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tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A

Catalytic subunit of tRNA (adenine-N(1)-)-methyltransferase, which catalyzes the formation of N(1)-methyladenine at position 58 (m1A58) in initiator methionyl-tRNA.

AlphaFold DB , UniProt , Accession A0A077ZEH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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	40.2	Very low	48.6	Very low	242 Å²	242	120.6 Å²	120.6	100%	1.192	62%	0.623	S	S	*	*				0	98.5	0	-150.1	175.9	73.3	0	0	104.1
2	L	41.9	Very low	52	Low	100 Å²	100	113.5 Å²	113.5	52%	0.524	60%	0.601	S	S	.	*			trans	-71.7	142.7	-177.8	-68.5	163.5	0	0	0	107.7	E6 Q7	L2-E6 HydrophobicContact CB-CB 4.31Å; L2-E6 HydrophobicContact CD2-CB 4.48Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.35Å; L2-Q7 PolarHBondContact O-OE1 3.4Å
3	D	46.5	Very low	55.4	Low	112 Å²	112	108.2 Å²	108.2	60%	0.599	57%	0.573	S	S	*	*			trans	-62.7	147.6	175.8	-169.1	-2.2	0	0	0	109.4	A5 E6 Q7	D3-A5 PolarHBondContact O-N 2.76Å; D3-E6 PolarHBondContact O-N 2.99Å; D3-Q7 PolarHBondContact O-N 3.37Å
4	E	46.7	Very low	58.3	Low	163 Å²	163	100.5 Å²	100.5	76%	0.762	53%	0.532	S	S	*	.	H	α-helix	trans	-56.3	-28.8	-176.6	-71.1	-175.4	161.7	0	0	111.8	Q8	E4-Q8 WeakPolarHBondContact O-CG 3.44Å; E4-Q8 PolarHBondContact O-N 3Å
5	A	44.8	Very low	60.7	Low	63 Å²	63	97.5 Å²	97.5	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-70.8	-35.7	174.1	0	0	0	0	0	113.7	D3 N9	D3-A5 PolarHBondContact O-N 2.76Å; A5-N9 PolarHBondContact O-N 3.38Å
6	E	40.2	Very low	62.9	Low	108 Å²	108	97.3 Å²	97.3	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-73.1	-35.6	173.4	-73.8	-175.8	149.4	0	0	110.9	L2 D3 Q8 N9 V10	L2-E6 HydrophobicContact CB-CB 4.31Å; L2-E6 HydrophobicContact CD2-CB 4.48Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.35Å; D3-E6 PolarHBondContact O-N 2.99Å; E6-Q8 VanDerWaalsContact C-N 3.34Å; E6-Q8 PolarHBondContact O-N 3.08Å; E6-N9 WeakPolarHBondContact O-CB 3.41Å; E6-N9 PolarHBondContact O-N 3Å; E6-N9 VanDerWaalsContact O-N 3.16Å; E6-V10 WeakPolarHBondContact O-CG2 3.35Å; E6-V10 PolarHBondContact O-N 3.3Å
7	Q	43.4	Very low	64.7	Low	111 Å²	111	94 Å²	94	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-40.2	174.1	-134.9	105.9	18.2	0	0	111.9	L2 D3 N9 V10 D11	L2-Q7 PolarHBondContact O-OE1 3.4Å; D3-Q7 PolarHBondContact O-N 3.37Å; Q7-N9 VanDerWaalsContact C-N 3.27Å; Q7-N9 PolarHBondContact O-N 3.25Å; Q7-V10 PolarHBondContact O-N 2.95Å; Q7-D11 PolarHBondContact O-N 3.22Å
8	Q	44.2	Very low	66.3	Low	154 Å²	154	92.4 Å²	92.4	72%	0.72	49%	0.493	S	S	*	.	H	α-helix	trans	-64.4	-30.6	174	-80	179.6	3.4	0	0	112.9	E4 E6	E4-Q8 WeakPolarHBondContact O-CG 3.44Å; E4-Q8 PolarHBondContact O-N 3Å; E6-Q8 VanDerWaalsContact C-N 3.34Å; E6-Q8 PolarHBondContact O-N 3.08Å
9	N	50.1	Low	67.9	Low	121 Å²	121	88.1 Å²	88.1	65%	0.647	47%	0.471	S	S	*	.	H	α-helix	trans	-74.1	-28	178.8	-152.3	5.9	0	0	0	112.2	A5 E6 Q7	A5-N9 PolarHBondContact O-N 3.38Å; E6-N9 WeakPolarHBondContact O-CB 3.41Å; E6-N9 PolarHBondContact O-N 3Å; E6-N9 VanDerWaalsContact O-N 3.16Å; Q7-N9 VanDerWaalsContact C-N 3.27Å; Q7-N9 PolarHBondContact O-N 3.25Å
10	V	61.4	Low	69.4	Low	71 Å²	71	83.7 Å²	83.7	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-74.1	-35.4	176.1	-179.7	0	0	0	0	111.8	E6 Q7 G12 L13	E6-V10 WeakPolarHBondContact O-CG2 3.35Å; E6-V10 PolarHBondContact O-N 3.3Å; Q7-V10 PolarHBondContact O-N 2.95Å; V10-G12 PolarHBondContact O-N 2.98Å; V10-G12 VanDerWaalsContact O-N 3.16Å; V10-L13 PolarHBondContact O-N 3.47Å
11	D	75.3	Confident	70.7	Confident	82 Å²	82	79.7 Å²	79.7	44%	0.439	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.3	-179.3	-165.6	47.7	0	0	0	113.5	Q7 R72	Q7-D11 PolarHBondContact O-N 3.22Å; D11-R72 VanDerWaalsContact CG-NH1 3.34Å; D11-R72 VanDerWaalsContact CG-NH2 3.32Å; D11-R72 PolarHBondContact O-NH1 3.19Å; D11-R72 IonicContact OD1-CZ 3.77Å; D11-R72 IonicContact OD1-NH1 2.98Å; D11-R72 PolarHBondContact OD1-NH1 3.3Å; D11-R72 IonicContact OD1-NH2 3.68Å; D11-R72 PolarHBondContact OD1-NH2 3.28Å; D11-R72 IonicContact OD2-CZ 3.85Å; D11-R72 IonicContact OD2-NH1 2.71Å; D11-R72 PolarHBondContact OD2-NH1 3.48Å; D11-R72 IonicContact OD2-NH2 2.88Å; D11-R72 PolarHBondContact OD2-NH2 2.94Å
12	G	89.8	Confident	73.4	Confident	35 Å²	35	68.2 Å²	68.2	36%	0.361	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.4	175.1	0	0	0	0	0	114.8	V10 P56 Y57	V10-G12 PolarHBondContact O-N 2.98Å; V10-G12 VanDerWaalsContact O-N 3.16Å; G12-P56 VanDerWaalsContact O-CA 3.29Å; G12-P56 WeakPolarHBondContact O-CA 3.44Å; G12-Y57 WeakPolarHBondContact O-CD2 3.4Å; G12-Y57 PolarHBondContact O-N 3.22Å; G12-Y57 VanDerWaalsContact O-N 3.09Å
13	L	95.3	Very high	75.9	Confident	45 Å²	45	66.8 Å²	66.8	24%	0.236	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-107	143.6	-173	-59.4	179.4	0	0	0	111.7	V10 Q15 K55 P56	V10-L13 PolarHBondContact O-N 3.47Å; L13-Q15 PolarHBondContact O-N 2.99Å; L13-K55 WeakPolarHBondContact CA-O 3.46Å; L13-P56 HydrophobicContact CD2-CB 4.17Å
14	I	96.4	Very high	78.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.			trans	-70.6	126.5	174.3	-62.1	159.8	0	0	0	109.6	V20 V34 L52 N54 K55 Y57 F61 V70	I14-V20 HydrophobicContact CG2-CG1 4.04Å; I14-V34 HydrophobicContact CG2-CB 4.48Å; I14-V34 HydrophobicContact CG2-CG1 4.29Å; I14-V34 HydrophobicContact CG2-CG2 3.79Å; I14-L52 WeakPolarHBondContact CB-O 3.42Å; I14-L52 HydrophobicContact CD1-CB 4.34Å; I14-L52 HydrophobicContact CG2-CB 4.2Å; I14-N54 PolarHBondContact O-N 3.27Å; I14-K55 WeakPolarHBondContact CG1-O 3.47Å; I14-K55 PolarHBondContact N-O 3.16Å; I14-Y57 HydrophobicContact CD1-CD1 4.36Å; I14-Y57 HydrophobicContact CG1-CD1 3.71Å; I14-Y57 HydrophobicContact CG1-CD2 4.35Å; I14-Y57 HydrophobicContact CG1-CE1 3.57Å; I14-Y57 HydrophobicContact CG1-CE2 4.18Å; I14-Y57 HydrophobicContact CG1-CG 4.13Å; I14-F61 HydrophobicContact CD1-CE2 4.35Å; I14-F61 HydrophobicContact CD1-CZ 4.29Å; I14-V70 HydrophobicContact CD1-CB 4.09Å; I14-V70 HydrophobicContact CD1-CG1 3.67Å; I14-V70 HydrophobicContact CG1-CG1 4.44Å
15	Q	94.8	Very high	80.1	Confident	55 Å²	55	56 Å²	56	26%	0.257	31%	0.311	S	S	.	.			trans	-110.2	158.8	177.3	-60.1	-57.7	-39.5	0	0	112.8	L13 E18 N54	L13-Q15 PolarHBondContact O-N 2.99Å; Q15-E18 HydrophobicContact CB-CG 3.96Å; Q15-E18 PolarHBondContact N-OE2 2.81Å; Q15-E18 PolarHBondContact O-N 2.96Å; Q15-N54 PolarHBondContact NE2-OD1 2.88Å; Q15-N54 PolarHBondContact OE1-OD1 3.28Å
16	E	95	Very high	81.8	Confident	95 Å²	95	59.5 Å²	59.5	44%	0.444	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	136.5	171.7	-178.2	165.9	-164.2	0	0	110.4	E18 R36 I53	E16-E18 VanDerWaalsContact C-N 3.32Å; E16-R36 WeakPolarHBondContact OE1-CB 3.49Å; E16-R36 PolarHBondContact OE1-N 2.93Å; E16-R36 VanDerWaalsContact OE1-N 3.07Å; E16-R36 IonicContact OE2-CZ 3.69Å; E16-R36 IonicContact OE2-NE 3.15Å; E16-R36 PolarHBondContact OE2-NE 2.9Å; E16-R36 VanDerWaalsContact OE2-NE 3.15Å; E16-R36 IonicContact OE2-NH2 3.3Å; E16-R36 PolarHBondContact OE2-NH2 2.7Å; E16-I53 HydrophobicContact CB-CD1 4.39Å
17	G	93.9	Very high	83.7	Confident	41 Å²	41	62.9 Å²	62.9	42%	0.423	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-16.7	-175.7	0	0	0	0	0	114.7	V34	G17-V34 WeakPolarHBondContact CA-O 3.4Å; G17-V34 PolarHBondContact N-O 3.45Å
18	E	94.4	Very high	85.9	Confident	65 Å²	65	60.2 Å²	60.2	30%	0.304	32%	0.315	S	S	.	.			trans	-72.6	145.1	178.9	-64.9	-171.5	138.8	0	0	112	Q15 E16 V20 T33 V34 Y57	Q15-E18 HydrophobicContact CB-CG 3.96Å; Q15-E18 PolarHBondContact N-OE2 2.81Å; Q15-E18 PolarHBondContact O-N 2.96Å; E16-E18 VanDerWaalsContact C-N 3.32Å; E18-V20 HydrophobicContact CB-CG1 4.48Å; E18-T33 WeakPolarHBondContact O-CA 3.36Å; E18-V34 PolarHBondContact O-N 2.83Å; E18-Y57 PolarHBondContact OE2-OH 3.18Å
19	T	96.5	Very high	88.3	Confident	11 Å²	11	54 Å²	54	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.7	167.3	-62.6	0	0	0	0	109.3	A31 I32 F73 R152 H153	T19-A31 HydrophobicContact CG2-CB 4.13Å; T19-I32 CarbonylContact C-O 3.59Å; T19-I32 WeakPolarHBondContact CA-O 3.48Å; T19-F73 HydrophobicContact CG2-CD2 4.07Å; T19-F73 WeakPolarHBondContact O-CB 3.21Å; T19-R152 WeakPolarHBondContact OG1-CD 3.46Å; T19-H153 PolarHBondContact OG1-CD2 3.41Å; T19-H153 PolarHBondContact OG1-NE2 2.98Å
20	V	96.5	Very high	90.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.5	-178.6	-55.4	0	0	0	0	110.8	I14 E18 A31 I32 V34 Y57 V70	I14-V20 HydrophobicContact CG2-CG1 4.04Å; E18-V20 HydrophobicContact CB-CG1 4.48Å; V20-A31 WeakPolarHBondContact O-CA 3.32Å; V20-I32 HydrophobicContact CG2-CD1 4.12Å; V20-I32 HydrophobicContact CG2-CG1 3.59Å; V20-I32 PolarHBondContact N-O 2.96Å; V20-I32 PolarHBondContact O-N 3.39Å; V20-V34 HydrophobicContact CB-CG2 4.34Å; V20-V34 HydrophobicContact CG1-CG2 3.71Å; V20-V34 HydrophobicContact CG2-CG2 3.64Å; V20-Y57 HydrophobicContact CB-CE1 4.41Å; V20-Y57 HydrophobicContact CG1-CE1 3.77Å; V20-V70 HydrophobicContact CB-CG1 3.64Å; V20-V70 HydrophobicContact CG1-CG1 4.27Å; V20-V70 HydrophobicContact CG2-CG1 3.63Å
21	I	96.8	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.5	178.5	-53.6	-61.3	0	0	0	109.3	Y23 F30 A31 V70 L71 M77 T81	I21-Y23 PolarHBondContact O-N 3.41Å; I21-F30 CarbonylContact C-O 3.6Å; I21-F30 WeakPolarHBondContact CA-O 3.39Å; I21-A31 HydrophobicContact CD1-CB 3.96Å; I21-V70 WeakPolarHBondContact O-CA 3.37Å; I21-L71 HydrophobicContact CB-CB 4.26Å; I21-L71 PolarHBondContact N-O 3.2Å; I21-L71 PolarHBondContact O-N 3.42Å; I21-M77 HydrophobicContact CD1-CB 4.11Å; I21-M77 HydrophobicContact CG1-CB 3.82Å; I21-M77 HydrophobicContact CG2-CB 4.27Å; I21-T81 HydrophobicContact CD1-CG2 4.48Å
22	V	96.5	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	101.6	169.5	-176.3	0	0	0	0	108.4	V24 S29 F30 I32 F40 L47 V68 V70	V22-V24 HydrophobicContact CG1-CG2 4.06Å; V22-V24 PolarHBondContact O-N 3.12Å; V22-S29 VanDerWaalsContact O-CA 3.26Å; V22-S29 WeakPolarHBondContact O-CA 3.44Å; V22-F30 PolarHBondContact N-O 3.47Å; V22-F30 PolarHBondContact O-N 3Å; V22-I32 HydrophobicContact CG2-CD1 3.42Å; V22-I32 VanDerWaalsContact CG2-CD1 3.42Å; V22-I32 HydrophobicContact CG2-CG1 3.79Å; V22-I32 HydrophobicContact CG2-CG2 4.35Å; V22-F40 HydrophobicContact CB-CE1 4.32Å; V22-F40 HydrophobicContact CG1-CD1 4.42Å; V22-F40 HydrophobicContact CG1-CE1 4.17Å; V22-F40 HydrophobicContact CG2-CD1 4.25Å; V22-F40 HydrophobicContact CG2-CE1 4.38Å; V22-L47 HydrophobicContact CG1-CD2 4.26Å; V22-L47 HydrophobicContact CG2-CD2 3.95Å; V22-V68 HydrophobicContact CG1-CB 3.91Å; V22-V68 HydrophobicContact CG1-CG1 4.01Å; V22-V68 HydrophobicContact CG1-CG2 3.93Å; V22-V70 HydrophobicContact CG2-CG2 4.49Å
23	Y	95.8	Very high	93.4	Very high	70 Å²	70	46.4 Å²	46.4	28%	0.275	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	102.9	176.3	-173.7	-93.3	0	0	0	110.1	I21 Y26 S29 Y69 L71 M77	I21-Y23 PolarHBondContact O-N 3.41Å; Y23-Y26 WeakPolarHBondContact OH-CA 3.26Å; Y23-Y26 PolarHBondContact OH-N 2.82Å; Y23-S29 VanDerWaalsContact CD2-OG 3.31Å; Y23-S29 WeakPolarHBondContact CD2-OG 3.48Å; Y23-Y69 WeakPolarHBondContact CA-O 3.25Å; Y23-Y69 WeakPolarHBondContact CB-O 3.04Å; Y23-Y69 HydrophobicContact CD1-CD2 4.49Å; Y23-Y69 PolarHBondContact N-O 2.92Å; Y23-Y69 PolarHBondContact O-N 3.38Å; Y23-L71 HydrophobicContact CD2-CD1 4.08Å; Y23-L71 HydrophobicContact CG-CD1 3.99Å; Y23-M77 HydrophobicContact CD2-CE 4.24Å
24	V	93.4	Very high	93.5	Very high	24 Å²	24	44.2 Å²	44.2	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-36.7	178.7	-176.8	0	0	0	0	110.8	V22 Q28 F30 Y44 V68	V22-V24 HydrophobicContact CG1-CG2 4.06Å; V22-V24 PolarHBondContact O-N 3.12Å; V24-Q28 HydrophobicContact CB-CB 4.36Å; V24-Q28 HydrophobicContact CB-CG 4.32Å; V24-Q28 WeakPolarHBondContact CB-O 3.46Å; V24-Q28 PolarHBondContact N-O 3.37Å; V24-Q28 VanDerWaalsContact N-O 3.14Å; V24-F30 HydrophobicContact CG2-CD2 4.03Å; V24-F30 HydrophobicContact CG2-CE2 4.03Å; V24-Y44 HydrophobicContact CG1-CD2 3.23Å; V24-Y44 HydrophobicContact CG1-CE2 3.29Å; V24-V68 HydrophobicContact CB-CG1 4.45Å; V24-V68 HydrophobicContact CG2-CG1 3.92Å
25	G	87.7	Confident	93.6	Very high	24 Å²	24	49.5 Å²	49.5	25%	0.247	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-178	175.6	0	0	0	0	0	111.1	Q27 Q28	G25-Q27 PolarHBondContact O-N 3.35Å; G25-Q27 VanDerWaalsContact O-N 3.11Å; G25-Q28 PolarHBondContact N-O 2.72Å; G25-Q28 CarbonylContact O-C 3.56Å; G25-Q28 PolarHBondContact O-N 3.21Å; G25-Q28 VanDerWaalsContact O-N 3.09Å
26	Y	79.6	Confident	93.6	Very high	138 Å²	138	53.6 Å²	53.6	54%	0.541	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.1	-172.8	-175.2	-90.5	0	0	0	114.3	Y23 K289	Y23-Y26 WeakPolarHBondContact OH-CA 3.26Å; Y23-Y26 PolarHBondContact OH-N 2.82Å; Y26-K289 VanDerWaalsContact CD1-NZ 3.35Å; Y26-K289 PolarHBondContact OH-NZ 3.44Å; Y26-K289 VanDerWaalsContact OH-NZ 3.12Å
27	Q	81.6	Confident	93.6	Very high	179 Å²	179	55.1 Å²	55.1	84%	0.836	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.8	-178	-67.1	-175.7	-20.6	0	0	113.7	G25	G25-Q27 PolarHBondContact O-N 3.35Å; G25-Q27 VanDerWaalsContact O-N 3.11Å
28	Q	89.8	Confident	93.8	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112.9	-171.2	-171	171.6	49.2	0	0	110	V24 G25 F30	V24-Q28 HydrophobicContact CB-CB 4.36Å; V24-Q28 HydrophobicContact CB-CG 4.32Å; V24-Q28 WeakPolarHBondContact CB-O 3.46Å; V24-Q28 PolarHBondContact N-O 3.37Å; V24-Q28 VanDerWaalsContact N-O 3.14Å; G25-Q28 PolarHBondContact N-O 2.72Å; G25-Q28 CarbonylContact O-C 3.56Å; G25-Q28 PolarHBondContact O-N 3.21Å; G25-Q28 VanDerWaalsContact O-N 3.09Å; Q28-F30 HydrophobicContact CG-CD2 4.29Å; Q28-F30 HydrophobicContact CG-CE2 3.39Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å; Q28-F30 VanDerWaalsContact NE2-CZ 3.31Å
29	S	94.2	Very high	93.8	Very high	25 Å²	25	54.8 Å²	54.8	18%	0.175	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.4	172.3	-61.9	0	0	0	0	108.1	V22 Y23 T81	V22-S29 VanDerWaalsContact O-CA 3.26Å; V22-S29 WeakPolarHBondContact O-CA 3.44Å; Y23-S29 VanDerWaalsContact CD2-OG 3.31Å; Y23-S29 WeakPolarHBondContact CD2-OG 3.48Å; S29-T81 WeakPolarHBondContact O-CG2 3.22Å
30	F	95.5	Very high	93.8	Very high	63 Å²	63	56 Å²	56	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.3	-178.3	-58.3	-84.3	0	0	0	110	I21 V22 V24 Q28 I32 F40 H42	I21-F30 CarbonylContact C-O 3.6Å; I21-F30 WeakPolarHBondContact CA-O 3.39Å; V22-F30 PolarHBondContact N-O 3.47Å; V22-F30 PolarHBondContact O-N 3Å; V24-F30 HydrophobicContact CG2-CD2 4.03Å; V24-F30 HydrophobicContact CG2-CE2 4.03Å; Q28-F30 HydrophobicContact CG-CD2 4.29Å; Q28-F30 HydrophobicContact CG-CE2 3.39Å; Q28-F30 HydrophobicContact CG-CZ 3.59Å; Q28-F30 VanDerWaalsContact NE2-CZ 3.31Å; F30-I32 HydrophobicContact CB-CG2 4.49Å; F30-F40 HydrophobicContact CB-CE1 4.26Å; F30-F40 HydrophobicContact CB-CE2 4.34Å; F30-F40 HydrophobicContact CB-CZ 3.64Å; F30-F40 HydrophobicContact CD1-CZ 4.12Å; F30-F40 AromaticContact CD2-CE1 3.93Å; F30-F40 HydrophobicContact CD2-CE1 3.93Å; F30-F40 AromaticContact CD2-CZ 3.6Å; F30-F40 HydrophobicContact CD2-CZ 3.6Å; F30-F40 HydrophobicContact CE2-CZ 4.18Å; F30-F40 HydrophobicContact CG-CE1 4.25Å; F30-F40 HydrophobicContact CG-CE2 4.44Å; F30-F40 AromaticContact CG-CZ 3.54Å; F30-F40 HydrophobicContact CG-CZ 3.54Å; F30-H42 HydrophobicContact CE2-CB 4.18Å
31	A	96.3	Very high	93.7	Very high	30 Å²	30	61.5 Å²	61.5	25%	0.248	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130	165.6	0	0	0	0	0	108.8	T19 V20 I21 W78 T81	T19-A31 HydrophobicContact CG2-CB 4.13Å; V20-A31 WeakPolarHBondContact O-CA 3.32Å; I21-A31 HydrophobicContact CD1-CB 3.96Å; A31-W78 HydrophobicContact CB-CE3 3.87Å; A31-W78 HydrophobicContact CB-CZ3 3.59Å; A31-T81 WeakPolarHBondContact CB-OG1 3.37Å
32	I	96.1	Very high	93.4	Very high	16 Å²	16	62.6 Å²	62.6	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.9	175.5	67.4	171.3	0	0	0	109.4	T19 V20 V22 F30 F40 L52	T19-I32 CarbonylContact C-O 3.59Å; T19-I32 WeakPolarHBondContact CA-O 3.48Å; V20-I32 HydrophobicContact CG2-CD1 4.12Å; V20-I32 HydrophobicContact CG2-CG1 3.59Å; V20-I32 PolarHBondContact N-O 2.96Å; V20-I32 PolarHBondContact O-N 3.39Å; V22-I32 HydrophobicContact CG2-CD1 3.42Å; V22-I32 VanDerWaalsContact CG2-CD1 3.42Å; V22-I32 HydrophobicContact CG2-CG1 3.79Å; V22-I32 HydrophobicContact CG2-CG2 4.35Å; F30-I32 HydrophobicContact CB-CG2 4.49Å; I32-F40 HydrophobicContact CD1-CB 4.13Å; I32-F40 HydrophobicContact CD1-CG 4.31Å; I32-F40 HydrophobicContact CG2-CD1 4.35Å; I32-F40 HydrophobicContact CG2-CD2 3.52Å; I32-F40 HydrophobicContact CG2-CE1 4.48Å; I32-F40 HydrophobicContact CG2-CE2 3.67Å; I32-F40 HydrophobicContact CG2-CG 3.89Å; I32-F40 HydrophobicContact CG2-CZ 4.17Å; I32-L52 HydrophobicContact CD1-CD1 4.32Å
33	T	96.4	Very high	93	Very high	39 Å²	39	71.7 Å²	71.7	24%	0.239	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.5	168.8	-51	0	0	0	0	109.4	E18 Q35 H49 R152	E18-T33 WeakPolarHBondContact O-CA 3.36Å; T33-Q35 HydrophobicContact CG2-CG 4.37Å; T33-Q35 PolarHBondContact O-N 3.23Å; T33-H49 PolarHBondContact O-CE1 3.22Å; T33-H49 VanDerWaalsContact O-CE1 3.22Å; T33-H49 PolarHBondContact O-ND1 2.93Å; T33-R152 WeakPolarHBondContact OG1-CD 3.27Å
34	V	97	Very high	92.4	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.35	C	S	.	.			trans	-71.3	129	178.1	-178.3	0	0	0	0	108.8	I14 G17 E18 V20 H49 L52 I53	I14-V34 HydrophobicContact CG2-CB 4.48Å; I14-V34 HydrophobicContact CG2-CG1 4.29Å; I14-V34 HydrophobicContact CG2-CG2 3.79Å; G17-V34 WeakPolarHBondContact CA-O 3.4Å; G17-V34 PolarHBondContact N-O 3.45Å; E18-V34 PolarHBondContact O-N 2.83Å; V20-V34 HydrophobicContact CB-CG2 4.34Å; V20-V34 HydrophobicContact CG1-CG2 3.71Å; V20-V34 HydrophobicContact CG2-CG2 3.64Å; V34-H49 HydrophobicContact CG1-CB 4.41Å; V34-L52 HydrophobicContact CG2-CD1 4.34Å; V34-I53 HydrophobicContact CG1-CD1 4.34Å; V34-I53 HydrophobicContact CG1-CG1 3.71Å
35	Q	97.2	Very high	92.3	Very high	110 Å²	110	72.6 Å²	72.6	51%	0.514	35%	0.349	S	S	.	.			trans	-146.2	133.6	-174.6	-70.7	-178.1	-4.7	0	0	108.3	T33 N37 A38 H49	T33-Q35 HydrophobicContact CG2-CG 4.37Å; T33-Q35 PolarHBondContact O-N 3.23Å; Q35-N37 PolarHBondContact O-N 2.79Å; Q35-A38 HydrophobicContact CB-CB 3.8Å; Q35-A38 WeakPolarHBondContact O-CB 3.43Å; Q35-A38 PolarHBondContact O-N 3.31Å; Q35-H49 PolarHBondContact N-ND1 3.39Å; Q35-H49 VanDerWaalsContact N-ND1 3.18Å; Q35-H49 WeakPolarHBondContact O-CB 3.35Å; Q35-H49 PolarHBondContact O-ND1 3.16Å
36	R	95.3	Very high	92.6	Very high	142 Å²	142	73.6 Å²	73.6	54%	0.536	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	138.7	179.2	-171.1	176.6	-63	-99.6	-4.3	110.9	E16 A38 I53	E16-R36 WeakPolarHBondContact OE1-CB 3.49Å; E16-R36 PolarHBondContact OE1-N 2.93Å; E16-R36 VanDerWaalsContact OE1-N 3.07Å; E16-R36 IonicContact OE2-CZ 3.69Å; E16-R36 IonicContact OE2-NE 3.15Å; E16-R36 PolarHBondContact OE2-NE 2.9Å; E16-R36 VanDerWaalsContact OE2-NE 3.15Å; E16-R36 IonicContact OE2-NH2 3.3Å; E16-R36 PolarHBondContact OE2-NH2 2.7Å; R36-A38 PolarHBondContact O-N 3Å; R36-A38 VanDerWaalsContact O-N 3.11Å; R36-I53 HydrophobicContact CB-CD1 4.48Å
37	N	95.5	Very high	93.3	Very high	127 Å²	127	67 Å²	67	68%	0.679	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	4.7	-177.6	-52.1	-39.5	0	0	0	115.6	Q35 N50	Q35-N37 PolarHBondContact O-N 2.79Å; N37-N50 PolarHBondContact N-OD1 2.82Å; N37-N50 PolarHBondContact OD1-ND2 3.22Å
38	A	96.9	Very high	94	Very high	25 Å²	25	65.3 Å²	65.3	21%	0.207	31%	0.308	C	S	.	.			trans	-81.3	159.7	171.8	0	0	0	0	0	111.6	Q35 R36 H49	Q35-A38 HydrophobicContact CB-CB 3.8Å; Q35-A38 WeakPolarHBondContact O-CB 3.43Å; Q35-A38 PolarHBondContact O-N 3.31Å; R36-A38 PolarHBondContact O-N 3Å; R36-A38 VanDerWaalsContact O-N 3.11Å; A38-H49 HydrophobicContact CB-CB 4.43Å; A38-H49 WeakPolarHBondContact CB-ND1 3.44Å; A38-H49 WeakPolarHBondContact O-CB 3.3Å; A38-H49 PolarHBondContact O-N 2.8Å
39	T	95.7	Very high	94.3	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.454	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.4	175.5	65.2	0	0	0	0	109.6	M46 L47 R48	T39-M46 HydrophobicContact CG2-CG 4.22Å; T39-M46 HydrophobicContact CG2-SD 3.74Å; T39-L47 CarbonylContact C-O 3.59Å; T39-L47 WeakPolarHBondContact CA-O 3.47Å; T39-R48 HydrophobicContact CG2-CG 4.21Å
40	F	95.2	Very high	94.4	Very high	36 Å²	36	65.6 Å²	65.6	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.6	173.7	175.6	-111	0	0	0	109.4	V22 F30 I32 H42 L47	V22-F40 HydrophobicContact CB-CE1 4.32Å; V22-F40 HydrophobicContact CG1-CD1 4.42Å; V22-F40 HydrophobicContact CG1-CE1 4.17Å; V22-F40 HydrophobicContact CG2-CD1 4.25Å; V22-F40 HydrophobicContact CG2-CE1 4.38Å; F30-F40 HydrophobicContact CB-CE1 4.26Å; F30-F40 HydrophobicContact CB-CE2 4.34Å; F30-F40 HydrophobicContact CB-CZ 3.64Å; F30-F40 HydrophobicContact CD1-CZ 4.12Å; F30-F40 AromaticContact CD2-CE1 3.93Å; F30-F40 HydrophobicContact CD2-CE1 3.93Å; F30-F40 AromaticContact CD2-CZ 3.6Å; F30-F40 HydrophobicContact CD2-CZ 3.6Å; F30-F40 HydrophobicContact CE2-CZ 4.18Å; F30-F40 HydrophobicContact CG-CE1 4.25Å; F30-F40 HydrophobicContact CG-CE2 4.44Å; F30-F40 AromaticContact CG-CZ 3.54Å; F30-F40 HydrophobicContact CG-CZ 3.54Å; I32-F40 HydrophobicContact CD1-CB 4.13Å; I32-F40 HydrophobicContact CD1-CG 4.31Å; I32-F40 HydrophobicContact CG2-CD1 4.35Å; I32-F40 HydrophobicContact CG2-CD2 3.52Å; I32-F40 HydrophobicContact CG2-CE1 4.48Å; I32-F40 HydrophobicContact CG2-CE2 3.67Å; I32-F40 HydrophobicContact CG2-CG 3.89Å; I32-F40 HydrophobicContact CG2-CZ 4.17Å; F40-H42 HydrophobicContact CE1-CB 3.87Å; F40-H42 HydrophobicContact CZ-CB 4.22Å; F40-L47 HydrophobicContact CB-CB 4.41Å; F40-L47 PolarHBondContact N-O 3.08Å; F40-L47 PolarHBondContact O-N 2.68Å
41	Q	94.3	Very high	94.4	Very high	116 Å²	116	66.3 Å²	66.3	54%	0.542	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.2	-179.8	-65.2	-70.3	-7.4	0	0	110.2	M46	Q41-M46 PolarHBondContact NE2-SD 2.83Å
42	H	91	Very high	94.4	Very high	23 Å²	23	64.9 Å²	64.9	11%	0.106	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-177.9	171.7	68.6	106.4	0	0	0	110.6	F30 F40 Y44 G45 C63 V68	F30-H42 HydrophobicContact CE2-CB 4.18Å; F40-H42 HydrophobicContact CE1-CB 3.87Å; F40-H42 HydrophobicContact CZ-CB 4.22Å; H42-Y44 AromaticContact ND1-CD2 3.82Å; H42-Y44 PolarHBondContact ND1-N 3.05Å; H42-Y44 PolarHBondContact O-N 2.88Å; H42-G45 PolarHBondContact CD2-O 2.69Å; H42-G45 PolarHBondContact N-O 3.09Å; H42-G45 VanDerWaalsContact N-O 3.11Å; H42-G45 PolarHBondContact O-N 2.8Å; H42-C63 PolarHBondContact NE2-SG 2.84Å; H42-C63 VanDerWaalsContact NE2-SG 3.41Å; H42-V68 WeakPolarHBondContact CE1-CG1 3.4Å
43	R	87.9	Confident	94.4	Very high	190 Å²	190	65 Å²	65	72%	0.717	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30	-174.3	-173.5	-177.6	-67.7	179.1	0.3	114.3
44	Y	84.6	Confident	94.3	Very high	100 Å²	100	67.6 Å²	67.6	39%	0.392	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18	-177.7	-55.5	-76.3	0	0	0	112.7	V24 H42 C63 K65	V24-Y44 HydrophobicContact CG1-CD2 3.23Å; V24-Y44 HydrophobicContact CG1-CE2 3.29Å; H42-Y44 AromaticContact ND1-CD2 3.82Å; H42-Y44 PolarHBondContact ND1-N 3.05Å; H42-Y44 PolarHBondContact O-N 2.88Å; Y44-C63 VanDerWaalsContact O-CB 3.3Å; Y44-C63 WeakPolarHBondContact O-CB 3.16Å; Y44-K65 CarbonylContact C-O 3.15Å; Y44-K65 WeakPolarHBondContact CA-O 3.34Å; Y44-K65 WeakPolarHBondContact CB-O 3.36Å; Y44-K65 CarbonylContact O-C 3.56Å; Y44-K65 VanDerWaalsContact O-CA 3.22Å; Y44-K65 WeakPolarHBondContact O-CA 3.31Å; Y44-K65 WeakPolarHBondContact O-CB 3.23Å; Y44-K65 PolarHBondContact O-N 2.88Å
45	G	90.4	Very high	94.3	Very high	13 Å²	13	72.4 Å²	72.4	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-163.8	171.6	0	0	0	0	0	114	H42	H42-G45 PolarHBondContact CD2-O 2.69Å; H42-G45 PolarHBondContact N-O 3.09Å; H42-G45 VanDerWaalsContact N-O 3.11Å; H42-G45 PolarHBondContact O-N 2.8Å
46	M	93.9	Very high	94.2	Very high	45 Å²	45	70.2 Å²	70.2	22%	0.222	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.6	-175.7	-173.4	174.4	61	0	0	111	T39 Q41 R48 C63 T64	T39-M46 HydrophobicContact CG2-CG 4.22Å; T39-M46 HydrophobicContact CG2-SD 3.74Å; Q41-M46 PolarHBondContact NE2-SD 2.83Å; M46-R48 HydrophobicContact CE-CG 4.18Å; M46-C63 WeakPolarHBondContact O-CA 3.48Å; M46-T64 PolarHBondContact N-OG1 2.86Å; M46-T64 VanDerWaalsContact N-OG1 3.15Å
47	L	94.8	Very high	94.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.3	167.7	-176.9	67.5	0	0	0	108.7	V22 T39 F40 L52 F61 V68 V70	V22-L47 HydrophobicContact CG1-CD2 4.26Å; V22-L47 HydrophobicContact CG2-CD2 3.95Å; T39-L47 CarbonylContact C-O 3.59Å; T39-L47 WeakPolarHBondContact CA-O 3.47Å; F40-L47 HydrophobicContact CB-CB 4.41Å; F40-L47 PolarHBondContact N-O 3.08Å; F40-L47 PolarHBondContact O-N 2.68Å; L47-L52 HydrophobicContact CD1-CD2 3.99Å; L47-L52 HydrophobicContact CD2-CD1 4.03Å; L47-L52 HydrophobicContact CD2-CD2 4.16Å; L47-L52 HydrophobicContact CG-CD1 4.43Å; L47-L52 HydrophobicContact CG-CD2 4.23Å; L47-F61 HydrophobicContact CD1-CB 3.76Å; L47-F61 HydrophobicContact CD1-CG 4.38Å; L47-V68 HydrophobicContact CD1-CG2 4.11Å; L47-V68 HydrophobicContact CD2-CG2 4.14Å; L47-V70 HydrophobicContact CD2-CG2 4.39Å
48	R	95.2	Very high	94.2	Very high	143 Å²	143	61.3 Å²	61.3	54%	0.54	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.9	176.4	-62.3	176.6	174.6	177.8	-0.8	109.1	T39 M46 N50 D51	T39-R48 HydrophobicContact CG2-CG 4.21Å; M46-R48 HydrophobicContact CE-CG 4.18Å; R48-N50 PolarHBondContact O-N 3.11Å; R48-D51 WeakPolarHBondContact O-CB 3.35Å; R48-D51 PolarHBondContact O-N 3.45Å; R48-D51 VanDerWaalsContact O-N 3.09Å
49	H	96.7	Very high	94.2	Very high	11 Å²	11	62 Å²	62	5%	0.051	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66.7	-29.6	-177.3	-70.6	-162.7	0	0	0	111.9	T33 V34 Q35 A38 D51 L52 I53	T33-H49 PolarHBondContact O-CE1 3.22Å; T33-H49 VanDerWaalsContact O-CE1 3.22Å; T33-H49 PolarHBondContact O-ND1 2.93Å; V34-H49 HydrophobicContact CG1-CB 4.41Å; Q35-H49 PolarHBondContact N-ND1 3.39Å; Q35-H49 VanDerWaalsContact N-ND1 3.18Å; Q35-H49 WeakPolarHBondContact O-CB 3.35Å; Q35-H49 PolarHBondContact O-ND1 3.16Å; A38-H49 HydrophobicContact CB-CB 4.43Å; A38-H49 WeakPolarHBondContact CB-ND1 3.44Å; A38-H49 WeakPolarHBondContact O-CB 3.3Å; A38-H49 PolarHBondContact O-N 2.8Å; H49-D51 PolarHBondContact O-N 3.49Å; H49-D51 VanDerWaalsContact O-N 3.16Å; H49-L52 VanDerWaalsContact O-CB 3.31Å; H49-L52 WeakPolarHBondContact O-CB 3.32Å; H49-L52 PolarHBondContact O-N 3.2Å; H49-I53 PolarHBondContact O-N 2.86Å
50	N	96.3	Very high	94.2	Very high	73 Å²	73	63.5 Å²	63.5	39%	0.39	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58	-27.7	174.5	-69.8	-3.6	0	0	0	112.9	N37 R48 L52	N37-N50 PolarHBondContact N-OD1 2.82Å; N37-N50 PolarHBondContact OD1-ND2 3.22Å; R48-N50 PolarHBondContact O-N 3.11Å; N50-L52 VanDerWaalsContact C-N 3.29Å
51	D	95.2	Very high	94.2	Very high	78 Å²	78	62.5 Å²	62.5	42%	0.417	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-76.4	-21.5	178.4	-59.3	-21.2	0	0	0	111.7	R48 H49 K55 F61	R48-D51 WeakPolarHBondContact O-CB 3.35Å; R48-D51 PolarHBondContact O-N 3.45Å; R48-D51 VanDerWaalsContact O-N 3.09Å; H49-D51 PolarHBondContact O-N 3.49Å; H49-D51 VanDerWaalsContact O-N 3.16Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.35Å; D51-F61 VanDerWaalsContact O-CE1 3.25Å; D51-F61 WeakPolarHBondContact O-CE1 3.33Å
52	L	96.3	Very high	94.1	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-38.6	-178.1	-53.3	-176.8	0	0	0	112.7	I14 I32 V34 L47 H49 N50 N54 K55 F61 V70	I14-L52 WeakPolarHBondContact CB-O 3.42Å; I14-L52 HydrophobicContact CD1-CB 4.34Å; I14-L52 HydrophobicContact CG2-CB 4.2Å; I32-L52 HydrophobicContact CD1-CD1 4.32Å; V34-L52 HydrophobicContact CG2-CD1 4.34Å; L47-L52 HydrophobicContact CD1-CD2 3.99Å; L47-L52 HydrophobicContact CD2-CD1 4.03Å; L47-L52 HydrophobicContact CD2-CD2 4.16Å; L47-L52 HydrophobicContact CG-CD1 4.43Å; L47-L52 HydrophobicContact CG-CD2 4.23Å; H49-L52 VanDerWaalsContact O-CB 3.31Å; H49-L52 WeakPolarHBondContact O-CB 3.32Å; H49-L52 PolarHBondContact O-N 3.2Å; N50-L52 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 3.44Å; L52-K55 VanDerWaalsContact O-CB 3.26Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.78Å; L52-K55 VanDerWaalsContact O-N 3.08Å; L52-F61 HydrophobicContact CD2-CD1 3.7Å; L52-F61 HydrophobicContact CD2-CD2 3.77Å; L52-F61 HydrophobicContact CD2-CE1 3.69Å; L52-F61 HydrophobicContact CD2-CE2 3.74Å; L52-F61 HydrophobicContact CD2-CG 3.72Å; L52-F61 HydrophobicContact CD2-CZ 3.7Å; L52-V70 HydrophobicContact CD1-CG2 4.44Å; L52-V70 HydrophobicContact CD2-CG2 3.76Å
53	I	96.1	Very high	94.1	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.097	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	134	-171.9	-63.5	167.7	0	0	0	110.2	E16 V34 R36 H49 K55	E16-I53 HydrophobicContact CB-CD1 4.39Å; V34-I53 HydrophobicContact CG1-CD1 4.34Å; V34-I53 HydrophobicContact CG1-CG1 3.71Å; R36-I53 HydrophobicContact CB-CD1 4.48Å; H49-I53 PolarHBondContact O-N 2.86Å; I53-K55 PolarHBondContact O-N 3.13Å
54	N	95	Very high	94.2	Very high	94 Å²	94	58.3 Å²	58.3	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	24.9	-176.5	-61.2	-41.6	0	0	0	114.5	I14 Q15 L52	I14-N54 PolarHBondContact O-N 3.27Å; Q15-N54 PolarHBondContact NE2-OD1 2.88Å; Q15-N54 PolarHBondContact OE1-OD1 3.28Å; L52-N54 PolarHBondContact O-N 3.44Å
55	K	96.2	Very high	94.3	Very high	101 Å²	101	61.3 Å²	61.3	44%	0.439	32%	0.316	S	S	.	.			trans	-105.7	149.2	169.9	-59.3	-58.9	-174.4	-177.1	0	110.7	L13 I14 D51 L52 I53 F61	L13-K55 WeakPolarHBondContact CA-O 3.46Å; I14-K55 WeakPolarHBondContact CG1-O 3.47Å; I14-K55 PolarHBondContact N-O 3.16Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.35Å; L52-K55 VanDerWaalsContact O-CB 3.26Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.78Å; L52-K55 VanDerWaalsContact O-N 3.08Å; I53-K55 PolarHBondContact O-N 3.13Å; K55-F61 HydrophobicContact CB-CE1 4.1Å; K55-F61 HydrophobicContact CB-CZ 3.68Å; K55-F61 HydrophobicContact CG-CE1 3.94Å; K55-F61 HydrophobicContact CG-CZ 4.05Å
56	P	96.6	Very high	94.4	Very high	64 Å²	64	62.5 Å²	62.5	42%	0.416	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-69	143.9	179.8	23.5	-26.7	0	0	0	111.4	G12 L13 T59	G12-P56 VanDerWaalsContact O-CA 3.29Å; G12-P56 WeakPolarHBondContact O-CA 3.44Å; L13-P56 HydrophobicContact CD2-CB 4.17Å; P56-T59 WeakPolarHBondContact CD-OG1 3.2Å; P56-T59 WeakPolarHBondContact CG-OG1 3.49Å; P56-T59 VanDerWaalsContact O-CB 3.27Å; P56-T59 WeakPolarHBondContact O-CB 3.39Å; P56-T59 PolarHBondContact O-N 3.38Å; P56-T59 PolarHBondContact O-OG1 3.13Å
57	Y	96	Very high	94.4	Very high	45 Å²	45	65.8 Å²	65.8	18%	0.176	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	145.2	168.5	-73.3	-75.1	0	0	0	111	G12 I14 E18 V20 T59 R72	G12-Y57 WeakPolarHBondContact O-CD2 3.4Å; G12-Y57 PolarHBondContact O-N 3.22Å; G12-Y57 VanDerWaalsContact O-N 3.09Å; I14-Y57 HydrophobicContact CD1-CD1 4.36Å; I14-Y57 HydrophobicContact CG1-CD1 3.71Å; I14-Y57 HydrophobicContact CG1-CD2 4.35Å; I14-Y57 HydrophobicContact CG1-CE1 3.57Å; I14-Y57 HydrophobicContact CG1-CE2 4.18Å; I14-Y57 HydrophobicContact CG1-CG 4.13Å; E18-Y57 PolarHBondContact OE2-OH 3.18Å; V20-Y57 HydrophobicContact CB-CE1 4.41Å; V20-Y57 HydrophobicContact CG1-CE1 3.77Å; Y57-T59 VanDerWaalsContact C-N 3.28Å; Y57-R72 VanDerWaalsContact CD1-CA 3.48Å; Y57-R72 HydrophobicContact CD1-CB 3.86Å; Y57-R72 VanDerWaalsContact CD1-N 3.27Å; Y57-R72 HydrophobicContact CD2-CB 4.32Å; Y57-R72 HydrophobicContact CD2-CG 4.5Å; Y57-R72 HydrophobicContact CE1-CB 4.06Å; Y57-R72 HydrophobicContact CE1-CG 4.38Å; Y57-R72 HydrophobicContact CE2-CG 4.36Å; Y57-R72 HydrophobicContact CG-CB 3.97Å
58	G	94.9	Very high	94.4	Very high	37 Å²	37	65.8 Å²	65.8	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1	-174.6	0	0	0	0	0	114.5	Y69 V70	G58-Y69 WeakPolarHBondContact O-CD1 3.26Å; G58-V70 PolarHBondContact N-O 2.82Å
59	T	95.1	Very high	94.4	Very high	40 Å²	40	63.2 Å²	63.2	25%	0.245	33%	0.33	C	S	.	.			trans	-62.8	140.8	173.5	-62.5	0	0	0	0	111.2	P56 Y57 F61	P56-T59 WeakPolarHBondContact CD-OG1 3.2Å; P56-T59 WeakPolarHBondContact CG-OG1 3.49Å; P56-T59 VanDerWaalsContact O-CB 3.27Å; P56-T59 WeakPolarHBondContact O-CB 3.39Å; P56-T59 PolarHBondContact O-N 3.38Å; P56-T59 PolarHBondContact O-OG1 3.13Å; Y57-T59 VanDerWaalsContact C-N 3.28Å; T59-F61 HydrophobicContact CG2-CD1 4.48Å; T59-F61 HydrophobicContact CG2-CD2 4.3Å; T59-F61 HydrophobicContact CG2-CE1 3.99Å; T59-F61 HydrophobicContact CG2-CE2 3.82Å; T59-F61 HydrophobicContact CG2-CZ 3.66Å; T59-F61 WeakPolarHBondContact O-CD2 3.38Å; T59-F61 WeakPolarHBondContact O-CE2 3.31Å
60	K	95.8	Very high	94.4	Very high	105 Å²	105	62.7 Å²	62.7	46%	0.457	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.4	170.6	-175.5	-176	-178.1	-179.1	0	109.5	Y67 Y69	K60-Y67 HydrophobicContact CD-CD2 4.07Å; K60-Y67 HydrophobicContact CD-CG 4.17Å; K60-Y67 HydrophobicContact CG-CD2 3.81Å; K60-Y67 HydrophobicContact CG-CG 4.06Å; K60-Y69 HydrophobicContact CB-CD1 4.21Å; K60-Y69 HydrophobicContact CB-CE1 3.73Å; K60-Y69 HydrophobicContact CG-CE1 4.27Å
61	F	95	Very high	94.4	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.9	177.5	-65.8	-83.4	0	0	0	110.6	I14 L47 D51 L52 K55 T59 Y67 V68 V70	I14-F61 HydrophobicContact CD1-CE2 4.35Å; I14-F61 HydrophobicContact CD1-CZ 4.29Å; L47-F61 HydrophobicContact CD1-CB 3.76Å; L47-F61 HydrophobicContact CD1-CG 4.38Å; D51-F61 VanDerWaalsContact O-CE1 3.25Å; D51-F61 WeakPolarHBondContact O-CE1 3.33Å; L52-F61 HydrophobicContact CD2-CD1 3.7Å; L52-F61 HydrophobicContact CD2-CD2 3.77Å; L52-F61 HydrophobicContact CD2-CE1 3.69Å; L52-F61 HydrophobicContact CD2-CE2 3.74Å; L52-F61 HydrophobicContact CD2-CG 3.72Å; L52-F61 HydrophobicContact CD2-CZ 3.7Å; K55-F61 HydrophobicContact CB-CE1 4.1Å; K55-F61 HydrophobicContact CB-CZ 3.68Å; K55-F61 HydrophobicContact CG-CE1 3.94Å; K55-F61 HydrophobicContact CG-CZ 4.05Å; T59-F61 HydrophobicContact CG2-CD1 4.48Å; T59-F61 HydrophobicContact CG2-CD2 4.3Å; T59-F61 HydrophobicContact CG2-CE1 3.99Å; T59-F61 HydrophobicContact CG2-CE2 3.82Å; T59-F61 HydrophobicContact CG2-CZ 3.66Å; T59-F61 WeakPolarHBondContact O-CD2 3.38Å; T59-F61 WeakPolarHBondContact O-CE2 3.31Å; F61-Y67 CarbonylContact O-C 3.55Å; F61-Y67 WeakPolarHBondContact O-CA 2.98Å; F61-Y67 VanDerWaalsContact O-CB 3.31Å; F61-Y67 WeakPolarHBondContact O-CB 3.25Å; F61-V68 HydrophobicContact CB-CG2 4.18Å; F61-V68 PolarHBondContact N-O 3.38Å; F61-V68 PolarHBondContact O-N 3.33Å; F61-V70 HydrophobicContact CD2-CB 4.13Å; F61-V70 HydrophobicContact CD2-CG2 3.67Å; F61-V70 HydrophobicContact CE2-CB 3.87Å; F61-V70 HydrophobicContact CE2-CG2 3.86Å
62	N	93.3	Very high	94.4	Very high	126 Å²	126	63.7 Å²	63.7	67%	0.674	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.8	173.9	-67.1	-35.4	0	0	0	109.5
63	C	91.6	Very high	94.3	Very high	16 Å²	16	65.7 Å²	65.7	11%	0.108	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	174.6	170	-59.3	0	0	0	0	109	H42 Y44 M46 K65 G66	H42-C63 PolarHBondContact NE2-SG 2.84Å; H42-C63 VanDerWaalsContact NE2-SG 3.41Å; Y44-C63 VanDerWaalsContact O-CB 3.3Å; Y44-C63 WeakPolarHBondContact O-CB 3.16Å; M46-C63 WeakPolarHBondContact O-CA 3.48Å; C63-K65 PolarHBondContact O-N 2.96Å; C63-K65 VanDerWaalsContact O-N 3.11Å; C63-G66 PolarHBondContact N-O 2.89Å
64	T	89.6	Confident	94.2	Very high	99 Å²	99	67.6 Å²	67.6	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.7	176.8	-42.4	0	0	0	0	113.1	M46	M46-T64 PolarHBondContact N-OG1 2.86Å; M46-T64 VanDerWaalsContact N-OG1 3.15Å
65	K	87.3	Confident	94.3	Very high	162 Å²	162	63.5 Å²	63.5	70%	0.704	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	67.1	179.9	-67.5	-172.1	179.1	-179.1	0	112.1	Y44 C63	Y44-K65 CarbonylContact C-O 3.15Å; Y44-K65 WeakPolarHBondContact CA-O 3.34Å; Y44-K65 WeakPolarHBondContact CB-O 3.36Å; Y44-K65 CarbonylContact O-C 3.56Å; Y44-K65 VanDerWaalsContact O-CA 3.22Å; Y44-K65 WeakPolarHBondContact O-CA 3.31Å; Y44-K65 WeakPolarHBondContact O-CB 3.23Å; Y44-K65 PolarHBondContact O-N 2.88Å; C63-K65 PolarHBondContact O-N 2.96Å; C63-K65 VanDerWaalsContact O-N 3.11Å
66	G	91.3	Very high	94.3	Very high	39 Å²	39	61.3 Å²	61.3	40%	0.402	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.5	-150.7	175.2	0	0	0	0	0	111.5	C63	C63-G66 PolarHBondContact N-O 2.89Å
67	Y	93.7	Very high	94.3	Very high	114 Å²	114	59.7 Å²	59.7	45%	0.447	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.6	178.2	64.8	-94.4	0	0	0	111.3	K60 F61 Y69	K60-Y67 HydrophobicContact CD-CD2 4.07Å; K60-Y67 HydrophobicContact CD-CG 4.17Å; K60-Y67 HydrophobicContact CG-CD2 3.81Å; K60-Y67 HydrophobicContact CG-CG 4.06Å; F61-Y67 CarbonylContact O-C 3.55Å; F61-Y67 WeakPolarHBondContact O-CA 2.98Å; F61-Y67 VanDerWaalsContact O-CB 3.31Å; F61-Y67 WeakPolarHBondContact O-CB 3.25Å; Y67-Y69 HydrophobicContact CD2-CE2 4.13Å; Y67-Y69 HydrophobicContact CE2-CD2 4.4Å; Y67-Y69 AromaticContact CE2-CE2 3.69Å; Y67-Y69 HydrophobicContact CE2-CE2 3.69Å
68	V	95.7	Very high	94.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.3	173.2	-62.1	0	0	0	0	109.9	V22 V24 H42 L47 F61	V22-V68 HydrophobicContact CG1-CB 3.91Å; V22-V68 HydrophobicContact CG1-CG1 4.01Å; V22-V68 HydrophobicContact CG1-CG2 3.93Å; V24-V68 HydrophobicContact CB-CG1 4.45Å; V24-V68 HydrophobicContact CG2-CG1 3.92Å; H42-V68 WeakPolarHBondContact CE1-CG1 3.4Å; L47-V68 HydrophobicContact CD1-CG2 4.11Å; L47-V68 HydrophobicContact CD2-CG2 4.14Å; F61-V68 HydrophobicContact CB-CG2 4.18Å; F61-V68 PolarHBondContact N-O 3.38Å; F61-V68 PolarHBondContact O-N 3.33Å
69	Y	95.8	Very high	94.4	Very high	88 Å²	88	56.1 Å²	56.1	35%	0.345	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.5	165	-68.3	-83.6	0	0	0	109	Y23 G58 K60 Y67	Y23-Y69 WeakPolarHBondContact CA-O 3.25Å; Y23-Y69 WeakPolarHBondContact CB-O 3.04Å; Y23-Y69 HydrophobicContact CD1-CD2 4.49Å; Y23-Y69 PolarHBondContact N-O 2.92Å; Y23-Y69 PolarHBondContact O-N 3.38Å; G58-Y69 WeakPolarHBondContact O-CD1 3.26Å; K60-Y69 HydrophobicContact CB-CD1 4.21Å; K60-Y69 HydrophobicContact CB-CE1 3.73Å; K60-Y69 HydrophobicContact CG-CE1 4.27Å; Y67-Y69 HydrophobicContact CD2-CE2 4.13Å; Y67-Y69 HydrophobicContact CE2-CD2 4.4Å; Y67-Y69 AromaticContact CE2-CE2 3.69Å; Y67-Y69 HydrophobicContact CE2-CE2 3.69Å
70	V	95.8	Very high	94.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118	172.6	178.5	0	0	0	0	108.7	I14 V20 I21 V22 L47 L52 G58 F61	I14-V70 HydrophobicContact CD1-CB 4.09Å; I14-V70 HydrophobicContact CD1-CG1 3.67Å; I14-V70 HydrophobicContact CG1-CG1 4.44Å; V20-V70 HydrophobicContact CB-CG1 3.64Å; V20-V70 HydrophobicContact CG1-CG1 4.27Å; V20-V70 HydrophobicContact CG2-CG1 3.63Å; I21-V70 WeakPolarHBondContact O-CA 3.37Å; V22-V70 HydrophobicContact CG2-CG2 4.49Å; L47-V70 HydrophobicContact CD2-CG2 4.39Å; L52-V70 HydrophobicContact CD1-CG2 4.44Å; L52-V70 HydrophobicContact CD2-CG2 3.76Å; G58-V70 PolarHBondContact N-O 2.82Å; F61-V70 HydrophobicContact CD2-CB 4.13Å; F61-V70 HydrophobicContact CD2-CG2 3.67Å; F61-V70 HydrophobicContact CE2-CB 3.87Å; F61-V70 HydrophobicContact CE2-CG2 3.86Å
71	L	95.7	Very high	94.3	Very high	50 Å²	50	56.6 Å²	56.6	26%	0.262	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	153	-175	-53.7	177.7	0	0	0	110.5	I21 Y23 M77	I21-L71 HydrophobicContact CB-CB 4.26Å; I21-L71 PolarHBondContact N-O 3.2Å; I21-L71 PolarHBondContact O-N 3.42Å; Y23-L71 HydrophobicContact CD2-CD1 4.08Å; Y23-L71 HydrophobicContact CG-CD1 3.99Å; L71-M77 HydrophobicContact CD1-CE 3.6Å
72	R	95.2	Very high	94.3	Very high	122 Å²	122	56 Å²	56	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.8	174.6	-169.4	172.6	-176.2	163	3.6	110.1	D11 Y57 N74	D11-R72 VanDerWaalsContact CG-NH1 3.34Å; D11-R72 VanDerWaalsContact CG-NH2 3.32Å; D11-R72 PolarHBondContact O-NH1 3.19Å; D11-R72 IonicContact OD1-CZ 3.77Å; D11-R72 IonicContact OD1-NH1 2.98Å; D11-R72 PolarHBondContact OD1-NH1 3.3Å; D11-R72 IonicContact OD1-NH2 3.68Å; D11-R72 PolarHBondContact OD1-NH2 3.28Å; D11-R72 IonicContact OD2-CZ 3.85Å; D11-R72 IonicContact OD2-NH1 2.71Å; D11-R72 PolarHBondContact OD2-NH1 3.48Å; D11-R72 IonicContact OD2-NH2 2.88Å; D11-R72 PolarHBondContact OD2-NH2 2.94Å; Y57-R72 VanDerWaalsContact CD1-CA 3.48Å; Y57-R72 HydrophobicContact CD1-CB 3.86Å; Y57-R72 VanDerWaalsContact CD1-N 3.27Å; Y57-R72 HydrophobicContact CD2-CB 4.32Å; Y57-R72 HydrophobicContact CD2-CG 4.5Å; Y57-R72 HydrophobicContact CE1-CB 4.06Å; Y57-R72 HydrophobicContact CE1-CG 4.38Å; Y57-R72 HydrophobicContact CE2-CG 4.36Å; Y57-R72 HydrophobicContact CG-CB 3.97Å; R72-N74 PolarHBondContact O-N 2.83Å
73	F	94.7	Very high	94.2	Very high	42 Å²	42	53.5 Å²	53.5	18%	0.184	26%	0.264	C	S	.	.			trans	-56	136.4	171.2	179.9	-87.2	0	0	0	111.1	T19 W78 H121 H153	T19-F73 HydrophobicContact CG2-CD2 4.07Å; T19-F73 WeakPolarHBondContact O-CB 3.21Å; F73-W78 HydrophobicContact CD2-CB 4.49Å; F73-W78 HydrophobicContact CE2-CB 3.62Å; F73-W78 AromaticContact CE2-CD2 3.73Å; F73-W78 HydrophobicContact CE2-CD2 3.73Å; F73-W78 AromaticContact CE2-CE3 3.7Å; F73-W78 HydrophobicContact CE2-CE3 3.7Å; F73-W78 AromaticContact CE2-CG 3.71Å; F73-W78 HydrophobicContact CE2-CG 3.71Å; F73-W78 HydrophobicContact CZ-CB 3.69Å; F73-W78 HydrophobicContact CZ-CD2 4.17Å; F73-W78 AromaticContact CZ-CG 3.77Å; F73-W78 HydrophobicContact CZ-CG 3.77Å; F73-H121 AromaticContact CZ-CD2 3.66Å; F73-H153 AromaticContact CE2-CE1 3.66Å; F73-H153 AromaticContact CE2-ND1 3.84Å; F73-H153 AromaticContact CE2-NE2 3.9Å; F73-H153 AromaticContact CZ-ND1 3.75Å
74	N	94.9	Very high	94	Very high	60 Å²	60	57.3 Å²	57.3	32%	0.321	28%	0.28	S	S	.	.			trans	-149.4	158.2	162.2	62.3	39.4	0	0	0	109.6	R72 E76 M77 W78	R72-N74 PolarHBondContact O-N 2.83Å; N74-E76 VanDerWaalsContact C-N 3.28Å; N74-E76 PolarHBondContact O-N 2.87Å; N74-E76 PolarHBondContact OD1-N 3.25Å; N74-M77 PolarHBondContact O-N 2.95Å; N74-M77 VanDerWaalsContact OD1-CB 3.22Å; N74-M77 WeakPolarHBondContact OD1-CB 3.28Å; N74-M77 WeakPolarHBondContact OD1-CG 3.3Å; N74-M77 PolarHBondContact OD1-N 3.36Å; N74-W78 WeakPolarHBondContact O-CB 3.4Å; N74-W78 PolarHBondContact O-N 3.1Å
75	P	97	Very high	93.7	Very high	7 Å²	7	57.7 Å²	57.7	5%	0.045	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-34.6	-179.5	-28.4	35.8	0	0	0	114.8	W78 T79 H121 S122 R125	P75-W78 PolarHBondContact O-N 2.93Å; P75-T79 WeakPolarHBondContact O-CB 3.43Å; P75-T79 PolarHBondContact O-N 3Å; P75-T79 PolarHBondContact O-OG1 2.64Å; P75-H121 HydrophobicContact CB-CB 4.23Å; P75-H121 HydrophobicContact CG-CB 4.42Å; P75-H121 WeakPolarHBondContact CG-O 3.37Å; P75-S122 VanDerWaalsContact CB-OG 3.27Å; P75-S122 WeakPolarHBondContact CB-OG 3.46Å; P75-R125 HydrophobicContact CG-CB 3.9Å; P75-R125 HydrophobicContact CG-CG 4.47Å
76	E	95.9	Very high	93.8	Very high	55 Å²	55	52 Å²	52	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-38.5	179.9	-68.9	73.6	-158	0	0	113.2	N74 T91 R125	N74-E76 VanDerWaalsContact C-N 3.28Å; N74-E76 PolarHBondContact O-N 2.87Å; N74-E76 PolarHBondContact OD1-N 3.25Å; E76-T91 HydrophobicContact CB-CG2 4.43Å; E76-T91 HydrophobicContact CG-CG2 3.58Å; E76-R125 IonicContact OE1-CZ 3.8Å; E76-R125 VanDerWaalsContact OE1-CZ 3.24Å; E76-R125 IonicContact OE1-NH1 3.51Å; E76-R125 PolarHBondContact OE1-NH1 3.08Å; E76-R125 IonicContact OE1-NH2 3.24Å; E76-R125 PolarHBondContact OE1-NH2 3.11Å; E76-R125 IonicContact OE2-CZ 2.7Å; E76-R125 IonicContact OE2-NH1 3.09Å; E76-R125 PolarHBondContact OE2-NH1 2.85Å
77	M	95.5	Very high	93.9	Very high	31 Å²	31	57.1 Å²	57.1	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-40.6	174.5	-68.6	-61	-140.6	0	0	110.3	I21 Y23 L71 N74 T79 K80 T81	I21-M77 HydrophobicContact CD1-CB 4.11Å; I21-M77 HydrophobicContact CG1-CB 3.82Å; I21-M77 HydrophobicContact CG2-CB 4.27Å; Y23-M77 HydrophobicContact CD2-CE 4.24Å; L71-M77 HydrophobicContact CD1-CE 3.6Å; N74-M77 PolarHBondContact O-N 2.95Å; N74-M77 VanDerWaalsContact OD1-CB 3.22Å; N74-M77 WeakPolarHBondContact OD1-CB 3.28Å; N74-M77 WeakPolarHBondContact OD1-CG 3.3Å; N74-M77 PolarHBondContact OD1-N 3.36Å; M77-T79 VanDerWaalsContact C-N 3.29Å; M77-T79 PolarHBondContact O-N 3.47Å; M77-K80 WeakPolarHBondContact O-CB 3.49Å; M77-K80 PolarHBondContact O-N 3.1Å; M77-K80 HydrophobicContact SD-CD 4.46Å; M77-T81 WeakPolarHBondContact O-CG2 3.27Å; M77-T81 PolarHBondContact O-N 3.32Å; M77-T81 VanDerWaalsContact O-N 3.16Å; M77-T81 PolarHBondContact O-OG1 2.81Å; M77-T81 VanDerWaalsContact O-OG1 3.07Å
78	W	96.4	Very high	94	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-54.6	-46.9	173.3	179.8	-115.2	0	0	0	111.4	A31 F73 N74 P75 K80 T81 L82 H121 D149 H153	A31-W78 HydrophobicContact CB-CE3 3.87Å; A31-W78 HydrophobicContact CB-CZ3 3.59Å; F73-W78 HydrophobicContact CD2-CB 4.49Å; F73-W78 HydrophobicContact CE2-CB 3.62Å; F73-W78 AromaticContact CE2-CD2 3.73Å; F73-W78 HydrophobicContact CE2-CD2 3.73Å; F73-W78 AromaticContact CE2-CE3 3.7Å; F73-W78 HydrophobicContact CE2-CE3 3.7Å; F73-W78 AromaticContact CE2-CG 3.71Å; F73-W78 HydrophobicContact CE2-CG 3.71Å; F73-W78 HydrophobicContact CZ-CB 3.69Å; F73-W78 HydrophobicContact CZ-CD2 4.17Å; F73-W78 AromaticContact CZ-CG 3.77Å; F73-W78 HydrophobicContact CZ-CG 3.77Å; N74-W78 WeakPolarHBondContact O-CB 3.4Å; N74-W78 PolarHBondContact O-N 3.1Å; P75-W78 PolarHBondContact O-N 2.93Å; W78-K80 PolarHBondContact O-N 2.97Å; W78-T81 PolarHBondContact O-N 3.35Å; W78-T81 PolarHBondContact O-OG1 3.23Å; W78-L82 HydrophobicContact CD2-CB 3.81Å; W78-L82 VanDerWaalsContact CE2-CB 3.43Å; W78-L82 HydrophobicContact CE3-CB 4.23Å; W78-L82 HydrophobicContact CG-CB 4.34Å; W78-L82 HydrophobicContact CG-CD2 4.43Å; W78-L82 HydrophobicContact CH2-CB 4.03Å; W78-L82 HydrophobicContact CZ2-CB 3.56Å; W78-L82 HydrophobicContact CZ3-CB 4.34Å; W78-L82 VanDerWaalsContact O-CB 3.29Å; W78-L82 WeakPolarHBondContact O-CB 3.45Å; W78-L82 WeakPolarHBondContact O-CD2 3.27Å; W78-L82 WeakPolarHBondContact O-CG 3.45Å; W78-L82 PolarHBondContact O-N 3.41Å; W78-H121 AromaticContact CD1-CD2 3.99Å; W78-H121 AromaticContact CD1-CE1 3.95Å; W78-H121 AromaticContact CD1-CG 3.56Å; W78-H121 AromaticContact CD1-ND1 3.55Å; W78-H121 AromaticContact NE1-CE1 3.34Å; W78-H121 PolarHBondContact NE1-CE1 3.3Å; W78-H121 VanDerWaalsContact NE1-CE1 3.34Å; W78-H121 AromaticContact NE1-CG 3.77Å; W78-H121 AromaticContact NE1-ND1 3.29Å; W78-H121 PolarHBondContact NE1-ND1 3.13Å; W78-H121 AromaticContact NE1-NE2 3.84Å; W78-D149 HydrophobicContact CZ2-CB 4.39Å; W78-H153 AromaticContact CH2-CE1 3.81Å; W78-H153 AromaticContact CZ2-CE1 3.87Å; W78-H153 AromaticContact CZ3-CE1 3.93Å
79	T	96.7	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-49.8	-33.3	174.1	-63.3	0	0	0	0	113	P75 M77 I88 Y90 S118	P75-T79 WeakPolarHBondContact O-CB 3.43Å; P75-T79 PolarHBondContact O-N 3Å; P75-T79 PolarHBondContact O-OG1 2.64Å; M77-T79 VanDerWaalsContact C-N 3.29Å; M77-T79 PolarHBondContact O-N 3.47Å; T79-I88 HydrophobicContact CG2-CD1 4.11Å; T79-I88 VanDerWaalsContact O-CD1 3.31Å; T79-I88 WeakPolarHBondContact O-CD1 3.34Å; T79-Y90 HydrophobicContact CG2-CD1 3.93Å; T79-S118 WeakPolarHBondContact CG2-OG 3.34Å; T79-S118 PolarHBondContact OG1-OG 3.13Å
80	K	94.1	Very high	94	Very high	130 Å²	130	52.9 Å²	52.9	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-88.8	-18.1	-179.2	-64.5	174.4	-175.6	171	0	113.8	M77 W78	M77-K80 WeakPolarHBondContact O-CB 3.49Å; M77-K80 PolarHBondContact O-N 3.1Å; M77-K80 HydrophobicContact SD-CD 4.46Å; W78-K80 PolarHBondContact O-N 2.97Å
81	T	94.9	Very high	94	Very high	24 Å²	24	55.1 Å²	55.1	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-119.6	-12.7	-169.5	59.6	0	0	0	0	114	I21 S29 A31 M77 W78	I21-T81 HydrophobicContact CD1-CG2 4.48Å; S29-T81 WeakPolarHBondContact O-CG2 3.22Å; A31-T81 WeakPolarHBondContact CB-OG1 3.37Å; M77-T81 WeakPolarHBondContact O-CG2 3.27Å; M77-T81 PolarHBondContact O-N 3.32Å; M77-T81 VanDerWaalsContact O-N 3.16Å; M77-T81 PolarHBondContact O-OG1 2.81Å; M77-T81 VanDerWaalsContact O-OG1 3.07Å; W78-T81 PolarHBondContact O-N 3.35Å; W78-T81 PolarHBondContact O-OG1 3.23Å
82	L	94.6	Very high	93.9	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-63.8	147	-178.3	67	92.4	0	0	0	111.2	W78 H84 I88	W78-L82 HydrophobicContact CD2-CB 3.81Å; W78-L82 VanDerWaalsContact CE2-CB 3.43Å; W78-L82 HydrophobicContact CE3-CB 4.23Å; W78-L82 HydrophobicContact CG-CB 4.34Å; W78-L82 HydrophobicContact CG-CD2 4.43Å; W78-L82 HydrophobicContact CH2-CB 4.03Å; W78-L82 HydrophobicContact CZ2-CB 3.56Å; W78-L82 HydrophobicContact CZ3-CB 4.34Å; W78-L82 VanDerWaalsContact O-CB 3.29Å; W78-L82 WeakPolarHBondContact O-CB 3.45Å; W78-L82 WeakPolarHBondContact O-CD2 3.27Å; W78-L82 WeakPolarHBondContact O-CG 3.45Å; W78-L82 PolarHBondContact O-N 3.41Å; L82-H84 PolarHBondContact O-CD2 3.02Å; L82-H84 VanDerWaalsContact O-CD2 3.25Å; L82-H84 PolarHBondContact O-N 3.06Å; L82-I88 HydrophobicContact CD1-CD1 4.46Å; L82-I88 HydrophobicContact CD1-CG2 4.34Å; L82-I88 HydrophobicContact CD2-CD1 4.31Å
83	P	91.4	Very high	94	Very high	73 Å²	73	49 Å²	49	47%	0.474	24%	0.24	S	C	.	.			trans	-63	119.1	172.1	-20.5	33.3	0	0	0	110.8	H85	P83-H85 PolarHBondContact O-CD2 2.98Å; P83-H85 PolarHBondContact O-N 3.48Å
84	H	88.6	Confident	94.2	Very high	96 Å²	96	47.2 Å²	47.2	44%	0.444	23%	0.231	S	C	.	.			trans	-79.7	114.2	179.5	-70.3	-105	0	0	0	110.5	L82 I88	L82-H84 PolarHBondContact O-CD2 3.02Å; L82-H84 VanDerWaalsContact O-CD2 3.25Å; L82-H84 PolarHBondContact O-N 3.06Å; H84-I88 WeakPolarHBondContact CE1-CD1 3.36Å
85	H	83.7	Confident	94.3	Very high	106 Å²	106	47.7 Å²	47.7	49%	0.491	24%	0.24	S	C	.	.	S	Bend	trans	-98.1	-21.1	167.2	-60	-71.4	0	0	0	111.7	P83 S116 R142 S145	P83-H85 PolarHBondContact O-CD2 2.98Å; P83-H85 PolarHBondContact O-N 3.48Å; H85-S116 PolarHBondContact N-OG 3.27Å; H85-R142 HydrophobicContact CB-CG 4.42Å; H85-S145 PolarHBondContact NE2-OG 3.45Å
86	T	89.6	Confident	94.3	Very high	43 Å²	43	49.8 Å²	49.8	26%	0.264	25%	0.249	S	C	.	.	S	Bend	trans	-140.8	170.6	-176.6	57	0	0	0	0	110.3	S116	T86-S116 PolarHBondContact N-OG 3.17Å; T86-S116 VanDerWaalsContact N-OG 3.15Å; T86-S116 PolarHBondContact OG1-N 2.69Å; T86-S116 PolarHBondContact OG1-OG 3.05Å; T86-S116 VanDerWaalsContact OG1-OG 3.05Å
87	Q	92.9	Very high	94.4	Very high	146 Å²	146	47.1 Å²	47.1	68%	0.682	24%	0.237	S	C	*	.			trans	-58.9	141.3	156.7	-174.3	62.6	14.1	0	0	108.5
88	I	95.6	Very high	94.6	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.062	24%	0.237	C	C	.	.			trans	-121.7	157.1	-179.4	66	169.2	0	0	0	111.3	T79 L82 H84 Y90	T79-I88 HydrophobicContact CG2-CD1 4.11Å; T79-I88 VanDerWaalsContact O-CD1 3.31Å; T79-I88 WeakPolarHBondContact O-CD1 3.34Å; L82-I88 HydrophobicContact CD1-CD1 4.46Å; L82-I88 HydrophobicContact CD1-CG2 4.34Å; L82-I88 HydrophobicContact CD2-CD1 4.31Å; H84-I88 WeakPolarHBondContact CE1-CD1 3.36Å; I88-Y90 HydrophobicContact CD1-CD1 4.48Å; I88-Y90 HydrophobicContact CD1-CE1 4.08Å; I88-Y90 HydrophobicContact CG1-CD2 4.36Å; I88-Y90 HydrophobicContact CG1-CE1 4.31Å; I88-Y90 HydrophobicContact CG1-CE2 3.93Å
89	L	96.4	Very high	94.7	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	27%	0.269	C	S	.	.			trans	-75.7	137.9	161.4	-64.1	169.8	0	0	0	109.9	D93 I94 I97 S118 L119 F181 F209	L89-D93 HydrophobicContact CD2-CB 4.1Å; L89-I94 HydrophobicContact CB-CD1 4.26Å; L89-I94 HydrophobicContact CB-CG1 3.82Å; L89-I94 VanDerWaalsContact O-CD1 3.29Å; L89-I94 WeakPolarHBondContact O-CD1 3.47Å; L89-I97 HydrophobicContact CD1-CD1 3.62Å; L89-S118 PolarHBondContact O-OG 2.94Å; L89-L119 HydrophobicContact CD1-CB 4.35Å; L89-L119 HydrophobicContact CD1-CD2 3.94Å; L89-F181 HydrophobicContact CD1-CE1 3.67Å; L89-F181 HydrophobicContact CD1-CZ 3.96Å; L89-F209 HydrophobicContact CD2-CB 4.43Å; L89-F209 HydrophobicContact CD2-CD1 4.22Å; L89-F209 HydrophobicContact CD2-CD2 3.52Å; L89-F209 HydrophobicContact CD2-CE1 4.33Å; L89-F209 HydrophobicContact CD2-CE2 3.62Å; L89-F209 HydrophobicContact CD2-CG 3.81Å; L89-F209 HydrophobicContact CD2-CZ 4.03Å
90	Y	95	Very high	94.7	Very high	96 Å²	96	56 Å²	56	38%	0.376	28%	0.278	S	S	.	.			trans	-101.2	165.6	177.3	-72.3	-87.9	0	0	0	111.2	T79 I88 K92 D93 I94	T79-Y90 HydrophobicContact CG2-CD1 3.93Å; I88-Y90 HydrophobicContact CD1-CD1 4.48Å; I88-Y90 HydrophobicContact CD1-CE1 4.08Å; I88-Y90 HydrophobicContact CG1-CD2 4.36Å; I88-Y90 HydrophobicContact CG1-CE1 4.31Å; I88-Y90 HydrophobicContact CG1-CE2 3.93Å; Y90-K92 PolarHBondContact O-N 3.18Å; Y90-D93 PolarHBondContact O-N 3.23Å; Y90-I94 WeakPolarHBondContact O-CG1 3.29Å; Y90-I94 PolarHBondContact O-N 3.05Å
91	T	94.9	Very high	95	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-44.7	-37.4	-177.3	-52.5	0	0	0	0	114.5	E76 S95	E76-T91 HydrophobicContact CB-CG2 4.43Å; E76-T91 HydrophobicContact CG-CG2 3.58Å; T91-S95 WeakPolarHBondContact O-CB 3.25Å; T91-S95 PolarHBondContact O-N 3.31Å; T91-S95 PolarHBondContact O-OG 2.75Å
92	K	95	Very high	95.1	Very high	43 Å²	43	53 Å²	53	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-60.4	175.1	172.7	-174	70.5	80.3	0	111.5	Y90 S95 M96 L236 H238 T297	Y90-K92 PolarHBondContact O-N 3.18Å; K92-S95 PolarHBondContact O-N 2.73Å; K92-S95 PolarHBondContact O-OG 3.11Å; K92-M96 PolarHBondContact O-N 2.85Å; K92-L236 HydrophobicContact CD-CB 4.08Å; K92-L236 WeakPolarHBondContact CD-O 3.2Å; K92-L236 VanDerWaalsContact CE-O 3.29Å; K92-L236 WeakPolarHBondContact CE-O 3.36Å; K92-L236 HydrophobicContact CG-CB 4.17Å; K92-L236 HydrophobicContact CG-CD1 4.44Å; K92-L236 PolarHBondContact NZ-O 2.75Å; K92-H238 HydrophobicContact CD-CB 3.36Å; K92-H238 HydrophobicContact CG-CB 4.23Å; K92-T297 PolarHBondContact NZ-OG1 2.83Å; K92-T297 VanDerWaalsContact NZ-OG1 3.11Å
93	D	97	Very high	95.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.011	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-43.3	-176.2	-64.2	-37.3	0	0	0	110.3	L89 Y90 S95 M96 I97 T297 L300	L89-D93 HydrophobicContact CD2-CB 4.1Å; Y90-D93 PolarHBondContact O-N 3.23Å; D93-S95 VanDerWaalsContact C-N 3.3Å; D93-S95 PolarHBondContact O-N 3.44Å; D93-M96 PolarHBondContact O-N 2.97Å; D93-M96 VanDerWaalsContact O-N 3.15Å; D93-I97 WeakPolarHBondContact O-CD1 3.08Å; D93-I97 VanDerWaalsContact O-CG1 3.25Å; D93-I97 WeakPolarHBondContact O-CG1 3.37Å; D93-I97 PolarHBondContact O-N 2.95Å; D93-T297 PolarHBondContact OD2-OG1 2.84Å; D93-L300 HydrophobicContact CB-CD1 4.25Å
94	I	97.9	Very high	95.6	Very high	3 Å²	3	57 Å²	57	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-54.9	-44.9	176.2	-68.8	176.3	0	0	0	111.5	L89 Y90 M96 I97 V98 L119 S122	L89-I94 HydrophobicContact CB-CD1 4.26Å; L89-I94 HydrophobicContact CB-CG1 3.82Å; L89-I94 VanDerWaalsContact O-CD1 3.29Å; L89-I94 WeakPolarHBondContact O-CD1 3.47Å; Y90-I94 WeakPolarHBondContact O-CG1 3.29Å; Y90-I94 PolarHBondContact O-N 3.05Å; I94-M96 VanDerWaalsContact C-N 3.31Å; I94-M96 PolarHBondContact O-N 2.88Å; I94-I97 PolarHBondContact O-N 3.04Å; I94-V98 HydrophobicContact CG2-CG2 4.14Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.46Å; I94-L119 HydrophobicContact CB-CD1 4.45Å; I94-L119 HydrophobicContact CD1-CB 4.49Å; I94-L119 HydrophobicContact CG1-CB 4.4Å; I94-L119 HydrophobicContact CG1-CD1 4.09Å; I94-L119 HydrophobicContact CG2-CD1 4.09Å; I94-S122 WeakPolarHBondContact CG2-OG 3.41Å
95	S	97.3	Very high	96	Very high	71 Å²	71	58 Å²	58	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-40.9	-178.9	69.4	0	0	0	0	112.1	T91 K92 D93 F99	T91-S95 WeakPolarHBondContact O-CB 3.25Å; T91-S95 PolarHBondContact O-N 3.31Å; T91-S95 PolarHBondContact O-OG 2.75Å; K92-S95 PolarHBondContact O-N 2.73Å; K92-S95 PolarHBondContact O-OG 3.11Å; D93-S95 VanDerWaalsContact C-N 3.3Å; D93-S95 PolarHBondContact O-N 3.44Å; S95-F99 WeakPolarHBondContact O-CB 3.42Å; S95-F99 PolarHBondContact O-N 2.81Å
96	M	97.7	Very high	96.7	Very high	50 Å²	50	54.4 Å²	54.4	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-40.3	175.5	-172.2	60.6	66.9	0	0	111.4	K92 D93 I94 F99 Q100 M234 L236 L300 F302	K92-M96 PolarHBondContact O-N 2.85Å; D93-M96 PolarHBondContact O-N 2.97Å; D93-M96 VanDerWaalsContact O-N 3.15Å; I94-M96 VanDerWaalsContact C-N 3.31Å; I94-M96 PolarHBondContact O-N 2.88Å; M96-F99 PolarHBondContact O-N 2.87Å; M96-Q100 HydrophobicContact CG-CG 3.91Å; M96-Q100 VanDerWaalsContact O-CB 3.26Å; M96-Q100 WeakPolarHBondContact O-CB 3.31Å; M96-Q100 VanDerWaalsContact O-CG 3.25Å; M96-Q100 WeakPolarHBondContact O-CG 3.42Å; M96-Q100 PolarHBondContact O-N 2.69Å; M96-Q100 HydrophobicContact SD-CG 3.63Å; M96-M234 HydrophobicContact CG-SD 4.46Å; M96-M234 HydrophobicContact SD-SD 4.27Å; M96-L236 HydrophobicContact CB-CD1 3.46Å; M96-L236 VanDerWaalsContact CB-CD1 3.46Å; M96-L236 HydrophobicContact CE-CD1 4.45Å; M96-L236 HydrophobicContact CE-CD2 3.97Å; M96-L236 HydrophobicContact CG-CD1 3.84Å; M96-L236 HydrophobicContact CG-CD2 4.46Å; M96-L300 HydrophobicContact CB-CD1 4.26Å; M96-L300 HydrophobicContact CG-CD1 4.35Å; M96-F302 HydrophobicContact CG-CE2 4.27Å; M96-F302 HydrophobicContact CG-CZ 4.41Å
97	I	98.5	Very high	97.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-52.1	177.5	-68	160.6	0	0	0	110.7	L89 D93 I94 F99 Q100 L101 L119 F181 L300 F302	L89-I97 HydrophobicContact CD1-CD1 3.62Å; D93-I97 WeakPolarHBondContact O-CD1 3.08Å; D93-I97 VanDerWaalsContact O-CG1 3.25Å; D93-I97 WeakPolarHBondContact O-CG1 3.37Å; D93-I97 PolarHBondContact O-N 2.95Å; I94-I97 PolarHBondContact O-N 3.04Å; I97-F99 PolarHBondContact O-N 2.99Å; I97-Q100 PolarHBondContact O-N 2.95Å; I97-L101 HydrophobicContact CG2-CD1 3.65Å; I97-L101 HydrophobicContact CG2-CG 4.22Å; I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.26Å; I97-L101 VanDerWaalsContact O-CG 3.26Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.31Å; I97-L119 HydrophobicContact CB-CD1 4.48Å; I97-L119 HydrophobicContact CD1-CD1 4.48Å; I97-L119 HydrophobicContact CD1-CD2 4.47Å; I97-L119 HydrophobicContact CG2-CD1 4.03Å; I97-L119 HydrophobicContact CG2-CD2 4.37Å; I97-F181 HydrophobicContact CB-CE2 4.28Å; I97-F181 HydrophobicContact CD1-CE1 4.06Å; I97-F181 HydrophobicContact CD1-CE2 3.63Å; I97-F181 HydrophobicContact CD1-CZ 3.32Å; I97-F181 HydrophobicContact CG1-CD2 4.37Å; I97-F181 HydrophobicContact CG1-CE2 3.58Å; I97-F181 HydrophobicContact CG1-CZ 3.85Å; I97-F181 HydrophobicContact CG2-CD2 3.57Å; I97-F181 HydrophobicContact CG2-CE2 3.66Å; I97-F181 HydrophobicContact CG2-CG 4.15Å; I97-F181 HydrophobicContact CG2-CZ 4.29Å; I97-L300 HydrophobicContact CD1-CD2 3.78Å; I97-L300 HydrophobicContact CG1-CD1 4.16Å; I97-L300 HydrophobicContact CG1-CD2 3.76Å; I97-F302 HydrophobicContact CG1-CE1 4.38Å; I97-F302 HydrophobicContact CG1-CZ 4.13Å
98	V	98.4	Very high	97.4	Very high	25 Å²	25	47.8 Å²	47.8	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-41.8	179.7	171.5	0	0	0	0	110.7	I94 L103 A126	I94-V98 HydrophobicContact CG2-CG2 4.14Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 3.46Å; V98-L103 HydrophobicContact CB-CD1 4.44Å; V98-L103 HydrophobicContact CG1-CB 4.18Å; V98-L103 HydrophobicContact CG1-CD1 4.41Å; V98-L103 HydrophobicContact CG2-CD1 4.25Å; V98-L103 PolarHBondContact O-N 3.19Å; V98-A126 HydrophobicContact CG1-CB 4.03Å
99	F	98.1	Very high	97.6	Very high	160 Å²	160	47.2 Å²	47.2	70%	0.702	24%	0.238	S	C	*	.	H	α-helix	trans	-69.5	-50.8	178.5	-173.9	-99.9	0	0	0	112.8	S95 M96 I97 L101 D102	S95-F99 WeakPolarHBondContact O-CB 3.42Å; S95-F99 PolarHBondContact O-N 2.81Å; M96-F99 PolarHBondContact O-N 2.87Å; I97-F99 PolarHBondContact O-N 2.99Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 2.89Å; F99-D102 PolarHBondContact O-N 3.01Å
100	Q	98.3	Very high	97.7	Very high	38 Å²	38	46.9 Å²	46.9	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-22.1	-176.1	-71.7	-69.3	-2.1	0	0	113.8	M96 I97 D102 R205 F302	M96-Q100 HydrophobicContact CG-CG 3.91Å; M96-Q100 VanDerWaalsContact O-CB 3.26Å; M96-Q100 WeakPolarHBondContact O-CB 3.31Å; M96-Q100 VanDerWaalsContact O-CG 3.25Å; M96-Q100 WeakPolarHBondContact O-CG 3.42Å; M96-Q100 PolarHBondContact O-N 2.69Å; M96-Q100 HydrophobicContact SD-CG 3.63Å; I97-Q100 PolarHBondContact O-N 2.95Å; Q100-D102 VanDerWaalsContact C-N 3.32Å; Q100-R205 PolarHBondContact O-NE 2.92Å; Q100-R205 PolarHBondContact O-NH2 3.33Å; Q100-R205 VanDerWaalsContact O-NH2 3.09Å; Q100-F302 HydrophobicContact CB-CD1 3.55Å; Q100-F302 HydrophobicContact CB-CD2 3.88Å; Q100-F302 HydrophobicContact CB-CE1 3.48Å; Q100-F302 VanDerWaalsContact CB-CE1 3.48Å; Q100-F302 HydrophobicContact CB-CE2 3.81Å; Q100-F302 HydrophobicContact CB-CG 3.75Å; Q100-F302 HydrophobicContact CB-CZ 3.6Å; Q100-F302 HydrophobicContact CG-CD1 4.43Å; Q100-F302 HydrophobicContact CG-CD2 3.87Å; Q100-F302 HydrophobicContact CG-CE1 4.27Å; Q100-F302 HydrophobicContact CG-CE2 3.67Å; Q100-F302 HydrophobicContact CG-CG 4.24Å; Q100-F302 HydrophobicContact CG-CZ 3.89Å
101	L	98.5	Very high	97.8	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.4	172.7	-68.1	-176.7	0	0	0	113.8	I97 F99 L103 A179 F181 R205 F302	I97-L101 HydrophobicContact CG2-CD1 3.65Å; I97-L101 HydrophobicContact CG2-CG 4.22Å; I97-L101 VanDerWaalsContact O-CB 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.26Å; I97-L101 VanDerWaalsContact O-CG 3.26Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.31Å; F99-L101 VanDerWaalsContact C-N 3.26Å; F99-L101 PolarHBondContact O-N 2.89Å; L101-L103 HydrophobicContact CB-CD1 4.5Å; L101-L103 HydrophobicContact CB-CD2 3.7Å; L101-L103 HydrophobicContact CB-CG 3.78Å; L101-L103 HydrophobicContact CD1-CD2 4.47Å; L101-L103 PolarHBondContact O-N 3.15Å; L101-A179 HydrophobicContact CB-CB 4.11Å; L101-A179 HydrophobicContact CD2-CB 4.42Å; L101-F181 HydrophobicContact CD1-CB 4.03Å; L101-F181 HydrophobicContact CD1-CD2 4.08Å; L101-F181 HydrophobicContact CD1-CG 4.45Å; L101-R205 HydrophobicContact CB-CB 4.49Å; L101-R205 HydrophobicContact CD2-CB 3.93Å; L101-F302 HydrophobicContact CD2-CD1 4.3Å; L101-F302 HydrophobicContact CG-CE1 4.5Å
102	D	97.9	Very high	98	Very high	88 Å²	88	40.4 Å²	40.4	47%	0.471	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.4	-176.5	-171.1	33.8	0	0	0	112	F99 Q100 R104 R205	F99-D102 PolarHBondContact O-N 3.01Å; Q100-D102 VanDerWaalsContact C-N 3.32Å; D102-R104 PolarHBondContact O-N 2.87Å; D102-R104 IonicContact OD1-NH1 3.24Å; D102-R104 IonicContact OD2-CZ 2.64Å; D102-R104 IonicContact OD2-NH1 3.96Å; D102-R104 PolarHBondContact OD2-NH1 3.27Å; D102-R104 IonicContact OD2-NH2 2.69Å; D102-R205 HydrophobicContact CB-CG 4.41Å
103	L	98.3	Very high	98.1	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	21%	0.205	C	C	.	.			trans	-72.3	127	-179.4	-57.4	-170.6	0	0	0	110.2	V98 L101 V109 I123 A126 A179	V98-L103 HydrophobicContact CB-CD1 4.44Å; V98-L103 HydrophobicContact CG1-CB 4.18Å; V98-L103 HydrophobicContact CG1-CD1 4.41Å; V98-L103 HydrophobicContact CG2-CD1 4.25Å; V98-L103 PolarHBondContact O-N 3.19Å; L101-L103 HydrophobicContact CB-CD1 4.5Å; L101-L103 HydrophobicContact CB-CD2 3.7Å; L101-L103 HydrophobicContact CB-CG 3.78Å; L101-L103 HydrophobicContact CD1-CD2 4.47Å; L101-L103 PolarHBondContact O-N 3.15Å; L103-V109 HydrophobicContact CD2-CG1 4.5Å; L103-V109 HydrophobicContact CD2-CG2 3.6Å; L103-I123 HydrophobicContact CD1-CB 4.33Å; L103-I123 HydrophobicContact CD1-CG1 3.86Å; L103-I123 HydrophobicContact CD1-CG2 4.2Å; L103-A126 HydrophobicContact CB-CB 4.05Å; L103-A179 HydrophobicContact CD2-CB 3.68Å
104	R	97.9	Very high	98.1	Very high	143 Å²	143	39.3 Å²	39.3	54%	0.54	21%	0.206	S	C	.	.			trans	-145.1	170.6	-179.1	58.4	177.9	173.7	-118.4	-5.3	110.7	D102 G106 S107 A126 V127	D102-R104 PolarHBondContact O-N 2.87Å; D102-R104 IonicContact OD1-NH1 3.24Å; D102-R104 IonicContact OD2-CZ 2.64Å; D102-R104 IonicContact OD2-NH1 3.96Å; D102-R104 PolarHBondContact OD2-NH1 3.27Å; D102-R104 IonicContact OD2-NH2 2.69Å; R104-G106 PolarHBondContact O-N 2.83Å; R104-S107 WeakPolarHBondContact CG-OG 3.26Å; R104-S107 PolarHBondContact N-OG 2.73Å; R104-S107 WeakPolarHBondContact O-CB 3.38Å; R104-S107 PolarHBondContact O-N 3.44Å; R104-S107 PolarHBondContact O-OG 3.21Å; R104-S107 VanDerWaalsContact O-OG 3.08Å; R104-A126 CarbonylContact C-O 3.58Å; R104-V127 WeakPolarHBondContact O-CA 3.47Å
105	I	98.2	Very high	98	Very high	117 Å²	117	39.6 Å²	39.6	60%	0.6	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	124.4	176.9	-59	179	0	0	0	109.5	A126 A128	I105-A126 PolarHBondContact N-O 2.99Å; I105-A128 WeakPolarHBondContact CG1-O 3.19Å; I105-A128 WeakPolarHBondContact CG2-O 3.38Å
106	G	97.9	Very high	97.9	Very high	30 Å²	30	36.4 Å²	36.4	31%	0.309	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-5.8	-179.9	0	0	0	0	0	115.8	R104 V127	R104-G106 PolarHBondContact O-N 2.83Å; G106-V127 PolarHBondContact N-O 2.94Å
107	S	98.4	Very high	97.9	Very high	7 Å²	7	34 Å²	34	5%	0.049	18%	0.176	C	C	.	.			trans	-61.8	138.6	174.7	-64	0	0	0	0	111.2	R104 G131 M132	R104-S107 WeakPolarHBondContact CG-OG 3.26Å; R104-S107 PolarHBondContact N-OG 2.73Å; R104-S107 WeakPolarHBondContact O-CB 3.38Å; R104-S107 PolarHBondContact O-N 3.44Å; R104-S107 PolarHBondContact O-OG 3.21Å; R104-S107 VanDerWaalsContact O-OG 3.08Å; S107-G131 VanDerWaalsContact O-CA 3.29Å; S107-G131 WeakPolarHBondContact O-CA 3.29Å; S107-M132 PolarHBondContact O-N 2.99Å
108	I	98.5	Very high	97.8	Very high	44 Å²	44	34.2 Å²	34.2	23%	0.226	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.5	171.8	-58.4	177.2	0	0	0	107.9	M132 Y134 C176 V177 D178 A179	I108-M132 WeakPolarHBondContact CA-O 3.43Å; I108-M132 HydrophobicContact CG1-CB 4.46Å; I108-M132 HydrophobicContact CG2-CB 4.37Å; I108-Y134 HydrophobicContact CG2-CD2 3.99Å; I108-Y134 HydrophobicContact CG2-CE2 3.6Å; I108-C176 WeakPolarHBondContact CG2-O 3.4Å; I108-V177 HydrophobicContact CG2-CB 4.49Å; I108-V177 HydrophobicContact CG2-CG1 4.17Å; I108-V177 CarbonylContact O-C 3.58Å; I108-D178 PolarHBondContact N-OD2 2.9Å; I108-D178 PolarHBondContact O-N 2.71Å; I108-A179 PolarHBondContact O-N 2.67Å
109	V	98.8	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.7	-171.9	-171.6	0	0	0	0	110	L103 I123 V127 M132 L133 Y134 A179	L103-V109 HydrophobicContact CD2-CG1 4.5Å; L103-V109 HydrophobicContact CD2-CG2 3.6Å; V109-I123 HydrophobicContact CB-CG2 3.98Å; V109-I123 HydrophobicContact CG1-CD1 4.22Å; V109-I123 HydrophobicContact CG1-CG2 4.08Å; V109-I123 HydrophobicContact CG2-CG2 3.97Å; V109-V127 HydrophobicContact CG2-CG1 3.97Å; V109-M132 PolarHBondContact N-O 3.43Å; V109-L133 HydrophobicContact CB-CD1 4.3Å; V109-L133 HydrophobicContact CG1-CD1 4.39Å; V109-L133 CarbonylContact O-C 3.54Å; V109-L133 WeakPolarHBondContact O-CA 3.28Å; V109-Y134 PolarHBondContact O-N 3.22Å; V109-A179 WeakPolarHBondContact CA-O 3.27Å; V109-A179 HydrophobicContact CG1-CB 4.5Å; V109-A179 HydrophobicContact CG2-CB 4.5Å
110	A	98.7	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	164.3	0	0	0	0	0	110.5	Y134 Y136 F171 L173 V177 A179 L180 F181	A110-Y134 CarbonylContact C-O 3.55Å; A110-Y134 WeakPolarHBondContact CA-O 3.33Å; A110-Y136 HydrophobicContact CB-CE2 4.41Å; A110-F171 HydrophobicContact CB-CD1 4.24Å; A110-F171 HydrophobicContact CB-CE1 4.26Å; A110-L173 HydrophobicContact CB-CD1 4.46Å; A110-V177 HydrophobicContact CB-CG1 4.07Å; A110-A179 PolarHBondContact N-O 3.4Å; A110-L180 HydrophobicContact CB-CD1 3.96Å; A110-L180 HydrophobicContact CB-CG 4Å; A110-L180 CarbonylContact O-C 3.55Å; A110-L180 VanDerWaalsContact O-CA 3.26Å; A110-L180 WeakPolarHBondContact O-CA 3.41Å; A110-F181 PolarHBondContact O-N 2.91Å
111	E	98.7	Very high	97.8	Very high	4 Å²	4	24 Å²	24	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	176.9	177.6	-175.6	-141.8	0	0	108.2	V114 L119 S120 I123 L133 Y134 Y136 F181	E111-V114 HydrophobicContact CG-CG2 4.49Å; E111-L119 WeakPolarHBondContact OE1-CB 3.37Å; E111-L119 WeakPolarHBondContact OE1-CD2 3.32Å; E111-L119 WeakPolarHBondContact OE1-CG 3.33Å; E111-S120 PolarHBondContact OE1-N 3.19Å; E111-S120 PolarHBondContact OE1-OG 3.36Å; E111-S120 VanDerWaalsContact OE2-CB 3.32Å; E111-S120 WeakPolarHBondContact OE2-CB 3Å; E111-S120 PolarHBondContact OE2-OG 2.89Å; E111-I123 HydrophobicContact CB-CD1 4.41Å; E111-L133 HydrophobicContact CB-CD1 3.87Å; E111-Y134 PolarHBondContact N-O 2.82Å; E111-Y136 WeakPolarHBondContact O-CD2 3.38Å; E111-Y136 PolarHBondContact O-N 3.46Å; E111-F181 WeakPolarHBondContact CA-O 3.35Å
112	A	98.4	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	173.2	0	0	0	0	0	111.4	V166 F171 F181 L182 D183 L184	A112-V166 HydrophobicContact CB-CB 4.37Å; A112-V166 HydrophobicContact CB-CG1 4.01Å; A112-V166 HydrophobicContact CB-CG2 3.55Å; A112-F171 HydrophobicContact CB-CE1 3.91Å; A112-F171 HydrophobicContact CB-CZ 4.06Å; A112-F181 PolarHBondContact N-O 2.83Å; A112-L182 HydrophobicContact CB-CD2 3.88Å; A112-D183 PolarHBondContact O-N 3.46Å; A112-L184 HydrophobicContact CB-CD1 4.06Å
113	G	96.5	Very high	97.9	Very high	16 Å²	16	19.7 Å²	19.7	17%	0.165	11%	0.107	C	C	.	.			trans	90.7	54.1	-158.8	0	0	0	0	0	110.9	G115 Y136 D183	G113-G115 PolarHBondContact O-N 3.17Å; G113-Y136 PolarHBondContact N-O 3.39Å; G113-D183 WeakPolarHBondContact CA-O 2.99Å
114	V	96.8	Very high	97.9	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.036	10%	0.103	C	C	.	.			trans	-59.6	-36.5	179.2	166.7	0	0	0	0	111.7	E111 S116 G117 A135 Y136 D137 V146	E111-V114 HydrophobicContact CG-CG2 4.49Å; V114-S116 PolarHBondContact O-N 3.06Å; V114-G117 PolarHBondContact O-N 3.3Å; V114-A135 HydrophobicContact CG2-CB 3.53Å; V114-Y136 WeakPolarHBondContact CG2-O 3.33Å; V114-Y136 PolarHBondContact N-O 2.87Å; V114-Y136 VanDerWaalsContact N-O 3.16Å; V114-D137 HydrophobicContact CB-CB 4.39Å; V114-V146 HydrophobicContact CG1-CB 4.08Å; V114-V146 HydrophobicContact CG1-CG1 3.72Å; V114-V146 HydrophobicContact CG1-CG2 3.88Å
115	G	95.8	Very high	97.9	Very high	9 Å²	9	17 Å²	17	9%	0.093	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-121.3	175.5	0	0	0	0	0	111.6	G113 D137	G113-G115 PolarHBondContact O-N 3.17Å; G115-D137 PolarHBondContact N-OD2 2.79Å
116	S	95.7	Very high	97.9	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.028	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.4	178	-45.1	0	0	0	0	113.6	H85 T86 V114 S118	H85-S116 PolarHBondContact N-OG 3.27Å; T86-S116 PolarHBondContact N-OG 3.17Å; T86-S116 VanDerWaalsContact N-OG 3.15Å; T86-S116 PolarHBondContact OG1-N 2.69Å; T86-S116 PolarHBondContact OG1-OG 3.05Å; T86-S116 VanDerWaalsContact OG1-OG 3.05Å; V114-S116 PolarHBondContact O-N 3.06Å; S116-S118 VanDerWaalsContact C-N 3.35Å; S116-S118 PolarHBondContact O-N 2.86Å
117	G	96.9	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	73.4	16.9	174.2	0	0	0	0	0	116	V114 H121	V114-G117 PolarHBondContact O-N 3.3Å; G117-H121 PolarHBondContact O-N 3.38Å; G117-H121 PolarHBondContact O-ND1 3.13Å
118	S	97.9	Very high	97.8	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-54.1	-179.2	-177.1	0	0	0	0	112.4	T79 L89 S116	T79-S118 WeakPolarHBondContact CG2-OG 3.34Å; T79-S118 PolarHBondContact OG1-OG 3.13Å; L89-S118 PolarHBondContact O-OG 2.94Å; S116-S118 VanDerWaalsContact C-N 3.35Å; S116-S118 PolarHBondContact O-N 2.86Å
119	L	98.3	Very high	97.7	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-42	176.7	171.4	62.4	0	0	0	110.9	L89 I94 I97 E111 H121 S122 I123 F181	L89-L119 HydrophobicContact CD1-CB 4.35Å; L89-L119 HydrophobicContact CD1-CD2 3.94Å; I94-L119 HydrophobicContact CB-CD1 4.45Å; I94-L119 HydrophobicContact CD1-CB 4.49Å; I94-L119 HydrophobicContact CG1-CB 4.4Å; I94-L119 HydrophobicContact CG1-CD1 4.09Å; I94-L119 HydrophobicContact CG2-CD1 4.09Å; I97-L119 HydrophobicContact CB-CD1 4.48Å; I97-L119 HydrophobicContact CD1-CD1 4.48Å; I97-L119 HydrophobicContact CD1-CD2 4.47Å; I97-L119 HydrophobicContact CG2-CD1 4.03Å; I97-L119 HydrophobicContact CG2-CD2 4.37Å; E111-L119 WeakPolarHBondContact OE1-CB 3.37Å; E111-L119 WeakPolarHBondContact OE1-CD2 3.32Å; E111-L119 WeakPolarHBondContact OE1-CG 3.33Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 3.24Å; L119-S122 WeakPolarHBondContact O-CA 3.45Å; L119-S122 WeakPolarHBondContact O-CB 3.32Å; L119-S122 PolarHBondContact O-N 3.41Å; L119-I123 HydrophobicContact CD1-CD1 4.13Å; L119-I123 HydrophobicContact CD1-CG1 4Å; L119-I123 HydrophobicContact CD2-CD1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.73Å; L119-I123 HydrophobicContact CG-CG1 4.1Å; L119-I123 PolarHBondContact O-N 2.7Å; L119-F181 HydrophobicContact CD2-CB 4.49Å; L119-F181 HydrophobicContact CD2-CD1 3.22Å; L119-F181 HydrophobicContact CD2-CE1 3.47Å; L119-F181 VanDerWaalsContact CD2-CE1 3.47Å; L119-F181 HydrophobicContact CD2-CG 3.88Å; L119-F181 HydrophobicContact CD2-CZ 4.31Å
120	S	98.4	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-50.8	-46.1	-179.9	-40.8	0	0	0	0	113.3	E111 S122 I123 L124	E111-S120 PolarHBondContact OE1-N 3.19Å; E111-S120 PolarHBondContact OE1-OG 3.36Å; E111-S120 VanDerWaalsContact OE2-CB 3.32Å; E111-S120 WeakPolarHBondContact OE2-CB 3Å; E111-S120 PolarHBondContact OE2-OG 2.89Å; S120-S122 VanDerWaalsContact C-N 3.28Å; S120-S122 PolarHBondContact O-N 2.85Å; S120-I123 PolarHBondContact O-N 2.78Å; S120-L124 WeakPolarHBondContact O-CB 3.48Å; S120-L124 WeakPolarHBondContact O-CD1 3.16Å; S120-L124 VanDerWaalsContact O-CG 3.27Å; S120-L124 WeakPolarHBondContact O-CG 3.24Å; S120-L124 PolarHBondContact O-N 2.81Å
121	H	98	Very high	97.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-33.5	177.7	-77.2	80.2	0	0	0	112.9	F73 P75 W78 G117 L119 R125 F150 H153 F155	F73-H121 AromaticContact CZ-CD2 3.66Å; P75-H121 HydrophobicContact CB-CB 4.23Å; P75-H121 HydrophobicContact CG-CB 4.42Å; P75-H121 WeakPolarHBondContact CG-O 3.37Å; W78-H121 AromaticContact CD1-CD2 3.99Å; W78-H121 AromaticContact CD1-CE1 3.95Å; W78-H121 AromaticContact CD1-CG 3.56Å; W78-H121 AromaticContact CD1-ND1 3.55Å; W78-H121 AromaticContact NE1-CE1 3.34Å; W78-H121 PolarHBondContact NE1-CE1 3.3Å; W78-H121 VanDerWaalsContact NE1-CE1 3.34Å; W78-H121 AromaticContact NE1-CG 3.77Å; W78-H121 AromaticContact NE1-ND1 3.29Å; W78-H121 PolarHBondContact NE1-ND1 3.13Å; W78-H121 AromaticContact NE1-NE2 3.84Å; G117-H121 PolarHBondContact O-N 3.38Å; G117-H121 PolarHBondContact O-ND1 3.13Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 3.24Å; H121-R125 PolarHBondContact O-N 3.08Å; H121-R125 VanDerWaalsContact O-N 3.08Å; H121-F150 AromaticContact CE1-CD1 3.92Å; H121-F150 AromaticContact CE1-CE1 3.83Å; H121-H153 AromaticContact CD2-ND1 3.62Å; H121-H153 AromaticContact CE1-ND1 3.93Å; H121-H153 AromaticContact NE2-CE1 3.74Å; H121-H153 AromaticContact NE2-CG 3.93Å; H121-H153 AromaticContact NE2-ND1 2.89Å; H121-H153 PolarHBondContact NE2-ND1 3.21Å; H121-F155 AromaticContact CD2-CE2 3.92Å
122	S	98.4	Very high	97.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-74.4	-36.8	177.1	-60.1	0	0	0	0	111.9	P75 I94 L119 S120 A126	P75-S122 VanDerWaalsContact CB-OG 3.27Å; P75-S122 WeakPolarHBondContact CB-OG 3.46Å; I94-S122 WeakPolarHBondContact CG2-OG 3.41Å; L119-S122 WeakPolarHBondContact O-CA 3.45Å; L119-S122 WeakPolarHBondContact O-CB 3.32Å; L119-S122 PolarHBondContact O-N 3.41Å; S120-S122 VanDerWaalsContact C-N 3.28Å; S120-S122 PolarHBondContact O-N 2.85Å; S122-A126 PolarHBondContact O-N 2.84Å
123	I	98.7	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-51.7	170	-66.2	171.3	0	0	0	109.6	L103 V109 E111 L119 S120 R125 A126 V127 L133	L103-I123 HydrophobicContact CD1-CB 4.33Å; L103-I123 HydrophobicContact CD1-CG1 3.86Å; L103-I123 HydrophobicContact CD1-CG2 4.2Å; V109-I123 HydrophobicContact CB-CG2 3.98Å; V109-I123 HydrophobicContact CG1-CD1 4.22Å; V109-I123 HydrophobicContact CG1-CG2 4.08Å; V109-I123 HydrophobicContact CG2-CG2 3.97Å; E111-I123 HydrophobicContact CB-CD1 4.41Å; L119-I123 HydrophobicContact CD1-CD1 4.13Å; L119-I123 HydrophobicContact CD1-CG1 4Å; L119-I123 HydrophobicContact CD2-CD1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.73Å; L119-I123 HydrophobicContact CG-CG1 4.1Å; L119-I123 PolarHBondContact O-N 2.7Å; S120-I123 PolarHBondContact O-N 2.78Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.82Å; I123-A126 WeakPolarHBondContact O-CA 3.24Å; I123-A126 WeakPolarHBondContact O-CB 3.42Å; I123-A126 PolarHBondContact O-N 3.35Å; I123-V127 HydrophobicContact CG2-CG1 4.24Å; I123-V127 WeakPolarHBondContact O-CG1 3.32Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.31Å; I123-L133 HydrophobicContact CD1-CD1 4.34Å; I123-L133 HydrophobicContact CG2-CD1 4.12Å
124	L	98.4	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-44.3	-177.4	-75.9	162.6	0	0	0	112.2	S120 A126 V127 A128 L133 F150 F155 M158 T159	S120-L124 WeakPolarHBondContact O-CB 3.48Å; S120-L124 WeakPolarHBondContact O-CD1 3.16Å; S120-L124 VanDerWaalsContact O-CG 3.27Å; S120-L124 WeakPolarHBondContact O-CG 3.24Å; S120-L124 PolarHBondContact O-N 2.81Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 3.34Å; L124-V127 PolarHBondContact O-N 3.19Å; L124-A128 WeakPolarHBondContact O-CB 3.38Å; L124-A128 PolarHBondContact O-N 3.36Å; L124-L133 HydrophobicContact CD1-CD2 4.13Å; L124-L133 HydrophobicContact CD2-CB 3.92Å; L124-L133 HydrophobicContact CD2-CD2 4.32Å; L124-L133 HydrophobicContact CG-CB 4.41Å; L124-L133 HydrophobicContact CG-CD2 3.94Å; L124-F150 HydrophobicContact CD1-CD1 3.8Å; L124-F150 HydrophobicContact CD1-CE1 3.55Å; L124-F150 HydrophobicContact CD1-CZ 4.07Å; L124-F155 HydrophobicContact CB-CD1 3.89Å; L124-F155 HydrophobicContact CB-CD2 4.4Å; L124-F155 HydrophobicContact CB-CE1 3.92Å; L124-F155 HydrophobicContact CB-CE2 4.43Å; L124-F155 HydrophobicContact CB-CG 4.15Å; L124-F155 HydrophobicContact CB-CZ 4.2Å; L124-F155 HydrophobicContact CD1-CB 3.8Å; L124-F155 HydrophobicContact CD1-CD1 4.32Å; L124-F155 HydrophobicContact CD1-CD2 3.92Å; L124-F155 HydrophobicContact CD1-CG 3.76Å; L124-F155 HydrophobicContact CD2-CB 4.27Å; L124-F155 HydrophobicContact CD2-CD1 4.27Å; L124-F155 HydrophobicContact CD2-CG 4.38Å; L124-F155 HydrophobicContact CG-CD1 4.38Å; L124-F155 HydrophobicContact CG-CG 4.32Å; L124-M158 HydrophobicContact CD2-CB 4.04Å; L124-T159 HydrophobicContact CD1-CG2 3.74Å; L124-T159 HydrophobicContact CD2-CG2 3.52Å; L124-T159 HydrophobicContact CG-CG2 4.2Å
125	R	97.7	Very high	97.8	Very high	104 Å²	104	25 Å²	25	39%	0.392	13%	0.131	S	C	.	.	H	α-helix	trans	-57.2	-44.4	172.3	178.8	-167.5	60.4	-157.7	-2.7	112.3	P75 E76 H121 I123 V127	P75-R125 HydrophobicContact CG-CB 3.9Å; P75-R125 HydrophobicContact CG-CG 4.47Å; E76-R125 IonicContact OE1-CZ 3.8Å; E76-R125 VanDerWaalsContact OE1-CZ 3.24Å; E76-R125 IonicContact OE1-NH1 3.51Å; E76-R125 PolarHBondContact OE1-NH1 3.08Å; E76-R125 IonicContact OE1-NH2 3.24Å; E76-R125 PolarHBondContact OE1-NH2 3.11Å; E76-R125 IonicContact OE2-CZ 2.7Å; E76-R125 IonicContact OE2-NH1 3.09Å; E76-R125 PolarHBondContact OE2-NH1 2.85Å; H121-R125 PolarHBondContact O-N 3.08Å; H121-R125 VanDerWaalsContact O-N 3.08Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.82Å; R125-V127 VanDerWaalsContact C-N 3.34Å
126	A	98.2	Very high	97.9	Very high	21 Å²	21	24.7 Å²	24.7	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-68.6	-33.5	-176.5	0	0	0	0	0	112.7	V98 L103 R104 I105 S122 I123 L124	V98-A126 HydrophobicContact CG1-CB 4.03Å; L103-A126 HydrophobicContact CB-CB 4.05Å; R104-A126 CarbonylContact C-O 3.58Å; I105-A126 PolarHBondContact N-O 2.99Å; S122-A126 PolarHBondContact O-N 2.84Å; I123-A126 WeakPolarHBondContact O-CA 3.24Å; I123-A126 WeakPolarHBondContact O-CB 3.42Å; I123-A126 PolarHBondContact O-N 3.35Å; L124-A126 VanDerWaalsContact C-N 3.32Å; L124-A126 PolarHBondContact O-N 3.34Å
127	V	98.4	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-97.4	-14.5	-174.7	-49.6	0	0	0	0	114	R104 G106 V109 I123 L124 R125 K130 G131 M158	R104-V127 WeakPolarHBondContact O-CA 3.47Å; G106-V127 PolarHBondContact N-O 2.94Å; V109-V127 HydrophobicContact CG2-CG1 3.97Å; I123-V127 HydrophobicContact CG2-CG1 4.24Å; I123-V127 WeakPolarHBondContact O-CG1 3.32Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.31Å; L124-V127 PolarHBondContact O-N 3.19Å; R125-V127 VanDerWaalsContact C-N 3.34Å; V127-K130 PolarHBondContact O-N 2.88Å; V127-G131 WeakPolarHBondContact O-CA 3.29Å; V127-G131 PolarHBondContact O-N 2.85Å; V127-M158 HydrophobicContact CG2-CE 3.92Å
128	A	97.5	Very high	98	Very high	27 Å²	27	28.7 Å²	28.7	22%	0.223	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	150	175.2	0	0	0	0	0	113.5	I105 L124 M158	I105-A128 WeakPolarHBondContact CG1-O 3.19Å; I105-A128 WeakPolarHBondContact CG2-O 3.38Å; L124-A128 WeakPolarHBondContact O-CB 3.38Å; L124-A128 PolarHBondContact O-N 3.36Å; A128-M158 HydrophobicContact CB-CE 3.9Å; A128-M158 HydrophobicContact CB-SD 3.92Å
129	P	96.4	Very high	98	Very high	99 Å²	99	30.9 Å²	30.9	64%	0.643	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.3	2	-2.2	34.9	-33.1	0	0	0	113.9
130	K	96.6	Very high	97.8	Very high	173 Å²	173	34 Å²	34	75%	0.752	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	-7.6	-168.5	-63	-175.5	-179.5	178.7	0	114.8	V127	V127-K130 PolarHBondContact O-N 2.88Å
131	G	97.9	Very high	97.7	Very high	5 Å²	5	38.6 Å²	38.6	5%	0.052	21%	0.213	C	C	.	.			trans	-81.7	-177.9	180	0	0	0	0	0	113.5	S107 V127 M158	S107-G131 VanDerWaalsContact O-CA 3.29Å; S107-G131 WeakPolarHBondContact O-CA 3.29Å; V127-G131 WeakPolarHBondContact O-CA 3.29Å; V127-G131 PolarHBondContact O-N 2.85Å; G131-M158 WeakPolarHBondContact O-CE 3.05Å
132	M	98.5	Very high	97.6	Very high	40 Å²	40	41 Å²	41	20%	0.197	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.7	179.4	-179.5	63.6	58.9	0	0	109.6	S107 I108 V109 Y134 M158 K160	S107-M132 PolarHBondContact O-N 2.99Å; I108-M132 WeakPolarHBondContact CA-O 3.43Å; I108-M132 HydrophobicContact CG1-CB 4.46Å; I108-M132 HydrophobicContact CG2-CB 4.37Å; V109-M132 PolarHBondContact N-O 3.43Å; M132-Y134 HydrophobicContact CG-CD2 4.12Å; M132-Y134 HydrophobicContact CG-CE2 3.71Å; M132-M158 CarbonylContact C-O 3.52Å; M132-M158 WeakPolarHBondContact CA-O 3.44Å; M132-M158 VanDerWaalsContact SD-O 3.35Å; M132-K160 HydrophobicContact SD-CD 4.35Å; M132-K160 HydrophobicContact SD-CG 4.11Å
133	L	98.7	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.9	172.2	175.6	59.8	0	0	0	110.1	V109 E111 I123 L124 A135 F150 M158 T159 K160	V109-L133 HydrophobicContact CB-CD1 4.3Å; V109-L133 HydrophobicContact CG1-CD1 4.39Å; V109-L133 CarbonylContact O-C 3.54Å; V109-L133 WeakPolarHBondContact O-CA 3.28Å; E111-L133 HydrophobicContact CB-CD1 3.87Å; I123-L133 HydrophobicContact CD1-CD1 4.34Å; I123-L133 HydrophobicContact CG2-CD1 4.12Å; L124-L133 HydrophobicContact CD1-CD2 4.13Å; L124-L133 HydrophobicContact CD2-CB 3.92Å; L124-L133 HydrophobicContact CD2-CD2 4.32Å; L124-L133 HydrophobicContact CG-CB 4.41Å; L124-L133 HydrophobicContact CG-CD2 3.94Å; L133-A135 HydrophobicContact CD2-CB 4.49Å; L133-A135 HydrophobicContact CG-CB 4.24Å; L133-F150 HydrophobicContact CD2-CZ 4.33Å; L133-M158 PolarHBondContact N-O 3.09Å; L133-T159 HydrophobicContact CB-CG2 4.32Å; L133-T159 CarbonylContact O-C 3.58Å; L133-T159 WeakPolarHBondContact O-CA 3.37Å; L133-K160 PolarHBondContact O-N 2.79Å
134	Y	98.7	Very high	97.4	Very high	30 Å²	30	44.7 Å²	44.7	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.5	165	-65.7	-95.1	0	0	0	108.7	I108 V109 A110 E111 M132 K160 L173	I108-Y134 HydrophobicContact CG2-CD2 3.99Å; I108-Y134 HydrophobicContact CG2-CE2 3.6Å; V109-Y134 PolarHBondContact O-N 3.22Å; A110-Y134 CarbonylContact C-O 3.55Å; A110-Y134 WeakPolarHBondContact CA-O 3.33Å; E111-Y134 PolarHBondContact N-O 2.82Å; M132-Y134 HydrophobicContact CG-CD2 4.12Å; M132-Y134 HydrophobicContact CG-CE2 3.71Å; Y134-K160 HydrophobicContact CD1-CB 3.88Å; Y134-K160 HydrophobicContact CD1-CD 3.83Å; Y134-K160 HydrophobicContact CE1-CB 4.2Å; Y134-K160 HydrophobicContact CE1-CD 3.25Å; Y134-K160 HydrophobicContact CE1-CG 4.34Å; Y134-K160 PolarHBondContact OH-NZ 2.8Å; Y134-L173 HydrophobicContact CD1-CD1 4Å; Y134-L173 HydrophobicContact CD1-CD2 3.9Å; Y134-L173 HydrophobicContact CD2-CD1 4.09Å; Y134-L173 HydrophobicContact CE1-CD1 4.44Å; Y134-L173 HydrophobicContact CE1-CD2 3.66Å; Y134-L173 HydrophobicContact CG-CD1 3.82Å
135	A	98.3	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.1	-169.7	0	0	0	0	0	109.7	V114 L133 F150 K160 V161 Q162	V114-A135 HydrophobicContact CG2-CB 3.53Å; L133-A135 HydrophobicContact CD2-CB 4.49Å; L133-A135 HydrophobicContact CG-CB 4.24Å; A135-F150 HydrophobicContact CB-CE2 4.4Å; A135-K160 PolarHBondContact N-O 2.94Å; A135-V161 HydrophobicContact CB-CG2 4.18Å; A135-V161 CarbonylContact O-C 3.59Å; A135-V161 WeakPolarHBondContact O-CA 3.33Å; A135-Q162 PolarHBondContact O-N 2.98Å
136	Y	98.5	Very high	97.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.7	-175.6	-59.4	-98.6	0	0	0	112.7	A110 E111 G113 V114 Q162 V166 F171 L173	A110-Y136 HydrophobicContact CB-CE2 4.41Å; E111-Y136 WeakPolarHBondContact O-CD2 3.38Å; E111-Y136 PolarHBondContact O-N 3.46Å; G113-Y136 PolarHBondContact N-O 3.39Å; V114-Y136 WeakPolarHBondContact CG2-O 3.33Å; V114-Y136 PolarHBondContact N-O 2.87Å; V114-Y136 VanDerWaalsContact N-O 3.16Å; Y136-Q162 WeakPolarHBondContact CA-O 3.47Å; Y136-Q162 HydrophobicContact CD1-CB 3.87Å; Y136-Q162 HydrophobicContact CE1-CB 3.86Å; Y136-Q162 HydrophobicContact CE1-CG 4.44Å; Y136-Q162 VanDerWaalsContact CZ-OE1 3.28Å; Y136-Q162 PolarHBondContact OH-OE1 3.39Å; Y136-Q162 VanDerWaalsContact OH-OE1 3.09Å; Y136-V166 HydrophobicContact CD1-CG1 3.85Å; Y136-V166 HydrophobicContact CG-CG1 3.83Å; Y136-F171 AromaticContact CD2-CD1 3.85Å; Y136-F171 HydrophobicContact CD2-CD1 3.85Å; Y136-F171 HydrophobicContact CD2-CE1 4.02Å; Y136-F171 HydrophobicContact CE1-CD1 4.43Å; Y136-F171 AromaticContact CE2-CD1 3.57Å; Y136-F171 HydrophobicContact CE2-CD1 3.57Å; Y136-F171 HydrophobicContact CE2-CE1 4.16Å; Y136-F171 HydrophobicContact CG-CD1 4.43Å; Y136-F171 AromaticContact CZ-CD1 3.9Å; Y136-F171 PolarHBondContact OH-O 3.08Å; Y136-L173 WeakPolarHBondContact OH-CD1 3.38Å; Y136-L173 WeakPolarHBondContact OH-CG 3.27Å
137	D	97.9	Very high	97.2	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.3	169.2	-153.4	-57.1	0	0	0	109.3	V114 G115 D139 R142 L143 Q162 H163 S164	V114-D137 HydrophobicContact CB-CB 4.39Å; G115-D137 PolarHBondContact N-OD2 2.79Å; D137-D139 PolarHBondContact OD1-N 2.86Å; D137-R142 IonicContact OD1-CZ 3.56Å; D137-R142 IonicContact OD1-NE 2.84Å; D137-R142 PolarHBondContact OD1-NE 2.94Å; D137-R142 IonicContact OD1-NH2 3.96Å; D137-R142 PolarHBondContact OD1-NH2 3.22Å; D137-R142 IonicContact OD2-CZ 3.59Å; D137-R142 IonicContact OD2-NE 2.7Å; D137-R142 PolarHBondContact OD2-NE 3.47Å; D137-R142 VanDerWaalsContact OD2-NE 3.09Å; D137-R142 IonicContact OD2-NH2 2.73Å; D137-L143 HydrophobicContact CB-CD1 4.36Å; D137-L143 HydrophobicContact CB-CD2 3.55Å; D137-L143 HydrophobicContact CB-CG 3.83Å; D137-Q162 PolarHBondContact N-O 3.42Å; D137-H163 WeakPolarHBondContact O-CA 3.44Å; D137-S164 PolarHBondContact O-N 2.85Å
138	V	97.1	Very high	97.1	Very high	78 Å²	78	49.7 Å²	49.7	47%	0.473	27%	0.266	S	S	.	.	S	Bend	trans	-88.5	-11.7	176	-65.1	0	0	0	0	112.4	H163 D165	V138-H163 PolarHBondContact O-CD2 3.09Å; V138-H163 PolarHBondContact O-NE2 3Å; V138-D165 HydrophobicContact CG1-CB 3.85Å
139	D	96.4	Very high	97.1	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.273	26%	0.258	S	S	.	.			trans	-106.3	116.7	-177.9	-175.6	-50.9	0	0	0	110.8	D137 C141 R142 L143	D137-D139 PolarHBondContact OD1-N 2.86Å; D139-C141 PolarHBondContact O-N 2.8Å; D139-C141 WeakPolarHBondContact OD1-CA 3.5Å; D139-C141 VanDerWaalsContact OD1-CB 3.31Å; D139-C141 WeakPolarHBondContact OD1-CB 3.38Å; D139-C141 PolarHBondContact OD1-N 2.78Å; D139-R142 HydrophobicContact CB-CB 4.2Å; D139-R142 HydrophobicContact CB-CG 4.1Å; D139-R142 VanDerWaalsContact CB-NH1 3.31Å; D139-R142 VanDerWaalsContact CG-NH1 3.3Å; D139-R142 PolarHBondContact O-N 2.86Å; D139-R142 PolarHBondContact OD1-N 2.92Å; D139-R142 IonicContact OD2-CZ 3.42Å; D139-R142 IonicContact OD2-NH1 3.19Å; D139-R142 PolarHBondContact OD2-NH1 2.84Å; D139-L143 WeakPolarHBondContact O-CG 3.38Å; D139-L143 PolarHBondContact O-N 3.47Å; D139-L143 VanDerWaalsContact O-N 3.15Å
140	T	96	Very high	97.1	Very high	72 Å²	72	44.1 Å²	44.1	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-37.4	-178.7	51	0	0	0	0	112.9	R142 L143 D144 H163	T140-R142 VanDerWaalsContact C-N 3.34Å; T140-R142 PolarHBondContact O-N 3.27Å; T140-L143 PolarHBondContact O-N 3.14Å; T140-D144 VanDerWaalsContact O-CG 3.27Å; T140-D144 PolarHBondContact O-N 2.96Å; T140-H163 WeakPolarHBondContact CG2-CD2 3.34Å
141	C	95.8	Very high	97.1	Very high	97 Å²	97	40.5 Å²	40.5	66%	0.655	22%	0.217	S	C	*	.	H	α-helix	trans	-65.2	-39.2	179	-64.7	0	0	0	0	111.5	D139 D144 S145	D139-C141 PolarHBondContact O-N 2.8Å; D139-C141 WeakPolarHBondContact OD1-CA 3.5Å; D139-C141 VanDerWaalsContact OD1-CB 3.31Å; D139-C141 WeakPolarHBondContact OD1-CB 3.38Å; D139-C141 PolarHBondContact OD1-N 2.78Å; C141-D144 PolarHBondContact O-N 3.01Å; C141-S145 PolarHBondContact O-N 2.94Å; C141-S145 VanDerWaalsContact O-N 3.07Å
142	R	95.5	Very high	97	Very high	52 Å²	52	44.7 Å²	44.7	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-44.1	173.5	-69.5	-161.5	-68.1	-83.6	2.6	111.9	H85 D137 D139 T140 D144 S145 V146	H85-R142 HydrophobicContact CB-CG 4.42Å; D137-R142 IonicContact OD1-CZ 3.56Å; D137-R142 IonicContact OD1-NE 2.84Å; D137-R142 PolarHBondContact OD1-NE 2.94Å; D137-R142 IonicContact OD1-NH2 3.96Å; D137-R142 PolarHBondContact OD1-NH2 3.22Å; D137-R142 IonicContact OD2-CZ 3.59Å; D137-R142 IonicContact OD2-NE 2.7Å; D137-R142 PolarHBondContact OD2-NE 3.47Å; D137-R142 VanDerWaalsContact OD2-NE 3.09Å; D137-R142 IonicContact OD2-NH2 2.73Å; D139-R142 HydrophobicContact CB-CB 4.2Å; D139-R142 HydrophobicContact CB-CG 4.1Å; D139-R142 VanDerWaalsContact CB-NH1 3.31Å; D139-R142 VanDerWaalsContact CG-NH1 3.3Å; D139-R142 PolarHBondContact O-N 2.86Å; D139-R142 PolarHBondContact OD1-N 2.92Å; D139-R142 IonicContact OD2-CZ 3.42Å; D139-R142 IonicContact OD2-NH1 3.19Å; D139-R142 PolarHBondContact OD2-NH1 2.84Å; T140-R142 VanDerWaalsContact C-N 3.34Å; T140-R142 PolarHBondContact O-N 3.27Å; R142-D144 VanDerWaalsContact C-N 3.33Å; R142-D144 PolarHBondContact O-N 2.82Å; R142-S145 PolarHBondContact O-N 2.86Å; R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 3.23Å
143	L	97	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177.8	-66.7	167.8	0	0	0	111.9	D137 D139 T140 V146 R147 V161 H163	D137-L143 HydrophobicContact CB-CD1 4.36Å; D137-L143 HydrophobicContact CB-CD2 3.55Å; D137-L143 HydrophobicContact CB-CG 3.83Å; D139-L143 WeakPolarHBondContact O-CG 3.38Å; D139-L143 PolarHBondContact O-N 3.47Å; D139-L143 VanDerWaalsContact O-N 3.15Å; T140-L143 PolarHBondContact O-N 3.14Å; L143-V146 PolarHBondContact O-N 2.98Å; L143-R147 WeakPolarHBondContact O-CB 3.35Å; L143-R147 VanDerWaalsContact O-CG 3.24Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 3.37Å; L143-V161 HydrophobicContact CB-CG1 3.9Å; L143-V161 HydrophobicContact CD2-CG1 3.29Å; L143-V161 HydrophobicContact CG-CG1 4.14Å; L143-H163 VanDerWaalsContact CD1-CA 3.44Å; L143-H163 HydrophobicContact CD1-CB 3.55Å
144	D	96.8	Very high	96.6	Very high	79 Å²	79	47 Å²	47	42%	0.422	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-42.1	178.3	-68.3	-18.9	0	0	0	111.6	T140 C141 R142 V146 R147 M148	T140-D144 VanDerWaalsContact O-CG 3.27Å; T140-D144 PolarHBondContact O-N 2.96Å; C141-D144 PolarHBondContact O-N 3.01Å; R142-D144 VanDerWaalsContact C-N 3.33Å; R142-D144 PolarHBondContact O-N 2.82Å; D144-V146 PolarHBondContact O-N 3.25Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-NH1 3.54Å; D144-R147 PolarHBondContact OD1-NH1 3.19Å; D144-M148 WeakPolarHBondContact O-CG 3.45Å; D144-M148 PolarHBondContact O-N 3.34Å
145	S	96	Very high	96.5	Very high	29 Å²	29	47.2 Å²	47.2	20%	0.203	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-48.3	174.1	-170.4	0	0	0	0	111.9	H85 C141 R142 M148 D149	H85-S145 PolarHBondContact NE2-OG 3.45Å; C141-S145 PolarHBondContact O-N 2.94Å; C141-S145 VanDerWaalsContact O-N 3.07Å; R142-S145 PolarHBondContact O-N 2.86Å; S145-M148 WeakPolarHBondContact O-CB 3.5Å; S145-M148 PolarHBondContact O-N 3.05Å; S145-D149 PolarHBondContact O-N 2.7Å
146	V	96.7	Very high	96.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-33.1	-176.8	172.8	0	0	0	0	111.9	V114 R142 L143 D144 D149 F150	V114-V146 HydrophobicContact CG1-CB 4.08Å; V114-V146 HydrophobicContact CG1-CG1 3.72Å; V114-V146 HydrophobicContact CG1-CG2 3.88Å; R142-V146 WeakPolarHBondContact O-CG2 3.46Å; R142-V146 PolarHBondContact O-N 3.23Å; L143-V146 PolarHBondContact O-N 2.98Å; D144-V146 PolarHBondContact O-N 3.25Å; V146-D149 PolarHBondContact O-N 3.1Å; V146-F150 HydrophobicContact CG1-CD1 4.15Å; V146-F150 HydrophobicContact CG1-CD2 3.88Å; V146-F150 HydrophobicContact CG1-CE1 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.32Å; V146-F150 HydrophobicContact CG1-CG 4.27Å; V146-F150 HydrophobicContact CG1-CZ 3.16Å; V146-F150 WeakPolarHBondContact O-CB 3.49Å; V146-F150 WeakPolarHBondContact O-CD2 3.44Å; V146-F150 WeakPolarHBondContact O-CG 3.47Å; V146-F150 PolarHBondContact O-N 3.25Å
147	R	97.4	Very high	96.3	Very high	83 Å²	83	56.6 Å²	56.6	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-48.7	169.2	-78.2	171.8	-174.7	132.6	2.1	111.1	L143 D144 D149 F150 D151 V161	L143-R147 WeakPolarHBondContact O-CB 3.35Å; L143-R147 VanDerWaalsContact O-CG 3.24Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 3.37Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-NH1 3.54Å; D144-R147 PolarHBondContact OD1-NH1 3.19Å; R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.24Å; R147-F150 PolarHBondContact O-N 3.19Å; R147-D151 WeakPolarHBondContact O-CB 3.29Å; R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 2.96Å; R147-V161 HydrophobicContact CG-CB 3.72Å; R147-V161 HydrophobicContact CG-CG1 3.81Å; R147-V161 HydrophobicContact CG-CG2 3.81Å; R147-V161 PolarHBondContact NH2-O 3.01Å
148	M	96.4	Very high	96.3	Very high	115 Å²	115	57.1 Å²	57.1	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-38.8	177.7	-70.2	177	66.3	0	0	112.1	D144 S145 R152	D144-M148 WeakPolarHBondContact O-CG 3.45Å; D144-M148 PolarHBondContact O-N 3.34Å; S145-M148 WeakPolarHBondContact O-CB 3.5Å; S145-M148 PolarHBondContact O-N 3.05Å; M148-R152 VanDerWaalsContact O-CB 3.28Å; M148-R152 WeakPolarHBondContact O-CB 3.47Å; M148-R152 PolarHBondContact O-N 3.33Å
149	D	96.6	Very high	96.4	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-42.7	176.3	-68.3	-23.8	0	0	0	111.9	W78 S145 V146 R147 D151 R152 H153	W78-D149 HydrophobicContact CZ2-CB 4.39Å; S145-D149 PolarHBondContact O-N 2.7Å; V146-D149 PolarHBondContact O-N 3.1Å; R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.24Å; D149-D151 VanDerWaalsContact C-N 3.34Å; D149-D151 PolarHBondContact O-N 3.05Å; D149-R152 PolarHBondContact O-N 3.18Å; D149-R152 IonicContact OD1-CZ 2.69Å; D149-R152 IonicContact OD1-NH1 3.45Å; D149-R152 PolarHBondContact OD1-NH1 3.09Å; D149-R152 IonicContact OD1-NH2 2.76Å; D149-H153 WeakPolarHBondContact O-CB 3.31Å; D149-H153 PolarHBondContact O-N 2.95Å; D149-H153 PolarHBondContact O-ND1 2.71Å; D149-H153 VanDerWaalsContact O-ND1 3.16Å
150	F	97.2	Very high	96.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-41.7	174.8	-66.5	-20.8	0	0	0	112.1	H121 L124 L133 A135 V146 R147 H153 G154 F155 T159 V161	H121-F150 AromaticContact CE1-CD1 3.92Å; H121-F150 AromaticContact CE1-CE1 3.83Å; L124-F150 HydrophobicContact CD1-CD1 3.8Å; L124-F150 HydrophobicContact CD1-CE1 3.55Å; L124-F150 HydrophobicContact CD1-CZ 4.07Å; L133-F150 HydrophobicContact CD2-CZ 4.33Å; A135-F150 HydrophobicContact CB-CE2 4.4Å; V146-F150 HydrophobicContact CG1-CD1 4.15Å; V146-F150 HydrophobicContact CG1-CD2 3.88Å; V146-F150 HydrophobicContact CG1-CE1 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.32Å; V146-F150 HydrophobicContact CG1-CG 4.27Å; V146-F150 HydrophobicContact CG1-CZ 3.16Å; V146-F150 WeakPolarHBondContact O-CB 3.49Å; V146-F150 WeakPolarHBondContact O-CD2 3.44Å; V146-F150 WeakPolarHBondContact O-CG 3.47Å; V146-F150 PolarHBondContact O-N 3.25Å; R147-F150 PolarHBondContact O-N 3.19Å; F150-H153 PolarHBondContact O-N 2.93Å; F150-G154 PolarHBondContact O-N 3.04Å; F150-G154 VanDerWaalsContact O-N 3.1Å; F150-F155 HydrophobicContact CB-CB 4.18Å; F150-F155 PolarHBondContact O-N 3.48Å; F150-T159 HydrophobicContact CD1-CG2 4.49Å; F150-T159 HydrophobicContact CD2-CG2 3.57Å; F150-T159 HydrophobicContact CE2-CG2 3.74Å; F150-T159 HydrophobicContact CG-CG2 3.97Å; F150-T159 HydrophobicContact CZ-CG2 4.3Å; F150-V161 HydrophobicContact CD2-CG2 3.73Å; F150-V161 HydrophobicContact CE2-CG2 3.68Å
151	D	96.4	Very high	96.5	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-47.8	175.5	-68.5	-17.4	0	0	0	111.5	R147 D149 H153 G154 S156	R147-D151 WeakPolarHBondContact O-CB 3.29Å; R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 2.96Å; D149-D151 VanDerWaalsContact C-N 3.34Å; D149-D151 PolarHBondContact O-N 3.05Å; D151-H153 VanDerWaalsContact C-N 3.26Å; D151-H153 PolarHBondContact O-N 3.16Å; D151-G154 PolarHBondContact O-N 3.18Å; D151-S156 VanDerWaalsContact CA-OG 3.27Å; D151-S156 WeakPolarHBondContact CA-OG 3.34Å; D151-S156 VanDerWaalsContact OD1-CB 3.22Å; D151-S156 WeakPolarHBondContact OD1-CB 3.37Å; D151-S156 PolarHBondContact OD1-OG 2.82Å
152	R	94.6	Very high	96.6	Very high	93 Å²	93	53.2 Å²	53.2	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-34	178.8	-168.8	-173.6	-58.4	122.5	9.1	112.8	T19 T33 M148 D149	T19-R152 WeakPolarHBondContact OG1-CD 3.46Å; T33-R152 WeakPolarHBondContact OG1-CD 3.27Å; M148-R152 VanDerWaalsContact O-CB 3.28Å; M148-R152 WeakPolarHBondContact O-CB 3.47Å; M148-R152 PolarHBondContact O-N 3.33Å; D149-R152 PolarHBondContact O-N 3.18Å; D149-R152 IonicContact OD1-CZ 2.69Å; D149-R152 IonicContact OD1-NH1 3.45Å; D149-R152 PolarHBondContact OD1-NH1 3.09Å; D149-R152 IonicContact OD1-NH2 2.76Å
153	H	95.7	Very high	96.7	Very high	29 Å²	29	56 Å²	56	13%	0.134	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8	-176.3	-56.1	151.7	0	0	0	113.5	T19 F73 W78 H121 D149 F150 D151 F155	T19-H153 PolarHBondContact OG1-CD2 3.41Å; T19-H153 PolarHBondContact OG1-NE2 2.98Å; F73-H153 AromaticContact CE2-CE1 3.66Å; F73-H153 AromaticContact CE2-ND1 3.84Å; F73-H153 AromaticContact CE2-NE2 3.9Å; F73-H153 AromaticContact CZ-ND1 3.75Å; W78-H153 AromaticContact CH2-CE1 3.81Å; W78-H153 AromaticContact CZ2-CE1 3.87Å; W78-H153 AromaticContact CZ3-CE1 3.93Å; H121-H153 AromaticContact CD2-ND1 3.62Å; H121-H153 AromaticContact CE1-ND1 3.93Å; H121-H153 AromaticContact NE2-CE1 3.74Å; H121-H153 AromaticContact NE2-CG 3.93Å; H121-H153 AromaticContact NE2-ND1 2.89Å; H121-H153 PolarHBondContact NE2-ND1 3.21Å; D149-H153 WeakPolarHBondContact O-CB 3.31Å; D149-H153 PolarHBondContact O-N 2.95Å; D149-H153 PolarHBondContact O-ND1 2.71Å; D149-H153 VanDerWaalsContact O-ND1 3.16Å; F150-H153 PolarHBondContact O-N 2.93Å; D151-H153 VanDerWaalsContact C-N 3.26Å; D151-H153 PolarHBondContact O-N 3.16Å; H153-F155 HydrophobicContact CB-CD2 3.8Å; H153-F155 HydrophobicContact CB-CE2 3.91Å
154	G	94.5	Very high	96.6	Very high	60 Å²	60	56.9 Å²	56.9	62%	0.619	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	22.7	174.1	0	0	0	0	0	115	F150 D151	F150-G154 PolarHBondContact O-N 3.04Å; F150-G154 VanDerWaalsContact O-N 3.1Å; D151-G154 PolarHBondContact O-N 3.18Å
155	F	96.8	Very high	96.6	Very high	33 Å²	33	56 Å²	56	15%	0.145	29%	0.294	C	S	.	.			trans	-102.9	3	-178.7	-64.2	-56.5	0	0	0	114.6	H121 L124 F150 H153 N157 M158 T159	H121-F155 AromaticContact CD2-CE2 3.92Å; L124-F155 HydrophobicContact CB-CD1 3.89Å; L124-F155 HydrophobicContact CB-CD2 4.4Å; L124-F155 HydrophobicContact CB-CE1 3.92Å; L124-F155 HydrophobicContact CB-CE2 4.43Å; L124-F155 HydrophobicContact CB-CG 4.15Å; L124-F155 HydrophobicContact CB-CZ 4.2Å; L124-F155 HydrophobicContact CD1-CB 3.8Å; L124-F155 HydrophobicContact CD1-CD1 4.32Å; L124-F155 HydrophobicContact CD1-CD2 3.92Å; L124-F155 HydrophobicContact CD1-CG 3.76Å; L124-F155 HydrophobicContact CD2-CB 4.27Å; L124-F155 HydrophobicContact CD2-CD1 4.27Å; L124-F155 HydrophobicContact CD2-CG 4.38Å; L124-F155 HydrophobicContact CG-CD1 4.38Å; L124-F155 HydrophobicContact CG-CG 4.32Å; F150-F155 HydrophobicContact CB-CB 4.18Å; F150-F155 PolarHBondContact O-N 3.48Å; H153-F155 HydrophobicContact CB-CD2 3.8Å; H153-F155 HydrophobicContact CB-CE2 3.91Å; F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 3.27Å; F155-M158 CarbonylContact O-C 3.01Å; F155-M158 PolarHBondContact O-N 2.72Å; F155-T159 HydrophobicContact CB-CG2 4.27Å; F155-T159 WeakPolarHBondContact O-CG2 3.42Å; F155-T159 PolarHBondContact O-N 3.35Å; F155-T159 PolarHBondContact O-OG1 3.26Å
156	S	95.7	Very high	96.7	Very high	45 Å²	45	55 Å²	55	32%	0.315	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52.6	-44.8	-179.1	-39.8	0	0	0	0	112.9	D151 M158 T159	D151-S156 VanDerWaalsContact CA-OG 3.27Å; D151-S156 WeakPolarHBondContact CA-OG 3.34Å; D151-S156 VanDerWaalsContact OD1-CB 3.22Å; D151-S156 WeakPolarHBondContact OD1-CB 3.37Å; D151-S156 PolarHBondContact OD1-OG 2.82Å; S156-M158 PolarHBondContact O-N 3.12Å; S156-M158 VanDerWaalsContact O-N 3.16Å; S156-T159 PolarHBondContact O-N 2.79Å; S156-T159 PolarHBondContact O-OG1 2.55Å
157	N	96.7	Very high	96.7	Very high	154 Å²	154	56.1 Å²	56.1	82%	0.824	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-71.5	-10.1	-176.7	-65.1	-27.5	0	0	0	113.8	F155	F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 3.27Å
158	M	97.6	Very high	96.7	Very high	21 Å²	21	57.6 Å²	57.6	10%	0.103	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-115.2	5.6	-176.2	-74.1	-169.2	70	0	0	112.5	L124 V127 A128 G131 M132 L133 F155 S156	L124-M158 HydrophobicContact CD2-CB 4.04Å; V127-M158 HydrophobicContact CG2-CE 3.92Å; A128-M158 HydrophobicContact CB-CE 3.9Å; A128-M158 HydrophobicContact CB-SD 3.92Å; G131-M158 WeakPolarHBondContact O-CE 3.05Å; M132-M158 CarbonylContact C-O 3.52Å; M132-M158 WeakPolarHBondContact CA-O 3.44Å; M132-M158 VanDerWaalsContact SD-O 3.35Å; L133-M158 PolarHBondContact N-O 3.09Å; F155-M158 CarbonylContact O-C 3.01Å; F155-M158 PolarHBondContact O-N 2.72Å; S156-M158 PolarHBondContact O-N 3.12Å; S156-M158 VanDerWaalsContact O-N 3.16Å
159	T	98.1	Very high	96.7	Very high	21 Å²	21	57.8 Å²	57.8	13%	0.129	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	-175.1	52.3	0	0	0	0	111.2	L124 L133 F150 F155 S156	L124-T159 HydrophobicContact CD1-CG2 3.74Å; L124-T159 HydrophobicContact CD2-CG2 3.52Å; L124-T159 HydrophobicContact CG-CG2 4.2Å; L133-T159 HydrophobicContact CB-CG2 4.32Å; L133-T159 CarbonylContact O-C 3.58Å; L133-T159 WeakPolarHBondContact O-CA 3.37Å; F150-T159 HydrophobicContact CD1-CG2 4.49Å; F150-T159 HydrophobicContact CD2-CG2 3.57Å; F150-T159 HydrophobicContact CE2-CG2 3.74Å; F150-T159 HydrophobicContact CG-CG2 3.97Å; F150-T159 HydrophobicContact CZ-CG2 4.3Å; F155-T159 HydrophobicContact CB-CG2 4.27Å; F155-T159 WeakPolarHBondContact O-CG2 3.42Å; F155-T159 PolarHBondContact O-N 3.35Å; F155-T159 PolarHBondContact O-OG1 3.26Å; S156-T159 PolarHBondContact O-N 2.79Å; S156-T159 PolarHBondContact O-OG1 2.55Å
160	K	98	Very high	96.7	Very high	96 Å²	96	57.6 Å²	57.6	42%	0.417	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	100.3	168.2	-76	177.6	176.3	-179.2	0	108	M132 L133 Y134 A135	M132-K160 HydrophobicContact SD-CD 4.35Å; M132-K160 HydrophobicContact SD-CG 4.11Å; L133-K160 PolarHBondContact O-N 2.79Å; Y134-K160 HydrophobicContact CD1-CB 3.88Å; Y134-K160 HydrophobicContact CD1-CD 3.83Å; Y134-K160 HydrophobicContact CE1-CB 4.2Å; Y134-K160 HydrophobicContact CE1-CD 3.25Å; Y134-K160 HydrophobicContact CE1-CG 4.34Å; Y134-K160 PolarHBondContact OH-NZ 2.8Å; A135-K160 PolarHBondContact N-O 2.94Å
161	V	97.9	Very high	96.7	Very high	21 Å²	21	57.8 Å²	57.8	13%	0.127	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.9	-177.2	-176.6	0	0	0	0	109.9	A135 L143 R147 F150	A135-V161 HydrophobicContact CB-CG2 4.18Å; A135-V161 CarbonylContact O-C 3.59Å; A135-V161 WeakPolarHBondContact O-CA 3.33Å; L143-V161 HydrophobicContact CB-CG1 3.9Å; L143-V161 HydrophobicContact CD2-CG1 3.29Å; L143-V161 HydrophobicContact CG-CG1 4.14Å; R147-V161 HydrophobicContact CG-CB 3.72Å; R147-V161 HydrophobicContact CG-CG1 3.81Å; R147-V161 HydrophobicContact CG-CG2 3.81Å; R147-V161 PolarHBondContact NH2-O 3.01Å; F150-V161 HydrophobicContact CD2-CG2 3.73Å; F150-V161 HydrophobicContact CE2-CG2 3.68Å
162	Q	97.2	Very high	96.7	Very high	77 Å²	77	56.8 Å²	56.8	36%	0.36	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.5	-172.4	-64.9	-173.1	-21.3	0	0	111.7	A135 Y136 D137	A135-Q162 PolarHBondContact O-N 2.98Å; Y136-Q162 WeakPolarHBondContact CA-O 3.47Å; Y136-Q162 HydrophobicContact CD1-CB 3.87Å; Y136-Q162 HydrophobicContact CE1-CB 3.86Å; Y136-Q162 HydrophobicContact CE1-CG 4.44Å; Y136-Q162 VanDerWaalsContact CZ-OE1 3.28Å; Y136-Q162 PolarHBondContact OH-OE1 3.39Å; Y136-Q162 VanDerWaalsContact OH-OE1 3.09Å; D137-Q162 PolarHBondContact N-O 3.42Å
163	H	97.4	Very high	96.8	Very high	110 Å²	110	53.4 Å²	53.4	51%	0.509	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.3	170.2	175.7	-91.8	0	0	0	109.1	D137 V138 T140 L143	D137-H163 WeakPolarHBondContact O-CA 3.44Å; V138-H163 PolarHBondContact O-CD2 3.09Å; V138-H163 PolarHBondContact O-NE2 3Å; T140-H163 WeakPolarHBondContact CG2-CD2 3.34Å; L143-H163 VanDerWaalsContact CD1-CA 3.44Å; L143-H163 HydrophobicContact CD1-CB 3.55Å
164	S	95.6	Very high	96.8	Very high	19 Å²	19	57.7 Å²	57.7	13%	0.133	34%	0.338	C	S	.	.			trans	-162.2	140.8	-179.2	-173.1	0	0	0	0	110.7	D137 V166 G170	D137-S164 PolarHBondContact O-N 2.85Å; S164-V166 PolarHBondContact O-N 2.83Å; S164-G170 PolarHBondContact OG-O 3.36Å
165	D	97	Very high	96.9	Very high	62 Å²	62	59 Å²	59	33%	0.332	33%	0.328	S	S	.	.			trans	-85	94.8	160.2	-173.5	-14.6	0	0	0	108.9	V138 C167 V168 D169	V138-D165 HydrophobicContact CG1-CB 3.85Å; D165-C167 PolarHBondContact O-N 3.26Å; D165-C167 VanDerWaalsContact OD1-CB 3.27Å; D165-C167 WeakPolarHBondContact OD1-CB 3.36Å; D165-C167 PolarHBondContact OD1-N 3.41Å; D165-V168 HydrophobicContact CB-CB 4.37Å; D165-V168 HydrophobicContact CB-CG2 4.5Å; D165-V168 PolarHBondContact O-N 3.45Å; D165-D169 PolarHBondContact O-N 2.91Å
166	V	97.4	Very high	96.9	Very high	6 Å²	6	59 Å²	59	4%	0.036	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.1	-178.5	-57.3	0	0	0	0	113.7	A112 Y136 S164 G170 F171 L184 A190	A112-V166 HydrophobicContact CB-CB 4.37Å; A112-V166 HydrophobicContact CB-CG1 4.01Å; A112-V166 HydrophobicContact CB-CG2 3.55Å; Y136-V166 HydrophobicContact CD1-CG1 3.85Å; Y136-V166 HydrophobicContact CG-CG1 3.83Å; S164-V166 PolarHBondContact O-N 2.83Å; V166-G170 WeakPolarHBondContact O-CA 3.32Å; V166-G170 PolarHBondContact O-N 2.87Å; V166-F171 HydrophobicContact CB-CE1 4.23Å; V166-F171 HydrophobicContact CB-CE2 4.19Å; V166-F171 HydrophobicContact CB-CZ 3.99Å; V166-F171 HydrophobicContact CG1-CD1 4.04Å; V166-F171 HydrophobicContact CG1-CE1 3.86Å; V166-F171 HydrophobicContact CG1-CZ 4.15Å; V166-F171 HydrophobicContact CG2-CZ 4.12Å; V166-L184 HydrophobicContact CG2-CD1 3.48Å; V166-L184 VanDerWaalsContact CG2-CD1 3.48Å; V166-A190 HydrophobicContact CG2-CB 4.16Å
167	C	97	Very high	97	Very high	27 Å²	27	56.8 Å²	56.8	18%	0.182	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.1	174.5	-61.1	0	0	0	0	112.1	D165 L189	D165-C167 PolarHBondContact O-N 3.26Å; D165-C167 VanDerWaalsContact OD1-CB 3.27Å; D165-C167 WeakPolarHBondContact OD1-CB 3.36Å; D165-C167 PolarHBondContact OD1-N 3.41Å; C167-L189 HydrophobicContact CB-CB 3.87Å; C167-L189 HydrophobicContact CB-CD1 4.31Å
168	V	96.5	Very high	97.1	Very high	114 Å²	114	51.1 Å²	51.1	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-56.6	-178.4	179.3	0	0	0	0	110.8	D165	D165-V168 HydrophobicContact CB-CB 4.37Å; D165-V168 HydrophobicContact CB-CG2 4.5Å; D165-V168 PolarHBondContact O-N 3.45Å
169	D	96.4	Very high	97.2	Very high	119 Å²	119	50.1 Å²	50.1	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-20.9	-173	-57.8	-44.3	0	0	0	112.2	D165	D165-D169 PolarHBondContact O-N 2.91Å
170	G	96.4	Very high	97.2	Very high	6 Å²	6	49.1 Å²	49.1	6%	0.062	28%	0.275	C	S	.	.			trans	76.2	-170.2	-173.7	0	0	0	0	0	113.8	S164 V166 S193	S164-G170 PolarHBondContact OG-O 3.36Å; V166-G170 WeakPolarHBondContact O-CA 3.32Å; V166-G170 PolarHBondContact O-N 2.87Å; G170-S193 WeakPolarHBondContact CA-OG 3.5Å
171	F	97.6	Very high	97.2	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	26%	0.255	C	S	.	.			trans	-81.9	-18.2	-176.4	-71	-85.1	0	0	0	114	A110 A112 Y136 V166 L173 L180 L182 A190 S193 A194 A197	A110-F171 HydrophobicContact CB-CD1 4.24Å; A110-F171 HydrophobicContact CB-CE1 4.26Å; A112-F171 HydrophobicContact CB-CE1 3.91Å; A112-F171 HydrophobicContact CB-CZ 4.06Å; Y136-F171 AromaticContact CD2-CD1 3.85Å; Y136-F171 HydrophobicContact CD2-CD1 3.85Å; Y136-F171 HydrophobicContact CD2-CE1 4.02Å; Y136-F171 HydrophobicContact CE1-CD1 4.43Å; Y136-F171 AromaticContact CE2-CD1 3.57Å; Y136-F171 HydrophobicContact CE2-CD1 3.57Å; Y136-F171 HydrophobicContact CE2-CE1 4.16Å; Y136-F171 HydrophobicContact CG-CD1 4.43Å; Y136-F171 AromaticContact CZ-CD1 3.9Å; Y136-F171 PolarHBondContact OH-O 3.08Å; V166-F171 HydrophobicContact CB-CE1 4.23Å; V166-F171 HydrophobicContact CB-CE2 4.19Å; V166-F171 HydrophobicContact CB-CZ 3.99Å; V166-F171 HydrophobicContact CG1-CD1 4.04Å; V166-F171 HydrophobicContact CG1-CE1 3.86Å; V166-F171 HydrophobicContact CG1-CZ 4.15Å; V166-F171 HydrophobicContact CG2-CZ 4.12Å; F171-L173 HydrophobicContact CB-CB 4.19Å; F171-L173 HydrophobicContact CB-CD1 4.4Å; F171-L173 HydrophobicContact CB-CG 4.23Å; F171-L173 PolarHBondContact O-N 3.24Å; F171-L180 HydrophobicContact CD1-CD1 4.37Å; F171-L180 HydrophobicContact CD2-CD1 4.2Å; F171-L180 HydrophobicContact CE1-CD1 4Å; F171-L180 HydrophobicContact CE1-CG 4.45Å; F171-L180 HydrophobicContact CE2-CD1 3.83Å; F171-L180 HydrophobicContact CE2-CD2 4.46Å; F171-L180 HydrophobicContact CG-CD1 4.48Å; F171-L180 HydrophobicContact CZ-CD1 3.74Å; F171-L180 HydrophobicContact CZ-CD2 4Å; F171-L180 HydrophobicContact CZ-CG 4.2Å; F171-L182 HydrophobicContact CZ-CD2 3.76Å; F171-A190 HydrophobicContact CE2-CB 4.39Å; F171-S193 PolarHBondContact N-OG 3.25Å; F171-A194 HydrophobicContact CE2-CB 4.03Å; F171-A197 HydrophobicContact CB-CB 4.23Å; F171-A197 HydrophobicContact CG-CB 4.48Å
172	G	96.5	Very high	97.3	Very high	77 Å²	77	43.6 Å²	43.6	79%	0.794	25%	0.249	S	C	*	.			trans	62	19	-169.8	0	0	0	0	0	113.8
173	L	97.1	Very high	97.3	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	25%	0.245	C	C	.	.			trans	-113.7	146.8	180	-63.6	178.8	0	0	0	110.3	A110 Y134 Y136 F171 V177 A197	A110-L173 HydrophobicContact CB-CD1 4.46Å; Y134-L173 HydrophobicContact CD1-CD1 4Å; Y134-L173 HydrophobicContact CD1-CD2 3.9Å; Y134-L173 HydrophobicContact CD2-CD1 4.09Å; Y134-L173 HydrophobicContact CE1-CD1 4.44Å; Y134-L173 HydrophobicContact CE1-CD2 3.66Å; Y134-L173 HydrophobicContact CG-CD1 3.82Å; Y136-L173 WeakPolarHBondContact OH-CD1 3.38Å; Y136-L173 WeakPolarHBondContact OH-CG 3.27Å; F171-L173 HydrophobicContact CB-CB 4.19Å; F171-L173 HydrophobicContact CB-CD1 4.4Å; F171-L173 HydrophobicContact CB-CG 4.23Å; F171-L173 PolarHBondContact O-N 3.24Å; L173-V177 HydrophobicContact CD1-CG1 3.77Å; L173-A197 HydrophobicContact CB-CB 3.74Å; L173-A197 WeakPolarHBondContact O-CA 3.34Å
174	E	96.3	Very high	97.3	Very high	118 Å²	118	38.4 Å²	38.4	55%	0.551	23%	0.227	S	C	*	.			trans	-134.1	121.8	175.6	-59.8	-167.8	171	0	0	110	C176 K196	E174-C176 VanDerWaalsContact C-N 3.3Å; E174-C176 PolarHBondContact O-N 2.83Å; E174-C176 VanDerWaalsContact O-N 3.13Å; E174-K196 HydrophobicContact CG-CD 4.45Å; E174-K196 HydrophobicContact CG-CG 4.44Å; E174-K196 WeakPolarHBondContact OE1-CE 3.41Å; E174-K196 IonicContact OE1-NZ 3.85Å; E174-K196 PolarHBondContact OE1-NZ 3.16Å
175	H	96.4	Very high	97.4	Very high	88 Å²	88	42 Å²	42	41%	0.407	25%	0.251	S	S	.	.	S	Bend	trans	52.5	36.9	168.2	-52	-40.7	0	0	0	116.6	K196 A197 M198 K199 N200	H175-K196 PolarHBondContact N-O 2.85Å; H175-K196 PolarHBondContact ND1-O 2.87Å; H175-A197 CarbonylContact C-O 3.45Å; H175-A197 WeakPolarHBondContact CA-O 3.43Å; H175-A197 PolarHBondContact N-O 2.85Å; H175-A197 VanDerWaalsContact N-O 3.17Å; H175-M198 WeakPolarHBondContact CA-O 3.44Å; H175-M198 PolarHBondContact ND1-O 3.37Å; H175-K199 WeakPolarHBondContact O-CG 3.24Å; H175-N200 PolarHBondContact CD2-ND2 3.34Å; H175-N200 PolarHBondContact CE1-ND2 3.29Å; H175-N200 PolarHBondContact CE1-OD1 2.78Å; H175-N200 PolarHBondContact ND1-ND2 3.29Å; H175-N200 PolarHBondContact ND1-OD1 3.41Å; H175-N200 VanDerWaalsContact ND1-OD1 3.16Å; H175-N200 PolarHBondContact NE2-ND2 2.86Å
176	C	96.9	Very high	97.4	Very high	32 Å²	32	41.4 Å²	41.4	22%	0.216	25%	0.249	C	C	.	.			trans	-127.2	-16.9	-172.7	68.7	0	0	0	0	115.4	I108 E174 A197 K199	I108-C176 WeakPolarHBondContact CG2-O 3.4Å; E174-C176 VanDerWaalsContact C-N 3.3Å; E174-C176 PolarHBondContact O-N 2.83Å; E174-C176 VanDerWaalsContact O-N 3.13Å; C176-A197 PolarHBondContact N-O 3.03Å; C176-K199 WeakPolarHBondContact O-CE 3.48Å
177	V	98.1	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-96.3	139	-178.6	-48.9	0	0	0	0	112.4	I108 A110 L173 L180 A197 M198 K199 C204	I108-V177 HydrophobicContact CG2-CB 4.49Å; I108-V177 HydrophobicContact CG2-CG1 4.17Å; I108-V177 CarbonylContact O-C 3.58Å; A110-V177 HydrophobicContact CB-CG1 4.07Å; L173-V177 HydrophobicContact CD1-CG1 3.77Å; V177-L180 HydrophobicContact CG2-CD1 4.49Å; V177-A197 HydrophobicContact CG2-CB 4.13Å; V177-A197 PolarHBondContact N-O 2.84Å; V177-A197 VanDerWaalsContact N-O 3.13Å; V177-M198 HydrophobicContact CG2-CB 4.31Å; V177-M198 HydrophobicContact CG2-CG 3.77Å; V177-M198 WeakPolarHBondContact O-CA 3.36Å; V177-K199 PolarHBondContact O-N 2.79Å; V177-C204 PolarHBondContact O-SG 2.84Å
178	D	98.3	Very high	97.5	Very high	34 Å²	34	42 Å²	42	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-82.9	-36.9	174.2	-62.5	-68.3	0	0	0	111.5	I108 K199 C204 R205	I108-D178 PolarHBondContact N-OD2 2.9Å; I108-D178 PolarHBondContact O-N 2.71Å; D178-K199 WeakPolarHBondContact OD1-CD 3.4Å; D178-K199 WeakPolarHBondContact OD1-CE 3.47Å; D178-K199 IonicContact OD1-NZ 2.77Å; D178-K199 PolarHBondContact OD1-NZ 3.09Å; D178-K199 IonicContact OD2-NZ 2.9Å; D178-K199 PolarHBondContact OD2-NZ 2.77Å; D178-C204 VanDerWaalsContact O-CA 3.27Å; D178-C204 WeakPolarHBondContact O-CA 3.44Å; D178-C204 VanDerWaalsContact O-CB 3.3Å; D178-C204 WeakPolarHBondContact O-CB 3.42Å; D178-R205 PolarHBondContact O-N 2.89Å
179	A	98.6	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153	179.2	0	0	0	0	0	111.8	L101 L103 I108 V109 A110 R205	L101-A179 HydrophobicContact CB-CB 4.11Å; L101-A179 HydrophobicContact CD2-CB 4.42Å; L103-A179 HydrophobicContact CD2-CB 3.68Å; I108-A179 PolarHBondContact O-N 2.67Å; V109-A179 WeakPolarHBondContact CA-O 3.27Å; V109-A179 HydrophobicContact CG1-CB 4.5Å; V109-A179 HydrophobicContact CG2-CB 4.5Å; A110-A179 PolarHBondContact N-O 3.4Å; A179-R205 CarbonylContact C-O 3.51Å; A179-R205 WeakPolarHBondContact CA-O 3.46Å; A179-R205 HydrophobicContact CB-CB 4.45Å
180	L	98.7	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.4	177.2	-169.5	150.4	0	0	0	110.9	A110 F171 V177 L182 A194 A197 M198 R205 F206 G207	A110-L180 HydrophobicContact CB-CD1 3.96Å; A110-L180 HydrophobicContact CB-CG 4Å; A110-L180 CarbonylContact O-C 3.55Å; A110-L180 VanDerWaalsContact O-CA 3.26Å; A110-L180 WeakPolarHBondContact O-CA 3.41Å; F171-L180 HydrophobicContact CD1-CD1 4.37Å; F171-L180 HydrophobicContact CD2-CD1 4.2Å; F171-L180 HydrophobicContact CE1-CD1 4Å; F171-L180 HydrophobicContact CE1-CG 4.45Å; F171-L180 HydrophobicContact CE2-CD1 3.83Å; F171-L180 HydrophobicContact CE2-CD2 4.46Å; F171-L180 HydrophobicContact CG-CD1 4.48Å; F171-L180 HydrophobicContact CZ-CD1 3.74Å; F171-L180 HydrophobicContact CZ-CD2 4Å; F171-L180 HydrophobicContact CZ-CG 4.2Å; V177-L180 HydrophobicContact CG2-CD1 4.49Å; L180-L182 HydrophobicContact CD2-CD1 4.47Å; L180-L182 HydrophobicContact CD2-CD2 3.52Å; L180-L182 HydrophobicContact CD2-CG 3.71Å; L180-A194 HydrophobicContact CD1-CB 3.63Å; L180-A194 HydrophobicContact CD2-CB 3.84Å; L180-A194 HydrophobicContact CG-CB 4.35Å; L180-A197 HydrophobicContact CD1-CB 4.45Å; L180-M198 HydrophobicContact CB-CE 3.48Å; L180-M198 VanDerWaalsContact CB-CE 3.48Å; L180-R205 PolarHBondContact N-O 3.32Å; L180-F206 HydrophobicContact CD2-CD2 4.11Å; L180-F206 HydrophobicContact CD2-CE2 4.02Å; L180-F206 CarbonylContact O-C 3.5Å; L180-F206 WeakPolarHBondContact O-CA 3.47Å; L180-G207 PolarHBondContact O-N 3.25Å
181	F	98.8	Very high	97.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.6	178.1	-166.5	-98.5	0	0	0	112.3	L89 I97 L101 A110 E111 A112 L119 D183 G207 F209 L300	L89-F181 HydrophobicContact CD1-CE1 3.67Å; L89-F181 HydrophobicContact CD1-CZ 3.96Å; I97-F181 HydrophobicContact CB-CE2 4.28Å; I97-F181 HydrophobicContact CD1-CE1 4.06Å; I97-F181 HydrophobicContact CD1-CE2 3.63Å; I97-F181 HydrophobicContact CD1-CZ 3.32Å; I97-F181 HydrophobicContact CG1-CD2 4.37Å; I97-F181 HydrophobicContact CG1-CE2 3.58Å; I97-F181 HydrophobicContact CG1-CZ 3.85Å; I97-F181 HydrophobicContact CG2-CD2 3.57Å; I97-F181 HydrophobicContact CG2-CE2 3.66Å; I97-F181 HydrophobicContact CG2-CG 4.15Å; I97-F181 HydrophobicContact CG2-CZ 4.29Å; L101-F181 HydrophobicContact CD1-CB 4.03Å; L101-F181 HydrophobicContact CD1-CD2 4.08Å; L101-F181 HydrophobicContact CD1-CG 4.45Å; A110-F181 PolarHBondContact O-N 2.91Å; E111-F181 WeakPolarHBondContact CA-O 3.35Å; A112-F181 PolarHBondContact N-O 2.83Å; L119-F181 HydrophobicContact CD2-CB 4.49Å; L119-F181 HydrophobicContact CD2-CD1 3.22Å; L119-F181 HydrophobicContact CD2-CE1 3.47Å; L119-F181 VanDerWaalsContact CD2-CE1 3.47Å; L119-F181 HydrophobicContact CD2-CG 3.88Å; L119-F181 HydrophobicContact CD2-CZ 4.31Å; F181-D183 HydrophobicContact CE1-CB 4.15Å; F181-G207 CarbonylContact C-O 3.6Å; F181-G207 VanDerWaalsContact CA-O 3.31Å; F181-G207 WeakPolarHBondContact CA-O 3.21Å; F181-F209 HydrophobicContact CE1-CB 4.35Å; F181-F209 HydrophobicContact CZ-CB 3.89Å; F181-L300 HydrophobicContact CE2-CD2 4.37Å; F181-L300 HydrophobicContact CZ-CD2 4.21Å
182	L	98.7	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.5	177.7	-58.8	-175.3	0	0	0	111.6	A112 F171 L180 L184 P187 A190 F206 G207 S208 F209	A112-L182 HydrophobicContact CB-CD2 3.88Å; F171-L182 HydrophobicContact CZ-CD2 3.76Å; L180-L182 HydrophobicContact CD2-CD1 4.47Å; L180-L182 HydrophobicContact CD2-CD2 3.52Å; L180-L182 HydrophobicContact CD2-CG 3.71Å; L182-L184 HydrophobicContact CD2-CD1 4.08Å; L182-P187 HydrophobicContact CB-CB 3.99Å; L182-P187 HydrophobicContact CD1-CB 3.74Å; L182-P187 WeakPolarHBondContact CD1-O 3.42Å; L182-A190 HydrophobicContact CD1-CB 4.02Å; L182-A190 HydrophobicContact CD2-CB 4.46Å; L182-F206 HydrophobicContact CD1-CE2 3.68Å; L182-F206 HydrophobicContact CD1-CZ 3.72Å; L182-F206 HydrophobicContact CG-CE2 3.97Å; L182-F206 HydrophobicContact CG-CZ 4.16Å; L182-G207 PolarHBondContact N-O 3.16Å; L182-S208 CarbonylContact O-C 3.59Å; L182-S208 WeakPolarHBondContact O-CA 3.49Å; L182-F209 PolarHBondContact O-N 3.01Å
183	D	98.1	Very high	97.9	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.262	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	75.9	165.5	-169	-1.3	0	0	0	108.8	A112 G113 F181 F209	A112-D183 PolarHBondContact O-N 3.46Å; G113-D183 WeakPolarHBondContact CA-O 2.99Å; F181-D183 HydrophobicContact CE1-CB 4.15Å; D183-F209 WeakPolarHBondContact OD1-CD1 3.18Å
184	L	97.4	Very high	97.9	Very high	28 Å²	28	33.6 Å²	33.6	15%	0.147	18%	0.184	C	C	.	.	S	Bend	trans	-130	157.4	-172.2	-61.3	174.6	0	0	0	110.3	A112 V166 L182 T186 P187	A112-L184 HydrophobicContact CB-CD1 4.06Å; V166-L184 HydrophobicContact CG2-CD1 3.48Å; V166-L184 VanDerWaalsContact CG2-CD1 3.48Å; L182-L184 HydrophobicContact CD2-CD1 4.08Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.77Å; L184-P187 WeakPolarHBondContact O-CD 3.18Å
185	P	97	Very high	98	Very high	96 Å²	96	31.6 Å²	31.6	62%	0.623	17%	0.173	S	C	*	.	S	Bend	trans	-65.5	-31.6	173.9	-23.2	34.5	0	0	0	114.1	Q215	P185-Q215 PolarHBondContact O-NE2 3.09Å
186	T	98	Very high	98	Very high	49 Å²	49	32.3 Å²	32.3	30%	0.301	18%	0.175	S	C	.	.	S	Bend	trans	-130.5	58.2	-175.1	55.6	0	0	0	0	112.4	L184 W188 L189	L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 2.77Å; T186-W188 HydrophobicContact CG2-CH2 3.88Å; T186-W188 HydrophobicContact CG2-CZ2 3.64Å; T186-W188 PolarHBondContact O-N 3.15Å; T186-W188 VanDerWaalsContact O-N 3.13Å; T186-L189 PolarHBondContact O-N 2.96Å
187	P	98.1	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-24.2	-169.7	25.8	-33.5	0	0	0	113.2	L182 L184 L189 A190 T219	L182-P187 HydrophobicContact CB-CB 3.99Å; L182-P187 HydrophobicContact CD1-CB 3.74Å; L182-P187 WeakPolarHBondContact CD1-O 3.42Å; L184-P187 WeakPolarHBondContact O-CD 3.18Å; P187-L189 PolarHBondContact O-N 3.35Å; P187-A190 PolarHBondContact O-N 2.98Å; P187-A190 VanDerWaalsContact O-N 3.13Å; P187-T219 WeakPolarHBondContact CG-OG1 3.48Å
188	W	98.6	Very high	98.1	Very high	46 Å²	46	30.8 Å²	30.8	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-25.7	178.1	57	89	0	0	0	114.1	T186 A190 I191 Q215 Q218 A222	T186-W188 HydrophobicContact CG2-CH2 3.88Å; T186-W188 HydrophobicContact CG2-CZ2 3.64Å; T186-W188 PolarHBondContact O-N 3.15Å; T186-W188 VanDerWaalsContact O-N 3.13Å; W188-A190 VanDerWaalsContact C-N 3.34Å; W188-I191 HydrophobicContact CB-CD1 4.39Å; W188-Q215 HydrophobicContact CH2-CG 4.15Å; W188-Q215 HydrophobicContact CZ3-CB 3.74Å; W188-Q215 HydrophobicContact CZ3-CG 3.83Å; W188-Q218 HydrophobicContact CB-CB 4.23Å; W188-Q218 HydrophobicContact CD2-CB 3.56Å; W188-Q218 HydrophobicContact CD2-CG 4.43Å; W188-Q218 HydrophobicContact CE3-CB 3.62Å; W188-Q218 HydrophobicContact CG-CB 3.85Å; W188-Q218 VanDerWaalsContact CZ2-OE1 3.28Å; W188-Q218 HydrophobicContact CZ3-CB 4.21Å; W188-A222 HydrophobicContact CB-CB 3.94Å
189	L	98.4	Very high	98	Very high	89 Å²	89	31.5 Å²	31.5	47%	0.466	17%	0.166	S	C	.	.	H	α-helix	trans	-71	-31.3	177.6	-61.9	-179.2	0	0	0	112	C167 T186 P187	C167-L189 HydrophobicContact CB-CB 3.87Å; C167-L189 HydrophobicContact CB-CD1 4.31Å; T186-L189 PolarHBondContact O-N 2.96Å; P187-L189 PolarHBondContact O-N 3.35Å
190	A	98.2	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-85.4	-9.4	-177.3	0	0	0	0	0	113.9	V166 F171 L182 P187 W188 S192 S193 A194	V166-A190 HydrophobicContact CG2-CB 4.16Å; F171-A190 HydrophobicContact CE2-CB 4.39Å; L182-A190 HydrophobicContact CD1-CB 4.02Å; L182-A190 HydrophobicContact CD2-CB 4.46Å; P187-A190 PolarHBondContact O-N 2.98Å; P187-A190 VanDerWaalsContact O-N 3.13Å; W188-A190 VanDerWaalsContact C-N 3.34Å; A190-S192 VanDerWaalsContact C-N 3.31Å; A190-S192 PolarHBondContact O-N 3.37Å; A190-S193 PolarHBondContact O-N 3.15Å; A190-A194 WeakPolarHBondContact O-CB 3.21Å; A190-A194 PolarHBondContact O-N 3.24Å
191	I	98.4	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-37.8	-173.1	-70.7	169.8	0	0	0	112.7	W188 A194 K195 F206 T219 A222 L223 Y226 F228	W188-I191 HydrophobicContact CB-CD1 4.39Å; I191-A194 PolarHBondContact O-N 3.44Å; I191-K195 PolarHBondContact O-N 3.46Å; I191-F206 HydrophobicContact CG1-CE2 4.4Å; I191-F206 HydrophobicContact CG1-CZ 4.16Å; I191-T219 HydrophobicContact CD1-CG2 4.04Å; I191-T219 WeakPolarHBondContact CD1-O 3.28Å; I191-A222 HydrophobicContact CD1-CB 3.48Å; I191-A222 VanDerWaalsContact CD1-CB 3.48Å; I191-L223 HydrophobicContact CD1-CD2 4.01Å; I191-L223 HydrophobicContact CD1-CG 3.8Å; I191-L223 HydrophobicContact CG1-CD2 4.31Å; I191-L223 HydrophobicContact CG2-CD2 4.11Å; I191-Y226 HydrophobicContact CB-CD2 4.18Å; I191-Y226 HydrophobicContact CG2-CD2 3.57Å; I191-Y226 HydrophobicContact CG2-CE2 4.46Å; I191-Y226 HydrophobicContact CG2-CG 4.11Å; I191-F228 HydrophobicContact CG2-CD2 4.23Å; I191-F228 HydrophobicContact CG2-CE2 3.74Å
192	S	97.6	Very high	96.9	Very high	52 Å²	52	42.1 Å²	42.1	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-46.8	178.4	65.1	0	0	0	0	111.4	A190 K195 K196 Y226	A190-S192 VanDerWaalsContact C-N 3.31Å; A190-S192 PolarHBondContact O-N 3.37Å; S192-K195 PolarHBondContact O-N 2.89Å; S192-K196 PolarHBondContact O-N 3.47Å; S192-Y226 VanDerWaalsContact CB-CZ 3.48Å
193	S	97.7	Very high	96.7	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-70.2	-38.9	177.5	-164.1	0	0	0	0	111.8	G170 F171 A190 K195 K196 A197	G170-S193 WeakPolarHBondContact CA-OG 3.5Å; F171-S193 PolarHBondContact N-OG 3.25Å; A190-S193 PolarHBondContact O-N 3.15Å; S193-K195 VanDerWaalsContact C-N 3.33Å; S193-K195 PolarHBondContact O-N 3.32Å; S193-K196 WeakPolarHBondContact O-CB 3.45Å; S193-K196 PolarHBondContact O-N 2.87Å; S193-K196 VanDerWaalsContact O-N 3.1Å; S193-A197 PolarHBondContact O-N 2.92Å
194	A	98.1	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-45.3	174.2	0	0	0	0	0	111.6	F171 L180 A190 I191 K196 A197 M198 F206	F171-A194 HydrophobicContact CE2-CB 4.03Å; L180-A194 HydrophobicContact CD1-CB 3.63Å; L180-A194 HydrophobicContact CD2-CB 3.84Å; L180-A194 HydrophobicContact CG-CB 4.35Å; A190-A194 WeakPolarHBondContact O-CB 3.21Å; A190-A194 PolarHBondContact O-N 3.24Å; I191-A194 PolarHBondContact O-N 3.44Å; A194-K196 VanDerWaalsContact C-N 3.28Å; A194-K196 PolarHBondContact O-N 3.41Å; A194-A197 PolarHBondContact O-N 2.95Å; A194-M198 WeakPolarHBondContact O-CG 3.31Å; A194-M198 PolarHBondContact O-N 2.96Å; A194-M198 VanDerWaalsContact O-N 3.13Å; A194-F206 HydrophobicContact CB-CE2 4.39Å
195	K	97.6	Very high	96.8	Very high	76 Å²	76	44 Å²	44	33%	0.33	24%	0.242	S	C	.	.	H	α-helix	trans	-59.9	-38.9	175.7	-175.6	175.5	179.5	178.5	0	112.3	I191 S192 S193 Y226 F228 K305	I191-K195 PolarHBondContact O-N 3.46Å; S192-K195 PolarHBondContact O-N 2.89Å; S193-K195 VanDerWaalsContact C-N 3.33Å; S193-K195 PolarHBondContact O-N 3.32Å; K195-Y226 VanDerWaalsContact CD-O 3.25Å; K195-Y226 WeakPolarHBondContact CD-O 3.46Å; K195-Y226 WeakPolarHBondContact CE-O 3.42Å; K195-Y226 PolarHBondContact NZ-O 3.46Å; K195-F228 HydrophobicContact CB-CE2 3.94Å; K195-F228 HydrophobicContact CB-CZ 4.06Å; K195-F228 HydrophobicContact CD-CE2 4.39Å; K195-F228 HydrophobicContact CG-CE2 4.33Å; K195-F228 HydrophobicContact CG-CZ 4.5Å; K195-K305 HydrophobicContact CG-CD 4.08Å; K195-K305 HydrophobicContact CG-CG 4.42Å; K195-K305 PolarHBondContact O-NZ 3.45Å
196	K	97.4	Very high	96.9	Very high	103 Å²	103	39.4 Å²	39.4	45%	0.448	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-42	177.9	-166.7	-174.6	-177.7	-161.1	0	111.6	E174 H175 S192 S193 A194 M198	E174-K196 HydrophobicContact CG-CD 4.45Å; E174-K196 HydrophobicContact CG-CG 4.44Å; E174-K196 WeakPolarHBondContact OE1-CE 3.41Å; E174-K196 IonicContact OE1-NZ 3.85Å; E174-K196 PolarHBondContact OE1-NZ 3.16Å; H175-K196 PolarHBondContact N-O 2.85Å; H175-K196 PolarHBondContact ND1-O 2.87Å; S192-K196 PolarHBondContact O-N 3.47Å; S193-K196 WeakPolarHBondContact O-CB 3.45Å; S193-K196 PolarHBondContact O-N 2.87Å; S193-K196 VanDerWaalsContact O-N 3.1Å; A194-K196 VanDerWaalsContact C-N 3.28Å; A194-K196 PolarHBondContact O-N 3.41Å; K196-M198 VanDerWaalsContact C-N 3.34Å; K196-M198 PolarHBondContact O-N 3.11Å
197	A	98	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-35.9	177.8	0	0	0	0	0	113.2	F171 L173 H175 C176 V177 L180 S193 A194	F171-A197 HydrophobicContact CB-CB 4.23Å; F171-A197 HydrophobicContact CG-CB 4.48Å; L173-A197 HydrophobicContact CB-CB 3.74Å; L173-A197 WeakPolarHBondContact O-CA 3.34Å; H175-A197 CarbonylContact C-O 3.45Å; H175-A197 WeakPolarHBondContact CA-O 3.43Å; H175-A197 PolarHBondContact N-O 2.85Å; H175-A197 VanDerWaalsContact N-O 3.17Å; C176-A197 PolarHBondContact N-O 3.03Å; V177-A197 HydrophobicContact CG2-CB 4.13Å; V177-A197 PolarHBondContact N-O 2.84Å; V177-A197 VanDerWaalsContact N-O 3.13Å; L180-A197 HydrophobicContact CD1-CB 4.45Å; S193-A197 PolarHBondContact O-N 2.92Å; A194-A197 PolarHBondContact O-N 2.95Å
198	M	98.2	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-66.5	142	-178.3	-73.9	177.2	177.3	0	0	112.9	H175 V177 L180 A194 K196 C204 R205 F206 F228 K305	H175-M198 WeakPolarHBondContact CA-O 3.44Å; H175-M198 PolarHBondContact ND1-O 3.37Å; V177-M198 HydrophobicContact CG2-CB 4.31Å; V177-M198 HydrophobicContact CG2-CG 3.77Å; V177-M198 WeakPolarHBondContact O-CA 3.36Å; L180-M198 HydrophobicContact CB-CE 3.48Å; L180-M198 VanDerWaalsContact CB-CE 3.48Å; A194-M198 WeakPolarHBondContact O-CG 3.31Å; A194-M198 PolarHBondContact O-N 2.96Å; A194-M198 VanDerWaalsContact O-N 3.13Å; K196-M198 VanDerWaalsContact C-N 3.34Å; K196-M198 PolarHBondContact O-N 3.11Å; M198-C204 HydrophobicContact CB-CB 3.85Å; M198-C204 HydrophobicContact CG-CB 3.84Å; M198-C204 HydrophobicContact SD-CB 3.75Å; M198-R205 VanDerWaalsContact CE-O 3.28Å; M198-R205 WeakPolarHBondContact CE-O 3.29Å; M198-F206 HydrophobicContact CE-CB 3.84Å; M198-F206 HydrophobicContact CE-CD2 4.12Å; M198-F228 HydrophobicContact CE-CE1 4.28Å; M198-F228 HydrophobicContact SD-CE1 3.86Å; M198-F228 HydrophobicContact SD-CZ 4.07Å; M198-K305 HydrophobicContact CB-CD 3.53Å; M198-K305 HydrophobicContact CG-CD 4.4Å; M198-K305 PolarHBondContact O-NZ 3.15Å; M198-K305 HydrophobicContact SD-CB 3.81Å; M198-K305 HydrophobicContact SD-CD 4.02Å
199	K	97.2	Very high	96.9	Very high	49 Å²	49	35.8 Å²	35.8	21%	0.213	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-53.6	154.6	177.6	-67.4	176.5	-173.8	172.4	0	112.5	H175 C176 V177 D178 C204 K305	H175-K199 WeakPolarHBondContact O-CG 3.24Å; C176-K199 WeakPolarHBondContact O-CE 3.48Å; V177-K199 PolarHBondContact O-N 2.79Å; D178-K199 WeakPolarHBondContact OD1-CD 3.4Å; D178-K199 WeakPolarHBondContact OD1-CE 3.47Å; D178-K199 IonicContact OD1-NZ 2.77Å; D178-K199 PolarHBondContact OD1-NZ 3.09Å; D178-K199 IonicContact OD2-NZ 2.9Å; D178-K199 PolarHBondContact OD2-NZ 2.77Å; K199-C204 PolarHBondContact N-SG 3.4Å; K199-K305 PolarHBondContact O-NZ 3.3Å
200	N	93.4	Very high	96.9	Very high	85 Å²	85	31.6 Å²	31.6	46%	0.455	17%	0.172	S	C	.	.	S	Bend	trans	-103	157.2	169.8	-63.8	-21	0	0	0	109.7	H175 L202 K305	H175-N200 PolarHBondContact CD2-ND2 3.34Å; H175-N200 PolarHBondContact CE1-ND2 3.29Å; H175-N200 PolarHBondContact CE1-OD1 2.78Å; H175-N200 PolarHBondContact ND1-ND2 3.29Å; H175-N200 PolarHBondContact ND1-OD1 3.41Å; H175-N200 VanDerWaalsContact ND1-OD1 3.16Å; H175-N200 PolarHBondContact NE2-ND2 2.86Å; N200-L202 PolarHBondContact O-N 3.27Å; N200-K305 PolarHBondContact OD1-NZ 2.81Å
201	G	88.7	Confident	96.9	Very high	37 Å²	37	34.5 Å²	34.5	38%	0.381	19%	0.191	S	C	.	.	S	Bend	trans	79.6	-11.7	175.8	0	0	0	0	0	115.8	K307	G201-K307 VanDerWaalsContact O-CD 3.26Å; G201-K307 WeakPolarHBondContact O-CD 3.45Å; G201-K307 WeakPolarHBondContact O-CE 3.09Å; G201-K307 PolarHBondContact O-NZ 3.01Å
202	L	90.4	Very high	96.8	Very high	103 Å²	103	37.4 Å²	37.4	54%	0.539	21%	0.211	S	C	.	.	S	Bend	trans	-129.6	147.4	171.5	-64.9	174.5	0	0	0	109.9	N200 C204	N200-L202 PolarHBondContact O-N 3.27Å; L202-C204 PolarHBondContact O-N 2.88Å
203	P	94.9	Very high	96.8	Very high	74 Å²	74	38.4 Å²	38.4	48%	0.481	21%	0.211	S	C	.	.			trans	-61.5	134.3	171.1	-21	33.2	0	0	0	111.4	T304 K305	P203-T304 HydrophobicContact CB-CG2 3.97Å; P203-K305 WeakPolarHBondContact CA-O 3.4Å
204	C	98.1	Very high	96.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.9	173	-60.5	0	0	0	0	110.5	V177 D178 M198 K199 L202 T304 K305	V177-C204 PolarHBondContact O-SG 2.84Å; D178-C204 VanDerWaalsContact O-CA 3.27Å; D178-C204 WeakPolarHBondContact O-CA 3.44Å; D178-C204 VanDerWaalsContact O-CB 3.3Å; D178-C204 WeakPolarHBondContact O-CB 3.42Å; M198-C204 HydrophobicContact CB-CB 3.85Å; M198-C204 HydrophobicContact CG-CB 3.84Å; M198-C204 HydrophobicContact SD-CB 3.75Å; K199-C204 PolarHBondContact N-SG 3.4Å; L202-C204 PolarHBondContact O-N 2.88Å; C204-T304 WeakPolarHBondContact O-CA 3.04Å; C204-K305 HydrophobicContact CB-CB 4.29Å; C204-K305 PolarHBondContact N-O 3.07Å; C204-K305 PolarHBondContact O-N 3.36Å
205	R	98.5	Very high	96.9	Very high	41 Å²	41	44 Å²	44	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.9	-178.4	-61.4	-64.9	-69.9	-177.6	-4	111.6	Q100 L101 D102 D178 A179 L180 M198 D230 T304	Q100-R205 PolarHBondContact O-NE 2.92Å; Q100-R205 PolarHBondContact O-NH2 3.33Å; Q100-R205 VanDerWaalsContact O-NH2 3.09Å; L101-R205 HydrophobicContact CB-CB 4.49Å; L101-R205 HydrophobicContact CD2-CB 3.93Å; D102-R205 HydrophobicContact CB-CG 4.41Å; D178-R205 PolarHBondContact O-N 2.89Å; A179-R205 CarbonylContact C-O 3.51Å; A179-R205 WeakPolarHBondContact CA-O 3.46Å; A179-R205 HydrophobicContact CB-CB 4.45Å; L180-R205 PolarHBondContact N-O 3.32Å; M198-R205 VanDerWaalsContact CE-O 3.28Å; M198-R205 WeakPolarHBondContact CE-O 3.29Å; R205-D230 IonicContact CZ-OD2 2.71Å; R205-D230 IonicContact NH1-OD2 3.09Å; R205-D230 PolarHBondContact NH1-OD2 3.03Å; R205-T304 PolarHBondContact NH1-OG1 3.31Å
206	F	98.7	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.6	173.5	177.2	-93.2	0	0	0	109.4	L180 L182 I191 A194 M198 T219 L223 F228 F302 A303	L180-F206 HydrophobicContact CD2-CD2 4.11Å; L180-F206 HydrophobicContact CD2-CE2 4.02Å; L180-F206 CarbonylContact O-C 3.5Å; L180-F206 WeakPolarHBondContact O-CA 3.47Å; L182-F206 HydrophobicContact CD1-CE2 3.68Å; L182-F206 HydrophobicContact CD1-CZ 3.72Å; L182-F206 HydrophobicContact CG-CE2 3.97Å; L182-F206 HydrophobicContact CG-CZ 4.16Å; I191-F206 HydrophobicContact CG1-CE2 4.4Å; I191-F206 HydrophobicContact CG1-CZ 4.16Å; A194-F206 HydrophobicContact CB-CE2 4.39Å; M198-F206 HydrophobicContact CE-CB 3.84Å; M198-F206 HydrophobicContact CE-CD2 4.12Å; F206-T219 HydrophobicContact CE1-CG2 4.34Å; F206-L223 HydrophobicContact CD1-CD1 4.1Å; F206-L223 HydrophobicContact CD1-CD2 3.67Å; F206-L223 HydrophobicContact CD1-CG 4.48Å; F206-L223 HydrophobicContact CE1-CD1 3.97Å; F206-L223 HydrophobicContact CE1-CD2 3.77Å; F206-L223 HydrophobicContact CE1-CG 4.3Å; F206-L223 HydrophobicContact CG-CD2 4.08Å; F206-L223 HydrophobicContact CZ-CD2 4.25Å; F206-F228 HydrophobicContact CB-CD1 4.19Å; F206-F228 HydrophobicContact CB-CE1 3.79Å; F206-F228 HydrophobicContact CG-CE1 4.33Å; F206-F302 CarbonylContact O-C 3.59Å; F206-F302 VanDerWaalsContact O-CA 3.23Å; F206-F302 WeakPolarHBondContact O-CA 3.48Å; F206-A303 HydrophobicContact CB-CB 4.32Å; F206-A303 HydrophobicContact CD1-CB 4.38Å; F206-A303 PolarHBondContact N-O 3.09Å; F206-A303 PolarHBondContact O-N 3.16Å
207	G	98.7	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.9	169.4	0	0	0	0	0	111.2	L180 F181 L182 T301	L180-G207 PolarHBondContact O-N 3.25Å; F181-G207 CarbonylContact C-O 3.6Å; F181-G207 VanDerWaalsContact CA-O 3.31Å; F181-G207 WeakPolarHBondContact CA-O 3.21Å; L182-G207 PolarHBondContact N-O 3.16Å; G207-T301 CarbonylContact C-O 3.56Å; G207-T301 WeakPolarHBondContact CA-O 3.41Å
208	S	98.7	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.8	172.1	57.3	0	0	0	0	110.9	L182 L300 T301	L182-S208 CarbonylContact O-C 3.59Å; L182-S208 WeakPolarHBondContact O-CA 3.49Å; S208-L300 CarbonylContact O-C 3.59Å; S208-L300 WeakPolarHBondContact O-CA 3.49Å; S208-T301 PolarHBondContact N-O 3.2Å; S208-T301 PolarHBondContact O-N 3.18Å; S208-T301 PolarHBondContact OG-O 3.48Å
209	F	98.6	Very high	97	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.088	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.6	170.9	178	-97.2	0	0	0	110	L89 F181 L182 D183 T297 Y299 L300	L89-F209 HydrophobicContact CD2-CB 4.43Å; L89-F209 HydrophobicContact CD2-CD1 4.22Å; L89-F209 HydrophobicContact CD2-CD2 3.52Å; L89-F209 HydrophobicContact CD2-CE1 4.33Å; L89-F209 HydrophobicContact CD2-CE2 3.62Å; L89-F209 HydrophobicContact CD2-CG 3.81Å; L89-F209 HydrophobicContact CD2-CZ 4.03Å; F181-F209 HydrophobicContact CE1-CB 4.35Å; F181-F209 HydrophobicContact CZ-CB 3.89Å; L182-F209 PolarHBondContact O-N 3.01Å; D183-F209 WeakPolarHBondContact OD1-CD1 3.18Å; F209-T297 WeakPolarHBondContact CZ-O 3.26Å; F209-Y299 WeakPolarHBondContact CA-O 3.18Å; F209-L300 HydrophobicContact CB-CD2 4.16Å; F209-L300 HydrophobicContact CD2-CD2 3.8Å; F209-L300 HydrophobicContact CD2-CG 4.5Å; F209-L300 HydrophobicContact CG-CD2 4.49Å
210	S	98.2	Very high	97.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	127.9	175.3	-70.6	0	0	0	0	111.5	Y299	S210-Y299 PolarHBondContact N-O 2.97Å; S210-Y299 WeakPolarHBondContact O-CD2 3.37Å; S210-Y299 PolarHBondContact O-N 3.23Å
211	P	96.9	Very high	97.3	Very high	61 Å²	61	43.8 Å²	43.8	40%	0.396	25%	0.246	S	C	.	.	S	Bend	trans	-70	-32.4	178.7	25.9	-34.3	0	0	0	113.5	H296	P211-H296 PolarHBondContact O-NE2 3.28Å
212	C	97.4	Very high	97.8	Very high	61 Å²	61	42.7 Å²	42.7	41%	0.412	23%	0.233	S	C	.	.	S	Bend	trans	-105.5	146.4	-174	-57.5	0	0	0	0	112.4	E214 Q215 V216	C212-E214 VanDerWaalsContact C-N 3.31Å; C212-E214 WeakPolarHBondContact CB-OE2 3.35Å; C212-E214 PolarHBondContact O-N 3.07Å; C212-Q215 HydrophobicContact CB-CG 4.16Å; C212-Q215 WeakPolarHBondContact O-CB 3.22Å; C212-Q215 PolarHBondContact O-N 3.25Å; C212-V216 PolarHBondContact O-N 3.14Å
213	I	97.7	Very high	98.2	Very high	72 Å²	72	37.8 Å²	37.8	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-70.2	-28.7	-177.4	-166.3	62.7	0	0	0	112.3	Q215 V216 Q217 Y299	I213-Q215 VanDerWaalsContact C-N 3.29Å; I213-Q215 PolarHBondContact O-N 3.46Å; I213-V216 HydrophobicContact CD1-CB 4.25Å; I213-V216 HydrophobicContact CD1-CG1 4.44Å; I213-V216 WeakPolarHBondContact O-CB 3.26Å; I213-V216 PolarHBondContact O-N 3.03Å; I213-Q217 WeakPolarHBondContact O-CG 3.48Å; I213-Q217 PolarHBondContact O-N 3.36Å; I213-Y299 HydrophobicContact CB-CE2 4.15Å; I213-Y299 HydrophobicContact CD1-CE1 4.48Å; I213-Y299 HydrophobicContact CD1-CE2 4.24Å
214	E	98.2	Very high	98.4	Very high	109 Å²	109	40.3 Å²	40.3	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-32.7	176.6	-58.9	83.2	173.7	0	0	111.5	C212 Q218	C212-E214 VanDerWaalsContact C-N 3.31Å; C212-E214 WeakPolarHBondContact CB-OE2 3.35Å; C212-E214 PolarHBondContact O-N 3.07Å; E214-Q218 WeakPolarHBondContact O-CG 3.38Å; E214-Q218 PolarHBondContact O-N 3.48Å; E214-Q218 PolarHBondContact O-NE2 2.92Å
215	Q	98.5	Very high	98.4	Very high	30 Å²	30	47.8 Å²	47.8	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-41.1	173.5	-65.2	172.8	-60.1	0	0	110.7	P185 W188 C212 I213 Q218 T219	P185-Q215 PolarHBondContact O-NE2 3.09Å; W188-Q215 HydrophobicContact CH2-CG 4.15Å; W188-Q215 HydrophobicContact CZ3-CB 3.74Å; W188-Q215 HydrophobicContact CZ3-CG 3.83Å; C212-Q215 HydrophobicContact CB-CG 4.16Å; C212-Q215 WeakPolarHBondContact O-CB 3.22Å; C212-Q215 PolarHBondContact O-N 3.25Å; I213-Q215 VanDerWaalsContact C-N 3.29Å; I213-Q215 PolarHBondContact O-N 3.46Å; Q215-Q218 PolarHBondContact O-N 3.5Å; Q215-T219 WeakPolarHBondContact O-CB 3.34Å; Q215-T219 PolarHBondContact O-N 3.45Å; Q215-T219 PolarHBondContact O-OG1 3.07Å
216	V	98.6	Very high	98.3	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-48.4	173.9	174.2	0	0	0	0	110.8	C212 I213 Q218 T219 C220 T233 Y299	C212-V216 PolarHBondContact O-N 3.14Å; I213-V216 HydrophobicContact CD1-CB 4.25Å; I213-V216 HydrophobicContact CD1-CG1 4.44Å; I213-V216 WeakPolarHBondContact O-CB 3.26Å; I213-V216 PolarHBondContact O-N 3.03Å; V216-Q218 VanDerWaalsContact C-N 3.33Å; V216-Q218 PolarHBondContact O-N 3.07Å; V216-T219 WeakPolarHBondContact O-CB 3.38Å; V216-T219 PolarHBondContact O-N 3.02Å; V216-T219 VanDerWaalsContact O-N 3.12Å; V216-C220 WeakPolarHBondContact O-CB 3.46Å; V216-C220 PolarHBondContact O-N 2.69Å; V216-C220 PolarHBondContact O-SG 3.02Å; V216-C220 VanDerWaalsContact O-SG 3.38Å; V216-T233 HydrophobicContact CG1-CG2 3.82Å; V216-Y299 VanDerWaalsContact CG2-CB 3.47Å; V216-Y299 HydrophobicContact CG2-CD2 3.77Å; V216-Y299 HydrophobicContact CG2-CG 3.82Å
217	Q	98.6	Very high	98.2	Very high	119 Å²	119	51.5 Å²	51.5	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-57.2	-44.7	-179.7	-74.1	171.7	-19.1	0	0	112.2	I213 S221	I213-Q217 WeakPolarHBondContact O-CG 3.48Å; I213-Q217 PolarHBondContact O-N 3.36Å; Q217-S221 WeakPolarHBondContact O-CB 3.5Å; Q217-S221 PolarHBondContact O-N 3.28Å; Q217-S221 PolarHBondContact O-OG 3.37Å
218	Q	98.7	Very high	98.2	Very high	86 Å²	86	51.8 Å²	51.8	40%	0.402	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-41.9	176.4	-72.7	-178.8	81	0	0	111.9	W188 E214 Q215 V216 S221 A222	W188-Q218 HydrophobicContact CB-CB 4.23Å; W188-Q218 HydrophobicContact CD2-CB 3.56Å; W188-Q218 HydrophobicContact CD2-CG 4.43Å; W188-Q218 HydrophobicContact CE3-CB 3.62Å; W188-Q218 HydrophobicContact CG-CB 3.85Å; W188-Q218 VanDerWaalsContact CZ2-OE1 3.28Å; W188-Q218 HydrophobicContact CZ3-CB 4.21Å; E214-Q218 WeakPolarHBondContact O-CG 3.38Å; E214-Q218 PolarHBondContact O-N 3.48Å; E214-Q218 PolarHBondContact O-NE2 2.92Å; Q215-Q218 PolarHBondContact O-N 3.5Å; V216-Q218 VanDerWaalsContact C-N 3.33Å; V216-Q218 PolarHBondContact O-N 3.07Å; Q218-S221 PolarHBondContact O-N 3.16Å; Q218-A222 WeakPolarHBondContact O-CB 3.48Å; Q218-A222 PolarHBondContact O-N 2.97Å
219	T	98.7	Very high	98.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-50.3	177.7	-55.4	0	0	0	0	111.3	P187 I191 F206 Q215 V216 S221 A222 L223	P187-T219 WeakPolarHBondContact CG-OG1 3.48Å; I191-T219 HydrophobicContact CD1-CG2 4.04Å; I191-T219 WeakPolarHBondContact CD1-O 3.28Å; F206-T219 HydrophobicContact CE1-CG2 4.34Å; Q215-T219 WeakPolarHBondContact O-CB 3.34Å; Q215-T219 PolarHBondContact O-N 3.45Å; Q215-T219 PolarHBondContact O-OG1 3.07Å; V216-T219 WeakPolarHBondContact O-CB 3.38Å; V216-T219 PolarHBondContact O-N 3.02Å; V216-T219 VanDerWaalsContact O-N 3.12Å; T219-S221 VanDerWaalsContact C-N 3.32Å; T219-S221 PolarHBondContact O-N 3.49Å; T219-A222 PolarHBondContact O-N 2.95Å; T219-L223 HydrophobicContact CG2-CD1 4.15Å; T219-L223 HydrophobicContact CG2-CG 4.47Å; T219-L223 WeakPolarHBondContact O-CB 3.47Å; T219-L223 VanDerWaalsContact O-CG 3.3Å; T219-L223 WeakPolarHBondContact O-CG 3.37Å; T219-L223 PolarHBondContact O-N 3.25Å
220	C	98.7	Very high	98.1	Very high	21 Å²	21	58.9 Å²	58.9	14%	0.142	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-40.5	176.5	-68.5	0	0	0	0	112.1	V216 L223 H224 I231	V216-C220 WeakPolarHBondContact O-CB 3.46Å; V216-C220 PolarHBondContact O-N 2.69Å; V216-C220 PolarHBondContact O-SG 3.02Å; V216-C220 VanDerWaalsContact O-SG 3.38Å; C220-L223 PolarHBondContact O-N 2.88Å; C220-H224 PolarHBondContact O-N 3.23Å; C220-H224 PolarHBondContact O-ND1 3.1Å; C220-H224 VanDerWaalsContact O-ND1 3.08Å; C220-I231 HydrophobicContact CB-CG2 4.35Å
221	S	98.6	Very high	98.1	Very high	77 Å²	77	60.7 Å²	60.7	54%	0.538	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-43.1	176.9	-60.8	0	0	0	0	111.7	Q217 Q218 T219 K225	Q217-S221 WeakPolarHBondContact O-CB 3.5Å; Q217-S221 PolarHBondContact O-N 3.28Å; Q217-S221 PolarHBondContact O-OG 3.37Å; Q218-S221 PolarHBondContact O-N 3.16Å; T219-S221 VanDerWaalsContact C-N 3.32Å; T219-S221 PolarHBondContact O-N 3.49Å; S221-K225 WeakPolarHBondContact O-CB 3.31Å; S221-K225 PolarHBondContact O-N 3.31Å
222	A	98.6	Very high	98.2	Very high	14 Å²	14	60 Å²	60	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-70.2	-38.3	176.5	0	0	0	0	0	112.3	W188 I191 Q218 T219 H224 K225 Y226	W188-A222 HydrophobicContact CB-CB 3.94Å; I191-A222 HydrophobicContact CD1-CB 3.48Å; I191-A222 VanDerWaalsContact CD1-CB 3.48Å; Q218-A222 WeakPolarHBondContact O-CB 3.48Å; Q218-A222 PolarHBondContact O-N 2.97Å; T219-A222 PolarHBondContact O-N 2.95Å; A222-H224 PolarHBondContact O-N 3.48Å; A222-K225 WeakPolarHBondContact O-CB 3.22Å; A222-K225 PolarHBondContact O-N 2.52Å; A222-Y226 WeakPolarHBondContact O-CD2 3.46Å; A222-Y226 PolarHBondContact O-N 3.19Å
223	L	98.7	Very high	98.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.3	-48.5	173	-74.9	170.3	0	0	0	111.2	I191 F206 T219 C220 Y226 G227 F228 I231 T301 A303	I191-L223 HydrophobicContact CD1-CD2 4.01Å; I191-L223 HydrophobicContact CD1-CG 3.8Å; I191-L223 HydrophobicContact CG1-CD2 4.31Å; I191-L223 HydrophobicContact CG2-CD2 4.11Å; F206-L223 HydrophobicContact CD1-CD1 4.1Å; F206-L223 HydrophobicContact CD1-CD2 3.67Å; F206-L223 HydrophobicContact CD1-CG 4.48Å; F206-L223 HydrophobicContact CE1-CD1 3.97Å; F206-L223 HydrophobicContact CE1-CD2 3.77Å; F206-L223 HydrophobicContact CE1-CG 4.3Å; F206-L223 HydrophobicContact CG-CD2 4.08Å; F206-L223 HydrophobicContact CZ-CD2 4.25Å; T219-L223 HydrophobicContact CG2-CD1 4.15Å; T219-L223 HydrophobicContact CG2-CG 4.47Å; T219-L223 WeakPolarHBondContact O-CB 3.47Å; T219-L223 VanDerWaalsContact O-CG 3.3Å; T219-L223 WeakPolarHBondContact O-CG 3.37Å; T219-L223 PolarHBondContact O-N 3.25Å; C220-L223 PolarHBondContact O-N 2.88Å; L223-Y226 CarbonylContact O-C 3.56Å; L223-Y226 PolarHBondContact O-N 2.69Å; L223-G227 PolarHBondContact O-N 3.34Å; L223-G227 VanDerWaalsContact O-N 3.16Å; L223-F228 HydrophobicContact CB-CB 4.1Å; L223-F228 HydrophobicContact CD2-CB 4.02Å; L223-F228 HydrophobicContact CD2-CD1 3.97Å; L223-F228 HydrophobicContact CD2-CD2 3.68Å; L223-F228 HydrophobicContact CD2-CE1 4.35Å; L223-F228 HydrophobicContact CD2-CE2 4.08Å; L223-F228 HydrophobicContact CD2-CG 3.62Å; L223-F228 HydrophobicContact CD2-CZ 4.4Å; L223-F228 WeakPolarHBondContact O-CB 3.43Å; L223-F228 PolarHBondContact O-N 3.3Å; L223-I231 HydrophobicContact CB-CD1 3.59Å; L223-I231 HydrophobicContact CB-CG1 4.13Å; L223-I231 HydrophobicContact CD1-CG1 4.33Å; L223-I231 HydrophobicContact CD1-CG2 4.18Å; L223-T301 HydrophobicContact CD1-CG2 3.97Å; L223-A303 HydrophobicContact CD1-CB 3.99Å; L223-A303 HydrophobicContact CD2-CB 4.12Å
224	H	98.1	Very high	98.2	Very high	127 Å²	127	58.8 Å²	58.8	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-58.7	-48.2	173.9	-74.8	128.3	0	0	0	111.9	C220 A222 Y226 G227 I231	C220-H224 PolarHBondContact O-N 3.23Å; C220-H224 PolarHBondContact O-ND1 3.1Å; C220-H224 VanDerWaalsContact O-ND1 3.08Å; A222-H224 PolarHBondContact O-N 3.48Å; H224-Y226 PolarHBondContact O-N 2.76Å; H224-G227 PolarHBondContact O-N 2.8Å; H224-I231 VanDerWaalsContact CD2-CD1 3.41Å; H224-I231 WeakPolarHBondContact CD2-CD1 3.27Å
225	K	98.2	Very high	98	Very high	158 Å²	158	56.9 Å²	56.9	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-55.8	-39.1	178.8	179.3	-176	176.9	-176.2	0	112.3	S221 A222 G227	S221-K225 WeakPolarHBondContact O-CB 3.31Å; S221-K225 PolarHBondContact O-N 3.31Å; A222-K225 WeakPolarHBondContact O-CB 3.22Å; A222-K225 PolarHBondContact O-N 2.52Å; K225-G227 VanDerWaalsContact C-N 3.32Å
226	Y	97.7	Very high	97.8	Very high	75 Å²	75	56.9 Å²	56.9	29%	0.294	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.6	179.2	-68.8	-69.7	0	0	0	113.5	I191 S192 K195 A222 L223 H224	I191-Y226 HydrophobicContact CB-CD2 4.18Å; I191-Y226 HydrophobicContact CG2-CD2 3.57Å; I191-Y226 HydrophobicContact CG2-CE2 4.46Å; I191-Y226 HydrophobicContact CG2-CG 4.11Å; S192-Y226 VanDerWaalsContact CB-CZ 3.48Å; K195-Y226 VanDerWaalsContact CD-O 3.25Å; K195-Y226 WeakPolarHBondContact CD-O 3.46Å; K195-Y226 WeakPolarHBondContact CE-O 3.42Å; K195-Y226 PolarHBondContact NZ-O 3.46Å; A222-Y226 WeakPolarHBondContact O-CD2 3.46Å; A222-Y226 PolarHBondContact O-N 3.19Å; L223-Y226 CarbonylContact O-C 3.56Å; L223-Y226 PolarHBondContact O-N 2.69Å; H224-Y226 PolarHBondContact O-N 2.76Å
227	G	97	Very high	97.4	Very high	44 Å²	44	60.1 Å²	60.1	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	26.1	171	0	0	0	0	0	114.7	L223 H224 K225	L223-G227 PolarHBondContact O-N 3.34Å; L223-G227 VanDerWaalsContact O-N 3.16Å; H224-G227 PolarHBondContact O-N 2.8Å; K225-G227 VanDerWaalsContact C-N 3.32Å
228	F	98.3	Very high	96.8	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.4	164.1	-73.4	-101.1	0	0	0	109.9	I191 K195 M198 F206 L223 A303 T304 K305	I191-F228 HydrophobicContact CG2-CD2 4.23Å; I191-F228 HydrophobicContact CG2-CE2 3.74Å; K195-F228 HydrophobicContact CB-CE2 3.94Å; K195-F228 HydrophobicContact CB-CZ 4.06Å; K195-F228 HydrophobicContact CD-CE2 4.39Å; K195-F228 HydrophobicContact CG-CE2 4.33Å; K195-F228 HydrophobicContact CG-CZ 4.5Å; M198-F228 HydrophobicContact CE-CE1 4.28Å; M198-F228 HydrophobicContact SD-CE1 3.86Å; M198-F228 HydrophobicContact SD-CZ 4.07Å; F206-F228 HydrophobicContact CB-CD1 4.19Å; F206-F228 HydrophobicContact CB-CE1 3.79Å; F206-F228 HydrophobicContact CG-CE1 4.33Å; L223-F228 HydrophobicContact CB-CB 4.1Å; L223-F228 HydrophobicContact CD2-CB 4.02Å; L223-F228 HydrophobicContact CD2-CD1 3.97Å; L223-F228 HydrophobicContact CD2-CD2 3.68Å; L223-F228 HydrophobicContact CD2-CE1 4.35Å; L223-F228 HydrophobicContact CD2-CE2 4.08Å; L223-F228 HydrophobicContact CD2-CG 3.62Å; L223-F228 HydrophobicContact CD2-CZ 4.4Å; L223-F228 WeakPolarHBondContact O-CB 3.43Å; L223-F228 PolarHBondContact O-N 3.3Å; F228-A303 HydrophobicContact CB-CB 3.99Å; F228-A303 HydrophobicContact CD1-CB 3.99Å; F228-A303 HydrophobicContact CG-CB 4.35Å; F228-T304 WeakPolarHBondContact CA-O 3.46Å; F228-K305 HydrophobicContact CD1-CB 4.07Å; F228-K305 HydrophobicContact CE1-CB 3.71Å; F228-K305 HydrophobicContact CZ-CB 4.31Å
229	V	97.8	Very high	96.4	Very high	68 Å²	68	60.5 Å²	60.5	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	175.2	177.3	-54.6	0	0	0	0	109.9	I231 T304 M306	V229-I231 PolarHBondContact O-N 3.04Å; V229-T304 PolarHBondContact N-O 3.45Å; V229-T304 PolarHBondContact O-N 3.49Å; V229-M306 HydrophobicContact CG1-CG 4.33Å; V229-M306 HydrophobicContact CG2-CG 3.4Å; V229-M306 HydrophobicContact CG2-SD 4.03Å
230	D	96.9	Very high	95.9	Very high	100 Å²	100	63.7 Å²	63.7	54%	0.535	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	41.9	178.3	-170.9	42.3	0	0	0	112	R205 V232	R205-D230 IonicContact CZ-OD2 2.71Å; R205-D230 IonicContact NH1-OD2 3.09Å; R205-D230 PolarHBondContact NH1-OD2 3.03Å; D230-V232 PolarHBondContact O-N 3.42Å
231	I	98.4	Very high	95.6	Very high	40 Å²	40	67.3 Å²	67.3	21%	0.205	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.4	-179.2	-61.8	163	0	0	0	108.1	C220 L223 H224 V229 T301 F302 A303	C220-I231 HydrophobicContact CB-CG2 4.35Å; L223-I231 HydrophobicContact CB-CD1 3.59Å; L223-I231 HydrophobicContact CB-CG1 4.13Å; L223-I231 HydrophobicContact CD1-CG1 4.33Å; L223-I231 HydrophobicContact CD1-CG2 4.18Å; H224-I231 VanDerWaalsContact CD2-CD1 3.41Å; H224-I231 WeakPolarHBondContact CD2-CD1 3.27Å; V229-I231 PolarHBondContact O-N 3.04Å; I231-T301 HydrophobicContact CG2-CG2 4.14Å; I231-F302 VanDerWaalsContact CA-O 3.32Å; I231-F302 WeakPolarHBondContact CA-O 3.41Å; I231-A303 HydrophobicContact CG1-CB 3.76Å
232	V	98.2	Very high	95.2	Very high	45 Å²	45	70.1 Å²	70.1	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	-179.9	62.6	0	0	0	0	109.9	D230 M234 T301 F302	D230-V232 PolarHBondContact O-N 3.42Å; V232-M234 HydrophobicContact CG1-CE 4.08Å; V232-M234 HydrophobicContact CG2-CE 3.68Å; V232-M234 HydrophobicContact CG2-CG 4.25Å; V232-T301 CarbonylContact O-C 3.51Å; V232-T301 WeakPolarHBondContact O-CA 3.33Å; V232-F302 HydrophobicContact CG1-CB 3.93Å; V232-F302 HydrophobicContact CG1-CD2 4.45Å; V232-F302 PolarHBondContact N-O 2.95Å; V232-F302 PolarHBondContact O-N 3.46Å
233	T	98.5	Very high	94.9	Very high	57 Å²	57	73.7 Å²	73.7	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135	173.1	-59.4	0	0	0	0	109.7	V216 Y299 L300 T301	V216-T233 HydrophobicContact CG1-CG2 3.82Å; T233-Y299 HydrophobicContact CG2-CD1 4.45Å; T233-L300 CarbonylContact C-O 3.54Å; T233-L300 VanDerWaalsContact CA-O 3.31Å; T233-L300 WeakPolarHBondContact CA-O 3.4Å; T233-T301 PolarHBondContact OG1-OG1 3.11Å
234	M	97	Very high	94.4	Very high	51 Å²	51	76.1 Å²	76.1	25%	0.251	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	-179.5	-56.7	-175.5	179.8	0	0	110.6	M96 V232 L236 Y299 L300	M96-M234 HydrophobicContact CG-SD 4.46Å; M96-M234 HydrophobicContact SD-SD 4.27Å; V232-M234 HydrophobicContact CG1-CE 4.08Å; V232-M234 HydrophobicContact CG2-CE 3.68Å; V232-M234 HydrophobicContact CG2-CG 4.25Å; M234-L236 HydrophobicContact CB-CD2 4.46Å; M234-Y299 WeakPolarHBondContact O-CA 3.46Å; M234-L300 PolarHBondContact N-O 3.04Å; M234-L300 PolarHBondContact O-N 3.46Å
235	D	94.5	Very high	94	Very high	69 Å²	69	75.4 Å²	75.4	37%	0.369	39%	0.385	S	S	.	.			trans	-115.7	130.9	161.5	178.8	9.6	0	0	0	107.9	H296 Y299	D235-H296 IonicContact OD1-ND1 2.96Å; D235-H296 IonicContact OD2-ND1 3.98Å; D235-Y299 HydrophobicContact CB-CD1 4.04Å; D235-Y299 HydrophobicContact CB-CE1 4.16Å
236	L	93.9	Very high	93.5	Very high	31 Å²	31	69.9 Å²	69.9	16%	0.162	36%	0.364	C	S	.	.			trans	-107.5	102.7	-173.8	-59.2	-179.2	0	0	0	110.4	K92 M96 M234 L300	K92-L236 HydrophobicContact CD-CB 4.08Å; K92-L236 WeakPolarHBondContact CD-O 3.2Å; K92-L236 VanDerWaalsContact CE-O 3.29Å; K92-L236 WeakPolarHBondContact CE-O 3.36Å; K92-L236 HydrophobicContact CG-CB 4.17Å; K92-L236 HydrophobicContact CG-CD1 4.44Å; K92-L236 PolarHBondContact NZ-O 2.75Å; M96-L236 HydrophobicContact CB-CD1 3.46Å; M96-L236 VanDerWaalsContact CB-CD1 3.46Å; M96-L236 HydrophobicContact CE-CD1 4.45Å; M96-L236 HydrophobicContact CE-CD2 3.97Å; M96-L236 HydrophobicContact CG-CD1 3.84Å; M96-L236 HydrophobicContact CG-CD2 4.46Å; M234-L236 HydrophobicContact CB-CD2 4.46Å; L236-L300 HydrophobicContact CD1-CD1 3.73Å; L236-L300 HydrophobicContact CG-CD1 4.36Å
237	C	90.2	Very high	92.9	Very high	74 Å²	74	69.4 Å²	69.4	50%	0.5	37%	0.369	S	S	.	.			trans	-88.8	111.7	173.3	-80.8	0	0	0	0	111.4	M295	C237-M295 PolarHBondContact SG-O 3.19Å; C237-M295 VanDerWaalsContact SG-O 3.38Å
238	H	87.2	Confident	92.1	Very high	99 Å²	99	71.7 Å²	71.7	46%	0.458	37%	0.37	S	S	.	.			trans	-98.7	138.9	172.8	176.7	-162.6	0	0	0	110.9	K92 L240	K92-H238 HydrophobicContact CD-CB 3.36Å; K92-H238 HydrophobicContact CG-CB 4.23Å; H238-L240 WeakPolarHBondContact NE2-CD2 3.43Å
239	R	89.3	Confident	91.1	Very high	114 Å²	114	76 Å²	76	43%	0.43	39%	0.393	S	S	.	.			trans	-124.1	121.8	172.8	-62.8	-66.7	-177.8	-96.3	-2.9	111
240	L	88.3	Confident	89.8	Confident	68 Å²	68	74.7 Å²	74.7	36%	0.356	38%	0.383	S	S	.	.			trans	-89.6	119.2	173	-71.7	174.2	0	0	0	109.1	H238 K289 Q293	H238-L240 WeakPolarHBondContact NE2-CD2 3.43Å; L240-K289 HydrophobicContact CB-CB 4.03Å; L240-K289 HydrophobicContact CB-CD 4.32Å; L240-K289 WeakPolarHBondContact O-CB 3.47Å; L240-K289 PolarHBondContact O-N 2.83Å; L240-Q293 VanDerWaalsContact N-OE1 3.1Å; L240-Q293 PolarHBondContact O-NE2 2.79Å
241	L	91.4	Very high	88.3	Confident	96 Å²	96	74.5 Å²	74.5	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.7	175.6	-54.9	178.2	0	0	0	109.9	L286 V287	L241-L286 HydrophobicContact CB-CB 4.5Å; L241-L286 HydrophobicContact CB-CD2 4.07Å; L241-L286 HydrophobicContact CD1-CB 4.33Å; L241-L286 HydrophobicContact CD1-CD1 4.14Å; L241-V287 CarbonylContact C-O 3.57Å; L241-V287 WeakPolarHBondContact CA-O 3.25Å
242	R	90.6	Very high	86.5	Confident	137 Å²	137	79.3 Å²	79.3	52%	0.517	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.1	168.8	175.7	169.2	177	-151.5	2.2	108.1	E244 V287 K289	R242-E244 WeakPolarHBondContact CD-OE1 3.27Å; R242-E244 HydrophobicContact CG-CG 4.32Å; R242-E244 IonicContact CZ-OE1 3.6Å; R242-E244 IonicContact CZ-OE2 2.67Å; R242-E244 IonicContact NE-OE1 3.43Å; R242-E244 PolarHBondContact NE-OE1 2.82Å; R242-E244 IonicContact NE-OE2 2.87Å; R242-E244 IonicContact NH1-OE1 2.69Å; R242-E244 PolarHBondContact NH1-OE1 2.95Å; R242-E244 IonicContact NH1-OE2 2.77Å; R242-E244 IonicContact NH2-OE1 3.77Å; R242-E244 IonicContact NH2-OE2 3.52Å; R242-V287 PolarHBondContact N-O 3.32Å; R242-V287 PolarHBondContact O-N 3.08Å; R242-K289 HydrophobicContact CB-CB 4.27Å
243	V	92.1	Very high	84.4	Confident	89 Å²	89	80.2 Å²	80.2	54%	0.539	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	167	-177.8	0	0	0	0	107.4	T284 L286	V243-T284 HydrophobicContact CG1-CG2 3.48Å; V243-T284 VanDerWaalsContact CG1-CG2 3.48Å; V243-L286 HydrophobicContact CG2-CD2 3.62Å
244	E	89.4	Confident	82.3	Confident	50 Å²	50	87.4 Å²	87.4	23%	0.234	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	171.3	-63.5	-70.9	179	0	0	108.9	R242 Y285 V287	R242-E244 WeakPolarHBondContact CD-OE1 3.27Å; R242-E244 HydrophobicContact CG-CG 4.32Å; R242-E244 IonicContact CZ-OE1 3.6Å; R242-E244 IonicContact CZ-OE2 2.67Å; R242-E244 IonicContact NE-OE1 3.43Å; R242-E244 PolarHBondContact NE-OE1 2.82Å; R242-E244 IonicContact NE-OE2 2.87Å; R242-E244 IonicContact NH1-OE1 2.69Å; R242-E244 PolarHBondContact NH1-OE1 2.95Å; R242-E244 IonicContact NH1-OE2 2.77Å; R242-E244 IonicContact NH2-OE1 3.77Å; R242-E244 IonicContact NH2-OE2 3.52Å; E244-Y285 HydrophobicContact CB-CE1 3.91Å; E244-Y285 HydrophobicContact CB-CE2 4.37Å; E244-Y285 PolarHBondContact N-O 2.82Å; E244-Y285 WeakPolarHBondContact O-CD1 3.49Å; E244-Y285 PolarHBondContact O-N 3.47Å; E244-V287 HydrophobicContact CB-CG2 4.43Å; E244-V287 HydrophobicContact CG-CG2 3.51Å
245	E	89.8	Confident	80.1	Confident	113 Å²	113	93.7 Å²	93.7	53%	0.528	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.3	171.1	-60.6	-171.3	140.5	0	0	108.2	K282 W283 T284	E245-K282 WeakPolarHBondContact OE1-CE 3.37Å; E245-K282 IonicContact OE1-NZ 3.9Å; E245-K282 PolarHBondContact OE1-NZ 2.95Å; E245-K282 VanDerWaalsContact OE1-NZ 3.09Å; E245-K282 WeakPolarHBondContact OE2-CE 3.22Å; E245-K282 IonicContact OE2-NZ 3.34Å; E245-K282 PolarHBondContact OE2-NZ 2.91Å; E245-W283 WeakPolarHBondContact CA-O 3.31Å; E245-T284 HydrophobicContact CG-CG2 4.49Å
246	T	87	Confident	77.7	Confident	42 Å²	42	93.1 Å²	93.1	26%	0.258	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.6	174.2	-168.1	0	0	0	0	109.7	L248 K282 W283 Y285	T246-L248 HydrophobicContact CG2-CD1 3.97Å; T246-L248 HydrophobicContact CG2-CD2 4.32Å; T246-L248 HydrophobicContact CG2-CG 3.75Å; T246-K282 WeakPolarHBondContact O-CA 3.47Å; T246-W283 HydrophobicContact CG2-CB 4.15Å; T246-W283 PolarHBondContact N-O 2.89Å; T246-W283 PolarHBondContact O-N 3.22Å; T246-Y285 HydrophobicContact CG2-CD1 3.96Å; T246-Y285 HydrophobicContact CG2-CE1 3.29Å
247	V	85.3	Confident	75.2	Confident	64 Å²	64	96.5 Å²	96.5	39%	0.388	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.9	173.2	179.5	0	0	0	0	106.5	I268 K280 K282	V247-I268 HydrophobicContact CG1-CD1 4.23Å; V247-I268 HydrophobicContact CG2-CD1 4.18Å; V247-K280 HydrophobicContact CG1-CB 3.5Å; V247-K280 HydrophobicContact CG1-CD 3.77Å; V247-K280 HydrophobicContact CG1-CG 4.25Å; V247-K282 HydrophobicContact CG2-CG 4.48Å
248	L	80.4	Confident	73.1	Confident	92 Å²	92	101.5 Å²	101.5	48%	0.482	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	151.5	177.8	-61.7	168.3	0	0	0	109.6	T246 K250 K280 R281 W283	T246-L248 HydrophobicContact CG2-CD1 3.97Å; T246-L248 HydrophobicContact CG2-CD2 4.32Å; T246-L248 HydrophobicContact CG2-CG 3.75Å; L248-K250 PolarHBondContact O-N 2.87Å; L248-K280 WeakPolarHBondContact O-CA 3.29Å; L248-R281 PolarHBondContact N-O 3.05Å; L248-R281 VanDerWaalsContact N-O 3.14Å; L248-R281 PolarHBondContact O-N 2.99Å; L248-W283 HydrophobicContact CD1-CG 4.43Å
249	D	77.8	Confident	71.4	Confident	96 Å²	96	104.5 Å²	104.5	51%	0.513	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	134.4	171.5	-59.6	-23.3	0	0	0	108.9	P251 V278 K280	D249-P251 WeakPolarHBondContact O-CD 3.48Å; D249-V278 HydrophobicContact CB-CG1 4.09Å; D249-V278 WeakPolarHBondContact OD1-CG1 3.35Å; D249-K280 WeakPolarHBondContact OD1-CE 3.49Å; D249-K280 WeakPolarHBondContact OD1-CG 3.48Å
250	K	70.5	Confident	69.6	Low	42 Å²	42	102.3 Å²	102.3	18%	0.183	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-63.7	123.1	172.7	-170.7	177.9	-175.4	173.2	0	106.5	L248 V252 D260 Q279	L248-K250 PolarHBondContact O-N 2.87Å; K250-V252 PolarHBondContact O-N 2.87Å; K250-V252 VanDerWaalsContact O-N 3.1Å; K250-D260 VanDerWaalsContact CE-OD2 3.22Å; K250-D260 WeakPolarHBondContact CE-OD2 3.21Å; K250-D260 IonicContact NZ-OD2 3.95Å; K250-D260 PolarHBondContact NZ-OD2 2.64Å; K250-Q279 HydrophobicContact CB-CB 4.19Å; K250-Q279 VanDerWaalsContact CB-O 3.31Å; K250-Q279 WeakPolarHBondContact CB-O 3.15Å; K250-Q279 PolarHBondContact N-O 2.99Å
251	P	64.7	Low	67.7	Low	96 Å²	96	108.1 Å²	108.1	62%	0.623	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-56.7	124.5	173.7	21	-29.1	0	0	0	107.7	D249 S253	D249-P251 WeakPolarHBondContact O-CD 3.48Å; P251-S253 VanDerWaalsContact C-N 3.26Å; P251-S253 PolarHBondContact O-N 3.4Å
252	V	59.8	Low	65.7	Low	140 Å²	140	115.2 Å²	115.2	85%	0.848	59%	0.586	S	S	*	*			trans	-68.9	88.6	177.9	-178.1	0	0	0	0	107.3	K250 K254	K250-V252 PolarHBondContact O-N 2.87Å; K250-V252 VanDerWaalsContact O-N 3.1Å; V252-K254 PolarHBondContact O-N 2.76Å
253	S	55.4	Low	63.8	Low	65 Å²	65	111.6 Å²	111.6	46%	0.455	58%	0.581	S	S	.	*			trans	-71.7	120.5	164.2	39	0	0	0	0	107.6	P251 E255 S256	P251-S253 VanDerWaalsContact C-N 3.26Å; P251-S253 PolarHBondContact O-N 3.4Å; S253-E255 PolarHBondContact O-N 3.09Å; S253-E255 VanDerWaalsContact O-N 3.08Å; S253-S256 PolarHBondContact OG-OG 3.25Å
254	K	54.6	Low	61.9	Low	207 Å²	207	117 Å²	117	90%	0.9	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-2.2	173.4	-79	-175.6	173.5	-179.1	0	113.6	V252	V252-K254 PolarHBondContact O-N 2.76Å
255	E	49.1	Very low	60.3	Low	184 Å²	184	116.3 Å²	116.3	86%	0.86	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	22.6	-166.3	-69.5	-174.3	159.5	0	0	115.6	S253	S253-E255 PolarHBondContact O-N 3.09Å; S253-E255 VanDerWaalsContact O-N 3.08Å
256	S	44.7	Very low	58.9	Low	56 Å²	56	117.8 Å²	117.8	39%	0.392	61%	0.608	S	S	.	*			trans	-125.8	69.5	176.9	68.7	0	0	0	0	112.7	S253	S253-S256 PolarHBondContact OG-OG 3.25Å
257	S	41.6	Very low	57.8	Low	102 Å²	102	120.5 Å²	120.5	71%	0.713	62%	0.62	S	S	*	*	S	Bend	trans	-77.3	137.2	148.1	49.6	0	0	0	0	108.5
258	E	46.4	Very low	57	Low	179 Å²	179	120.5 Å²	120.5	84%	0.836	62%	0.617	S	S	*	*	S	Bend	trans	87.9	-14.3	163.9	-54.6	-174.3	167.7	0	0	121.3
259	L	50.4	Low	56.4	Low	162 Å²	162	120.3 Å²	120.3	85%	0.848	62%	0.62	S	S	*	*	S	Bend	trans	-102.2	-3.7	-175.9	-75.8	163.3	0	0	0	117.1
260	D	52	Low	56	Low	69 Å²	69	117.9 Å²	117.9	37%	0.369	61%	0.609	S	S	.	*			trans	-98.2	9.7	-168.9	-139.3	9.6	0	0	0	114.7	K250 R262 R281	K250-D260 VanDerWaalsContact CE-OD2 3.22Å; K250-D260 WeakPolarHBondContact CE-OD2 3.21Å; K250-D260 IonicContact NZ-OD2 3.95Å; K250-D260 PolarHBondContact NZ-OD2 2.64Å; D260-R262 PolarHBondContact O-N 2.65Å; D260-R281 IonicContact OD1-NH1 3.82Å
261	E	49	Very low	55.8	Low	190 Å²	190	120.4 Å²	120.4	89%	0.888	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-6.3	-179.5	-69.4	-168.2	162.6	0	0	114.4
262	R	49.2	Very low	56.1	Low	245 Å²	245	118.3 Å²	118.3	93%	0.925	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	10.6	-174.5	-74.6	-174.2	176.8	-179.1	0.3	115.3	D260	D260-R262 PolarHBondContact O-N 2.65Å
263	S	50.6	Low	56.8	Low	60 Å²	60	122.1 Å²	122.1	42%	0.42	62%	0.616	S	S	.	*			trans	-126.7	102.9	-178.6	-135.7	0	0	0	0	111.2	S265 R281	S263-S265 PolarHBondContact O-N 2.86Å; S263-R281 PolarHBondContact OG-NH2 3.07Å
264	E	52.1	Low	57.7	Low	204 Å²	204	126.8 Å²	126.8	95%	0.953	63%	0.631	S	S	*	*			trans	-58.5	8.3	177.2	-70.6	-178.2	148.6	0	0	115.1	E266	E264-E266 PolarHBondContact O-N 2.86Å
265	S	56.5	Low	58.5	Low	35 Å²	35	119.4 Å²	119.4	25%	0.245	61%	0.614	C	S	.	*	S	Bend	trans	-69.9	117.1	174.3	48.5	0	0	0	0	110.6	S263 L267 R281	S263-S265 PolarHBondContact O-N 2.86Å; S265-L267 PolarHBondContact O-N 3.47Å; S265-L267 VanDerWaalsContact O-N 3.1Å; S265-R281 VanDerWaalsContact OG-CZ 3.28Å; S265-R281 PolarHBondContact OG-NE 3.41Å; S265-R281 PolarHBondContact OG-NH2 3.11Å
266	E	60	Low	59.4	Low	143 Å²	143	116.1 Å²	116.1	67%	0.668	60%	0.6	S	S	*	*			trans	-44.3	111.3	178.1	-67.8	176	159.6	0	0	112.2	E264 I268	E264-E266 PolarHBondContact O-N 2.86Å; E266-I268 PolarHBondContact O-N 3.07Å
267	L	64.9	Low	60.6	Low	99 Å²	99	121.7 Å²	121.7	52%	0.518	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.3	117.8	168.6	-98	137.2	0	0	0	108.7	S265 Q279	S265-L267 PolarHBondContact O-N 3.47Å; S265-L267 VanDerWaalsContact O-N 3.1Å; L267-Q279 HydrophobicContact CD2-CB 4.25Å; L267-Q279 HydrophobicContact CD2-CG 4.46Å
268	I	68.4	Low	61.9	Low	64 Å²	64	118.3 Å²	118.3	33%	0.328	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	109.8	177.6	-52.1	174.2	0	0	0	107.5	V247 E266 T270 K280	V247-I268 HydrophobicContact CG1-CD1 4.23Å; V247-I268 HydrophobicContact CG2-CD1 4.18Å; E266-I268 PolarHBondContact O-N 3.07Å; I268-T270 HydrophobicContact CG2-CG2 3.91Å; I268-K280 HydrophobicContact CB-CB 4.42Å; I268-K280 PolarHBondContact N-O 3.39Å; I268-K280 PolarHBondContact O-N 2.87Å
269	V	67.8	Low	63.2	Low	89 Å²	89	114.5 Å²	114.5	54%	0.539	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	117.2	173.7	-175.6	0	0	0	0	108.3	K277	V269-K277 HydrophobicContact CG1-CB 4.28Å; V269-K277 HydrophobicContact CG1-CD 4.27Å; V269-K277 HydrophobicContact CG1-CG 4.31Å
270	T	67.8	Low	64.6	Low	45 Å²	45	109.8 Å²	109.8	28%	0.276	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	161.1	174.3	55.7	0	0	0	0	110.1	I268 K277 V278 K280	I268-T270 HydrophobicContact CG2-CG2 3.91Å; T270-K277 CarbonylContact O-C 3.53Å; T270-V278 PolarHBondContact N-O 3.27Å; T270-V278 PolarHBondContact O-N 3.01Å; T270-K280 VanDerWaalsContact OG1-CE 3.24Å; T270-K280 WeakPolarHBondContact OG1-CE 3.31Å
271	T	66.3	Low	65.8	Low	95 Å²	95	108.7 Å²	108.7	58%	0.583	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.8	173.8	-39.3	0	0	0	0	108.6	G275 M276	T271-G275 VanDerWaalsContact CG2-O 3.24Å; T271-G275 WeakPolarHBondContact CG2-O 3.49Å; T271-M276 CarbonylContact C-O 3.57Å; T271-M276 WeakPolarHBondContact CA-O 3.22Å
272	D	71.6	Confident	67.5	Low	52 Å²	52	103 Å²	103	28%	0.278	51%	0.51	S	S	.	.			trans	-71.9	177.7	173.8	69.9	15.6	0	0	0	112.1	Q274 G275 M276 V278	D272-Q274 PolarHBondContact O-N 3.16Å; D272-Q274 VanDerWaalsContact O-N 3.08Å; D272-Q274 WeakPolarHBondContact OD1-CA 3.43Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.3Å; D272-Q274 PolarHBondContact OD1-N 3.38Å; D272-G275 PolarHBondContact O-N 3.31Å; D272-G275 VanDerWaalsContact O-N 3.09Å; D272-G275 PolarHBondContact OD1-N 3.25Å; D272-M276 PolarHBondContact N-O 3.42Å; D272-M276 PolarHBondContact OD1-N 3.3Å; D272-V278 HydrophobicContact CB-CG2 3.76Å
273	K	75.2	Confident	69.2	Low	219 Å²	219	96 Å²	96	95%	0.952	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15	178.6	-66.4	-175.3	178.7	-179.1	0	113.7
274	Q	73.9	Confident	71.1	Confident	163 Å²	163	97.4 Å²	97.4	76%	0.762	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	0.3	179.6	-64.7	179.8	1.4	0	0	112.7	D272	D272-Q274 PolarHBondContact O-N 3.16Å; D272-Q274 VanDerWaalsContact O-N 3.08Å; D272-Q274 WeakPolarHBondContact OD1-CA 3.43Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.3Å; D272-Q274 PolarHBondContact OD1-N 3.38Å
275	G	70.9	Confident	72.9	Confident	53 Å²	53	92.5 Å²	92.5	55%	0.546	46%	0.464	S	S	.	.	S	Bend	trans	88.9	2.4	-178.4	0	0	0	0	0	114.3	T271 D272	T271-G275 VanDerWaalsContact CG2-O 3.24Å; T271-G275 WeakPolarHBondContact CG2-O 3.49Å; D272-G275 PolarHBondContact O-N 3.31Å; D272-G275 VanDerWaalsContact O-N 3.09Å; D272-G275 PolarHBondContact OD1-N 3.25Å
276	M	68	Low	74.5	Confident	114 Å²	114	96.1 Å²	96.1	56%	0.562	48%	0.48	S	S	*	.			trans	-82.6	138.8	178.8	-58.8	-151.9	-61.3	0	0	111.2	T271 D272 V278	T271-M276 CarbonylContact C-O 3.57Å; T271-M276 WeakPolarHBondContact CA-O 3.22Å; D272-M276 PolarHBondContact N-O 3.42Å; D272-M276 PolarHBondContact OD1-N 3.3Å; M276-V278 PolarHBondContact O-N 3.16Å
277	K	69.2	Low	76	Confident	173 Å²	173	91.2 Å²	91.2	75%	0.752	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	112.4	173.7	-72.4	-175.2	178.7	-179.3	0	109.3	V269 T270	V269-K277 HydrophobicContact CG1-CB 4.28Å; V269-K277 HydrophobicContact CG1-CD 4.27Å; V269-K277 HydrophobicContact CG1-CG 4.31Å; T270-K277 CarbonylContact O-C 3.53Å
278	V	70.4	Confident	77.1	Confident	32 Å²	32	90.2 Å²	90.2	19%	0.194	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.4	170.3	-178.5	0	0	0	0	108.3	D249 T270 D272 M276 K280	D249-V278 HydrophobicContact CB-CG1 4.09Å; D249-V278 WeakPolarHBondContact OD1-CG1 3.35Å; T270-V278 PolarHBondContact N-O 3.27Å; T270-V278 PolarHBondContact O-N 3.01Å; D272-V278 HydrophobicContact CB-CG2 3.76Å; M276-V278 PolarHBondContact O-N 3.16Å; V278-K280 HydrophobicContact CG1-CG 4.12Å; V278-K280 PolarHBondContact O-N 2.87Å
279	Q	73.9	Confident	77.9	Confident	98 Å²	98	90.9 Å²	90.9	46%	0.458	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.2	168.4	-68	-175.2	-2.5	0	0	108.2	K250 L267	K250-Q279 HydrophobicContact CB-CB 4.19Å; K250-Q279 VanDerWaalsContact CB-O 3.31Å; K250-Q279 WeakPolarHBondContact CB-O 3.15Å; K250-Q279 PolarHBondContact N-O 2.99Å; L267-Q279 HydrophobicContact CD2-CB 4.25Å; L267-Q279 HydrophobicContact CD2-CG 4.46Å
280	K	78.7	Confident	78.6	Confident	64 Å²	64	91.9 Å²	91.9	28%	0.278	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.3	171.3	-58.2	-170.4	177.2	-175.1	0	109.7	V247 L248 D249 I268 T270 V278	V247-K280 HydrophobicContact CG1-CB 3.5Å; V247-K280 HydrophobicContact CG1-CD 3.77Å; V247-K280 HydrophobicContact CG1-CG 4.25Å; L248-K280 WeakPolarHBondContact O-CA 3.29Å; D249-K280 WeakPolarHBondContact OD1-CE 3.49Å; D249-K280 WeakPolarHBondContact OD1-CG 3.48Å; I268-K280 HydrophobicContact CB-CB 4.42Å; I268-K280 PolarHBondContact N-O 3.39Å; I268-K280 PolarHBondContact O-N 2.87Å; T270-K280 VanDerWaalsContact OG1-CE 3.24Å; T270-K280 WeakPolarHBondContact OG1-CE 3.31Å; V278-K280 HydrophobicContact CG1-CG 4.12Å; V278-K280 PolarHBondContact O-N 2.87Å
281	R	78.6	Confident	79	Confident	45 Å²	45	102 Å²	102	17%	0.17	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137	174.9	-173.3	173.9	-179	175.5	-2.3	108.6	L248 D260 S263 S265 W283	L248-R281 PolarHBondContact N-O 3.05Å; L248-R281 VanDerWaalsContact N-O 3.14Å; L248-R281 PolarHBondContact O-N 2.99Å; D260-R281 IonicContact OD1-NH1 3.82Å; S263-R281 PolarHBondContact OG-NH2 3.07Å; S265-R281 VanDerWaalsContact OG-CZ 3.28Å; S265-R281 PolarHBondContact OG-NE 3.41Å; S265-R281 PolarHBondContact OG-NH2 3.11Å; R281-W283 HydrophobicContact CB-CZ2 4.34Å; R281-W283 HydrophobicContact CG-CZ2 4.42Å; R281-W283 PolarHBondContact O-NE1 3.41Å
282	K	84.4	Confident	79.8	Confident	72 Å²	72	105.7 Å²	105.7	31%	0.313	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.3	168.9	-168.6	-179.3	-179.8	-169.5	0	108.6	E245 T246 V247	E245-K282 WeakPolarHBondContact OE1-CE 3.37Å; E245-K282 IonicContact OE1-NZ 3.9Å; E245-K282 PolarHBondContact OE1-NZ 2.95Å; E245-K282 VanDerWaalsContact OE1-NZ 3.09Å; E245-K282 WeakPolarHBondContact OE2-CE 3.22Å; E245-K282 IonicContact OE2-NZ 3.34Å; E245-K282 PolarHBondContact OE2-NZ 2.91Å; T246-K282 WeakPolarHBondContact O-CA 3.47Å; V247-K282 HydrophobicContact CG2-CG 4.48Å
283	W	85.1	Confident	80.3	Confident	96 Å²	96	105 Å²	105	36%	0.364	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.2	178.3	-59.3	87.1	0	0	0	109.3	E245 T246 L248 R281	E245-W283 WeakPolarHBondContact CA-O 3.31Å; T246-W283 HydrophobicContact CG2-CB 4.15Å; T246-W283 PolarHBondContact N-O 2.89Å; T246-W283 PolarHBondContact O-N 3.22Å; L248-W283 HydrophobicContact CD1-CG 4.43Å; R281-W283 HydrophobicContact CB-CZ2 4.34Å; R281-W283 HydrophobicContact CG-CZ2 4.42Å; R281-W283 PolarHBondContact O-NE1 3.41Å
284	T	89.4	Confident	80.5	Confident	91 Å²	91	99.5 Å²	99.5	56%	0.558	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	125	169.7	-53.9	0	0	0	0	107.8	V243 E245	V243-T284 HydrophobicContact CG1-CG2 3.48Å; V243-T284 VanDerWaalsContact CG1-CG2 3.48Å; E245-T284 HydrophobicContact CG-CG2 4.49Å
285	Y	89.4	Confident	80.9	Confident	100 Å²	100	97.7 Å²	97.7	39%	0.392	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.3	-173.3	63.1	-70.1	0	0	0	111.3	E244 T246 V287	E244-Y285 HydrophobicContact CB-CE1 3.91Å; E244-Y285 HydrophobicContact CB-CE2 4.37Å; E244-Y285 PolarHBondContact N-O 2.82Å; E244-Y285 WeakPolarHBondContact O-CD1 3.49Å; E244-Y285 PolarHBondContact O-N 3.47Å; T246-Y285 HydrophobicContact CG2-CD1 3.96Å; T246-Y285 HydrophobicContact CG2-CE1 3.29Å; Y285-V287 HydrophobicContact CD2-CG1 3.52Å; Y285-V287 HydrophobicContact CE2-CG1 3.33Å
286	L	91.2	Very high	81.8	Confident	111 Å²	111	98.9 Å²	98.9	58%	0.581	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.2	177.4	-70.6	167.9	0	0	0	109.7	L241 V243	L241-L286 HydrophobicContact CB-CB 4.5Å; L241-L286 HydrophobicContact CB-CD2 4.07Å; L241-L286 HydrophobicContact CD1-CB 4.33Å; L241-L286 HydrophobicContact CD1-CD1 4.14Å; V243-L286 HydrophobicContact CG2-CD2 3.62Å
287	V	90.3	Very high	82.8	Confident	40 Å²	40	95.7 Å²	95.7	24%	0.242	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	171	-66.6	0	0	0	0	110.4	L241 R242 E244 Y285 K289	L241-V287 CarbonylContact C-O 3.57Å; L241-V287 WeakPolarHBondContact CA-O 3.25Å; R242-V287 PolarHBondContact N-O 3.32Å; R242-V287 PolarHBondContact O-N 3.08Å; E244-V287 HydrophobicContact CB-CG2 4.43Å; E244-V287 HydrophobicContact CG-CG2 3.51Å; Y285-V287 HydrophobicContact CD2-CG1 3.52Å; Y285-V287 HydrophobicContact CE2-CG1 3.33Å; V287-K289 PolarHBondContact O-N 3.43Å
288	P	88.8	Confident	84	Confident	78 Å²	78	87.4 Å²	87.4	51%	0.506	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	126.4	167.9	-24.9	35	0	0	0	110.5	Q290	P288-Q290 WeakPolarHBondContact CB-O 3.35Å; P288-Q290 PolarHBondContact O-N 3.17Å; P288-Q290 VanDerWaalsContact O-N 3.11Å
289	K	84.6	Confident	85.4	Confident	79 Å²	79	88.9 Å²	88.9	34%	0.343	42%	0.421	S	S	.	.	S	Bend	trans	-56.4	-29.9	-179.6	-179.8	170.5	-176.5	157	0	113	Y26 L240 R242 V287	Y26-K289 VanDerWaalsContact CD1-NZ 3.35Å; Y26-K289 PolarHBondContact OH-NZ 3.44Å; Y26-K289 VanDerWaalsContact OH-NZ 3.12Å; L240-K289 HydrophobicContact CB-CB 4.03Å; L240-K289 HydrophobicContact CB-CD 4.32Å; L240-K289 WeakPolarHBondContact O-CB 3.47Å; L240-K289 PolarHBondContact O-N 2.83Å; R242-K289 HydrophobicContact CB-CB 4.27Å; V287-K289 PolarHBondContact O-N 3.43Å
290	Q	82.4	Confident	86.5	Confident	110 Å²	110	84.2 Å²	84.2	51%	0.514	40%	0.4	S	S	.	.	S	Bend	trans	-130.9	142	172.1	-70	177.2	-28.3	0	0	107.4	P288 Q292 Q293	P288-Q290 WeakPolarHBondContact CB-O 3.35Å; P288-Q290 PolarHBondContact O-N 3.17Å; P288-Q290 VanDerWaalsContact O-N 3.11Å; Q290-Q292 WeakPolarHBondContact CB-O 3.22Å; Q290-Q292 PolarHBondContact O-N 3.11Å; Q290-Q293 HydrophobicContact CB-CG 4.29Å
291	R	77.6	Confident	87.5	Confident	257 Å²	257	81.2 Å²	81.2	97%	0.97	39%	0.387	S	S	*	.	S	Bend	trans	-60.5	-36.6	179.1	-72.9	-174.6	176.9	-178.9	-0.9	112.2
292	Q	83.2	Confident	88.4	Confident	173 Å²	173	79.1 Å²	79.1	81%	0.808	38%	0.379	S	S	*	.	S	Bend	trans	-111.8	127.8	173.5	-66.2	177.9	-5.8	0	0	107.9	Q290	Q290-Q292 WeakPolarHBondContact CB-O 3.22Å; Q290-Q292 PolarHBondContact O-N 3.11Å
293	Q	80.7	Confident	89.1	Confident	37 Å²	37	75.7 Å²	75.7	17%	0.173	36%	0.364	C	S	.	.			trans	-123.1	139	175.2	-65	-168.7	-18.9	0	0	108.6	L240 Q290 M295	L240-Q293 VanDerWaalsContact N-OE1 3.1Å; L240-Q293 PolarHBondContact O-NE2 2.79Å; Q290-Q293 HydrophobicContact CB-CG 4.29Å; Q293-M295 PolarHBondContact O-N 3.15Å
294	P	80.6	Confident	89.8	Confident	103 Å²	103	71.7 Å²	71.7	67%	0.669	35%	0.35	S	S	*	.			trans	-52.7	127.5	175.6	-24.7	33.6	0	0	0	110.2
295	M	81.6	Confident	90.2	Very high	126 Å²	126	67.8 Å²	67.8	62%	0.621	33%	0.325	S	S	*	.			trans	-93.3	-42.8	-178.2	-164.6	-177.9	-55.2	0	0	111.4	C237 Q293	C237-M295 PolarHBondContact SG-O 3.19Å; C237-M295 VanDerWaalsContact SG-O 3.38Å; Q293-M295 PolarHBondContact O-N 3.15Å
296	H	88.9	Confident	90.3	Very high	78 Å²	78	67.8 Å²	67.8	36%	0.361	33%	0.33	S	S	.	.			trans	-121.4	134.9	-174.6	-174.8	48.4	0	0	0	110.3	P211 D235 G298 Y299	P211-H296 PolarHBondContact O-NE2 3.28Å; D235-H296 IonicContact OD1-ND1 2.96Å; D235-H296 IonicContact OD2-ND1 3.98Å; H296-G298 WeakPolarHBondContact CE1-CA 3.46Å; H296-Y299 AromaticContact CE1-CD2 3.92Å; H296-Y299 AromaticContact CE1-CE2 3.65Å; H296-Y299 AromaticContact CE1-CZ 3.69Å; H296-Y299 AromaticContact NE2-CE2 3.79Å
297	T	90	Very high	89.9	Confident	46 Å²	46	71 Å²	71	28%	0.282	34%	0.34	S	S	.	.	S	Bend	trans	-110.1	-55	165.4	46.9	0	0	0	0	109.1	K92 D93 F209	K92-T297 PolarHBondContact NZ-OG1 2.83Å; K92-T297 VanDerWaalsContact NZ-OG1 3.11Å; D93-T297 PolarHBondContact OD2-OG1 2.84Å; F209-T297 WeakPolarHBondContact CZ-O 3.26Å
298	G	95.2	Very high	89.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.345	C	S	.	.			trans	178.1	167.9	174.7	0	0	0	0	0	109.9	H296	H296-G298 WeakPolarHBondContact CE1-CA 3.46Å
299	Y	98	Very high	89.9	Confident	62 Å²	62	72.3 Å²	72.3	24%	0.243	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.5	176.1	-56.6	-74	0	0	0	110.2	F209 S210 I213 V216 T233 M234 D235 H296	F209-Y299 WeakPolarHBondContact CA-O 3.18Å; S210-Y299 PolarHBondContact N-O 2.97Å; S210-Y299 WeakPolarHBondContact O-CD2 3.37Å; S210-Y299 PolarHBondContact O-N 3.23Å; I213-Y299 HydrophobicContact CB-CE2 4.15Å; I213-Y299 HydrophobicContact CD1-CE1 4.48Å; I213-Y299 HydrophobicContact CD1-CE2 4.24Å; V216-Y299 VanDerWaalsContact CG2-CB 3.47Å; V216-Y299 HydrophobicContact CG2-CD2 3.77Å; V216-Y299 HydrophobicContact CG2-CG 3.82Å; T233-Y299 HydrophobicContact CG2-CD1 4.45Å; M234-Y299 WeakPolarHBondContact O-CA 3.46Å; D235-Y299 HydrophobicContact CB-CD1 4.04Å; D235-Y299 HydrophobicContact CB-CE1 4.16Å; H296-Y299 AromaticContact CE1-CD2 3.92Å; H296-Y299 AromaticContact CE1-CE2 3.65Å; H296-Y299 AromaticContact CE1-CZ 3.69Å; H296-Y299 AromaticContact NE2-CE2 3.79Å
300	L	98.5	Very high	90.2	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.3	170.9	-67.2	171.8	0	0	0	109	D93 M96 I97 F181 S208 F209 T233 M234 L236 F302	D93-L300 HydrophobicContact CB-CD1 4.25Å; M96-L300 HydrophobicContact CB-CD1 4.26Å; M96-L300 HydrophobicContact CG-CD1 4.35Å; I97-L300 HydrophobicContact CD1-CD2 3.78Å; I97-L300 HydrophobicContact CG1-CD1 4.16Å; I97-L300 HydrophobicContact CG1-CD2 3.76Å; F181-L300 HydrophobicContact CE2-CD2 4.37Å; F181-L300 HydrophobicContact CZ-CD2 4.21Å; S208-L300 CarbonylContact O-C 3.59Å; S208-L300 WeakPolarHBondContact O-CA 3.49Å; F209-L300 HydrophobicContact CB-CD2 4.16Å; F209-L300 HydrophobicContact CD2-CD2 3.8Å; F209-L300 HydrophobicContact CD2-CG 4.5Å; F209-L300 HydrophobicContact CG-CD2 4.49Å; T233-L300 CarbonylContact C-O 3.54Å; T233-L300 VanDerWaalsContact CA-O 3.31Å; T233-L300 WeakPolarHBondContact CA-O 3.4Å; M234-L300 PolarHBondContact N-O 3.04Å; M234-L300 PolarHBondContact O-N 3.46Å; L236-L300 HydrophobicContact CD1-CD1 3.73Å; L236-L300 HydrophobicContact CG-CD1 4.36Å; L300-F302 HydrophobicContact CB-CD2 4.49Å; L300-F302 HydrophobicContact CB-CE2 3.63Å; L300-F302 HydrophobicContact CB-CZ 3.91Å; L300-F302 HydrophobicContact CD1-CE2 4.4Å; L300-F302 HydrophobicContact CD1-CZ 4.23Å; L300-F302 HydrophobicContact CG-CZ 4.48Å
301	T	98.8	Very high	90.7	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	175.4	-59.9	0	0	0	0	109.9	G207 S208 L223 I231 V232 T233	G207-T301 CarbonylContact C-O 3.56Å; G207-T301 WeakPolarHBondContact CA-O 3.41Å; S208-T301 PolarHBondContact N-O 3.2Å; S208-T301 PolarHBondContact O-N 3.18Å; S208-T301 PolarHBondContact OG-O 3.48Å; L223-T301 HydrophobicContact CD1-CG2 3.97Å; I231-T301 HydrophobicContact CG2-CG2 4.14Å; V232-T301 CarbonylContact O-C 3.51Å; V232-T301 WeakPolarHBondContact O-CA 3.33Å; T233-T301 PolarHBondContact OG1-OG1 3.11Å
302	F	98.8	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	153.7	177.8	-57.5	-78.1	0	0	0	110.9	M96 I97 Q100 L101 F206 I231 V232 L300	M96-F302 HydrophobicContact CG-CE2 4.27Å; M96-F302 HydrophobicContact CG-CZ 4.41Å; I97-F302 HydrophobicContact CG1-CE1 4.38Å; I97-F302 HydrophobicContact CG1-CZ 4.13Å; Q100-F302 HydrophobicContact CB-CD1 3.55Å; Q100-F302 HydrophobicContact CB-CD2 3.88Å; Q100-F302 HydrophobicContact CB-CE1 3.48Å; Q100-F302 VanDerWaalsContact CB-CE1 3.48Å; Q100-F302 HydrophobicContact CB-CE2 3.81Å; Q100-F302 HydrophobicContact CB-CG 3.75Å; Q100-F302 HydrophobicContact CB-CZ 3.6Å; Q100-F302 HydrophobicContact CG-CD1 4.43Å; Q100-F302 HydrophobicContact CG-CD2 3.87Å; Q100-F302 HydrophobicContact CG-CE1 4.27Å; Q100-F302 HydrophobicContact CG-CE2 3.67Å; Q100-F302 HydrophobicContact CG-CG 4.24Å; Q100-F302 HydrophobicContact CG-CZ 3.89Å; L101-F302 HydrophobicContact CD2-CD1 4.3Å; L101-F302 HydrophobicContact CG-CE1 4.5Å; F206-F302 CarbonylContact O-C 3.59Å; F206-F302 VanDerWaalsContact O-CA 3.23Å; F206-F302 WeakPolarHBondContact O-CA 3.48Å; I231-F302 VanDerWaalsContact CA-O 3.32Å; I231-F302 WeakPolarHBondContact CA-O 3.41Å; V232-F302 HydrophobicContact CG1-CB 3.93Å; V232-F302 HydrophobicContact CG1-CD2 4.45Å; V232-F302 PolarHBondContact N-O 2.95Å; V232-F302 PolarHBondContact O-N 3.46Å; L300-F302 HydrophobicContact CB-CD2 4.49Å; L300-F302 HydrophobicContact CB-CE2 3.63Å; L300-F302 HydrophobicContact CB-CZ 3.91Å; L300-F302 HydrophobicContact CD1-CE2 4.4Å; L300-F302 HydrophobicContact CD1-CZ 4.23Å; L300-F302 HydrophobicContact CG-CZ 4.48Å
303	A	98.7	Very high	92.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.9	174.5	0	0	0	0	0	111.7	F206 L223 F228 I231	F206-A303 HydrophobicContact CB-CB 4.32Å; F206-A303 HydrophobicContact CD1-CB 4.38Å; F206-A303 PolarHBondContact N-O 3.09Å; F206-A303 PolarHBondContact O-N 3.16Å; L223-A303 HydrophobicContact CD1-CB 3.99Å; L223-A303 HydrophobicContact CD2-CB 4.12Å; F228-A303 HydrophobicContact CB-CB 3.99Å; F228-A303 HydrophobicContact CD1-CB 3.99Å; F228-A303 HydrophobicContact CG-CB 4.35Å; I231-A303 HydrophobicContact CG1-CB 3.76Å
304	T	98.5	Very high	92.9	Very high	12 Å²	12	51.3 Å²	51.3	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.6	175.5	-54.5	0	0	0	0	110.8	P203 C204 R205 F228 V229 M306	P203-T304 HydrophobicContact CB-CG2 3.97Å; C204-T304 WeakPolarHBondContact O-CA 3.04Å; R205-T304 PolarHBondContact NH1-OG1 3.31Å; F228-T304 WeakPolarHBondContact CA-O 3.46Å; V229-T304 PolarHBondContact N-O 3.45Å; V229-T304 PolarHBondContact O-N 3.49Å; T304-M306 HydrophobicContact CG2-SD 3.82Å
305	K	97.8	Very high	93.8	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.1	160.9	-177.8	-165	168.4	-162.2	0	107.6	K195 M198 K199 N200 P203 C204 F228	K195-K305 HydrophobicContact CG-CD 4.08Å; K195-K305 HydrophobicContact CG-CG 4.42Å; K195-K305 PolarHBondContact O-NZ 3.45Å; M198-K305 HydrophobicContact CB-CD 3.53Å; M198-K305 HydrophobicContact CG-CD 4.4Å; M198-K305 PolarHBondContact O-NZ 3.15Å; M198-K305 HydrophobicContact SD-CB 3.81Å; M198-K305 HydrophobicContact SD-CD 4.02Å; K199-K305 PolarHBondContact O-NZ 3.3Å; N200-K305 PolarHBondContact OD1-NZ 2.81Å; P203-K305 WeakPolarHBondContact CA-O 3.4Å; C204-K305 HydrophobicContact CB-CB 4.29Å; C204-K305 PolarHBondContact N-O 3.07Å; C204-K305 PolarHBondContact O-N 3.36Å; F228-K305 HydrophobicContact CD1-CB 4.07Å; F228-K305 HydrophobicContact CE1-CB 3.71Å; F228-K305 HydrophobicContact CZ-CB 4.31Å
306	M	92.9	Very high	94.9	Very high	101 Å²	101	40.8 Å²	40.8	50%	0.498	19%	0.191	S	C	.	.			trans	-78.1	167.1	171.8	-65.2	-60.8	-74.9	0	0	111.4	V229 T304	V229-M306 HydrophobicContact CG1-CG 4.33Å; V229-M306 HydrophobicContact CG2-CG 3.4Å; V229-M306 HydrophobicContact CG2-SD 4.03Å; T304-M306 HydrophobicContact CG2-SD 3.82Å
307	K	82.3	Confident	95.4	Very high	179 Å²	179	37.4 Å²	37.4	78%	0.778	18%	0.175	S	C	*	.			trans	-51.4	0	-176.3	-60.3	-170.3	-178.6	-167.7	0	113.6	G201	G201-K307 VanDerWaalsContact O-CD 3.26Å; G201-K307 WeakPolarHBondContact O-CD 3.45Å; G201-K307 WeakPolarHBondContact O-CE 3.09Å; G201-K307 PolarHBondContact O-NZ 3.01Å

Retrieved 307 of 307 residues in 133.4 ms (Link to these results)

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