-79.6	-65.2	0	0	0	112.7	V357 G382 I575 K576 I581 L582 K583 R590	V357-F579 HydrophobicContact CB-CD2 4.48Å; V357-F579 HydrophobicContact CB-CE1 4.32Å; V357-F579 HydrophobicContact CB-CE2 4.01Å; V357-F579 HydrophobicContact CB-CZ 3.9Å; V357-F579 HydrophobicContact CG1-CD2 4.4Å; V357-F579 HydrophobicContact CG1-CE2 4.26Å; V357-F579 HydrophobicContact CG2-CD1 3.88Å; V357-F579 HydrophobicContact CG2-CD2 4.31Å; V357-F579 HydrophobicContact CG2-CE1 3.66Å; V357-F579 HydrophobicContact CG2-CE2 4.11Å; V357-F579 HydrophobicContact CG2-CG 4.19Å; V357-F579 HydrophobicContact CG2-CZ 3.77Å; G382-F579 VanDerWaalsContact O-CE2 3.26Å; G382-F579 WeakPolarHBondContact O-CE2 3.4Å; G382-F579 WeakPolarHBondContact O-CZ 3.46Å; I575-F579 HydrophobicContact CG2-CD2 3.7Å; I575-F579 HydrophobicContact CG2-CE2 3.63Å; I575-F579 WeakPolarHBondContact O-CD2 3.41Å; I575-F579 PolarHBondContact O-N 2.92Å; K576-F579 PolarHBondContact O-N 3.07Å; K576-F579 VanDerWaalsContact O-N 3.1Å; F579-I581 VanDerWaalsContact C-N 3.31Å; F579-I581 PolarHBondContact O-N 2.89Å; F579-L582 PolarHBondContact O-N 3.34Å; F579-L582 VanDerWaalsContact O-N 3.16Å; F579-K583 WeakPolarHBondContact O-CB 3.49Å; F579-K583 PolarHBondContact O-N 2.72Å; F579-R590 HydrophobicContact CD1-CB 3.62Å; F579-R590 HydrophobicContact CE1-CB 3.89Å; F579-R590 HydrophobicContact CE1-CG 4.47Å; F579-R590 HydrophobicContact CG-CB 4.02Å; F579-R590 HydrophobicContact CZ-CB 4.49Å
580	D	93.2	Very high	91.3	Very high	69 Å²	69	44.9 Å²	44.9	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-31	179.8	-70	-37.8	0	0	0	113	K576 V577 K583 S584	K576-D580 PolarHBondContact O-N 3.36Å; V577-D580 PolarHBondContact O-N 3.41Å; D580-K583 VanDerWaalsContact OD1-CE 3.31Å; D580-K583 WeakPolarHBondContact OD1-CE 3.48Å; D580-K583 IonicContact OD1-NZ 2.69Å; D580-K583 PolarHBondContact OD1-NZ 3.15Å; D580-S584 VanDerWaalsContact O-CB 3.24Å; D580-S584 WeakPolarHBondContact O-CB 3.22Å; D580-S584 PolarHBondContact O-N 2.69Å; D580-S584 PolarHBondContact O-OG 3.17Å
581	I	95.3	Very high	90.8	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-49.1	169.2	-69.8	164.7	0	0	0	110.6	A548 L551 L555 V565 V577 F579 K583 S584 L585	A548-I581 HydrophobicContact CB-CD1 4.03Å; A548-I581 HydrophobicContact CB-CG1 3.88Å; L551-I581 HydrophobicContact CB-CG2 4.37Å; L551-I581 HydrophobicContact CD1-CD1 3.95Å; L555-I581 HydrophobicContact CD1-CG2 3.8Å; V565-I581 HydrophobicContact CG2-CD1 4.19Å; V577-I581 HydrophobicContact CG1-CD1 3.99Å; V577-I581 HydrophobicContact CG1-CG1 4.48Å; V577-I581 WeakPolarHBondContact O-CD1 3.4Å; V577-I581 VanDerWaalsContact O-CG1 3.24Å; V577-I581 WeakPolarHBondContact O-CG1 3.36Å; V577-I581 PolarHBondContact O-N 3.06Å; F579-I581 VanDerWaalsContact C-N 3.31Å; F579-I581 PolarHBondContact O-N 2.89Å; I581-K583 PolarHBondContact O-N 3.03Å; I581-S584 PolarHBondContact O-N 3.49Å; I581-L585 HydrophobicContact CG2-CD1 3.98Å; I581-L585 VanDerWaalsContact O-CG 3.31Å; I581-L585 WeakPolarHBondContact O-CG 3.27Å; I581-L585 PolarHBondContact O-N 2.86Å; I581-L585 VanDerWaalsContact O-N 3.08Å
582	L	91.3	Very high	90.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-33.8	-179.8	-65.9	173.2	0	0	0	113	I355 V357 L555 L563 G578 F579 R586 I587 R588	I355-L582 HydrophobicContact CB-CD1 4.21Å; I355-L582 HydrophobicContact CB-CD2 4.06Å; I355-L582 HydrophobicContact CD1-CD2 4.06Å; I355-L582 HydrophobicContact CG2-CD1 4.2Å; I355-L582 HydrophobicContact CG2-CD2 4.05Å; V357-L582 HydrophobicContact CG2-CD1 3.56Å; L555-L582 HydrophobicContact CD1-CD2 4.1Å; L555-L582 HydrophobicContact CD2-CD2 4.43Å; L563-L582 HydrophobicContact CD2-CD1 4.1Å; L563-L582 HydrophobicContact CD2-CD2 3.93Å; L563-L582 HydrophobicContact CD2-CG 3.94Å; G578-L582 PolarHBondContact O-N 3.31Å; F579-L582 PolarHBondContact O-N 3.34Å; F579-L582 VanDerWaalsContact O-N 3.16Å; L582-R586 PolarHBondContact O-N 3.45Å; L582-R586 VanDerWaalsContact O-N 3.08Å; L582-I587 HydrophobicContact CD2-CB 4.09Å; L582-I587 HydrophobicContact CD2-CD1 4.15Å; L582-I587 HydrophobicContact CD2-CG2 4.15Å; L582-I587 PolarHBondContact O-N 2.76Å; L582-R588 CarbonylContact C-O 3.55Å; L582-R588 VanDerWaalsContact C-O 3.28Å; L582-R588 HydrophobicContact CB-CB 4.07Å; L582-R588 WeakPolarHBondContact CB-O 3.31Å; L582-R588 HydrophobicContact CD1-CB 4.19Å; L582-R588 PolarHBondContact O-N 2.7Å
583	K	88	Confident	90.2	Very high	30 Å²	30	43 Å²	43	13%	0.13	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-49.1	173.6	-176.5	-169.9	-65.5	173.7	0	110.5	F579 D580 I581 L585 R586 R588 R590 I592 N593	F579-K583 WeakPolarHBondContact O-CB 3.49Å; F579-K583 PolarHBondContact O-N 2.72Å; D580-K583 VanDerWaalsContact OD1-CE 3.31Å; D580-K583 WeakPolarHBondContact OD1-CE 3.48Å; D580-K583 IonicContact OD1-NZ 2.69Å; D580-K583 PolarHBondContact OD1-NZ 3.15Å; I581-K583 PolarHBondContact O-N 3.03Å; K583-L585 VanDerWaalsContact C-N 3.3Å; K583-L585 PolarHBondContact O-N 3.23Å; K583-R586 PolarHBondContact O-N 3.1Å; K583-R588 PolarHBondContact N-O 2.75Å; K583-R590 WeakPolarHBondContact CE-O 3.11Å; K583-I592 PolarHBondContact NZ-O 3.12Å; K583-N593 HydrophobicContact CD-CB 3.89Å; K583-N593 HydrophobicContact CG-CB 4.26Å
584	S	89	Confident	90.1	Very high	98 Å²	98	41.6 Å²	41.6	69%	0.685	21%	0.208	S	C	*	.	H	α-helix	trans	-60.1	-37.7	177.1	-61.2	0	0	0	0	112.9	D580 I581 R586	D580-S584 VanDerWaalsContact O-CB 3.24Å; D580-S584 WeakPolarHBondContact O-CB 3.22Å; D580-S584 PolarHBondContact O-N 2.69Å; D580-S584 PolarHBondContact O-OG 3.17Å; I581-S584 PolarHBondContact O-N 3.49Å; S584-R586 VanDerWaalsContact C-N 3.32Å
585	L	87.3	Confident	89.9	Confident	50 Å²	50	43.9 Å²	43.9	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.6	176.6	-63.6	168.8	0	0	0	113.8	Q333 L555 I581 K583 I587	Q333-L585 PolarHBondContact NE2-O 2.86Å; Q333-L585 VanDerWaalsContact NE2-O 3.1Å; L555-L585 HydrophobicContact CB-CD1 3.52Å; L555-L585 HydrophobicContact CD1-CD1 3.86Å; L555-L585 HydrophobicContact CG-CD1 4.35Å; I581-L585 HydrophobicContact CG2-CD1 3.98Å; I581-L585 VanDerWaalsContact O-CG 3.31Å; I581-L585 WeakPolarHBondContact O-CG 3.27Å; I581-L585 PolarHBondContact O-N 2.86Å; I581-L585 VanDerWaalsContact O-N 3.08Å; K583-L585 VanDerWaalsContact C-N 3.3Å; K583-L585 PolarHBondContact O-N 3.23Å; L585-I587 HydrophobicContact CB-CD1 3.67Å; L585-I587 HydrophobicContact CB-CG1 3.87Å; L585-I587 HydrophobicContact CD1-CD1 3.84Å; L585-I587 HydrophobicContact CG-CD1 4.42Å; L585-I587 PolarHBondContact O-N 3.21Å
586	R	85	Confident	89.9	Confident	201 Å²	201	46 Å²	46	76%	0.758	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.5	-176.9	-55.2	177.2	176.9	169.4	-1.9	113.9	Q333 L582 K583 S584	Q333-R586 VanDerWaalsContact NE2-C 3.34Å; Q333-R586 PolarHBondContact NE2-O 2.91Å; Q333-R586 VanDerWaalsContact NE2-O 3.09Å; L582-R586 PolarHBondContact O-N 3.45Å; L582-R586 VanDerWaalsContact O-N 3.08Å; K583-R586 PolarHBondContact O-N 3.1Å; S584-R586 VanDerWaalsContact C-N 3.32Å
587	I	85	Confident	89.9	Confident	43 Å²	43	45.2 Å²	45.2	22%	0.221	24%	0.238	C	C	.	.	S	Bend	trans	-84.8	-45.8	177.5	-61.6	165.1	0	0	0	110.2	Q333 I355 L555 L582 L585	Q333-I587 HydrophobicContact CG-CD1 4.49Å; Q333-I587 HydrophobicContact CG-CG1 3.84Å; I355-I587 HydrophobicContact CD1-CD1 4.47Å; I355-I587 HydrophobicContact CD1-CG2 3.72Å; I355-I587 HydrophobicContact CG1-CG2 4.07Å; L555-I587 HydrophobicContact CB-CD1 3.77Å; L555-I587 HydrophobicContact CD2-CD1 4.35Å; L555-I587 HydrophobicContact CG-CD1 4.5Å; L582-I587 HydrophobicContact CD2-CB 4.09Å; L582-I587 HydrophobicContact CD2-CD1 4.15Å; L582-I587 HydrophobicContact CD2-CG2 4.15Å; L582-I587 PolarHBondContact O-N 2.76Å; L585-I587 HydrophobicContact CB-CD1 3.67Å; L585-I587 HydrophobicContact CB-CG1 3.87Å; L585-I587 HydrophobicContact CD1-CD1 3.84Å; L585-I587 HydrophobicContact CG-CD1 4.42Å; L585-I587 PolarHBondContact O-N 3.21Å
588	R	85.3	Confident	89.7	Confident	51 Å²	51	50.1 Å²	50.1	19%	0.192	27%	0.27	C	S	.	.			trans	-151.7	122.2	-179.5	-170.9	177.7	177.9	-148.8	-3.8	109.4	I355 D384 L582 K583	I355-R588 WeakPolarHBondContact O-CD 3.25Å; I355-R588 PolarHBondContact O-NH1 3.12Å; D384-R588 IonicContact OD1-CZ 2.59Å; D384-R588 IonicContact OD1-NH1 3.78Å; D384-R588 PolarHBondContact OD1-NH1 3.35Å; D384-R588 IonicContact OD1-NH2 3.66Å; D384-R588 PolarHBondContact OD1-NH2 3.09Å; D384-R588 IonicContact OD2-CZ 3.3Å; D384-R588 IonicContact OD2-NH1 3.63Å; D384-R588 PolarHBondContact OD2-NH1 2.94Å; D384-R588 IonicContact OD2-NH2 2.75Å; L582-R588 CarbonylContact C-O 3.55Å; L582-R588 VanDerWaalsContact C-O 3.28Å; L582-R588 HydrophobicContact CB-CB 4.07Å; L582-R588 WeakPolarHBondContact CB-O 3.31Å; L582-R588 HydrophobicContact CD1-CB 4.19Å; L582-R588 PolarHBondContact O-N 2.7Å; K583-R588 PolarHBondContact N-O 2.75Å
589	S	79	Confident	89.3	Confident	66 Å²	66	52.3 Å²	52.3	46%	0.462	28%	0.283	S	S	.	.			trans	-100.4	137	176.4	-59.8	0	0	0	0	110.2	P624	S589-P624 WeakPolarHBondContact O-CG 3.28Å
590	R	82.6	Confident	89.3	Confident	59 Å²	59	55 Å²	55	22%	0.223	30%	0.303	C	S	.	.			trans	-139.7	137.3	168.3	-168.5	175	-171.1	139.2	6	108.4	G382 F579 K583 I622	G382-R590 PolarHBondContact O-NH1 3.07Å; F579-R590 HydrophobicContact CD1-CB 3.62Å; F579-R590 HydrophobicContact CE1-CB 3.89Å; F579-R590 HydrophobicContact CE1-CG 4.47Å; F579-R590 HydrophobicContact CG-CB 4.02Å; F579-R590 HydrophobicContact CZ-CB 4.49Å; K583-R590 WeakPolarHBondContact CE-O 3.11Å; R590-I622 HydrophobicContact CG-CB 4.32Å
591	G	85.7	Confident	89.3	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	33%	0.328	C	S	.	.	S	Bend	trans	58.1	-161	-175.1	0	0	0	0	0	114.2	I621 I622 T623 P624	G591-I621 WeakPolarHBondContact CA-O 3.22Å; G591-I622 PolarHBondContact N-O 3.2Å; G591-T623 CarbonylContact C-O 3.55Å; G591-P624 WeakPolarHBondContact O-CA 3.18Å
592	I	89.9	Confident	89.3	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.062	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.8	-173.6	-57.9	154	0	0	0	111.1	K583 F594 L618 I621 M625 V627 I679	K583-I592 PolarHBondContact NZ-O 3.12Å; I592-F594 HydrophobicContact CB-CD2 4.31Å; I592-F594 HydrophobicContact CB-CE2 3.87Å; I592-F594 HydrophobicContact CB-CZ 4.1Å; I592-F594 HydrophobicContact CD1-CE2 4.19Å; I592-F594 HydrophobicContact CD1-CZ 3.85Å; I592-F594 HydrophobicContact CG2-CD1 3.89Å; I592-F594 HydrophobicContact CG2-CD2 3.79Å; I592-F594 HydrophobicContact CG2-CE1 3.71Å; I592-F594 HydrophobicContact CG2-CE2 3.6Å; I592-F594 HydrophobicContact CG2-CG 3.95Å; I592-F594 HydrophobicContact CG2-CZ 3.56Å; I592-L618 HydrophobicContact CD1-CB 3.62Å; I592-L618 HydrophobicContact CD1-CD1 3.83Å; I592-L618 HydrophobicContact CD1-CG 4.29Å; I592-I621 HydrophobicContact CD1-CB 4.24Å; I592-I621 HydrophobicContact CD1-CD1 4.28Å; I592-I621 HydrophobicContact CD1-CG2 4.37Å; I592-I621 HydrophobicContact CG1-CG2 4.28Å; I592-M625 HydrophobicContact CG1-CG 4.04Å; I592-M625 HydrophobicContact CG1-SD 4.45Å; I592-V627 HydrophobicContact CG2-CB 3.81Å; I592-V627 HydrophobicContact CG2-CG2 3.57Å; I592-I679 HydrophobicContact CD1-CG2 3.62Å; I592-I679 HydrophobicContact CG1-CG2 4.17Å
593	N	91.1	Very high	89.5	Confident	52 Å²	52	68.4 Å²	68.4	28%	0.278	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	103	166	-177.5	37.7	0	0	0	109.1	K583 I595 M625 D626 V627	K583-N593 HydrophobicContact CD-CB 3.89Å; K583-N593 HydrophobicContact CG-CB 4.26Å; N593-I595 PolarHBondContact O-N 2.84Å; N593-M625 PolarHBondContact N-O 2.88Å; N593-D626 WeakPolarHBondContact CB-OD1 3.47Å; N593-D626 PolarHBondContact ND2-OD1 3.41Å; N593-V627 PolarHBondContact O-N 3.26Å
594	F	93.1	Very high	89.8	Confident	37 Å²	37	70.9 Å²	70.9	16%	0.162	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.8	-179.6	-72.2	-73.1	0	0	0	111.4	I592 A596 L614 E615 L618 V627 I629 I679	I592-F594 HydrophobicContact CB-CD2 4.31Å; I592-F594 HydrophobicContact CB-CE2 3.87Å; I592-F594 HydrophobicContact CB-CZ 4.1Å; I592-F594 HydrophobicContact CD1-CE2 4.19Å; I592-F594 HydrophobicContact CD1-CZ 3.85Å; I592-F594 HydrophobicContact CG2-CD1 3.89Å; I592-F594 HydrophobicContact CG2-CD2 3.79Å; I592-F594 HydrophobicContact CG2-CE1 3.71Å; I592-F594 HydrophobicContact CG2-CE2 3.6Å; I592-F594 HydrophobicContact CG2-CG 3.95Å; I592-F594 HydrophobicContact CG2-CZ 3.56Å; F594-A596 PolarHBondContact O-N 3.04Å; F594-L614 HydrophobicContact CE1-CB 3.98Å; F594-L614 HydrophobicContact CE1-CD1 4.46Å; F594-L614 HydrophobicContact CZ-CB 3.87Å; F594-E615 HydrophobicContact CD2-CG 3.48Å; F594-E615 VanDerWaalsContact CD2-CG 3.48Å; F594-E615 HydrophobicContact CE2-CB 4.44Å; F594-E615 HydrophobicContact CE2-CG 3.7Å; F594-E615 HydrophobicContact CG-CG 4.29Å; F594-L618 HydrophobicContact CZ-CD1 4.13Å; F594-V627 CarbonylContact C-O 3.53Å; F594-V627 WeakPolarHBondContact CA-O 3.24Å; F594-V627 HydrophobicContact CD1-CB 3.98Å; F594-V627 HydrophobicContact CD1-CG1 3.97Å; F594-V627 HydrophobicContact CE1-CB 4.11Å; F594-V627 HydrophobicContact CE1-CG1 3.92Å; F594-I629 HydrophobicContact CD1-CD1 3.72Å; F594-I629 HydrophobicContact CE1-CD1 4.05Å; F594-I679 HydrophobicContact CE1-CD1 4.33Å
595	I	93	Very high	90.1	Very high	52 Å²	52	67 Å²	67	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	78.3	179.2	-54.8	174.5	0	0	0	108.1	N593 D626 V627 S628 I629 I630	N593-I595 PolarHBondContact O-N 2.84Å; I595-D626 HydrophobicContact CD1-CB 4.2Å; I595-V627 PolarHBondContact N-O 3.22Å; I595-S628 VanDerWaalsContact O-CA 3.31Å; I595-S628 WeakPolarHBondContact O-CA 3.45Å; I595-I629 PolarHBondContact O-N 3.05Å; I595-I630 WeakPolarHBondContact O-CD1 3.36Å
596	A	94.7	Very high	90.5	Very high	45 Å²	45	68.8 Å²	68.8	37%	0.372	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.3	-179.8	0	0	0	0	0	112.3	F594 V611 I629	F594-A596 PolarHBondContact O-N 3.04Å; A596-V611 HydrophobicContact CB-CG1 4.45Å; A596-V611 HydrophobicContact CB-CG2 3.6Å; A596-I629 WeakPolarHBondContact CA-O 3.47Å
597	C	95.1	Very high	91	Very high	30 Å²	30	59.3 Å²	59.3	20%	0.203	33%	0.328	C	S	.	.			trans	-78.2	148.4	165.5	73.6	0	0	0	0	110.7	T599 I629 I630 G631	C597-T599 PolarHBondContact O-N 3.36Å; C597-I629 PolarHBondContact N-O 2.98Å; C597-I630 HydrophobicContact CB-CD1 3.93Å; C597-I630 HydrophobicContact CB-CG2 4.13Å; C597-G631 PolarHBondContact SG-N 3.11Å
598	P	90.2	Very high	91.5	Very high	128 Å²	128	61.6 Å²	61.6	83%	0.831	34%	0.339	S	S	*	.			trans	-63.8	5.9	176.2	-23.6	34.6	0	0	0	116.3
599	T	87.9	Confident	92	Very high	46 Å²	46	60.3 Å²	60.3	28%	0.282	34%	0.342	S	S	.	.			trans	64.2	163.5	-164.6	78.4	0	0	0	0	114.8	C597 Q603 V607 I608	C597-T599 PolarHBondContact O-N 3.36Å; T599-Q603 VanDerWaalsContact CB-OE1 3.29Å; T599-V607 HydrophobicContact CG2-CB 3.92Å; T599-V607 HydrophobicContact CG2-CG1 4.41Å; T599-I608 HydrophobicContact CG2-CD1 3.86Å; T599-I608 HydrophobicContact CG2-CG1 3.67Å
600	C	92.9	Very high	92.8	Very high	66 Å²	66	57.6 Å²	57.6	45%	0.446	32%	0.323	S	S	.	.			trans	-163.7	179.1	165.5	63.8	0	0	0	0	108.6	R602 Q603	C600-R602 PolarHBondContact O-N 2.98Å; C600-Q603 PolarHBondContact O-N 2.8Å; C600-Q603 VanDerWaalsContact O-N 3.1Å
601	S	94.1	Very high	93.5	Very high	130 Å²	130	55.4 Å²	55.4	91%	0.909	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-1.7	176.4	54.7	0	0	0	0	115.6
602	R	94.7	Very high	93.9	Very high	157 Å²	157	59.4 Å²	59.4	59%	0.592	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	5.2	174.2	-56.2	179.4	174.8	172.1	-3.3	113.6	C600 C632	C600-R602 PolarHBondContact O-N 2.98Å; R602-C632 HydrophobicContact CB-CB 4.09Å; R602-C632 WeakPolarHBondContact O-CB 3.4Å
603	Q	95.2	Very high	94.2	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.35	34%	0.341	S	S	.	.			trans	-73.7	136.1	-177.1	74.5	179.9	-4.4	0	0	112.8	T599 C600 G631	T599-Q603 VanDerWaalsContact CB-OE1 3.29Å; C600-Q603 PolarHBondContact O-N 2.8Å; C600-Q603 VanDerWaalsContact O-N 3.1Å; Q603-G631 CarbonylContact C-O 3.38Å; Q603-G631 VanDerWaalsContact CA-O 3.28Å; Q603-G631 WeakPolarHBondContact CA-O 3.48Å
604	E	95.8	Very high	94.5	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	33%	0.328	S	S	.	.	S	Bend	trans	-102.2	-6.3	-175.6	-63.9	-88.1	-153.9	0	0	112.7	G631 N651 N668	E604-G631 PolarHBondContact N-O 3.2Å; E604-N651 PolarHBondContact OE1-N 3.21Å; E604-N651 WeakPolarHBondContact OE2-CA 3.48Å; E604-N651 PolarHBondContact OE2-N 3.07Å; E604-N668 PolarHBondContact O-ND2 3.29Å
605	F	94.8	Very high	94.5	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.066	34%	0.341	C	S	.	.	S	Bend	trans	-151	165.3	173.4	68.5	-87.4	0	0	0	109.6	V607 T610 I629 V647 S654 N668 M671	F605-V607 HydrophobicContact CD2-CG2 4.3Å; F605-V607 HydrophobicContact CE1-CG2 4.49Å; F605-V607 HydrophobicContact CE2-CB 4.42Å; F605-V607 HydrophobicContact CE2-CG2 3.85Å; F605-V607 HydrophobicContact CZ-CG2 3.95Å; F605-V607 PolarHBondContact O-N 2.86Å; F605-V607 VanDerWaalsContact O-N 3.11Å; F605-T610 HydrophobicContact CE2-CG2 4.31Å; F605-I629 HydrophobicContact CE2-CG2 3.78Å; F605-I629 HydrophobicContact CZ-CG2 3.8Å; F605-V647 HydrophobicContact CZ-CG1 4.02Å; F605-S654 WeakPolarHBondContact CD1-OG 3.43Å; F605-N668 HydrophobicContact CB-CB 4.07Å; F605-M671 HydrophobicContact CB-CE 4.21Å; F605-M671 HydrophobicContact CD1-CE 3.81Å; F605-M671 HydrophobicContact CD2-CE 4.03Å; F605-M671 HydrophobicContact CD2-CG 4.22Å; F605-M671 HydrophobicContact CE1-CE 4.11Å; F605-M671 HydrophobicContact CE2-CE 4.32Å; F605-M671 HydrophobicContact CE2-CG 4.29Å; F605-M671 HydrophobicContact CG-CE 3.77Å; F605-M671 HydrophobicContact CZ-CE 4.36Å
606	D	95	Very high	94.4	Very high	89 Å²	89	64.8 Å²	64.8	48%	0.476	36%	0.362	S	S	.	.			trans	-76.1	96.5	174.6	178.7	14.7	0	0	0	111	I608 G609 T610	D606-I608 VanDerWaalsContact C-N 3.32Å; D606-I608 PolarHBondContact OD1-N 2.8Å; D606-G609 VanDerWaalsContact CG-N 3.28Å; D606-G609 PolarHBondContact OD1-N 3.24Å; D606-G609 WeakPolarHBondContact OD2-CA 3.4Å; D606-G609 PolarHBondContact OD2-N 3.32Å; D606-G609 VanDerWaalsContact OD2-N 3.15Å; D606-T610 VanDerWaalsContact O-CB 3.26Å; D606-T610 WeakPolarHBondContact O-CB 3.38Å; D606-T610 PolarHBondContact O-N 3.43Å; D606-T610 VanDerWaalsContact O-N 3.1Å; D606-T610 PolarHBondContact O-OG1 3.19Å
607	V	95.8	Very high	94.4	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-36.3	176	177.3	0	0	0	0	111.6	T599 F605 T610 V611 I629	T599-V607 HydrophobicContact CG2-CB 3.92Å; T599-V607 HydrophobicContact CG2-CG1 4.41Å; F605-V607 HydrophobicContact CD2-CG2 4.3Å; F605-V607 HydrophobicContact CE1-CG2 4.49Å; F605-V607 HydrophobicContact CE2-CB 4.42Å; F605-V607 HydrophobicContact CE2-CG2 3.85Å; F605-V607 HydrophobicContact CZ-CG2 3.95Å; F605-V607 PolarHBondContact O-N 2.86Å; F605-V607 VanDerWaalsContact O-N 3.11Å; V607-T610 PolarHBondContact O-N 2.56Å; V607-V611 HydrophobicContact CG1-CG2 4.07Å; V607-V611 WeakPolarHBondContact O-CB 3.42Å; V607-V611 WeakPolarHBondContact O-CG2 3.46Å; V607-V611 PolarHBondContact O-N 3.34Å; V607-I629 HydrophobicContact CG1-CG2 4.16Å
608	I	95.4	Very high	94.3	Very high	90 Å²	90	66.1 Å²	66.1	46%	0.462	35%	0.353	S	S	.	.	H	α-helix	trans	-72.8	-49.1	-173.1	-62.7	170.4	0	0	0	109.6	T599 D606 T610 V611 N612	T599-I608 HydrophobicContact CG2-CD1 3.86Å; T599-I608 HydrophobicContact CG2-CG1 3.67Å; D606-I608 VanDerWaalsContact C-N 3.32Å; D606-I608 PolarHBondContact OD1-N 2.8Å; I608-T610 VanDerWaalsContact C-N 3.29Å; I608-T610 PolarHBondContact O-N 3.46Å; I608-V611 PolarHBondContact O-N 2.91Å; I608-N612 WeakPolarHBondContact O-CB 3.35Å; I608-N612 PolarHBondContact O-N 3.05Å; I608-N612 PolarHBondContact O-ND2 3.48Å; I608-N612 PolarHBondContact O-OD1 3.11Å
609	G	96	Very high	94.1	Very high	25 Å²	25	64.5 Å²	64.5	26%	0.258	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-40.2	172.4	0	0	0	0	0	112.4	D606 A613	D606-G609 VanDerWaalsContact CG-N 3.28Å; D606-G609 PolarHBondContact OD1-N 3.24Å; D606-G609 WeakPolarHBondContact OD2-CA 3.4Å; D606-G609 PolarHBondContact OD2-N 3.32Å; D606-G609 VanDerWaalsContact OD2-N 3.15Å; G609-A613 WeakPolarHBondContact O-CB 3.43Å; G609-A613 PolarHBondContact O-N 2.91Å; G609-A613 VanDerWaalsContact O-N 3.11Å
610	T	96.5	Very high	94	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-47.7	178.2	-58.2	0	0	0	0	112.3	F605 D606 V607 I608 L614 I629 M671 I672 L675	F605-T610 HydrophobicContact CE2-CG2 4.31Å; D606-T610 VanDerWaalsContact O-CB 3.26Å; D606-T610 WeakPolarHBondContact O-CB 3.38Å; D606-T610 PolarHBondContact O-N 3.43Å; D606-T610 VanDerWaalsContact O-N 3.1Å; D606-T610 PolarHBondContact O-OG1 3.19Å; V607-T610 PolarHBondContact O-N 2.56Å; I608-T610 VanDerWaalsContact C-N 3.29Å; I608-T610 PolarHBondContact O-N 3.46Å; T610-L614 HydrophobicContact CG2-CD1 3.79Å; T610-L614 WeakPolarHBondContact O-CB 3.25Å; T610-L614 VanDerWaalsContact O-CG 3.28Å; T610-L614 WeakPolarHBondContact O-CG 3.42Å; T610-L614 PolarHBondContact O-N 3.01Å; T610-I629 HydrophobicContact CG2-CD1 4.48Å; T610-I629 HydrophobicContact CG2-CG2 4.16Å; T610-M671 HydrophobicContact CG2-CG 3.86Å; T610-I672 HydrophobicContact CG2-CG1 4.28Å; T610-L675 HydrophobicContact CG2-CD1 3.95Å
611	V	95.9	Very high	93.7	Very high	13 Å²	13	64 Å²	64	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-53.5	-179.7	171.6	0	0	0	0	110.6	A596 V607 I608 A613 L614 E615 I629	A596-V611 HydrophobicContact CB-CG1 4.45Å; A596-V611 HydrophobicContact CB-CG2 3.6Å; V607-V611 HydrophobicContact CG1-CG2 4.07Å; V607-V611 WeakPolarHBondContact O-CB 3.42Å; V607-V611 WeakPolarHBondContact O-CG2 3.46Å; V607-V611 PolarHBondContact O-N 3.34Å; I608-V611 PolarHBondContact O-N 2.91Å; V611-A613 VanDerWaalsContact C-N 3.25Å; V611-A613 PolarHBondContact O-N 3.25Å; V611-L614 PolarHBondContact O-N 2.97Å; V611-L614 VanDerWaalsContact O-N 3.11Å; V611-E615 HydrophobicContact CG1-CG 4.22Å; V611-E615 WeakPolarHBondContact O-CG 3.5Å; V611-E615 PolarHBondContact O-N 3.3Å; V611-I629 HydrophobicContact CG2-CB 4.11Å; V611-I629 HydrophobicContact CG2-CD1 3.9Å; V611-I629 HydrophobicContact CG2-CG2 4.09Å
612	N	95.1	Very high	93.1	Very high	94 Å²	94	61.6 Å²	61.6	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-56.9	-40.5	-178.3	-64.8	-10.5	0	0	0	112	I608 Q616	I608-N612 WeakPolarHBondContact O-CB 3.35Å; I608-N612 PolarHBondContact O-N 3.05Å; I608-N612 PolarHBondContact O-ND2 3.48Å; I608-N612 PolarHBondContact O-OD1 3.11Å; N612-Q616 WeakPolarHBondContact O-CB 3.43Å; N612-Q616 PolarHBondContact O-N 3.31Å
613	A	96.7	Very high	92.7	Very high	22 Å²	22	54.4 Å²	54.4	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-70.4	-40	178.6	0	0	0	0	0	112.5	G609 V611 R617 I672	G609-A613 WeakPolarHBondContact O-CB 3.43Å; G609-A613 PolarHBondContact O-N 2.91Å; G609-A613 VanDerWaalsContact O-N 3.11Å; V611-A613 VanDerWaalsContact C-N 3.25Å; V611-A613 PolarHBondContact O-N 3.25Å; A613-R617 WeakPolarHBondContact O-CB 3.25Å; A613-R617 WeakPolarHBondContact O-CD 3.21Å; A613-R617 WeakPolarHBondContact O-CG 3.28Å; A613-R617 PolarHBondContact O-N 3.15Å; A613-I672 HydrophobicContact CB-CD1 3.71Å; A613-I672 HydrophobicContact CB-CG1 4.19Å; A613-I672 HydrophobicContact CB-CG2 3.94Å
614	L	96.7	Very high	92.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-37.9	178	-72.5	171.7	0	0	0	112.4	F594 T610 V611 R617 L618 I629 I672 L675 E676 I679	F594-L614 HydrophobicContact CE1-CB 3.98Å; F594-L614 HydrophobicContact CE1-CD1 4.46Å; F594-L614 HydrophobicContact CZ-CB 3.87Å; T610-L614 HydrophobicContact CG2-CD1 3.79Å; T610-L614 WeakPolarHBondContact O-CB 3.25Å; T610-L614 VanDerWaalsContact O-CG 3.28Å; T610-L614 WeakPolarHBondContact O-CG 3.42Å; T610-L614 PolarHBondContact O-N 3.01Å; V611-L614 PolarHBondContact O-N 2.97Å; V611-L614 VanDerWaalsContact O-N 3.11Å; L614-R617 PolarHBondContact O-N 2.94Å; L614-L618 HydrophobicContact CB-CD1 4.21Å; L614-L618 HydrophobicContact CD2-CD1 3.87Å; L614-L618 VanDerWaalsContact O-CB 3.22Å; L614-L618 WeakPolarHBondContact O-CB 3.3Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.03Å; L614-L618 VanDerWaalsContact O-N 3.08Å; L614-I629 HydrophobicContact CD1-CD1 3.69Å; L614-I672 HydrophobicContact CD2-CG2 4.14Å; L614-I672 HydrophobicContact CG-CG2 4.37Å; L614-L675 HydrophobicContact CD1-CB 3.84Å; L614-L675 HydrophobicContact CD1-CD1 3.76Å; L614-L675 HydrophobicContact CD1-CG 4.46Å; L614-L675 HydrophobicContact CD2-CB 4.11Å; L614-E676 HydrophobicContact CD2-CB 4.05Å; L614-I679 HydrophobicContact CD2-CD1 4.44Å
615	E	92.7	Very high	92	Very high	94 Å²	94	49.6 Å²	49.6	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-57.7	-50.4	172.5	-75.8	178.5	162.4	0	0	110.7	F594 V611 E619	F594-E615 HydrophobicContact CD2-CG 3.48Å; F594-E615 VanDerWaalsContact CD2-CG 3.48Å; F594-E615 HydrophobicContact CE2-CB 4.44Å; F594-E615 HydrophobicContact CE2-CG 3.7Å; F594-E615 HydrophobicContact CG-CG 4.29Å; V611-E615 HydrophobicContact CG1-CG 4.22Å; V611-E615 WeakPolarHBondContact O-CG 3.5Å; V611-E615 PolarHBondContact O-N 3.3Å; E615-E619 VanDerWaalsContact O-CG 3.25Å; E615-E619 WeakPolarHBondContact O-CG 3.39Å; E615-E619 PolarHBondContact O-N 3.03Å
616	Q	92	Very high	91.9	Very high	150 Å²	150	51.8 Å²	51.8	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-66.6	-40.1	178.4	-172.5	-177.3	5.5	0	0	113.3	N612 L618	N612-Q616 WeakPolarHBondContact O-CB 3.43Å; N612-Q616 PolarHBondContact O-N 3.31Å; Q616-L618 VanDerWaalsContact C-N 3.3Å; Q616-L618 PolarHBondContact O-N 3.43Å
617	R	94.5	Very high	91.9	Very high	95 Å²	95	47.6 Å²	47.6	36%	0.358	25%	0.247	S	C	.	.	H	α-helix	trans	-77.3	-13.4	-175.9	-71.4	168.8	66.6	155.5	2.4	113.5	A613 L614 D673 E676 R680	A613-R617 WeakPolarHBondContact O-CB 3.25Å; A613-R617 WeakPolarHBondContact O-CD 3.21Å; A613-R617 WeakPolarHBondContact O-CG 3.28Å; A613-R617 PolarHBondContact O-N 3.15Å; L614-R617 PolarHBondContact O-N 2.94Å; R617-D673 IonicContact CZ-OD1 2.78Å; R617-D673 IonicContact NH1-OD1 3.29Å; R617-D673 PolarHBondContact NH1-OD1 3.02Å; R617-D673 IonicContact NH1-OD2 2.78Å; R617-D673 IonicContact NH2-OD1 3.8Å; R617-D673 PolarHBondContact NH2-OD1 3.42Å; R617-E676 IonicContact CZ-OE2 3.83Å; R617-E676 IonicContact NE-OE2 2.74Å; R617-E676 PolarHBondContact NE-OE2 2.89Å; R617-E676 IonicContact NH2-OE2 2.9Å; R617-E676 PolarHBondContact NH2-OE2 3.04Å; R617-R680 PolarHBondContact O-NH2 3.44Å
618	L	93	Very high	92	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	16.2	-172.8	-55.2	169	0	0	0	114	I592 F594 L614 Q616 D620 I621 E676 I679 R680	I592-L618 HydrophobicContact CD1-CB 3.62Å; I592-L618 HydrophobicContact CD1-CD1 3.83Å; I592-L618 HydrophobicContact CD1-CG 4.29Å; F594-L618 HydrophobicContact CZ-CD1 4.13Å; L614-L618 HydrophobicContact CB-CD1 4.21Å; L614-L618 HydrophobicContact CD2-CD1 3.87Å; L614-L618 VanDerWaalsContact O-CB 3.22Å; L614-L618 WeakPolarHBondContact O-CB 3.3Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.03Å; L614-L618 VanDerWaalsContact O-N 3.08Å; Q616-L618 VanDerWaalsContact C-N 3.3Å; Q616-L618 PolarHBondContact O-N 3.43Å; L618-D620 PolarHBondContact O-N 3.36Å; L618-D620 VanDerWaalsContact O-N 3.07Å; L618-I621 HydrophobicContact CB-CD1 4.2Å; L618-I621 HydrophobicContact CB-CG1 4.44Å; L618-I621 HydrophobicContact CD2-CD1 3.58Å; L618-I621 HydrophobicContact CD2-CG1 4.38Å; L618-I621 HydrophobicContact CG-CD1 4.38Å; L618-I621 PolarHBondContact O-N 3.32Å; L618-E676 HydrophobicContact CD2-CB 4.29Å; L618-E676 HydrophobicContact CD2-CG 3.82Å; L618-I679 HydrophobicContact CD1-CB 4.22Å; L618-I679 HydrophobicContact CD1-CD1 3.66Å; L618-I679 HydrophobicContact CD1-CG2 4.03Å; L618-R680 HydrophobicContact CD2-CG 4.09Å
619	E	85.3	Confident	92	Very high	95 Å²	95	43.2 Å²	43.2	44%	0.444	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.1	174.3	-63	-162.4	171.9	0	0	113.6	K576 E615	K576-E619 WeakPolarHBondContact CE-OE1 3.32Å; K576-E619 WeakPolarHBondContact CE-OE2 3.36Å; K576-E619 IonicContact NZ-OE1 3.55Å; K576-E619 PolarHBondContact NZ-OE1 3.32Å; K576-E619 IonicContact NZ-OE2 3.55Å; K576-E619 PolarHBondContact NZ-OE2 3Å; E615-E619 VanDerWaalsContact O-CG 3.25Å; E615-E619 WeakPolarHBondContact O-CG 3.39Å; E615-E619 PolarHBondContact O-N 3.03Å
620	D	84.9	Confident	92.1	Very high	87 Å²	87	42.3 Å²	42.3	47%	0.465	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.6	176.5	69.2	-61.7	0	0	0	113.9	L618 I622 R680	L618-D620 PolarHBondContact O-N 3.36Å; L618-D620 VanDerWaalsContact O-N 3.07Å; D620-I622 PolarHBondContact O-N 3.27Å; D620-I622 VanDerWaalsContact O-N 3.14Å; D620-R680 IonicContact OD1-CZ 2.65Å; D620-R680 IonicContact OD1-NH1 2.72Å; D620-R680 PolarHBondContact OD1-NH1 3.14Å; D620-R680 IonicContact OD1-NH2 3.5Å; D620-R680 PolarHBondContact OD1-NH2 3.18Å; D620-R680 IonicContact OD2-CZ 3.74Å; D620-R680 IonicContact OD2-NH1 2.9Å; D620-R680 PolarHBondContact OD2-NH1 3.4Å; D620-R680 IonicContact OD2-NH2 3.44Å
621	I	86.7	Confident	92.1	Very high	14 Å²	14	42 Å²	42	7%	0.072	21%	0.212	C	C	.	.			trans	-79.3	101.4	-179.5	-59.9	-174.9	0	0	0	109.4	G591 I592 L618 M625 I679 R680 A683	G591-I621 WeakPolarHBondContact CA-O 3.22Å; I592-I621 HydrophobicContact CD1-CB 4.24Å; I592-I621 HydrophobicContact CD1-CD1 4.28Å; I592-I621 HydrophobicContact CD1-CG2 4.37Å; I592-I621 HydrophobicContact CG1-CG2 4.28Å; L618-I621 HydrophobicContact CB-CD1 4.2Å; L618-I621 HydrophobicContact CB-CG1 4.44Å; L618-I621 HydrophobicContact CD2-CD1 3.58Å; L618-I621 HydrophobicContact CD2-CG1 4.38Å; L618-I621 HydrophobicContact CG-CD1 4.38Å; L618-I621 PolarHBondContact O-N 3.32Å; I621-M625 HydrophobicContact CG2-CE 4.26Å; I621-I679 HydrophobicContact CD1-CG2 3.93Å; I621-R680 HydrophobicContact CD1-CG 3.81Å; I621-A683 HydrophobicContact CD1-CB 4.38Å; I621-A683 HydrophobicContact CG2-CB 3.93Å
622	I	81.7	Confident	92	Very high	80 Å²	80	42.1 Å²	42.1	41%	0.41	21%	0.213	S	C	.	.			trans	-83.1	-11.7	175.7	62.1	170.7	0	0	0	113.6	R590 G591 D620 P624	R590-I622 HydrophobicContact CG-CB 4.32Å; G591-I622 PolarHBondContact N-O 3.2Å; D620-I622 PolarHBondContact O-N 3.27Å; D620-I622 VanDerWaalsContact O-N 3.14Å; I622-P624 VanDerWaalsContact O-CD 3.3Å; I622-P624 WeakPolarHBondContact O-CD 3.23Å
623	T	86.2	Confident	92	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.031	22%	0.216	C	C	.	.	S	Bend	trans	-66.1	117.8	-177.8	-46.6	0	0	0	0	112.1	G591 M625 L686 D687	G591-T623 CarbonylContact C-O 3.55Å; T623-M625 HydrophobicContact CG2-CE 4.15Å; T623-M625 PolarHBondContact O-N 3.4Å; T623-L686 HydrophobicContact CG2-CB 3.76Å; T623-L686 HydrophobicContact CG2-CD1 4.36Å; T623-D687 WeakPolarHBondContact CB-OD1 3.35Å; T623-D687 WeakPolarHBondContact CG2-OD1 3.39Å; T623-D687 PolarHBondContact OG1-OD1 3.35Å; T623-D687 PolarHBondContact OG1-OD2 3.05Å
624	P	86.7	Confident	91.8	Very high	45 Å²	45	45 Å²	45	29%	0.292	23%	0.231	S	C	.	.			trans	-64.7	122.1	178.8	-25.6	36	0	0	0	113.4	S589 G591 I622 R690	S589-P624 WeakPolarHBondContact O-CG 3.28Å; G591-P624 WeakPolarHBondContact O-CA 3.18Å; I622-P624 VanDerWaalsContact O-CD 3.3Å; I622-P624 WeakPolarHBondContact O-CD 3.23Å; P624-R690 PolarHBondContact O-NH1 2.83Å
625	M	90	Very high	91.5	Very high	11 Å²	11	49.9 Å²	49.9	5%	0.054	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	154	173.3	68.1	-179.5	83.7	0	0	113	I592 N593 I621 T623 V627 T644 I679 K682 A683 L686	I592-M625 HydrophobicContact CG1-CG 4.04Å; I592-M625 HydrophobicContact CG1-SD 4.45Å; N593-M625 PolarHBondContact N-O 2.88Å; I621-M625 HydrophobicContact CG2-CE 4.26Å; T623-M625 HydrophobicContact CG2-CE 4.15Å; T623-M625 PolarHBondContact O-N 3.4Å; M625-V627 HydrophobicContact CG-CG2 4.18Å; M625-V627 HydrophobicContact SD-CG2 4.25Å; M625-T644 HydrophobicContact CB-CG2 4.01Å; M625-I679 HydrophobicContact CE-CG2 4.5Å; M625-I679 HydrophobicContact SD-CG2 3.9Å; M625-K682 HydrophobicContact SD-CG 4.5Å; M625-A683 HydrophobicContact CE-CB 3.71Å; M625-L686 HydrophobicContact CB-CD1 4.27Å; M625-L686 HydrophobicContact CE-CD1 4.16Å
626	D	92.5	Very high	91.4	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.4	174.4	-67.7	-54.3	0	0	0	110.9	N593 I595 T644 L645	N593-D626 WeakPolarHBondContact CB-OD1 3.47Å; N593-D626 PolarHBondContact ND2-OD1 3.41Å; I595-D626 HydrophobicContact CD1-CB 4.2Å; D626-T644 PolarHBondContact N-OG1 2.93Å; D626-T644 VanDerWaalsContact N-OG1 3.15Å; D626-T644 WeakPolarHBondContact O-CA 3.41Å; D626-T644 VanDerWaalsContact O-CB 3.25Å; D626-T644 WeakPolarHBondContact O-CB 3.45Å; D626-T644 PolarHBondContact O-N 2.72Å; D626-L645 PolarHBondContact O-N 2.82Å; D626-L645 VanDerWaalsContact O-N 3.07Å
627	V	96.1	Very high	91.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	108.6	179.8	178.5	0	0	0	0	110.2	I592 N593 F594 I595 M625 I629 L645 I679	I592-V627 HydrophobicContact CG2-CB 3.81Å; I592-V627 HydrophobicContact CG2-CG2 3.57Å; N593-V627 PolarHBondContact O-N 3.26Å; F594-V627 CarbonylContact C-O 3.53Å; F594-V627 WeakPolarHBondContact CA-O 3.24Å; F594-V627 HydrophobicContact CD1-CB 3.98Å; F594-V627 HydrophobicContact CD1-CG1 3.97Å; F594-V627 HydrophobicContact CE1-CB 4.11Å; F594-V627 HydrophobicContact CE1-CG1 3.92Å; I595-V627 PolarHBondContact N-O 3.22Å; M625-V627 HydrophobicContact CG-CG2 4.18Å; M625-V627 HydrophobicContact SD-CG2 4.25Å; V627-I629 HydrophobicContact CG1-CG1 4.32Å; V627-L645 VanDerWaalsContact CA-O 3.32Å; V627-L645 WeakPolarHBondContact CA-O 3.12Å; V627-L645 HydrophobicContact CG1-CB 4.49Å; V627-L645 HydrophobicContact CG1-CD2 4.43Å; V627-L645 HydrophobicContact CG2-CB 4.2Å; V627-I679 HydrophobicContact CG1-CD1 3.99Å; V627-I679 HydrophobicContact CG1-CG1 4.45Å; V627-I679 HydrophobicContact CG2-CD1 4.34Å; V627-I679 HydrophobicContact CG2-CG1 4.21Å
628	S	96.7	Very high	91.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	178.5	47.4	0	0	0	0	113.4	I595 A640 S643 L645 G646 V647	I595-S628 VanDerWaalsContact O-CA 3.31Å; I595-S628 WeakPolarHBondContact O-CA 3.45Å; S628-A640 WeakPolarHBondContact OG-CA 3.15Å; S628-S643 VanDerWaalsContact CB-OG 3.26Å; S628-S643 WeakPolarHBondContact CB-OG 3.43Å; S628-S643 WeakPolarHBondContact OG-CB 3.4Å; S628-S643 PolarHBondContact OG-OG 3.1Å; S628-L645 PolarHBondContact N-O 2.67Å; S628-G646 WeakPolarHBondContact O-CA 3.39Å; S628-G646 VanDerWaalsContact OG-CA 3.3Å; S628-G646 WeakPolarHBondContact OG-CA 3.4Å; S628-V647 PolarHBondContact O-N 2.65Å
629	I	96.9	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	87.8	-177.9	-54.1	177.7	0	0	0	108.2	F594 I595 A596 C597 F605 V607 T610 V611 L614 V627 V647	F594-I629 HydrophobicContact CD1-CD1 3.72Å; F594-I629 HydrophobicContact CE1-CD1 4.05Å; I595-I629 PolarHBondContact O-N 3.05Å; A596-I629 WeakPolarHBondContact CA-O 3.47Å; C597-I629 PolarHBondContact N-O 2.98Å; F605-I629 HydrophobicContact CE2-CG2 3.78Å; F605-I629 HydrophobicContact CZ-CG2 3.8Å; V607-I629 HydrophobicContact CG1-CG2 4.16Å; T610-I629 HydrophobicContact CG2-CD1 4.48Å; T610-I629 HydrophobicContact CG2-CG2 4.16Å; V611-I629 HydrophobicContact CG2-CB 4.11Å; V611-I629 HydrophobicContact CG2-CD1 3.9Å; V611-I629 HydrophobicContact CG2-CG2 4.09Å; L614-I629 HydrophobicContact CD1-CD1 3.69Å; V627-I629 HydrophobicContact CG1-CG1 4.32Å; I629-V647 HydrophobicContact CB-CG1 4.22Å; I629-V647 HydrophobicContact CG1-CG1 4.25Å; I629-V647 HydrophobicContact CG2-CG1 3.95Å
630	I	96.7	Very high	91.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.4	-171.3	-49.4	-60.1	0	0	0	110	I595 C597 C632 N635 G636 E639 V647 G649	I595-I630 WeakPolarHBondContact O-CD1 3.36Å; C597-I630 HydrophobicContact CB-CD1 3.93Å; C597-I630 HydrophobicContact CB-CG2 4.13Å; I630-C632 PolarHBondContact O-N 2.71Å; I630-N635 HydrophobicContact CG2-CB 4.46Å; I630-G636 VanDerWaalsContact CG2-CA 3.47Å; I630-E639 HydrophobicContact CD1-CB 4.27Å; I630-E639 HydrophobicContact CD1-CG 4.01Å; I630-E639 HydrophobicContact CG1-CB 4.03Å; I630-E639 HydrophobicContact CG1-CG 4.11Å; I630-V647 PolarHBondContact N-O 2.81Å; I630-G649 PolarHBondContact O-N 2.79Å
631	G	96.4	Very high	92.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	-63.7	-6.9	-172.1	0	0	0	0	0	116.9	C597 Q603 E604 G649	C597-G631 PolarHBondContact SG-N 3.11Å; Q603-G631 CarbonylContact C-O 3.38Å; Q603-G631 VanDerWaalsContact CA-O 3.28Å; Q603-G631 WeakPolarHBondContact CA-O 3.48Å; E604-G631 PolarHBondContact N-O 3.2Å; G631-G649 WeakPolarHBondContact O-CA 3.26Å
632	C	95.1	Very high	92.3	Very high	15 Å²	15	38.8 Å²	38.8	10%	0.101	23%	0.23	C	C	.	.	S	Bend	trans	-148.7	160.4	-178.2	73.7	0	0	0	0	114	R602 I630 V634 G636 G649	R602-C632 HydrophobicContact CB-CB 4.09Å; R602-C632 WeakPolarHBondContact O-CB 3.4Å; I630-C632 PolarHBondContact O-N 2.71Å; C632-V634 PolarHBondContact O-N 3.07Å; C632-V634 VanDerWaalsContact O-N 3.16Å; C632-G636 PolarHBondContact O-N 2.96Å; C632-G649 CarbonylContact C-O 3.6Å; C632-G649 WeakPolarHBondContact CA-O 3.17Å
633	V	94.3	Very high	92.8	Very high	95 Å²	95	35.3 Å²	35.3	58%	0.576	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.7	178.1	-60.1	0	0	0	0	115.5	P637 G649	V633-P637 WeakPolarHBondContact O-CD 3.3Å; V633-G649 VanDerWaalsContact CG1-O 3.24Å; V633-G649 WeakPolarHBondContact CG1-O 3.47Å; V633-G649 PolarHBondContact N-O 2.96Å; V633-G649 VanDerWaalsContact N-O 3.11Å
634	V	93.2	Very high	93.1	Very high	81 Å²	81	36.4 Å²	36.4	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-52.9	-168.5	-175.6	0	0	0	0	111.9	C632	C632-V634 PolarHBondContact O-N 3.07Å; C632-V634 VanDerWaalsContact O-N 3.16Å
635	N	89.3	Confident	93.6	Very high	104 Å²	104	34.3 Å²	34.3	56%	0.556	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-20.9	174.5	-64.9	12.9	0	0	0	111.7	I630 G638 E639	I630-N635 HydrophobicContact CG2-CB 4.46Å; N635-G638 PolarHBondContact O-N 3.28Å; N635-E639 PolarHBondContact O-N 3.25Å
636	G	91.3	Very high	93.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-49.9	-53.8	-169.7	0	0	0	0	0	114.8	I630 C632 G638 E639 A640 T648	I630-G636 VanDerWaalsContact CG2-CA 3.47Å; C632-G636 PolarHBondContact O-N 2.96Å; G636-G638 PolarHBondContact O-N 3.33Å; G636-E639 PolarHBondContact O-N 3.03Å; G636-A640 WeakPolarHBondContact O-CB 3.44Å; G636-A640 PolarHBondContact O-N 2.65Å; G636-T648 WeakPolarHBondContact O-CG2 3.26Å
637	P	93.4	Very high	94.1	Very high	40 Å²	40	30.9 Å²	30.9	26%	0.26	19%	0.187	S	C	.	.	H	α-helix	trans	-58.2	-33.3	179.7	-26.3	35.9	0	0	0	113.4	V633 L641 T648	V633-P637 WeakPolarHBondContact O-CD 3.3Å; P637-L641 VanDerWaalsContact O-CB 3.28Å; P637-L641 WeakPolarHBondContact O-CB 3.28Å; P637-L641 VanDerWaalsContact O-CD1 3.27Å; P637-L641 WeakPolarHBondContact O-CD1 3.2Å; P637-L641 WeakPolarHBondContact O-CG 3.41Å; P637-L641 PolarHBondContact O-N 3.41Å; P637-T648 HydrophobicContact CG-CG2 4.5Å
638	G	91.7	Very high	94.1	Very high	45 Å²	45	31.1 Å²	31.1	46%	0.464	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-51.7	178.4	0	0	0	0	0	112.5	N635 G636	N635-G638 PolarHBondContact O-N 3.28Å; G636-G638 PolarHBondContact O-N 3.33Å
639	E	92.1	Very high	94.1	Very high	75 Å²	75	31.1 Å²	31.1	35%	0.35	19%	0.189	S	C	.	.	H	α-helix	trans	-68.7	-40.1	178.9	-50.1	-55.7	155.6	0	0	111.7	I630 N635 G636 L641 V642 S643	I630-E639 HydrophobicContact CD1-CB 4.27Å; I630-E639 HydrophobicContact CD1-CG 4.01Å; I630-E639 HydrophobicContact CG1-CB 4.03Å; I630-E639 HydrophobicContact CG1-CG 4.11Å; N635-E639 PolarHBondContact O-N 3.25Å; G636-E639 PolarHBondContact O-N 3.03Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 2.92Å; E639-V642 VanDerWaalsContact O-CG2 3.27Å; E639-V642 WeakPolarHBondContact O-CG2 3.09Å; E639-V642 PolarHBondContact O-N 3.5Å; E639-S643 PolarHBondContact O-N 2.79Å; E639-S643 VanDerWaalsContact O-N 3.14Å; E639-S643 PolarHBondContact O-OG 3.16Å
640	A	93.5	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.1	-25.5	-178.5	0	0	0	0	0	113.6	S628 G636 V642 T648 Y657	S628-A640 WeakPolarHBondContact OG-CA 3.15Å; G636-A640 WeakPolarHBondContact O-CB 3.44Å; G636-A640 PolarHBondContact O-N 2.65Å; A640-V642 VanDerWaalsContact C-N 3.35Å; A640-T648 HydrophobicContact CB-CG2 3.53Å; A640-Y657 HydrophobicContact CB-CD1 4.36Å; A640-Y657 HydrophobicContact CB-CD2 3.6Å; A640-Y657 HydrophobicContact CB-CE2 4.17Å; A640-Y657 HydrophobicContact CB-CG 3.74Å
641	L	93.7	Very high	93.9	Very high	53 Å²	53	36.2 Å²	36.2	28%	0.277	22%	0.219	S	C	.	.	H	α-helix	trans	-75.5	-19.5	174.3	-76.4	168.6	0	0	0	113.8	P637 E639 Y657 G660	P637-L641 VanDerWaalsContact O-CB 3.28Å; P637-L641 WeakPolarHBondContact O-CB 3.28Å; P637-L641 VanDerWaalsContact O-CD1 3.27Å; P637-L641 WeakPolarHBondContact O-CD1 3.2Å; P637-L641 WeakPolarHBondContact O-CG 3.41Å; P637-L641 PolarHBondContact O-N 3.41Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 2.92Å; L641-Y657 HydrophobicContact CD2-CD1 4.02Å; L641-Y657 HydrophobicContact CD2-CE1 4.1Å; L641-Y657 HydrophobicContact CG-CD1 4.35Å; L641-Y657 HydrophobicContact CG-CE1 4.27Å; L641-G660 WeakPolarHBondContact CD2-O 3.23Å; L641-G660 WeakPolarHBondContact O-CA 3.5Å
642	V	90.7	Very high	93.7	Very high	96 Å²	96	43.9 Å²	43.9	58%	0.582	25%	0.251	S	S	*	.	H	α-helix	trans	-107.3	-6.9	179.1	-60.7	0	0	0	0	113.9	E639 A640	E639-V642 VanDerWaalsContact O-CG2 3.27Å; E639-V642 WeakPolarHBondContact O-CG2 3.09Å; E639-V642 PolarHBondContact O-N 3.5Å; A640-V642 VanDerWaalsContact C-N 3.35Å
643	S	91.9	Very high	93.8	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.042	26%	0.264	C	S	.	.	S	Bend	trans	-85.6	162.2	177.6	-56.2	0	0	0	0	112.1	S628 E639 L645	S628-S643 VanDerWaalsContact CB-OG 3.26Å; S628-S643 WeakPolarHBondContact CB-OG 3.43Å; S628-S643 WeakPolarHBondContact OG-CB 3.4Å; S628-S643 PolarHBondContact OG-OG 3.1Å; E639-S643 PolarHBondContact O-N 2.79Å; E639-S643 VanDerWaalsContact O-N 3.14Å; E639-S643 PolarHBondContact O-OG 3.16Å; S643-L645 WeakPolarHBondContact CB-O 3.18Å
644	T	93.5	Very high	93.9	Very high	28 Å²	28	42.6 Å²	42.6	17%	0.172	24%	0.237	C	C	.	.	S	Bend	trans	-68.7	-41.4	169.3	-49.3	0	0	0	0	110.9	M625 D626 E658 D659 K682 L686	M625-T644 HydrophobicContact CB-CG2 4.01Å; D626-T644 PolarHBondContact N-OG1 2.93Å; D626-T644 VanDerWaalsContact N-OG1 3.15Å; D626-T644 WeakPolarHBondContact O-CA 3.41Å; D626-T644 VanDerWaalsContact O-CB 3.25Å; D626-T644 WeakPolarHBondContact O-CB 3.45Å; D626-T644 PolarHBondContact O-N 2.72Å; T644-E658 WeakPolarHBondContact O-CA 3.38Å; T644-D659 PolarHBondContact O-N 3.1Å; T644-K682 HydrophobicContact CG2-CD 4.42Å; T644-K682 VanDerWaalsContact CG2-CE 3.48Å; T644-K682 HydrophobicContact CG2-CG 4.04Å; T644-L686 HydrophobicContact CG2-CD1 4.16Å
645	L	95.9	Very high	94.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.8	169.1	-156.1	102.7	0	0	0	109.1	D626 V627 S628 S643 L656 Y657 E658 L675 R678 I679	D626-L645 PolarHBondContact O-N 2.82Å; D626-L645 VanDerWaalsContact O-N 3.07Å; V627-L645 VanDerWaalsContact CA-O 3.32Å; V627-L645 WeakPolarHBondContact CA-O 3.12Å; V627-L645 HydrophobicContact CG1-CB 4.49Å; V627-L645 HydrophobicContact CG1-CD2 4.43Å; V627-L645 HydrophobicContact CG2-CB 4.2Å; S628-L645 PolarHBondContact N-O 2.67Å; S643-L645 WeakPolarHBondContact CB-O 3.18Å; L645-L656 HydrophobicContact CD1-CD1 4.44Å; L645-L656 HydrophobicContact CD2-CD1 4.06Å; L645-L656 HydrophobicContact CG-CD1 4.06Å; L645-Y657 CarbonylContact C-O 3.4Å; L645-Y657 WeakPolarHBondContact CA-O 3.4Å; L645-E658 HydrophobicContact CD1-CB 4.35Å; L645-E658 HydrophobicContact CD1-CG 3.8Å; L645-L675 HydrophobicContact CD2-CD2 3.77Å; L645-R678 HydrophobicContact CD1-CB 4.04Å; L645-R678 HydrophobicContact CD2-CB 4.23Å; L645-I679 HydrophobicContact CD2-CG1 3.91Å
646	G	96.4	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	136	177.2	0	0	0	0	0	113.8	S628 L656 Y657	S628-G646 WeakPolarHBondContact O-CA 3.39Å; S628-G646 VanDerWaalsContact OG-CA 3.3Å; S628-G646 WeakPolarHBondContact OG-CA 3.4Å; G646-L656 CarbonylContact O-C 3.58Å; G646-Y657 PolarHBondContact N-O 2.7Å; G646-Y657 PolarHBondContact O-N 3.31Å
647	V	97.2	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.1	173	65.9	0	0	0	0	111.7	F605 S628 I629 I630 G655 M671 L675	F605-V647 HydrophobicContact CZ-CG1 4.02Å; S628-V647 PolarHBondContact O-N 2.65Å; I629-V647 HydrophobicContact CB-CG1 4.22Å; I629-V647 HydrophobicContact CG1-CG1 4.25Å; I629-V647 HydrophobicContact CG2-CG1 3.95Å; I630-V647 PolarHBondContact N-O 2.81Å; V647-G655 WeakPolarHBondContact CA-O 3.37Å; V647-M671 HydrophobicContact CG2-CE 4.11Å; V647-M671 HydrophobicContact CG2-SD 3.85Å; V647-L675 HydrophobicContact CB-CD2 4.3Å; V647-L675 HydrophobicContact CG1-CD1 3.99Å; V647-L675 HydrophobicContact CG1-CD2 4.43Å
648	T	96.8	Very high	94.8	Very high	7 Å²	7	35 Å²	35	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.5	-177.1	73.4	0	0	0	0	110	G636 P637 A640 G650 S654 G655 Y657	G636-T648 WeakPolarHBondContact O-CG2 3.26Å; P637-T648 HydrophobicContact CG-CG2 4.5Å; A640-T648 HydrophobicContact CB-CG2 3.53Å; T648-G650 PolarHBondContact O-N 2.84Å; T648-S654 CarbonylContact O-C 3.44Å; T648-S654 WeakPolarHBondContact O-CA 3.4Å; T648-S654 WeakPolarHBondContact O-CB 3.38Å; T648-G655 PolarHBondContact N-O 3.18Å; T648-G655 PolarHBondContact O-N 2.64Å; T648-G655 PolarHBondContact OG1-O 3.15Å; T648-Y657 HydrophobicContact CG2-CD2 3.79Å; T648-Y657 HydrophobicContact CG2-CE2 3.36Å
649	G	96.3	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.			trans	-58	129.4	-171.9	0	0	0	0	0	113.3	I630 G631 C632 V633 S654	I630-G649 PolarHBondContact O-N 2.79Å; G631-G649 WeakPolarHBondContact O-CA 3.26Å; C632-G649 CarbonylContact C-O 3.6Å; C632-G649 WeakPolarHBondContact CA-O 3.17Å; V633-G649 VanDerWaalsContact CG1-O 3.24Å; V633-G649 WeakPolarHBondContact CG1-O 3.47Å; V633-G649 PolarHBondContact N-O 2.96Å; V633-G649 VanDerWaalsContact N-O 3.11Å; G649-S654 WeakPolarHBondContact CA-OG 3.46Å
650	G	95.3	Very high	94.6	Very high	10 Å²	10	34 Å²	34	10%	0.103	18%	0.178	C	C	.	.			trans	-149.7	148.1	175.8	0	0	0	0	0	111.4	T648 K652 K653 S654 N668	T648-G650 PolarHBondContact O-N 2.84Å; G650-K652 PolarHBondContact O-N 2.95Å; G650-K653 CarbonylContact O-C 3.53Å; G650-K653 VanDerWaalsContact O-C 3.28Å; G650-K653 PolarHBondContact O-N 3.17Å; G650-S654 PolarHBondContact N-OG 3.45Å; G650-N668 PolarHBondContact O-ND2 2.89Å
651	N	93.2	Very high	94.6	Very high	104 Å²	104	37.9 Å²	37.9	56%	0.556	20%	0.201	S	C	*	.	S	Bend	trans	-46.7	122.8	-175.5	-169.5	-42.1	0	0	0	112.8	E604 K653 R665	E604-N651 PolarHBondContact OE1-N 3.21Å; E604-N651 WeakPolarHBondContact OE2-CA 3.48Å; E604-N651 PolarHBondContact OE2-N 3.07Å; N651-K653 PolarHBondContact O-N 3.35Å; N651-R665 PolarHBondContact O-NH2 3.39Å
652	K	93.5	Very high	94.6	Very high	161 Å²	161	42.1 Å²	42.1	70%	0.7	21%	0.213	S	C	*	.	S	Bend	trans	59.2	-36.5	-171.7	-66.8	172.6	-174.8	-177	0	116.9	G650 N668	G650-K652 PolarHBondContact O-N 2.95Å; K652-N668 VanDerWaalsContact C-CG 3.46Å; K652-N668 WeakPolarHBondContact O-CB 3.44Å; K652-N668 VanDerWaalsContact O-CG 3.26Å; K652-N668 PolarHBondContact O-N 3.37Å; K652-N668 PolarHBondContact O-OD1 3.1Å
653	K	96.5	Very high	94.8	Very high	84 Å²	84	42.2 Å²	42.2	37%	0.365	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	124	179	-59.7	-158.6	175	-111.7	0	112.8	G650 N651 R665 L666 D667 N668	G650-K653 CarbonylContact O-C 3.53Å; G650-K653 VanDerWaalsContact O-C 3.28Å; G650-K653 PolarHBondContact O-N 3.17Å; N651-K653 PolarHBondContact O-N 3.35Å; K653-R665 HydrophobicContact CB-CB 3.91Å; K653-R665 VanDerWaalsContact O-CZ 3.25Å; K653-R665 PolarHBondContact O-NE 3.26Å; K653-R665 PolarHBondContact O-NH2 3.42Å; K653-L666 CarbonylContact C-O 3.47Å; K653-L666 WeakPolarHBondContact CA-O 3.43Å; K653-L666 VanDerWaalsContact CB-O 3.23Å; K653-L666 WeakPolarHBondContact CB-O 3.35Å; K653-D667 WeakPolarHBondContact CE-OD2 3.4Å; K653-D667 IonicContact NZ-OD2 3.68Å; K653-D667 PolarHBondContact NZ-OD2 3.3Å; K653-N668 VanDerWaalsContact CA-OD1 3.3Å; K653-N668 WeakPolarHBondContact CA-OD1 3.49Å
654	S	97	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.6	-177.1	-59.9	0	0	0	0	111.3	F605 T648 G649 G650 R665 L666 N668 M671	F605-S654 WeakPolarHBondContact CD1-OG 3.43Å; T648-S654 CarbonylContact O-C 3.44Å; T648-S654 WeakPolarHBondContact O-CA 3.4Å; T648-S654 WeakPolarHBondContact O-CB 3.38Å; G649-S654 WeakPolarHBondContact CA-OG 3.46Å; G650-S654 PolarHBondContact N-OG 3.45Å; S654-R665 CarbonylContact O-C 3.58Å; S654-R665 WeakPolarHBondContact O-CA 3.34Å; S654-R665 WeakPolarHBondContact O-CB 3.46Å; S654-L666 PolarHBondContact N-O 2.98Å; S654-L666 PolarHBondContact O-N 3.28Å; S654-N668 WeakPolarHBondContact CB-OD1 3.35Å; S654-N668 PolarHBondContact N-OD1 3.49Å; S654-N668 PolarHBondContact OG-OD1 2.99Å; S654-M671 WeakPolarHBondContact OG-CE 3.41Å
655	G	96.8	Very high	94.8	Very high	4 Å²	4	49.2 Å²	49.2	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.7	-177.9	0	0	0	0	0	112.5	V647 T648	V647-G655 WeakPolarHBondContact CA-O 3.37Å; T648-G655 PolarHBondContact N-O 3.18Å; T648-G655 PolarHBondContact O-N 2.64Å; T648-G655 PolarHBondContact OG1-O 3.15Å
656	L	96.9	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.9	174.2	-176.9	66.2	0	0	0	111.3	L645 G646 E658 R662 K663 D664 L666 L675 R678	L645-L656 HydrophobicContact CD1-CD1 4.44Å; L645-L656 HydrophobicContact CD2-CD1 4.06Å; L645-L656 HydrophobicContact CG-CD1 4.06Å; G646-L656 CarbonylContact O-C 3.58Å; L656-E658 HydrophobicContact CD2-CG 4.33Å; L656-E658 HydrophobicContact CG-CG 4.32Å; L656-R662 CarbonylContact O-C 3.5Å; L656-R662 WeakPolarHBondContact O-CA 3.4Å; L656-R662 WeakPolarHBondContact O-CG 3.31Å; L656-K663 PolarHBondContact O-N 3.44Å; L656-D664 WeakPolarHBondContact CB-OD1 3.29Å; L656-D664 PolarHBondContact N-O 3.1Å; L656-D664 VanDerWaalsContact N-O 3.1Å; L656-L666 HydrophobicContact CB-CD2 4.49Å; L656-L666 HydrophobicContact CB-CG 4.28Å; L656-L666 HydrophobicContact CD1-CD1 4.34Å; L656-L666 HydrophobicContact CD2-CD2 4.18Å; L656-L675 HydrophobicContact CD1-CD2 4.36Å; L656-R678 HydrophobicContact CD2-CG 4.18Å
657	Y	96.6	Very high	94.8	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.9	171.9	-60.6	-112.4	0	0	0	109	A640 L641 L645 G646 T648 V661 R662	A640-Y657 HydrophobicContact CB-CD1 4.36Å; A640-Y657 HydrophobicContact CB-CD2 3.6Å; A640-Y657 HydrophobicContact CB-CE2 4.17Å; A640-Y657 HydrophobicContact CB-CG 3.74Å; L641-Y657 HydrophobicContact CD2-CD1 4.02Å; L641-Y657 HydrophobicContact CD2-CE1 4.1Å; L641-Y657 HydrophobicContact CG-CD1 4.35Å; L641-Y657 HydrophobicContact CG-CE1 4.27Å; L645-Y657 CarbonylContact C-O 3.4Å; L645-Y657 WeakPolarHBondContact CA-O 3.4Å; G646-Y657 PolarHBondContact N-O 2.7Å; G646-Y657 PolarHBondContact O-N 3.31Å; T648-Y657 HydrophobicContact CG2-CD2 3.79Å; T648-Y657 HydrophobicContact CG2-CE2 3.36Å; Y657-V661 WeakPolarHBondContact CA-O 3.35Å; Y657-R662 HydrophobicContact CD1-CB 3.76Å; Y657-R662 HydrophobicContact CD1-CG 4.3Å; Y657-R662 HydrophobicContact CD2-CG 4.46Å; Y657-R662 HydrophobicContact CE1-CB 3.62Å; Y657-R662 HydrophobicContact CE1-CG 4Å; Y657-R662 HydrophobicContact CE2-CG 4.13Å; Y657-R662 HydrophobicContact CG-CB 4.32Å
658	E	94.9	Very high	94.7	Very high	36 Å²	36	52.4 Å²	52.4	17%	0.168	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135	171.5	-36.9	168.7	150.6	0	0	107.9	T644 L645 L656 G660 V661 K663 R678	T644-E658 WeakPolarHBondContact O-CA 3.38Å; L645-E658 HydrophobicContact CD1-CB 4.35Å; L645-E658 HydrophobicContact CD1-CG 3.8Å; L656-E658 HydrophobicContact CD2-CG 4.33Å; L656-E658 HydrophobicContact CG-CG 4.32Å; E658-G660 PolarHBondContact O-N 3.16Å; E658-V661 PolarHBondContact N-O 3.32Å; E658-V661 PolarHBondContact O-N 2.85Å; E658-K663 HydrophobicContact CB-CG 4.23Å; E658-K663 HydrophobicContact CG-CD 4.46Å; E658-K663 HydrophobicContact CG-CG 3.65Å; E658-K663 WeakPolarHBondContact O-CE 3.48Å; E658-K663 WeakPolarHBondContact OE2-CE 3.18Å; E658-K663 WeakPolarHBondContact OE2-CG 3.39Å; E658-K663 IonicContact OE2-NZ 3.72Å; E658-R678 WeakPolarHBondContact OE1-CD 3.46Å; E658-R678 IonicContact OE1-CZ 3.46Å; E658-R678 IonicContact OE1-NE 3.48Å; E658-R678 IonicContact OE1-NH1 3.55Å; E658-R678 PolarHBondContact OE1-NH1 2.89Å
659	D	91.8	Very high	94.6	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	36.7	-177.8	-53.1	-64.3	0	0	0	114.2	T644 V661 K682	T644-D659 PolarHBondContact O-N 3.1Å; D659-V661 VanDerWaalsContact C-N 3.28Å; D659-V661 PolarHBondContact O-N 3.19Å; D659-K682 WeakPolarHBondContact OD1-CE 3.42Å; D659-K682 IonicContact OD1-NZ 3.12Å; D659-K682 PolarHBondContact OD1-NZ 3.42Å; D659-K682 IonicContact OD2-NZ 3.65Å; D659-K682 PolarHBondContact OD2-NZ 2.77Å
660	G	89	Confident	94.5	Very high	9 Å²	9	63 Å²	63	9%	0.093	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	9.9	-177.1	0	0	0	0	0	115.3	L641 E658	L641-G660 WeakPolarHBondContact CD2-O 3.23Å; L641-G660 WeakPolarHBondContact O-CA 3.5Å; E658-G660 PolarHBondContact O-N 3.16Å
661	V	93.6	Very high	94.4	Very high	81 Å²	81	62.7 Å²	62.7	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.7	177.9	-177.2	0	0	0	0	110.3	Y657 E658 D659 K663	Y657-V661 WeakPolarHBondContact CA-O 3.35Å; E658-V661 PolarHBondContact N-O 3.32Å; E658-V661 PolarHBondContact O-N 2.85Å; D659-V661 VanDerWaalsContact C-N 3.28Å; D659-V661 PolarHBondContact O-N 3.19Å; V661-K663 HydrophobicContact CG1-CD 4.46Å; V661-K663 PolarHBondContact O-N 2.77Å
662	R	94.1	Very high	94.5	Very high	142 Å²	142	59.8 Å²	59.8	54%	0.536	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.2	172.9	-168	178.9	177.8	-125.2	2.9	110.1	L656 Y657	L656-R662 CarbonylContact O-C 3.5Å; L656-R662 WeakPolarHBondContact O-CA 3.4Å; L656-R662 WeakPolarHBondContact O-CG 3.31Å; Y657-R662 HydrophobicContact CD1-CB 3.76Å; Y657-R662 HydrophobicContact CD1-CG 4.3Å; Y657-R662 HydrophobicContact CD2-CG 4.46Å; Y657-R662 HydrophobicContact CE1-CB 3.62Å; Y657-R662 HydrophobicContact CE1-CG 4Å; Y657-R662 HydrophobicContact CE2-CG 4.13Å; Y657-R662 HydrophobicContact CG-CB 4.32Å
663	K	93.4	Very high	94.6	Very high	97 Å²	97	56 Å²	56	42%	0.422	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-66.5	-177.1	-52.9	-62.5	-178	162.1	0	112.1	L656 E658 V661	L656-K663 PolarHBondContact O-N 3.44Å; E658-K663 HydrophobicContact CB-CG 4.23Å; E658-K663 HydrophobicContact CG-CD 4.46Å; E658-K663 HydrophobicContact CG-CG 3.65Å; E658-K663 WeakPolarHBondContact O-CE 3.48Å; E658-K663 WeakPolarHBondContact OE2-CE 3.18Å; E658-K663 WeakPolarHBondContact OE2-CG 3.39Å; E658-K663 IonicContact OE2-NZ 3.72Å; V661-K663 HydrophobicContact CG1-CD 4.46Å; V661-K663 PolarHBondContact O-N 2.77Å
664	D	91.2	Very high	94.6	Very high	57 Å²	57	54 Å²	54	31%	0.305	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-154.6	-170.6	56.3	43.9	0	0	0	111.6	L656 R678	L656-D664 WeakPolarHBondContact CB-OD1 3.29Å; L656-D664 PolarHBondContact N-O 3.1Å; L656-D664 VanDerWaalsContact N-O 3.1Å; D664-R678 IonicContact OD1-NH2 3.07Å; D664-R678 IonicContact OD2-CZ 3.2Å; D664-R678 IonicContact OD2-NH1 3.3Å; D664-R678 IonicContact OD2-NH2 2.67Å; D664-R678 PolarHBondContact OD2-NH2 2.95Å
665	R	95.4	Very high	94.5	Very high	124 Å²	124	54 Å²	54	47%	0.468	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	120.5	173.3	-61.9	176.3	70.2	-176.5	0.2	110.8	N651 K653 S654	N651-R665 PolarHBondContact O-NH2 3.39Å; K653-R665 HydrophobicContact CB-CB 3.91Å; K653-R665 VanDerWaalsContact O-CZ 3.25Å; K653-R665 PolarHBondContact O-NE 3.26Å; K653-R665 PolarHBondContact O-NH2 3.42Å; S654-R665 CarbonylContact O-C 3.58Å; S654-R665 WeakPolarHBondContact O-CA 3.34Å; S654-R665 WeakPolarHBondContact O-CB 3.46Å
666	L	95.7	Very high	94.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	148.1	174.2	-55.9	-171.3	0	0	0	110.9	K653 S654 L656 M671 Q674 L675	K653-L666 CarbonylContact C-O 3.47Å; K653-L666 WeakPolarHBondContact CA-O 3.43Å; K653-L666 VanDerWaalsContact CB-O 3.23Å; K653-L666 WeakPolarHBondContact CB-O 3.35Å; S654-L666 PolarHBondContact N-O 2.98Å; S654-L666 PolarHBondContact O-N 3.28Å; L656-L666 HydrophobicContact CB-CD2 4.49Å; L656-L666 HydrophobicContact CB-CG 4.28Å; L656-L666 HydrophobicContact CD1-CD1 4.34Å; L656-L666 HydrophobicContact CD2-CD2 4.18Å; L666-M671 HydrophobicContact CB-SD 4.11Å; L666-M671 HydrophobicContact CD1-SD 3.97Å; L666-Q674 VanDerWaalsContact CA-OE1 3.26Å; L666-Q674 HydrophobicContact CD1-CB 4.02Å; L666-Q674 HydrophobicContact CD2-CB 3.99Å; L666-Q674 HydrophobicContact CD2-CG 4.35Å; L666-Q674 HydrophobicContact CG-CB 4.41Å; L666-L675 HydrophobicContact CD1-CD2 3.6Å; L666-L675 HydrophobicContact CD1-CG 3.75Å
667	D	96.3	Very high	94.5	Very high	40 Å²	40	58 Å²	58	21%	0.214	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	133.6	169.4	-153.3	-75.2	0	0	0	111.7	K653 N669 D670 M671 Q674	K653-D667 WeakPolarHBondContact CE-OD2 3.4Å; K653-D667 IonicContact NZ-OD2 3.68Å; K653-D667 PolarHBondContact NZ-OD2 3.3Å; D667-N669 PolarHBondContact O-N 3.47Å; D667-N669 PolarHBondContact OD1-N 3.37Å; D667-N669 PolarHBondContact OD1-ND2 3.41Å; D667-D670 HydrophobicContact CB-CB 4.4Å; D667-D670 PolarHBondContact O-N 2.9Å; D667-M671 PolarHBondContact O-N 2.74Å; D667-Q674 PolarHBondContact O-NE2 3.04Å
668	N	94.7	Very high	94.4	Very high	24 Å²	24	60.4 Å²	60.4	13%	0.128	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.3	-175.3	-66	3.9	0	0	0	113.1	E604 F605 G650 K652 K653 S654 M671	E604-N668 PolarHBondContact O-ND2 3.29Å; F605-N668 HydrophobicContact CB-CB 4.07Å; G650-N668 PolarHBondContact O-ND2 2.89Å; K652-N668 VanDerWaalsContact C-CG 3.46Å; K652-N668 WeakPolarHBondContact O-CB 3.44Å; K652-N668 VanDerWaalsContact O-CG 3.26Å; K652-N668 PolarHBondContact O-N 3.37Å; K652-N668 PolarHBondContact O-OD1 3.1Å; K653-N668 VanDerWaalsContact CA-OD1 3.3Å; K653-N668 WeakPolarHBondContact CA-OD1 3.49Å; S654-N668 WeakPolarHBondContact CB-OD1 3.35Å; S654-N668 PolarHBondContact N-OD1 3.49Å; S654-N668 PolarHBondContact OG-OD1 2.99Å; N668-M671 HydrophobicContact CB-CE 4.41Å
669	N	94.2	Very high	94.5	Very high	152 Å²	152	58.7 Å²	58.7	81%	0.813	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.5	179.7	-54.5	-82.9	0	0	0	113.2	D667	D667-N669 PolarHBondContact O-N 3.47Å; D667-N669 PolarHBondContact OD1-N 3.37Å; D667-N669 PolarHBondContact OD1-ND2 3.41Å
670	D	93.7	Very high	94.6	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	29%	0.286	S	S	.	.	S	Bend	trans	-118.9	21.5	-173.2	-178.4	40.3	0	0	0	110.2	D667 I672 Q674	D667-D670 HydrophobicContact CB-CB 4.4Å; D667-D670 PolarHBondContact O-N 2.9Å; D670-I672 PolarHBondContact O-N 2.9Å; D670-Q674 WeakPolarHBondContact O-CB 3.06Å; D670-Q674 WeakPolarHBondContact O-CG 3.17Å; D670-Q674 PolarHBondContact O-N 3.36Å; D670-Q674 VanDerWaalsContact O-N 3.16Å; D670-Q674 PolarHBondContact O-NE2 2.99Å; D670-Q674 WeakPolarHBondContact OD2-CG 3.46Å; D670-Q674 PolarHBondContact OD2-NE2 3.22Å
671	M	93.2	Very high	94.9	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-40.7	-164.9	-171.8	66.3	79.1	0	0	113	F605 T610 V647 S654 L666 D667 N668 L675	F605-M671 HydrophobicContact CB-CE 4.21Å; F605-M671 HydrophobicContact CD1-CE 3.81Å; F605-M671 HydrophobicContact CD2-CE 4.03Å; F605-M671 HydrophobicContact CD2-CG 4.22Å; F605-M671 HydrophobicContact CE1-CE 4.11Å; F605-M671 HydrophobicContact CE2-CE 4.32Å; F605-M671 HydrophobicContact CE2-CG 4.29Å; F605-M671 HydrophobicContact CG-CE 3.77Å; F605-M671 HydrophobicContact CZ-CE 4.36Å; T610-M671 HydrophobicContact CG2-CG 3.86Å; V647-M671 HydrophobicContact CG2-CE 4.11Å; V647-M671 HydrophobicContact CG2-SD 3.85Å; S654-M671 WeakPolarHBondContact OG-CE 3.41Å; L666-M671 HydrophobicContact CB-SD 4.11Å; L666-M671 HydrophobicContact CD1-SD 3.97Å; D667-M671 PolarHBondContact O-N 2.74Å; N668-M671 HydrophobicContact CB-CE 4.41Å; M671-L675 HydrophobicContact CG-CD1 3.79Å; M671-L675 VanDerWaalsContact O-CB 3.27Å; M671-L675 WeakPolarHBondContact O-CB 3.32Å; M671-L675 WeakPolarHBondContact O-CG 3.49Å; M671-L675 PolarHBondContact O-N 3.49Å; M671-L675 HydrophobicContact SD-CD1 3.96Å; M671-L675 HydrophobicContact SD-CG 4.36Å
672	I	95.7	Very high	94.8	Very high	43 Å²	43	57.3 Å²	57.3	22%	0.221	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-49.8	-173.9	-62.6	162.2	0	0	0	110.2	T610 A613 L614 D670 L675 E676	T610-I672 HydrophobicContact CG2-CG1 4.28Å; A613-I672 HydrophobicContact CB-CD1 3.71Å; A613-I672 HydrophobicContact CB-CG1 4.19Å; A613-I672 HydrophobicContact CB-CG2 3.94Å; L614-I672 HydrophobicContact CD2-CG2 4.14Å; L614-I672 HydrophobicContact CG-CG2 4.37Å; D670-I672 PolarHBondContact O-N 2.9Å; I672-L675 PolarHBondContact O-N 2.76Å; I672-E676 PolarHBondContact O-N 2.84Å
673	D	96.7	Very high	94.7	Very high	80 Å²	80	50.9 Å²	50.9	43%	0.428	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-39.9	-176.9	-60.3	-71.6	0	0	0	111.8	R617 A677	R617-D673 IonicContact CZ-OD1 2.78Å; R617-D673 IonicContact NH1-OD1 3.29Å; R617-D673 PolarHBondContact NH1-OD1 3.02Å; R617-D673 IonicContact NH1-OD2 2.78Å; R617-D673 IonicContact NH2-OD1 3.8Å; R617-D673 PolarHBondContact NH2-OD1 3.42Å; D673-A677 WeakPolarHBondContact O-CB 3.3Å; D673-A677 PolarHBondContact O-N 3.18Å; D673-A677 VanDerWaalsContact O-N 3.09Å
674	Q	95.7	Very high	94.5	Very high	42 Å²	42	49.7 Å²	49.7	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-43.5	170.9	-74.9	166.3	107.3	0	0	112.3	L666 D667 D670 R678	L666-Q674 VanDerWaalsContact CA-OE1 3.26Å; L666-Q674 HydrophobicContact CD1-CB 4.02Å; L666-Q674 HydrophobicContact CD2-CB 3.99Å; L666-Q674 HydrophobicContact CD2-CG 4.35Å; L666-Q674 HydrophobicContact CG-CB 4.41Å; D667-Q674 PolarHBondContact O-NE2 3.04Å; D670-Q674 WeakPolarHBondContact O-CB 3.06Å; D670-Q674 WeakPolarHBondContact O-CG 3.17Å; D670-Q674 PolarHBondContact O-N 3.36Å; D670-Q674 VanDerWaalsContact O-N 3.16Å; D670-Q674 PolarHBondContact O-NE2 2.99Å; D670-Q674 WeakPolarHBondContact OD2-CG 3.46Å; D670-Q674 PolarHBondContact OD2-NE2 3.22Å; Q674-R678 VanDerWaalsContact O-CG 3.25Å; Q674-R678 WeakPolarHBondContact O-CG 3.42Å; Q674-R678 PolarHBondContact O-N 3.08Å
675	L	95.7	Very high	94.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-43.5	-179.8	-76.2	172.3	0	0	0	112.3	T610 L614 L645 V647 L656 L666 M671 I672 A677 R678 I679	T610-L675 HydrophobicContact CG2-CD1 3.95Å; L614-L675 HydrophobicContact CD1-CB 3.84Å; L614-L675 HydrophobicContact CD1-CD1 3.76Å; L614-L675 HydrophobicContact CD1-CG 4.46Å; L614-L675 HydrophobicContact CD2-CB 4.11Å; L645-L675 HydrophobicContact CD2-CD2 3.77Å; V647-L675 HydrophobicContact CB-CD2 4.3Å; V647-L675 HydrophobicContact CG1-CD1 3.99Å; V647-L675 HydrophobicContact CG1-CD2 4.43Å; L656-L675 HydrophobicContact CD1-CD2 4.36Å; L666-L675 HydrophobicContact CD1-CD2 3.6Å; L666-L675 HydrophobicContact CD1-CG 3.75Å; M671-L675 HydrophobicContact CG-CD1 3.79Å; M671-L675 VanDerWaalsContact O-CB 3.27Å; M671-L675 WeakPolarHBondContact O-CB 3.32Å; M671-L675 WeakPolarHBondContact O-CG 3.49Å; M671-L675 PolarHBondContact O-N 3.49Å; M671-L675 HydrophobicContact SD-CD1 3.96Å; M671-L675 HydrophobicContact SD-CG 4.36Å; I672-L675 PolarHBondContact O-N 2.76Å; L675-A677 VanDerWaalsContact C-N 3.33Å; L675-A677 PolarHBondContact O-N 2.78Å; L675-R678 PolarHBondContact O-N 3.22Å; L675-I679 HydrophobicContact CB-CD1 4.4Å; L675-I679 WeakPolarHBondContact O-CB 3.47Å; L675-I679 WeakPolarHBondContact O-CD1 3.33Å; L675-I679 WeakPolarHBondContact O-CG1 3.42Å; L675-I679 PolarHBondContact O-N 3.48Å
676	E	96.9	Very high	93.8	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-47	174.9	163	157.1	-144.8	0	0	111.3	L614 R617 L618 I672 R678 I679 R680	L614-E676 HydrophobicContact CD2-CB 4.05Å; R617-E676 IonicContact CZ-OE2 3.83Å; R617-E676 IonicContact NE-OE2 2.74Å; R617-E676 PolarHBondContact NE-OE2 2.89Å; R617-E676 IonicContact NH2-OE2 2.9Å; R617-E676 PolarHBondContact NH2-OE2 3.04Å; L618-E676 HydrophobicContact CD2-CB 4.29Å; L618-E676 HydrophobicContact CD2-CG 3.82Å; I672-E676 PolarHBondContact O-N 2.84Å; E676-R678 VanDerWaalsContact C-N 3.28Å; E676-R678 PolarHBondContact O-N 3.07Å; E676-I679 PolarHBondContact O-N 2.57Å; E676-R680 HydrophobicContact CG-CG 4.31Å; E676-R680 WeakPolarHBondContact O-CB 3.32Å; E676-R680 WeakPolarHBondContact O-CG 3.09Å; E676-R680 PolarHBondContact O-N 2.92Å; E676-R680 IonicContact OE1-CZ 2.76Å; E676-R680 VanDerWaalsContact OE1-CZ 3.3Å; E676-R680 IonicContact OE1-NE 3.84Å; E676-R680 PolarHBondContact OE1-NE 2.88Å; E676-R680 IonicContact OE1-NH2 2.69Å; E676-R680 PolarHBondContact OE1-NH2 2.78Å
677	A	96.3	Very high	92.9	Very high	62 Å²	62	51.6 Å²	51.6	51%	0.512	28%	0.279	S	S	.	.	H	α-helix	trans	-58.3	-41.1	178.4	0	0	0	0	0	112.1	D673 L675 A681	D673-A677 WeakPolarHBondContact O-CB 3.3Å; D673-A677 PolarHBondContact O-N 3.18Å; D673-A677 VanDerWaalsContact O-N 3.09Å; L675-A677 VanDerWaalsContact C-N 3.33Å; L675-A677 PolarHBondContact O-N 2.78Å; A677-A681 WeakPolarHBondContact O-CB 3.15Å; A677-A681 PolarHBondContact O-N 2.87Å; A677-A681 VanDerWaalsContact O-N 3.09Å
678	R	95.1	Very high	91.3	Very high	77 Å²	77	56.2 Å²	56.2	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-45.1	175.9	-69.3	-71.5	178.2	138.8	6.2	112.6	L645 L656 E658 D664 Q674 L675 E676 A681 K682	L645-R678 HydrophobicContact CD1-CB 4.04Å; L645-R678 HydrophobicContact CD2-CB 4.23Å; L656-R678 HydrophobicContact CD2-CG 4.18Å; E658-R678 WeakPolarHBondContact OE1-CD 3.46Å; E658-R678 IonicContact OE1-CZ 3.46Å; E658-R678 IonicContact OE1-NE 3.48Å; E658-R678 IonicContact OE1-NH1 3.55Å; E658-R678 PolarHBondContact OE1-NH1 2.89Å; D664-R678 IonicContact OD1-NH2 3.07Å; D664-R678 IonicContact OD2-CZ 3.2Å; D664-R678 IonicContact OD2-NH1 3.3Å; D664-R678 IonicContact OD2-NH2 2.67Å; D664-R678 PolarHBondContact OD2-NH2 2.95Å; Q674-R678 VanDerWaalsContact O-CG 3.25Å; Q674-R678 WeakPolarHBondContact O-CG 3.42Å; Q674-R678 PolarHBondContact O-N 3.08Å; L675-R678 PolarHBondContact O-N 3.22Å; E676-R678 VanDerWaalsContact C-N 3.28Å; E676-R678 PolarHBondContact O-N 3.07Å; R678-A681 PolarHBondContact O-N 3.33Å; R678-K682 WeakPolarHBondContact O-CB 3.49Å; R678-K682 PolarHBondContact O-N 2.96Å
679	I	95.4	Very high	89.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-43.3	-178.9	-64.2	161.7	0	0	0	110.5	I592 F594 L614 L618 I621 M625 V627 L645 L675 E676 K682 A683	I592-I679 HydrophobicContact CD1-CG2 3.62Å; I592-I679 HydrophobicContact CG1-CG2 4.17Å; F594-I679 HydrophobicContact CE1-CD1 4.33Å; L614-I679 HydrophobicContact CD2-CD1 4.44Å; L618-I679 HydrophobicContact CD1-CB 4.22Å; L618-I679 HydrophobicContact CD1-CD1 3.66Å; L618-I679 HydrophobicContact CD1-CG2 4.03Å; I621-I679 HydrophobicContact CD1-CG2 3.93Å; M625-I679 HydrophobicContact CE-CG2 4.5Å; M625-I679 HydrophobicContact SD-CG2 3.9Å; V627-I679 HydrophobicContact CG1-CD1 3.99Å; V627-I679 HydrophobicContact CG1-CG1 4.45Å; V627-I679 HydrophobicContact CG2-CD1 4.34Å; V627-I679 HydrophobicContact CG2-CG1 4.21Å; L645-I679 HydrophobicContact CD2-CG1 3.91Å; L675-I679 HydrophobicContact CB-CD1 4.4Å; L675-I679 WeakPolarHBondContact O-CB 3.47Å; L675-I679 WeakPolarHBondContact O-CD1 3.33Å; L675-I679 WeakPolarHBondContact O-CG1 3.42Å; L675-I679 PolarHBondContact O-N 3.48Å; E676-I679 PolarHBondContact O-N 2.57Å; I679-K682 PolarHBondContact O-N 3.3Å; I679-A683 WeakPolarHBondContact O-CB 3.27Å; I679-A683 PolarHBondContact O-N 3.18Å
680	R	95.2	Very high	87.7	Confident	80 Å²	80	58.2 Å²	58.2	30%	0.302	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-46.4	175.5	-75.4	-174.3	-178.7	-68.9	-5.1	112.3	R617 L618 D620 I621 E676 K682 A683 S684	R617-R680 PolarHBondContact O-NH2 3.44Å; L618-R680 HydrophobicContact CD2-CG 4.09Å; D620-R680 IonicContact OD1-CZ 2.65Å; D620-R680 IonicContact OD1-NH1 2.72Å; D620-R680 PolarHBondContact OD1-NH1 3.14Å; D620-R680 IonicContact OD1-NH2 3.5Å; D620-R680 PolarHBondContact OD1-NH2 3.18Å; D620-R680 IonicContact OD2-CZ 3.74Å; D620-R680 IonicContact OD2-NH1 2.9Å; D620-R680 PolarHBondContact OD2-NH1 3.4Å; D620-R680 IonicContact OD2-NH2 3.44Å; I621-R680 HydrophobicContact CD1-CG 3.81Å; E676-R680 HydrophobicContact CG-CG 4.31Å; E676-R680 WeakPolarHBondContact O-CB 3.32Å; E676-R680 WeakPolarHBondContact O-CG 3.09Å; E676-R680 PolarHBondContact O-N 2.92Å; E676-R680 IonicContact OE1-CZ 2.76Å; E676-R680 VanDerWaalsContact OE1-CZ 3.3Å; E676-R680 IonicContact OE1-NE 3.84Å; E676-R680 PolarHBondContact OE1-NE 2.88Å; E676-R680 IonicContact OE1-NH2 2.69Å; E676-R680 PolarHBondContact OE1-NH2 2.78Å; R680-K682 VanDerWaalsContact C-N 3.28Å; R680-K682 PolarHBondContact O-N 3.44Å; R680-A683 WeakPolarHBondContact O-CB 3.23Å; R680-A683 PolarHBondContact O-N 3.15Å; R680-S684 PolarHBondContact O-N 3.32Å; R680-S684 VanDerWaalsContact O-N 3.15Å; R680-S684 PolarHBondContact O-OG 2.87Å
681	A	93.8	Very high	85.1	Confident	51 Å²	51	64.3 Å²	64.3	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-39.4	175.2	0	0	0	0	0	112.1	A677 R678 Q685	A677-A681 WeakPolarHBondContact O-CB 3.15Å; A677-A681 PolarHBondContact O-N 2.87Å; A677-A681 VanDerWaalsContact O-N 3.09Å; R678-A681 PolarHBondContact O-N 3.33Å; A681-Q685 WeakPolarHBondContact O-CG 3.4Å; A681-Q685 PolarHBondContact O-N 3.43Å
682	K	92.9	Very high	82.2	Confident	21 Å²	21	71.1 Å²	71.1	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-35.1	176.8	-170.8	59.5	172.5	-179.2	0	112.8	M625 T644 D659 R678 I679 R680 L686	M625-K682 HydrophobicContact SD-CG 4.5Å; T644-K682 HydrophobicContact CG2-CD 4.42Å; T644-K682 VanDerWaalsContact CG2-CE 3.48Å; T644-K682 HydrophobicContact CG2-CG 4.04Å; D659-K682 WeakPolarHBondContact OD1-CE 3.42Å; D659-K682 IonicContact OD1-NZ 3.12Å; D659-K682 PolarHBondContact OD1-NZ 3.42Å; D659-K682 IonicContact OD2-NZ 3.65Å; D659-K682 PolarHBondContact OD2-NZ 2.77Å; R678-K682 WeakPolarHBondContact O-CB 3.49Å; R678-K682 PolarHBondContact O-N 2.96Å; I679-K682 PolarHBondContact O-N 3.3Å; R680-K682 VanDerWaalsContact C-N 3.28Å; R680-K682 PolarHBondContact O-N 3.44Å; K682-L686 HydrophobicContact CD-CD1 4.5Å; K682-L686 HydrophobicContact CG-CD1 4.12Å; K682-L686 WeakPolarHBondContact O-CB 3.35Å; K682-L686 VanDerWaalsContact O-CG 3.31Å; K682-L686 WeakPolarHBondContact O-CG 3.5Å; K682-L686 PolarHBondContact O-N 3.29Å; K682-L686 VanDerWaalsContact O-N 3.1Å
683	A	91	Very high	79.1	Confident	7 Å²	7	75.8 Å²	75.8	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-50.7	174.7	0	0	0	0	0	111.3	I621 M625 I679 R680 Q685 L686 D687	I621-A683 HydrophobicContact CD1-CB 4.38Å; I621-A683 HydrophobicContact CG2-CB 3.93Å; M625-A683 HydrophobicContact CE-CB 3.71Å; I679-A683 WeakPolarHBondContact O-CB 3.27Å; I679-A683 PolarHBondContact O-N 3.18Å; R680-A683 WeakPolarHBondContact O-CB 3.23Å; R680-A683 PolarHBondContact O-N 3.15Å; A683-Q685 VanDerWaalsContact C-N 3.34Å; A683-Q685 PolarHBondContact O-N 2.87Å; A683-L686 PolarHBondContact O-N 3.21Å; A683-L686 VanDerWaalsContact O-N 3.08Å; A683-D687 PolarHBondContact O-N 3.24Å
684	S	90.2	Very high	76.1	Confident	72 Å²	72	77.3 Å²	77.3	50%	0.503	40%	0.402	S	S	.	.	H	α-helix	trans	-57.2	-44.2	178.4	-55.2	0	0	0	0	112.6	R680 L686 D687 E688	R680-S684 PolarHBondContact O-N 3.32Å; R680-S684 VanDerWaalsContact O-N 3.15Å; R680-S684 PolarHBondContact O-OG 2.87Å; S684-L686 VanDerWaalsContact C-N 3.34Å; S684-L686 PolarHBondContact O-N 3.35Å; S684-D687 PolarHBondContact O-N 2.93Å; S684-E688 WeakPolarHBondContact O-CG 3.29Å; S684-E688 PolarHBondContact O-N 3.33Å
685	Q	87.8	Confident	73.1	Confident	114 Å²	114	83.1 Å²	83.1	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-40.2	175.9	-69.5	170.7	5.6	0	0	112.9	A681 A683 A689	A681-Q685 WeakPolarHBondContact O-CG 3.4Å; A681-Q685 PolarHBondContact O-N 3.43Å; A683-Q685 VanDerWaalsContact C-N 3.34Å; A683-Q685 PolarHBondContact O-N 2.87Å; Q685-A689 VanDerWaalsContact O-CB 3.31Å; Q685-A689 WeakPolarHBondContact O-CB 3.21Å; Q685-A689 PolarHBondContact O-N 3.28Å; Q685-A689 VanDerWaalsContact O-N 3.11Å
686	L	84.7	Confident	70.2	Confident	37 Å²	37	91.7 Å²	91.7	19%	0.194	47%	0.469	C	S	.	.	H	α-helix	trans	-75.1	-31.5	-179.2	-73.6	172.8	0	0	0	112.8	T623 M625 T644 K682 A683 S684 R690	T623-L686 HydrophobicContact CG2-CB 3.76Å; T623-L686 HydrophobicContact CG2-CD1 4.36Å; M625-L686 HydrophobicContact CB-CD1 4.27Å; M625-L686 HydrophobicContact CE-CD1 4.16Å; T644-L686 HydrophobicContact CG2-CD1 4.16Å; K682-L686 HydrophobicContact CD-CD1 4.5Å; K682-L686 HydrophobicContact CG-CD1 4.12Å; K682-L686 WeakPolarHBondContact O-CB 3.35Å; K682-L686 VanDerWaalsContact O-CG 3.31Å; K682-L686 WeakPolarHBondContact O-CG 3.5Å; K682-L686 PolarHBondContact O-N 3.29Å; K682-L686 VanDerWaalsContact O-N 3.1Å; A683-L686 PolarHBondContact O-N 3.21Å; A683-L686 VanDerWaalsContact O-N 3.08Å; S684-L686 VanDerWaalsContact C-N 3.34Å; S684-L686 PolarHBondContact O-N 3.35Å; L686-R690 WeakPolarHBondContact O-CB 3.45Å; L686-R690 WeakPolarHBondContact O-CD 3.28Å; L686-R690 WeakPolarHBondContact O-CG 3.45Å; L686-R690 PolarHBondContact O-N 3.25Å
687	D	75.3	Confident	67.3	Low	74 Å²	74	97 Å²	97	40%	0.396	50%	0.503	S	S	.	.	H	α-helix	trans	-74	-41.6	175.3	-75.1	-5.8	0	0	0	111.3	T623 A683 S684 R690 R691	T623-D687 WeakPolarHBondContact CB-OD1 3.35Å; T623-D687 WeakPolarHBondContact CG2-OD1 3.39Å; T623-D687 PolarHBondContact OG1-OD1 3.35Å; T623-D687 PolarHBondContact OG1-OD2 3.05Å; A683-D687 PolarHBondContact O-N 3.24Å; S684-D687 PolarHBondContact O-N 2.93Å; D687-R690 CarbonylContact O-C 3.39Å; D687-R690 PolarHBondContact O-N 3.42Å; D687-R691 PolarHBondContact O-N 3.29Å; D687-R691 VanDerWaalsContact O-N 3.17Å
688	E	62.9	Low	64.5	Low	136 Å²	136	103.1 Å²	103.1	64%	0.636	52%	0.52	S	S	*	.	H	α-helix	trans	-59.7	-47	172.5	-75.2	-176.8	164.6	0	0	111.7	S684 R690 R691	S684-E688 WeakPolarHBondContact O-CG 3.29Å; S684-E688 PolarHBondContact O-N 3.33Å; E688-R690 PolarHBondContact O-N 3.47Å; E688-R690 VanDerWaalsContact O-N 3.1Å; E688-R691 WeakPolarHBondContact O-CB 3.44Å; E688-R691 PolarHBondContact O-N 2.87Å; E688-R691 VanDerWaalsContact O-N 3.1Å
689	A	58.8	Low	61.8	Low	86 Å²	86	112.6 Å²	112.6	71%	0.711	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-7.1	175.2	0	0	0	0	0	114.4	Q685	Q685-A689 VanDerWaalsContact O-CB 3.31Å; Q685-A689 WeakPolarHBondContact O-CB 3.21Å; Q685-A689 PolarHBondContact O-N 3.28Å; Q685-A689 VanDerWaalsContact O-N 3.11Å
690	R	55.1	Low	60.1	Low	133 Å²	133	118.3 Å²	118.3	50%	0.502	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.9	3.4	175.1	-74.4	172.1	176.7	153.7	-1.4	113.3	P624 L686 D687 E688 I692	P624-R690 PolarHBondContact O-NH1 2.83Å; L686-R690 WeakPolarHBondContact O-CB 3.45Å; L686-R690 WeakPolarHBondContact O-CD 3.28Å; L686-R690 WeakPolarHBondContact O-CG 3.45Å; L686-R690 PolarHBondContact O-N 3.25Å; D687-R690 CarbonylContact O-C 3.39Å; D687-R690 PolarHBondContact O-N 3.42Å; E688-R690 PolarHBondContact O-N 3.47Å; E688-R690 VanDerWaalsContact O-N 3.1Å; R690-I692 PolarHBondContact O-N 3.23Å
691	R	39	Very low	58.3	Low	204 Å²	204	120.3 Å²	120.3	77%	0.77	61%	0.607	S	S	*	*			trans	-67.8	105.7	168.2	-64.5	-179.1	82.3	143.4	2.5	108.6	D687 E688 D693	D687-R691 PolarHBondContact O-N 3.29Å; D687-R691 VanDerWaalsContact O-N 3.17Å; E688-R691 WeakPolarHBondContact O-CB 3.44Å; E688-R691 PolarHBondContact O-N 2.87Å; E688-R691 VanDerWaalsContact O-N 3.1Å; R691-D693 PolarHBondContact O-N 3.26Å
692	I	31.9	Very low	56.3	Low	148 Å²	148	124.1 Å²	124.1	76%	0.759	62%	0.618	S	S	*	*			trans	-55.6	133.3	160.8	-62	172	0	0	0	106.8	R690 V694	R690-I692 PolarHBondContact O-N 3.23Å; I692-V694 VanDerWaalsContact C-N 3.31Å; I692-V694 PolarHBondContact O-N 3.3Å
693	D	30.8	Very low	54.2	Low	142 Å²	142	130.2 Å²	130.2	76%	0.759	65%	0.649	S	S	*	*			trans	-73.4	85.5	-178.7	-168.7	18.8	0	0	0	110.3	R691 Q695	R691-D693 PolarHBondContact O-N 3.26Å; D693-Q695 PolarHBondContact O-N 3.08Å; D693-Q695 VanDerWaalsContact O-N 3.17Å
694	V	34.5	Very low	51.9	Low	112 Å²	112	137.9 Å²	137.9	68%	0.679	69%	0.686	S	S	*	*			trans	-80.5	94	177.8	-178.5	0	0	0	0	108.3	I692 Q696	I692-V694 VanDerWaalsContact C-N 3.31Å; I692-V694 PolarHBondContact O-N 3.3Å; V694-Q696 PolarHBondContact O-N 3.24Å
695	Q	31.6	Very low	49.3	Very low	164 Å²	164	142.3 Å²	142.3	77%	0.766	70%	0.698	S	S	*	*			trans	-55.5	113.1	163.9	-68.9	-171.3	-7.2	0	0	108.9	D693 V697	D693-Q695 PolarHBondContact O-N 3.08Å; D693-Q695 VanDerWaalsContact O-N 3.17Å; Q695-V697 PolarHBondContact O-N 3.05Å; Q695-V697 VanDerWaalsContact O-N 3.14Å
696	Q	34.4	Very low	46.5	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	71%	0.71	S	S	*	*			trans	-69.8	109.7	169.9	-71.3	-170	-17.9	0	0	107.9	V694 E698	V694-Q696 PolarHBondContact O-N 3.24Å; Q696-E698 PolarHBondContact O-N 3.43Å
697	V	37.1	Very low	43.6	Very low	136 Å²	136	152.5 Å²	152.5	82%	0.824	75%	0.749	S	S	*	*			trans	-63.4	123.3	164.3	-174.5	0	0	0	0	106.9	Q695	Q695-V697 PolarHBondContact O-N 3.05Å; Q695-V697 VanDerWaalsContact O-N 3.14Å
698	E	37.1	Very low	41	Very low	190 Å²	190	159.1 Å²	159.1	89%	0.888	78%	0.779	S	S	*	*			trans	-60.5	153.1	174.5	-66.4	-172.5	128.3	0	0	110.7	Q696	Q696-E698 PolarHBondContact O-N 3.43Å
699	K	38.4	Very low	39	Very low	277 Å²	277	161.2 Å²	161.2	100%	1.204	79%	0.792	S	S	*	*			trans	-108.1	0	-157.6	-155.4	-171.3	-174.3	-172.5	0	113.9

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