A0A077ZAD2_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 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	40.6	Very low	39.9	Very low	170 Å²	170	103.1 Å²	103.1	84%	0.837	52%	0.517	S	S	*	.				0	130.9	0	-148.7	179.6	-78.3	0	0	106.2	F3 V13 V14 T15	M1-F3 HydrophobicContact SD-CZ 4.26Å; M1-V13 HydrophobicContact CG-CG1 4.09Å; M1-V13 HydrophobicContact SD-CG1 4.16Å; M1-V14 CarbonylContact C-O 3.56Å; M1-V14 VanDerWaalsContact CA-O 3.29Å; M1-V14 WeakPolarHBondContact CA-O 3.39Å; M1-T15 HydrophobicContact CG-CG2 4.13Å
2	A	33.6	Very low	39.9	Very low	47 Å²	47	98.8 Å²	98.8	39%	0.388	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.7	178.1	0	0	0	0	0	109.5	V14	A2-V14 HydrophobicContact CB-CB 4.28Å; A2-V14 PolarHBondContact N-O 3.14Å; A2-V14 PolarHBondContact O-N 3.04Å
3	F	40.5	Very low	40.4	Very low	114 Å²	114	92.7 Å²	92.7	50%	0.5	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.1	175.6	-60.1	-87.4	0	0	0	107.7	M1 L11 F12 V13	M1-F3 HydrophobicContact SD-CZ 4.26Å; F3-L11 HydrophobicContact CD1-CD2 4.42Å; F3-F12 WeakPolarHBondContact CA-O 3.26Å; F3-V13 HydrophobicContact CD1-CG2 3.96Å; F3-V13 HydrophobicContact CE1-CG1 4.27Å; F3-V13 HydrophobicContact CE1-CG2 3.97Å
4	L	37.7	Very low	40.2	Very low	93 Å²	93	89.4 Å²	89.4	49%	0.487	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.2	176.3	-107.3	125.2	0	0	0	108.3	F12 V14	L4-F12 HydrophobicContact CB-CB 3.96Å; L4-F12 PolarHBondContact N-O 3.45Å; L4-F12 WeakPolarHBondContact O-CB 3.46Å; L4-F12 PolarHBondContact O-N 3.46Å; L4-V14 HydrophobicContact CD1-CG2 4.41Å
5	E	40.2	Very low	40.7	Very low	116 Å²	116	86 Å²	86	54%	0.542	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.1	173	-171.5	174	-172.1	0	0	108.7	E8	E5-E8 WeakPolarHBondContact OE1-CA 3.19Å
6	L	36.4	Very low	40.4	Very low	88 Å²	88	88.6 Å²	88.6	46%	0.461	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.6	171.7	-136.2	102.9	0	0	0	107.7	T10 F12	L6-T10 PolarHBondContact N-O 3.24Å; L6-T10 WeakPolarHBondContact O-CB 3.47Å; L6-T10 PolarHBondContact O-N 3.33Å; L6-F12 HydrophobicContact CB-CD2 4.17Å; L6-F12 HydrophobicContact CB-CE2 3.68Å
7	N	38.8	Very low	39.9	Very low	134 Å²	134	89.2 Å²	89.2	72%	0.717	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	46.6	169.2	-54.2	-19.1	0	0	0	117.4	K9	N7-K9 WeakPolarHBondContact O-CB 3.16Å; N7-K9 WeakPolarHBondContact O-CG 3.25Å; N7-K9 PolarHBondContact O-N 3.46Å
8	E	47.6	Very low	39.5	Very low	149 Å²	149	86.1 Å²	86.1	70%	0.696	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-5.2	177.5	-64	-165	170	0	0	116.7	E5 R24	E5-E8 WeakPolarHBondContact OE1-CA 3.19Å; E8-R24 VanDerWaalsContact O-CD 3.24Å; E8-R24 WeakPolarHBondContact O-CD 3.24Å; E8-R24 PolarHBondContact O-NH1 3.33Å
9	K	39.8	Very low	39.3	Very low	148 Å²	148	86.2 Å²	86.2	64%	0.643	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-15.4	-168.8	-68.2	-175.5	179.7	-176.7	0	113.1	N7 R24	N7-K9 WeakPolarHBondContact O-CB 3.16Å; N7-K9 WeakPolarHBondContact O-CG 3.25Å; N7-K9 PolarHBondContact O-N 3.46Å; K9-R24 WeakPolarHBondContact O-CB 3.33Å; K9-R24 PolarHBondContact O-N 2.84Å
10	T	37.5	Very low	39.2	Very low	31 Å²	31	86 Å²	86	19%	0.19	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120.1	-173.5	-46.1	0	0	0	0	110.8	L6 F12 T21 F22	L6-T10 PolarHBondContact N-O 3.24Å; L6-T10 WeakPolarHBondContact O-CB 3.47Å; L6-T10 PolarHBondContact O-N 3.33Å; T10-F12 HydrophobicContact CG2-CD2 4.21Å; T10-F12 HydrophobicContact CG2-CE2 3.54Å; T10-F12 HydrophobicContact CG2-CZ 3.81Å; T10-T21 HydrophobicContact CG2-CG2 3.57Å; T10-F22 CarbonylContact C-O 3.55Å; T10-F22 VanDerWaalsContact CA-O 3.28Å; T10-F22 WeakPolarHBondContact CA-O 3.07Å; T10-F22 WeakPolarHBondContact CG2-O 3.4Å
11	L	45.7	Very low	38.9	Very low	44 Å²	44	85.8 Å²	85.8	23%	0.23	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.9	175.3	-171.8	79.5	0	0	0	109.1	F3 V13 F22	F3-L11 HydrophobicContact CD1-CD2 4.42Å; L11-V13 HydrophobicContact CD2-CG2 4.12Å; L11-V13 HydrophobicContact CG-CG2 4.47Å; L11-F22 HydrophobicContact CB-CB 4.39Å; L11-F22 PolarHBondContact N-O 2.85Å; L11-F22 PolarHBondContact O-N 3.13Å
12	F	40.8	Very low	38.9	Very low	51 Å²	51	81.6 Å²	81.6	22%	0.224	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.6	171.4	-66.3	-92.1	0	0	0	109.3	F3 L4 L6 T10 V19 F20 T21	F3-F12 WeakPolarHBondContact CA-O 3.26Å; L4-F12 HydrophobicContact CB-CB 3.96Å; L4-F12 PolarHBondContact N-O 3.45Å; L4-F12 WeakPolarHBondContact O-CB 3.46Å; L4-F12 PolarHBondContact O-N 3.46Å; L6-F12 HydrophobicContact CB-CD2 4.17Å; L6-F12 HydrophobicContact CB-CE2 3.68Å; T10-F12 HydrophobicContact CG2-CD2 4.21Å; T10-F12 HydrophobicContact CG2-CE2 3.54Å; T10-F12 HydrophobicContact CG2-CZ 3.81Å; F12-V19 HydrophobicContact CB-CG1 4.42Å; F12-V19 HydrophobicContact CD1-CG1 3.85Å; F12-F20 CarbonylContact C-O 3.54Å; F12-F20 WeakPolarHBondContact CA-O 3.34Å; F12-T21 HydrophobicContact CD1-CG2 3.97Å; F12-T21 WeakPolarHBondContact CD1-OG1 3.32Å; F12-T21 HydrophobicContact CE1-CG2 3.44Å; F12-T21 VanDerWaalsContact CE1-CG2 3.44Å; F12-T21 VanDerWaalsContact CE1-OG1 3.24Å; F12-T21 WeakPolarHBondContact CE1-OG1 3.32Å; F12-T21 HydrophobicContact CE2-CG2 4.49Å; F12-T21 HydrophobicContact CZ-CG2 3.73Å
13	V	45.9	Very low	38.9	Very low	20 Å²	20	83.8 Å²	83.8	12%	0.121	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.8	171.4	-176.1	0	0	0	0	108	M1 F3 L11 T15 F20 F22	M1-V13 HydrophobicContact CG-CG1 4.09Å; M1-V13 HydrophobicContact SD-CG1 4.16Å; F3-V13 HydrophobicContact CD1-CG2 3.96Å; F3-V13 HydrophobicContact CE1-CG1 4.27Å; F3-V13 HydrophobicContact CE1-CG2 3.97Å; L11-V13 HydrophobicContact CD2-CG2 4.12Å; L11-V13 HydrophobicContact CG-CG2 4.47Å; V13-T15 HydrophobicContact CG1-CG2 4.3Å; V13-F20 HydrophobicContact CB-CB 4.46Å; V13-F20 PolarHBondContact N-O 3.42Å; V13-F20 PolarHBondContact O-N 2.79Å; V13-F22 HydrophobicContact CB-CE2 4.3Å; V13-F22 HydrophobicContact CG2-CD2 4.11Å; V13-F22 HydrophobicContact CG2-CE2 3.86Å
14	V	37.6	Very low	38.8	Very low	46 Å²	46	83.6 Å²	83.6	28%	0.279	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.3	178.1	-174.1	0	0	0	0	108.6	M1 A2 L4 V19	M1-V14 CarbonylContact C-O 3.56Å; M1-V14 VanDerWaalsContact CA-O 3.29Å; M1-V14 WeakPolarHBondContact CA-O 3.39Å; A2-V14 HydrophobicContact CB-CB 4.28Å; A2-V14 PolarHBondContact N-O 3.14Å; A2-V14 PolarHBondContact O-N 3.04Å; L4-V14 HydrophobicContact CD1-CG2 4.41Å; V14-V19 HydrophobicContact CG1-CG2 4.2Å; V14-V19 HydrophobicContact CG2-CG1 4.26Å; V14-V19 HydrophobicContact CG2-CG2 4.16Å
15	T	47.2	Very low	38.3	Very low	39 Å²	39	88.3 Å²	88.3	24%	0.239	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	167.5	171.7	73.5	0	0	0	0	109.8	M1 V13 K17 G18 F20	M1-T15 HydrophobicContact CG-CG2 4.13Å; V13-T15 HydrophobicContact CG1-CG2 4.3Å; T15-K17 PolarHBondContact O-N 3.22Å; T15-K17 PolarHBondContact OG1-N 3.36Å; T15-G18 PolarHBondContact N-O 2.88Å; T15-G18 PolarHBondContact O-N 3.11Å; T15-G18 PolarHBondContact OG1-N 3Å; T15-G18 PolarHBondContact OG1-O 3.29Å; T15-G18 VanDerWaalsContact OG1-O 3.08Å; T15-F20 HydrophobicContact CG2-CD2 4.32Å; T15-F20 HydrophobicContact CG2-CE2 4.16Å
16	S	36.4	Very low	37.7	Very low	127 Å²	127	86.3 Å²	86.3	89%	0.888	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-2.6	173	52.5	0	0	0	0	114
17	K	31.4	Very low	37.2	Very low	99 Å²	99	86.9 Å²	86.9	43%	0.43	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	7.5	-177.2	-62.9	-167.4	175.2	176	0	114.3	T15 N79	T15-K17 PolarHBondContact O-N 3.22Å; T15-K17 PolarHBondContact OG1-N 3.36Å; K17-N79 PolarHBondContact NZ-O 3.45Å; K17-N79 PolarHBondContact NZ-OD1 3.3Å
18	G	33.9	Very low	36.7	Very low	33 Å²	33	84.7 Å²	84.7	34%	0.34	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.1	165.2	178.3	0	0	0	0	0	114	T15	T15-G18 PolarHBondContact N-O 2.88Å; T15-G18 PolarHBondContact O-N 3.11Å; T15-G18 PolarHBondContact OG1-N 3Å; T15-G18 PolarHBondContact OG1-O 3.29Å; T15-G18 VanDerWaalsContact OG1-O 3.08Å
19	V	34.5	Very low	35.7	Very low	89 Å²	89	85.5 Å²	85.5	54%	0.539	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.9	176.3	-178	0	0	0	0	108.7	F12 V14	F12-V19 HydrophobicContact CB-CG1 4.42Å; F12-V19 HydrophobicContact CD1-CG1 3.85Å; V14-V19 HydrophobicContact CG1-CG2 4.2Å; V14-V19 HydrophobicContact CG2-CG1 4.26Å; V14-V19 HydrophobicContact CG2-CG2 4.16Å
20	F	37.6	Very low	35.1	Very low	82 Å²	82	83.2 Å²	83.2	36%	0.36	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134	174	-60.1	-87.4	0	0	0	109.2	F12 V13 T15 F22	F12-F20 CarbonylContact C-O 3.54Å; F12-F20 WeakPolarHBondContact CA-O 3.34Å; V13-F20 HydrophobicContact CB-CB 4.46Å; V13-F20 PolarHBondContact N-O 3.42Å; V13-F20 PolarHBondContact O-N 2.79Å; T15-F20 HydrophobicContact CG2-CD2 4.32Å; T15-F20 HydrophobicContact CG2-CE2 4.16Å; F20-F22 HydrophobicContact CB-CE2 3.75Å; F20-F22 HydrophobicContact CB-CZ 4.25Å
21	T	33.5	Very low	34.4	Very low	82 Å²	82	87 Å²	87	50%	0.503	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.3	-176.7	-50.1	0	0	0	0	109.6	T10 F12	T10-T21 HydrophobicContact CG2-CG2 3.57Å; F12-T21 HydrophobicContact CD1-CG2 3.97Å; F12-T21 WeakPolarHBondContact CD1-OG1 3.32Å; F12-T21 HydrophobicContact CE1-CG2 3.44Å; F12-T21 VanDerWaalsContact CE1-CG2 3.44Å; F12-T21 VanDerWaalsContact CE1-OG1 3.24Å; F12-T21 WeakPolarHBondContact CE1-OG1 3.32Å; F12-T21 HydrophobicContact CE2-CG2 4.49Å; F12-T21 HydrophobicContact CZ-CG2 3.73Å
22	F	41	Very low	33.4	Very low	82 Å²	82	89.7 Å²	89.7	36%	0.36	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.3	177.9	-62.3	-87.6	0	0	0	110	T10 L11 V13 F20 L85	T10-F22 CarbonylContact C-O 3.55Å; T10-F22 VanDerWaalsContact CA-O 3.28Å; T10-F22 WeakPolarHBondContact CA-O 3.07Å; T10-F22 WeakPolarHBondContact CG2-O 3.4Å; L11-F22 HydrophobicContact CB-CB 4.39Å; L11-F22 PolarHBondContact N-O 2.85Å; L11-F22 PolarHBondContact O-N 3.13Å; V13-F22 HydrophobicContact CB-CE2 4.3Å; V13-F22 HydrophobicContact CG2-CD2 4.11Å; V13-F22 HydrophobicContact CG2-CE2 3.86Å; F20-F22 HydrophobicContact CB-CE2 3.75Å; F20-F22 HydrophobicContact CB-CZ 4.25Å; F22-L85 HydrophobicContact CE1-CD1 4.44Å; F22-L85 HydrophobicContact CZ-CD1 4.23Å
23	C	32.2	Very low	32.6	Very low	92 Å²	92	94.2 Å²	94.2	62%	0.622	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.1	174	-77.6	0	0	0	0	110.5	F25	C23-F25 PolarHBondContact O-N 3.43Å
24	R	38	Very low	31.4	Very low	110 Å²	110	100.2 Å²	100.2	42%	0.415	57%	0.572	S	S	.	*			trans	-72.7	111.6	176.9	-166.6	-179.8	-175.1	166.7	5	109.5	E8 K9 V27	E8-R24 VanDerWaalsContact O-CD 3.24Å; E8-R24 WeakPolarHBondContact O-CD 3.24Å; E8-R24 PolarHBondContact O-NH1 3.33Å; K9-R24 WeakPolarHBondContact O-CB 3.33Å; K9-R24 PolarHBondContact O-N 2.84Å; R24-V27 PolarHBondContact NE-O 2.95Å; R24-V27 VanDerWaalsContact NE-O 3.16Å; R24-V27 PolarHBondContact NH2-O 3.33Å
25	F	28	Very low	30.8	Very low	193 Å²	193	105.7 Å²	105.7	85%	0.846	59%	0.592	S	S	*	*			trans	-88.1	100.8	162.1	-84.3	-88	0	0	0	108.9	C23 V27	C23-F25 PolarHBondContact O-N 3.43Å; F25-V27 PolarHBondContact O-N 3.27Å
26	G	28.7	Very low	29.7	Very low	74 Å²	74	111.1 Å²	111.1	76%	0.763	61%	0.613	S	S	*	*	S	Bend	trans	75.8	16.9	140.6	0	0	0	0	0	122.2
27	V	25.5	Very low	29	Very low	99 Å²	99	111.1 Å²	111.1	60%	0.6	60%	0.603	S	S	*	*			trans	-125.8	119.8	173	-163.7	0	0	0	0	113.2	R24 F25	R24-V27 PolarHBondContact NE-O 2.95Å; R24-V27 VanDerWaalsContact NE-O 3.16Å; R24-V27 PolarHBondContact NH2-O 3.33Å; F25-V27 PolarHBondContact O-N 3.27Å
28	P	27	Very low	28.7	Very low	89 Å²	89	114.5 Å²	114.5	58%	0.578	62%	0.618	S	S	*	*			trans	-76.8	142.1	170.7	32.5	-30	0	0	0	109.4
29	H	26.9	Very low	28.2	Very low	165 Å²	165	119 Å²	119	76%	0.764	64%	0.641	S	S	*	*			trans	84.6	72.8	174.3	-39.6	-61.1	0	0	0	117.4
30	V	28.3	Very low	27.6	Very low	100 Å²	100	121.2 Å²	121.2	61%	0.606	66%	0.659	S	S	*	*			trans	-113.2	98.9	146.2	-179.9	0	0	0	0	106.8
31	S	23	Very low	27	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	68%	0.675	S	S	*	*			trans	-108.5	58.9	-178	48.6	0	0	0	0	110.7
32	S	23.2	Very low	26.6	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	69%	0.688	S	S	*	*			trans	-179.6	118.8	158.5	24.6	0	0	0	0	110.8
33	F	23.9	Very low	25.8	Very low	146 Å²	146	124.1 Å²	124.1	64%	0.64	71%	0.711	S	S	*	*			trans	-103.3	118	166.7	-76.9	-82	0	0	0	109.1	K35	F33-K35 PolarHBondContact O-N 3.08Å
34	L	22.5	Very low	25.5	Very low	146 Å²	146	124.9 Å²	124.9	76%	0.764	72%	0.724	S	S	*	*			trans	-76.2	112.7	171.6	-94	151.2	0	0	0	109.2	F36	L34-F36 HydrophobicContact CB-CE2 4.09Å; L34-F36 PolarHBondContact O-N 3.19Å
35	K	23.6	Very low	24.8	Very low	161 Å²	161	124.7 Å²	124.7	70%	0.7	74%	0.74	S	S	*	*			trans	-75.8	113.5	171.5	-171.2	-174.5	178.7	-161.2	0	108.9	F33 D37	F33-K35 PolarHBondContact O-N 3.08Å; K35-D37 WeakPolarHBondContact CE-OD1 3.37Å; K35-D37 IonicContact NZ-OD1 3.03Å; K35-D37 IonicContact NZ-OD2 3.46Å
36	F	24.5	Very low	24.6	Very low	153 Å²	153	121.5 Å²	121.5	67%	0.671	74%	0.736	S	S	*	*			trans	-94.1	111	170	-77.3	-85.3	0	0	0	109.9	L34 F38	L34-F36 HydrophobicContact CB-CE2 4.09Å; L34-F36 PolarHBondContact O-N 3.19Å; F36-F38 HydrophobicContact CB-CE2 4.33Å
37	D	22.2	Very low	24.4	Very low	128 Å²	128	123.8 Å²	123.8	68%	0.684	74%	0.74	S	S	*	*			trans	-87.4	110.8	168.9	-75.4	-33	0	0	0	108.7	K35	K35-D37 WeakPolarHBondContact CE-OD1 3.37Å; K35-D37 IonicContact NZ-OD1 3.03Å; K35-D37 IonicContact NZ-OD2 3.46Å
38	F	24	Very low	24.3	Very low	169 Å²	169	122.7 Å²	122.7	74%	0.741	75%	0.749	S	S	*	*			trans	-89.4	133.6	166.9	-76.8	-84.3	0	0	0	109.5	F36 C40	F36-F38 HydrophobicContact CB-CE2 4.33Å; F38-C40 PolarHBondContact O-N 3.18Å
39	P	23.9	Very low	24.1	Very low	127 Å²	127	123.8 Å²	123.8	83%	0.825	76%	0.759	S	S	*	*			trans	-74	111.1	174.1	28.5	-29.5	0	0	0	109.7	G41	P39-G41 PolarHBondContact O-N 2.71Å
40	C	22.7	Very low	23.9	Very low	136 Å²	136	123 Å²	123	92%	0.919	77%	0.765	S	S	*	*			trans	-72.1	103.3	163.7	-74	0	0	0	0	109	F38	F38-C40 PolarHBondContact O-N 3.18Å
41	G	24.4	Very low	23.6	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	77%	0.769	S	S	*	*			trans	-109.2	136.1	163.9	0	0	0	0	0	110.6	P39	P39-G41 PolarHBondContact O-N 2.71Å
42	P	25.9	Very low	23.7	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	77%	0.767	S	S	*	*			trans	-85.9	151.2	175.1	34.1	-30.1	0	0	0	111.6
43	S	24.5	Very low	23.7	Very low	121 Å²	121	124 Å²	124	85%	0.846	77%	0.768	S	S	*	*			trans	65.7	110.1	160	63	0	0	0	0	119.7
44	A	24.5	Very low	23.7	Very low	109 Å²	109	122.6 Å²	122.6	90%	0.901	78%	0.776	S	S	*	*			trans	-156.6	127.1	132	0	0	0	0	0	110.2
45	S	24	Very low	23.8	Very low	106 Å²	106	124.6 Å²	124.6	74%	0.741	78%	0.778	S	S	*	*			trans	-80.5	141.4	-177.3	48.1	0	0	0	0	113.2
46	T	23.5	Very low	23.9	Very low	125 Å²	125	125 Å²	125	77%	0.767	78%	0.783	S	S	*	*			trans	40.2	110.4	141.7	57.9	0	0	0	0	119.5
47	S	24.3	Very low	24	Very low	122 Å²	122	123.1 Å²	123.1	85%	0.853	78%	0.784	S	S	*	*				156.9	131.9	98.1	63.6	0	0	0	0	111.8
48	G	22.7	Very low	24.2	Very low	77 Å²	77	122.4 Å²	122.4	79%	0.794	78%	0.779	S	S	*	*			trans	83.2	86.4	145.8	0	0	0	0	0	119
49	S	23.4	Very low	24.3	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	77%	0.773	S	S	*	*				174.2	127.8	126.3	58.5	0	0	0	0	109.9
50	V	22.9	Very low	24.2	Very low	149 Å²	149	116.9 Å²	116.9	90%	0.903	77%	0.769	S	S	*	*			trans	-70.3	124.4	-175.6	177.9	0	0	0	0	110.4
51	L	21.8	Very low	24.3	Very low	131 Å²	131	114 Å²	114	69%	0.686	75%	0.75	S	S	*	*			trans	-136.1	141	167.8	-87.7	162.9	0	0	0	109.8	K76	L51-K76 PolarHBondContact O-NZ 2.81Å
52	P	24.7	Very low	24.4	Very low	111 Å²	111	117.3 Å²	117.3	72%	0.721	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-73	165.7	-166.8	-10.9	27.9	0	0	0	113.3
53	A	24.2	Very low	24.4	Very low	89 Å²	89	116.7 Å²	116.7	74%	0.736	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.8	-176.2	0	0	0	0	0	113.3
54	C	23.2	Very low	24.4	Very low	117 Å²	117	114 Å²	114	79%	0.791	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-101.9	123.3	170.3	-67.9	0	0	0	0	109.4
55	F	24.9	Very low	24.4	Very low	188 Å²	188	118 Å²	118	83%	0.825	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-68	121.9	151.5	-79.3	-95.4	0	0	0	107.2
56	Q	25.3	Very low	24.5	Very low	171 Å²	171	117.7 Å²	117.7	80%	0.799	72%	0.716	S	S	*	*			trans	-108.4	102.4	171.5	-133.4	176.3	4	0	0	107.6	L58	Q56-L58 PolarHBondContact O-N 3.19Å; Q56-L58 VanDerWaalsContact O-N 3.08Å
57	V	27.1	Very low	24.7	Very low	113 Å²	113	114.4 Å²	114.4	69%	0.685	70%	0.701	S	S	*	*			trans	-64.4	106.3	169.4	175.1	0	0	0	0	107	A59	V57-A59 PolarHBondContact O-N 3.08Å; V57-A59 VanDerWaalsContact O-N 3.17Å
58	L	26.1	Very low	24.9	Very low	113 Å²	113	114 Å²	114	59%	0.592	69%	0.689	S	S	*	*			trans	-80.7	94.1	171.8	-81.2	159.3	0	0	0	107.8	Q56	Q56-L58 PolarHBondContact O-N 3.19Å; Q56-L58 VanDerWaalsContact O-N 3.08Å
59	A	26.2	Very low	25.3	Very low	74 Å²	74	115.1 Å²	115.1	61%	0.612	68%	0.677	S	S	*	*			trans	83.7	112.8	172.1	0	0	0	0	0	117.5	V57	V57-A59 PolarHBondContact O-N 3.08Å; V57-A59 VanDerWaalsContact O-N 3.17Å
60	S	22.6	Very low	25.7	Very low	105 Å²	105	112.2 Å²	112.2	73%	0.734	66%	0.659	S	S	*	*			trans	-104.9	83.3	153.4	58.3	0	0	0	0	108.3
61	S	23.8	Very low	26	Very low	75 Å²	75	108.3 Å²	108.3	52%	0.524	64%	0.635	S	S	.	*			trans	-178	80.6	162.1	166.1	0	0	0	0	109.4
62	L	27.1	Very low	26.5	Very low	139 Å²	139	104.4 Å²	104.4	73%	0.728	62%	0.622	S	S	*	*			trans	-123.1	104.4	154.5	-76.9	168	0	0	0	106.3
63	Q	26	Very low	26.7	Very low	105 Å²	105	104.4 Å²	104.4	49%	0.491	62%	0.62	S	S	.	*			trans	-81.2	124.2	166.7	-73.3	-174.3	-36.8	0	0	107.4	F637 R644	Q63-F637 HydrophobicContact CG-CZ 4.29Å; Q63-R644 VanDerWaalsContact NE2-CZ 3.26Å
64	G	24.5	Very low	27	Very low	64 Å²	64	104 Å²	104	66%	0.66	61%	0.612	S	S	*	*	S	Bend	trans	111.6	133.9	-172.4	0	0	0	0	0	109.5	E66	G64-E66 PolarHBondContact O-N 2.67Å
65	E	23.9	Very low	27.3	Very low	192 Å²	192	105.8 Å²	105.8	90%	0.897	61%	0.614	S	S	*	*	S	Bend	trans	-34.2	125.6	-177.3	-66.4	167.3	161.7	0	0	114.1
66	E	26.7	Very low	27.6	Very low	101 Å²	101	103.7 Å²	103.7	47%	0.472	60%	0.604	S	S	.	*			trans	62.2	100.3	152.5	-53.4	-166.8	145.6	0	0	119.9	G64 N90 G91	G64-E66 PolarHBondContact O-N 2.67Å; E66-N90 VanDerWaalsContact CD-CA 3.44Å; E66-N90 VanDerWaalsContact CD-N 3.28Å; E66-N90 WeakPolarHBondContact OE1-CA 3.23Å; E66-N90 PolarHBondContact OE1-N 3.18Å; E66-N90 WeakPolarHBondContact OE2-CA 3.34Å; E66-N90 PolarHBondContact OE2-N 2.8Å; E66-N90 PolarHBondContact OE2-OD1 2.82Å; E66-G91 PolarHBondContact OE1-N 2.9Å; E66-G91 VanDerWaalsContact OE1-N 3.16Å
67	A	27.1	Very low	27.7	Very low	55 Å²	55	104.7 Å²	104.7	46%	0.455	61%	0.606	S	S	.	*				174.9	116.7	120.2	0	0	0	0	0	109.1
68	L	29.1	Very low	27.9	Very low	113 Å²	113	106 Å²	106	59%	0.592	61%	0.614	S	S	*	*			trans	-93.6	121.2	169	-151.2	94.1	0	0	0	108.3
69	L	30.9	Very low	28	Very low	102 Å²	102	106.3 Å²	106.3	53%	0.534	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	111.4	176.5	-167	82.5	0	0	0	109	L85 F87	L69-L85 HydrophobicContact CD1-CD2 3.88Å; L69-L85 HydrophobicContact CG-CD2 4.48Å; L69-F87 HydrophobicContact CD1-CB 4.48Å
70	A	31.7	Very low	28.3	Very low	49 Å²	49	112.4 Å²	112.4	41%	0.405	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	126.9	172.3	0	0	0	0	0	110.2	V86	A70-V86 PolarHBondContact N-O 3.37Å; A70-V86 PolarHBondContact O-N 3.25Å
71	V	30.4	Very low	28.7	Very low	67 Å²	67	111.5 Å²	111.5	41%	0.406	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	113	176.3	-179	0	0	0	0	108.4	T73 P82	V71-T73 HydrophobicContact CG1-CG2 4.19Å; V71-P82 HydrophobicContact CG1-CB 3.93Å
72	A	31.7	Very low	29.3	Very low	49 Å²	49	110.6 Å²	110.6	41%	0.405	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	125.8	171.2	0	0	0	0	0	109.7
73	T	29	Very low	29.6	Very low	111 Å²	111	106.7 Å²	106.7	68%	0.681	59%	0.587	S	S	*	*			trans	-116.9	129	171	68	0	0	0	0	109.2	V71	V71-T73 HydrophobicContact CG1-CG2 4.19Å
74	S	29.1	Very low	30.1	Very low	82 Å²	82	102.9 Å²	102.9	57%	0.573	57%	0.574	S	S	*	*			trans	-88.2	113.1	175	65.5	0	0	0	0	110.1
75	D	31.3	Very low	30.8	Very low	154 Å²	154	101.7 Å²	101.7	82%	0.824	55%	0.552	S	S	*	*			trans	60	144.9	155.4	-142.9	-3.7	0	0	0	120.8	K77	D75-K77 PolarHBondContact O-N 2.8Å
76	K	31.2	Very low	31.6	Very low	144 Å²	144	94.4 Å²	94.4	63%	0.626	52%	0.521	S	S	*	.	S	Bend	trans	-76.9	49.2	-159.2	-71.4	-175.5	175.7	179.4	0	116.4	L51	L51-K76 PolarHBondContact O-NZ 2.81Å
77	K	27.3	Very low	32.4	Very low	191 Å²	191	92.1 Å²	92.1	83%	0.83	51%	0.509	S	S	*	.			trans	-110.2	120.3	162.1	-77.3	-172.9	-179.3	176.6	0	111.2	D75 N79	D75-K77 PolarHBondContact O-N 2.8Å; K77-N79 PolarHBondContact O-N 2.81Å
78	V	30.5	Very low	33	Very low	142 Å²	142	91.1 Å²	91.1	86%	0.861	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	72.3	177.2	-176.3	0	0	0	0	110.6
79	N	29.2	Very low	33.5	Very low	118 Å²	118	89.3 Å²	89.3	63%	0.631	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.7	19.3	155.2	-102.6	-39.4	0	0	0	119.9	K17 K77	K17-N79 PolarHBondContact NZ-O 3.45Å; K17-N79 PolarHBondContact NZ-OD1 3.3Å; K77-N79 PolarHBondContact O-N 2.81Å
80	K	31.1	Very low	33.8	Very low	203 Å²	203	90 Å²	90	88%	0.883	50%	0.496	S	S	*	.			trans	-132.2	151.5	-179.6	-76.1	-173.4	169	177.4	0	117.5
81	Q	31.6	Very low	33.9	Very low	86 Å²	86	90 Å²	90	40%	0.402	50%	0.501	S	S	.	.			trans	-69.5	153.8	-160.5	-70.2	173.7	-25.1	0	0	114.7	R98	Q81-R98 PolarHBondContact O-NH2 2.84Å
82	P	35.4	Very low	34.2	Very low	56 Å²	56	87.7 Å²	87.7	36%	0.364	49%	0.486	S	S	.	.			trans	-51.8	139.9	168	23.2	-32.8	0	0	0	111.1	V71 R98	V71-P82 HydrophobicContact CG1-CB 3.93Å; P82-R98 PolarHBondContact O-NE 3.11Å
83	T	35.1	Very low	34.7	Very low	56 Å²	56	87.3 Å²	87.3	34%	0.344	48%	0.477	S	S	.	.			trans	-96.1	-28.8	-176	32.1	0	0	0	0	113.3	R98	T83-R98 VanDerWaalsContact CG2-NH2 3.32Å
84	A	36.3	Very low	35.4	Very low	25 Å²	25	83.1 Å²	83.1	21%	0.207	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	150.6	172.8	0	0	0	0	0	110.4	V95 A96	A84-V95 HydrophobicContact CB-CG1 3.91Å; A84-A96 CarbonylContact C-O 3.57Å; A84-A96 VanDerWaalsContact CA-O 3.25Å; A84-A96 WeakPolarHBondContact CA-O 3.44Å
85	L	38.4	Very low	36.2	Very low	39 Å²	39	80.9 Å²	80.9	20%	0.204	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.4	173.7	-104.4	148.8	0	0	0	108.5	F22 L69 F87 V95 A96	F22-L85 HydrophobicContact CE1-CD1 4.44Å; F22-L85 HydrophobicContact CZ-CD1 4.23Å; L69-L85 HydrophobicContact CD1-CD2 3.88Å; L69-L85 HydrophobicContact CG-CD2 4.48Å; L85-F87 HydrophobicContact CB-CD1 4.2Å; L85-F87 HydrophobicContact CB-CE1 3.99Å; L85-V95 WeakPolarHBondContact O-CA 3.09Å; L85-A96 HydrophobicContact CB-CB 4.29Å; L85-A96 PolarHBondContact N-O 3.2Å; L85-A96 PolarHBondContact O-N 3.17Å
86	V	40.5	Very low	36.8	Very low	39 Å²	39	74.3 Å²	74.3	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	177.6	-172.3	0	0	0	0	108.7	A70 L93 L94 V95	A70-V86 PolarHBondContact N-O 3.37Å; A70-V86 PolarHBondContact O-N 3.25Å; V86-L93 HydrophobicContact CG1-CD2 3.47Å; V86-L93 VanDerWaalsContact CG1-CD2 3.47Å; V86-L93 HydrophobicContact CG1-CG 3.92Å; V86-L94 WeakPolarHBondContact CA-O 3.04Å; V86-V95 HydrophobicContact CG1-CG2 4.46Å; V86-V95 HydrophobicContact CG2-CG2 4.22Å
87	F	43.8	Very low	37.4	Very low	54 Å²	54	70.2 Å²	70.2	24%	0.237	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.8	178.3	38.8	-84.6	0	0	0	111.1	L69 L85 L94 A96	L69-F87 HydrophobicContact CD1-CB 4.48Å; L85-F87 HydrophobicContact CB-CD1 4.2Å; L85-F87 HydrophobicContact CB-CE1 3.99Å; F87-L94 HydrophobicContact CD2-CB 3.64Å; F87-L94 HydrophobicContact CD2-CD1 3.88Å; F87-L94 HydrophobicContact CD2-CG 4.39Å; F87-L94 HydrophobicContact CE2-CB 3.47Å; F87-L94 VanDerWaalsContact CE2-CB 3.47Å; F87-L94 HydrophobicContact CE2-CD1 3.73Å; F87-L94 HydrophobicContact CE2-CG 4.24Å; F87-L94 HydrophobicContact CG-CB 4.43Å; F87-L94 HydrophobicContact CZ-CB 4.13Å; F87-L94 PolarHBondContact N-O 3.41Å; F87-L94 PolarHBondContact O-N 3.45Å; F87-A96 HydrophobicContact CE1-CB 3.8Å; F87-A96 HydrophobicContact CZ-CB 3.94Å
88	A	39	Very low	37.8	Very low	34 Å²	34	68.2 Å²	68.2	28%	0.281	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.8	177.4	0	0	0	0	0	110.5	N92	A88-N92 WeakPolarHBondContact CA-O 3.2Å
89	D	40.7	Very low	38.4	Very low	75 Å²	75	67.6 Å²	67.6	40%	0.401	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	121.7	177.9	173.8	31.3	0	0	0	110.2	G91 N92 L94	D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact O-N 2.94Å; D89-N92 PolarHBondContact N-O 2.84Å; D89-N92 WeakPolarHBondContact O-CB 3.48Å; D89-N92 PolarHBondContact O-N 3.19Å; D89-N92 PolarHBondContact O-ND2 2.9Å; D89-L94 HydrophobicContact CB-CD1 3.78Å
90	N	37.6	Very low	38.6	Very low	116 Å²	116	64.6 Å²	64.6	62%	0.62	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	49	179.8	-75.6	-76.8	0	0	0	113.1	E66 N92	E66-N90 VanDerWaalsContact CD-CA 3.44Å; E66-N90 VanDerWaalsContact CD-N 3.28Å; E66-N90 WeakPolarHBondContact OE1-CA 3.23Å; E66-N90 PolarHBondContact OE1-N 3.18Å; E66-N90 WeakPolarHBondContact OE2-CA 3.34Å; E66-N90 PolarHBondContact OE2-N 2.8Å; E66-N90 PolarHBondContact OE2-OD1 2.82Å; N90-N92 PolarHBondContact O-N 3.34Å; N90-N92 PolarHBondContact O-ND2 2.98Å
91	G	32	Very low	39	Very low	49 Å²	49	61.6 Å²	61.6	51%	0.505	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	4.3	-176.3	0	0	0	0	0	116.3	E66 D89 P107	E66-G91 PolarHBondContact OE1-N 2.9Å; E66-G91 VanDerWaalsContact OE1-N 3.16Å; D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact O-N 2.94Å; G91-P107 WeakPolarHBondContact O-CA 3.02Å
92	N	38	Very low	39.4	Very low	18 Å²	18	61.3 Å²	61.3	10%	0.096	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.5	176.9	-54.7	-81.3	0	0	0	110.7	A88 D89 N90 R104	A88-N92 WeakPolarHBondContact CA-O 3.2Å; D89-N92 PolarHBondContact N-O 2.84Å; D89-N92 WeakPolarHBondContact O-CB 3.48Å; D89-N92 PolarHBondContact O-N 3.19Å; D89-N92 PolarHBondContact O-ND2 2.9Å; N90-N92 PolarHBondContact O-N 3.34Å; N90-N92 PolarHBondContact O-ND2 2.98Å; N92-R104 HydrophobicContact CB-CG 4.36Å; N92-R104 PolarHBondContact ND2-NH2 3.32Å; N92-R104 PolarHBondContact OD1-NE 3.47Å
93	L	42	Very low	39.7	Very low	42 Å²	42	62.2 Å²	62.2	22%	0.22	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.4	169	-130.6	97.2	0	0	0	108.1	V86 L105	V86-L93 HydrophobicContact CG1-CD2 3.47Å; V86-L93 VanDerWaalsContact CG1-CD2 3.47Å; V86-L93 HydrophobicContact CG1-CG 3.92Å; L93-L105 HydrophobicContact CB-CB 4.01Å; L93-L105 HydrophobicContact CB-CD1 4.4Å; L93-L105 HydrophobicContact CD2-CD1 4.22Å; L93-L105 PolarHBondContact N-O 2.05Å; L93-L105 VanDerWaalsContact N-O 3.14Å; L93-L105 WeakPolarHBondContact O-CA 3.07Å; L93-L105 VanDerWaalsContact O-CB 3.3Å; L93-L105 WeakPolarHBondContact O-CB 3.39Å; L93-L105 PolarHBondContact O-N 2.81Å; L93-L105 VanDerWaalsContact O-O 3.11Å
94	L	44.1	Very low	39.9	Very low	23 Å²	23	67.8 Å²	67.8	12%	0.12	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.7	177.3	-64.7	165.7	0	0	0	108.1	V86 F87 D89 V102 R104	V86-L94 WeakPolarHBondContact CA-O 3.04Å; F87-L94 HydrophobicContact CD2-CB 3.64Å; F87-L94 HydrophobicContact CD2-CD1 3.88Å; F87-L94 HydrophobicContact CD2-CG 4.39Å; F87-L94 HydrophobicContact CE2-CB 3.47Å; F87-L94 VanDerWaalsContact CE2-CB 3.47Å; F87-L94 HydrophobicContact CE2-CD1 3.73Å; F87-L94 HydrophobicContact CE2-CG 4.24Å; F87-L94 HydrophobicContact CG-CB 4.43Å; F87-L94 HydrophobicContact CZ-CB 4.13Å; F87-L94 PolarHBondContact N-O 3.41Å; F87-L94 PolarHBondContact O-N 3.45Å; D89-L94 HydrophobicContact CB-CD1 3.78Å; L94-V102 HydrophobicContact CB-CG1 4.09Å; L94-V102 HydrophobicContact CD2-CG1 3.75Å; L94-V102 HydrophobicContact CG-CG1 4.41Å; L94-R104 HydrophobicContact CD2-CB 4Å; L94-R104 HydrophobicContact CD2-CG 3.99Å
95	V	44.4	Very low	40.1	Very low	35 Å²	35	68.8 Å²	68.8	21%	0.212	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115	173.7	-176.4	0	0	0	0	107.7	A84 L85 V86 V102 T103 L105	A84-V95 HydrophobicContact CB-CG1 3.91Å; L85-V95 WeakPolarHBondContact O-CA 3.09Å; V86-V95 HydrophobicContact CG1-CG2 4.46Å; V86-V95 HydrophobicContact CG2-CG2 4.22Å; V95-V102 WeakPolarHBondContact O-CA 3.38Å; V95-T103 PolarHBondContact N-O 3.26Å; V95-T103 PolarHBondContact O-N 3.42Å; V95-L105 HydrophobicContact CG2-CD1 3.51Å; V95-L105 HydrophobicContact CG2-CG 4.3Å
96	A	44.5	Very low	39.9	Very low	16 Å²	16	68.6 Å²	68.6	13%	0.132	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.8	172.4	0	0	0	0	0	109.4	A84 L85 F87 E101 V102	A84-A96 CarbonylContact C-O 3.57Å; A84-A96 VanDerWaalsContact CA-O 3.25Å; A84-A96 WeakPolarHBondContact CA-O 3.44Å; L85-A96 HydrophobicContact CB-CB 4.29Å; L85-A96 PolarHBondContact N-O 3.2Å; L85-A96 PolarHBondContact O-N 3.17Å; F87-A96 HydrophobicContact CE1-CB 3.8Å; F87-A96 HydrophobicContact CZ-CB 3.94Å; A96-E101 WeakPolarHBondContact CA-O 3.25Å; A96-V102 HydrophobicContact CB-CG2 4.24Å
97	D	44	Very low	39.5	Very low	58 Å²	58	70.8 Å²	70.8	31%	0.31	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-177.4	178	76.4	6	0	0	0	112.8	V99 G100 E101	D97-V99 PolarHBondContact O-N 3.21Å; D97-V99 WeakPolarHBondContact OD1-CA 3.07Å; D97-V99 PolarHBondContact OD1-N 3.34Å; D97-G100 PolarHBondContact O-N 2.87Å; D97-G100 PolarHBondContact OD1-N 3.25Å; D97-E101 PolarHBondContact N-O 3.24Å; D97-E101 VanDerWaalsContact N-O 3.08Å; D97-E101 PolarHBondContact OD1-N 3.31Å
98	R	36.2	Very low	39.1	Very low	148 Å²	148	69.3 Å²	69.3	56%	0.558	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.5	179.3	-80.4	-171.7	176.9	163	4.1	114.6	Q81 P82 T83	Q81-R98 PolarHBondContact O-NH2 2.84Å; P82-R98 PolarHBondContact O-NE 3.11Å; T83-R98 VanDerWaalsContact CG2-NH2 3.32Å
99	V	41.8	Very low	39.1	Very low	130 Å²	130	72.1 Å²	72.1	79%	0.788	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-3.9	-179.5	-128.4	0	0	0	0	111.7	D97 E101	D97-V99 PolarHBondContact O-N 3.21Å; D97-V99 WeakPolarHBondContact OD1-CA 3.07Å; D97-V99 PolarHBondContact OD1-N 3.34Å; V99-E101 VanDerWaalsContact C-N 3.34Å
100	G	34.4	Very low	38.9	Very low	54 Å²	54	71 Å²	71	56%	0.557	40%	0.404	S	S	*	.			trans	83.8	11.1	-177.4	0	0	0	0	0	113	D97 V102	D97-G100 PolarHBondContact O-N 2.87Å; D97-G100 PolarHBondContact OD1-N 3.25Å; G100-V102 PolarHBondContact O-N 3.36Å
101	E	38.6	Very low	39	Very low	140 Å²	140	68.8 Å²	68.8	65%	0.654	39%	0.389	S	S	*	.			trans	-73.6	122.8	172.1	-127.1	-166.7	179.8	0	0	108.8	A96 D97 V99	A96-E101 WeakPolarHBondContact CA-O 3.25Å; D97-E101 PolarHBondContact N-O 3.24Å; D97-E101 VanDerWaalsContact N-O 3.08Å; D97-E101 PolarHBondContact OD1-N 3.31Å; V99-E101 VanDerWaalsContact C-N 3.34Å
102	V	40.2	Very low	39.2	Very low	81 Å²	81	70.6 Å²	70.6	49%	0.491	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.2	-178.9	-178.6	0	0	0	0	108	L94 V95 A96 G100	L94-V102 HydrophobicContact CB-CG1 4.09Å; L94-V102 HydrophobicContact CD2-CG1 3.75Å; L94-V102 HydrophobicContact CG-CG1 4.41Å; V95-V102 WeakPolarHBondContact O-CA 3.38Å; A96-V102 HydrophobicContact CB-CG2 4.24Å; G100-V102 PolarHBondContact O-N 3.36Å
103	T	42.1	Very low	39.1	Very low	75 Å²	75	70.5 Å²	70.5	46%	0.46	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.6	172.8	-37.3	0	0	0	0	109	V95 L105	V95-T103 PolarHBondContact N-O 3.26Å; V95-T103 PolarHBondContact O-N 3.42Å; T103-L105 PolarHBondContact O-N 3.33Å
104	R	39.6	Very low	38.8	Very low	173 Å²	173	74.8 Å²	74.8	65%	0.653	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.4	173.1	-169.4	179.9	-168.9	176.9	8.4	109	N92 L94	N92-R104 HydrophobicContact CB-CG 4.36Å; N92-R104 PolarHBondContact ND2-NH2 3.32Å; N92-R104 PolarHBondContact OD1-NE 3.47Å; L94-R104 HydrophobicContact CD2-CB 4Å; L94-R104 HydrophobicContact CD2-CG 3.99Å
105	L	39.8	Very low	38.4	Very low	46 Å²	46	76.9 Å²	76.9	24%	0.241	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.3	166	-55.6	172.9	0	0	0	105.7	L93 V95 T103 L120	L93-L105 HydrophobicContact CB-CB 4.01Å; L93-L105 HydrophobicContact CB-CD1 4.4Å; L93-L105 HydrophobicContact CD2-CD1 4.22Å; L93-L105 PolarHBondContact N-O 2.05Å; L93-L105 VanDerWaalsContact N-O 3.14Å; L93-L105 WeakPolarHBondContact O-CA 3.07Å; L93-L105 VanDerWaalsContact O-CB 3.3Å; L93-L105 WeakPolarHBondContact O-CB 3.39Å; L93-L105 PolarHBondContact O-N 2.81Å; L93-L105 VanDerWaalsContact O-O 3.11Å; V95-L105 HydrophobicContact CG2-CD1 3.51Å; V95-L105 HydrophobicContact CG2-CG 4.3Å; T103-L105 PolarHBondContact O-N 3.33Å; L105-L120 HydrophobicContact CD1-CD1 4.36Å; L105-L120 HydrophobicContact CD2-CD1 4.13Å
106	G	34.6	Very low	38.2	Very low	34 Å²	34	81 Å²	81	35%	0.351	46%	0.457	S	S	.	.			trans	-55	172.4	-179.5	0	0	0	0	0	112.4	S108	G106-S108 PolarHBondContact O-N 2.85Å
107	P	33.3	Very low	37.7	Very low	86 Å²	86	81.6 Å²	81.6	56%	0.558	46%	0.46	S	S	*	.	S	Bend	trans	-62.7	98.1	-175.6	27.1	-33.5	0	0	0	109.8	G91	G91-P107 WeakPolarHBondContact O-CA 3.02Å
108	S	35.6	Very low	37.6	Very low	22 Å²	22	80.4 Å²	80.4	15%	0.154	46%	0.456	C	S	.	.			trans	-151.3	129	177.8	114.7	0	0	0	0	110.1	G106 S110 L121	G106-S108 PolarHBondContact O-N 2.85Å; S108-S110 PolarHBondContact O-N 3.2Å; S108-L121 VanDerWaalsContact CB-O 3.25Å; S108-L121 WeakPolarHBondContact CB-O 3.11Å
109	E	37.1	Very low	38.1	Very low	93 Å²	93	74 Å²	74	44%	0.435	43%	0.433	S	S	.	.			trans	-62.7	93.1	175.6	-65.9	-178.8	162.4	0	0	110.4	K111 R162	E109-K111 PolarHBondContact O-N 3.28Å; E109-R162 IonicContact OE1-CZ 2.77Å; E109-R162 IonicContact OE1-NE 3.43Å; E109-R162 PolarHBondContact OE1-NE 2.9Å
110	S	37.9	Very low	38.2	Very low	53 Å²	53	69.2 Å²	69.2	37%	0.371	40%	0.403	S	S	.	.			trans	-77.5	115	172.6	66.4	0	0	0	0	110.1	S108	S108-S110 PolarHBondContact O-N 3.2Å
111	K	38.6	Very low	38.7	Very low	69 Å²	69	68.1 Å²	68.1	30%	0.3	38%	0.384	S	S	.	.			trans	-111.9	135.5	167.2	-78.2	-177	177.6	177.2	0	110.4	E109 L113	E109-K111 PolarHBondContact O-N 3.28Å; K111-L113 PolarHBondContact O-N 3.09Å
112	P	36.9	Very low	39.1	Very low	87 Å²	87	63.8 Å²	63.8	57%	0.565	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.5	177.5	26.8	-30.6	0	0	0	111
113	L	35.8	Very low	39.2	Very low	15 Å²	15	66.6 Å²	66.6	8%	0.079	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	101	171.6	-113.9	126.6	0	0	0	107.2	K111 C117 M119 L183	K111-L113 PolarHBondContact O-N 3.09Å; L113-C117 CarbonylContact C-O 3.57Å; L113-C117 HydrophobicContact CB-CB 4.24Å; L113-C117 PolarHBondContact N-O 3.07Å; L113-C117 WeakPolarHBondContact O-CA 3.42Å; L113-C117 WeakPolarHBondContact O-CB 3.26Å; L113-C117 PolarHBondContact O-N 3.33Å; L113-M119 HydrophobicContact CD1-CB 4.23Å; L113-M119 HydrophobicContact CD1-CG 4.03Å; L113-M119 HydrophobicContact CD1-SD 3.52Å; L113-M119 VanDerWaalsContact CD1-SD 3.52Å; L113-L183 HydrophobicContact CD2-CD1 4.11Å
114	L	35.6	Very low	39.7	Very low	133 Å²	133	67.6 Å²	67.6	70%	0.696	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	38.5	109.6	165.6	-92.4	154.8	0	0	0	117.6	H116	L114-H116 VanDerWaalsContact C-N 3.26Å; L114-H116 PolarHBondContact O-N 3.31Å
115	G	35	Very low	40.6	Very low	66 Å²	66	60.2 Å²	60.2	68%	0.68	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	79.8	-58.3	160.2	0	0	0	0	0	114.3
116	H	40.3	Very low	41.2	Very low	121 Å²	121	58.2 Å²	58.2	56%	0.56	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-154.5	11	-175.9	-58.8	-69.3	0	0	0	114.1	L114 D131 T132 A133	L114-H116 VanDerWaalsContact C-N 3.26Å; L114-H116 PolarHBondContact O-N 3.31Å; H116-D131 CarbonylContact O-C 3.56Å; H116-T132 WeakPolarHBondContact O-CB 3.44Å; H116-T132 PolarHBondContact O-N 3.39Å; H116-T132 PolarHBondContact O-OG1 3.16Å; H116-A133 HydrophobicContact CB-CB 4.15Å
117	C	35.6	Very low	42.2	Very low	29 Å²	29	56.7 Å²	56.7	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.1	-179.6	-64.4	0	0	0	0	113.2	L113 I129 W130	L113-C117 CarbonylContact C-O 3.57Å; L113-C117 HydrophobicContact CB-CB 4.24Å; L113-C117 PolarHBondContact N-O 3.07Å; L113-C117 WeakPolarHBondContact O-CA 3.42Å; L113-C117 WeakPolarHBondContact O-CB 3.26Å; L113-C117 PolarHBondContact O-N 3.33Å; C117-I129 HydrophobicContact CB-CG2 4.47Å; C117-W130 CarbonylContact C-O 3.58Å; C117-W130 WeakPolarHBondContact CA-O 3.46Å; C117-W130 WeakPolarHBondContact CB-O 3.34Å
118	S	41.5	Very low	43.1	Very low	34 Å²	34	56.3 Å²	56.3	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.6	172.3	-78.4	0	0	0	0	110.8	W130 T132	S118-W130 PolarHBondContact N-O 2.64Å; S118-W130 WeakPolarHBondContact O-CB 3.37Å; S118-W130 PolarHBondContact O-N 3.1Å; S118-T132 WeakPolarHBondContact OG-CG2 3.45Å
119	M	45.1	Very low	43.9	Very low	12 Å²	12	55.8 Å²	55.8	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.7	178.8	-111	-179	53.5	0	0	111.9	L113 V127 R128 I129 V163 L170	L113-M119 HydrophobicContact CD1-CB 4.23Å; L113-M119 HydrophobicContact CD1-CG 4.03Å; L113-M119 HydrophobicContact CD1-SD 3.52Å; L113-M119 VanDerWaalsContact CD1-SD 3.52Å; M119-V127 HydrophobicContact CE-CB 4.46Å; M119-V127 HydrophobicContact CE-CG1 3.27Å; M119-V127 HydrophobicContact CE-CG2 4.38Å; M119-V127 HydrophobicContact CG-CG1 4.12Å; M119-V127 HydrophobicContact SD-CG1 3.72Å; M119-R128 WeakPolarHBondContact CA-O 3.33Å; M119-I129 HydrophobicContact CG-CB 4.3Å; M119-I129 HydrophobicContact CG-CG1 3.7Å; M119-I129 HydrophobicContact SD-CD1 4.4Å; M119-I129 HydrophobicContact SD-CG1 3.85Å; M119-V163 HydrophobicContact CE-CG1 3.42Å; M119-V163 VanDerWaalsContact CE-CG1 3.42Å; M119-L170 HydrophobicContact CE-CD1 3.3Å; M119-L170 HydrophobicContact CE-CD2 4.1Å; M119-L170 HydrophobicContact CE-CG 4.36Å; M119-L170 HydrophobicContact SD-CD1 3.71Å; M119-L170 HydrophobicContact SD-CD2 4.19Å
120	L	44	Very low	44.4	Very low	30 Å²	30	55.4 Å²	55.4	16%	0.157	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.2	176.6	-116.8	136.6	0	0	0	108.9	L105 R128	L105-L120 HydrophobicContact CD1-CD1 4.36Å; L105-L120 HydrophobicContact CD2-CD1 4.13Å; L120-R128 PolarHBondContact N-O 3.3Å; L120-R128 PolarHBondContact O-N 3.47Å
121	L	45.2	Very low	45	Very low	31 Å²	31	54.3 Å²	54.3	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.7	170	-171.9	78.7	0	0	0	107.4	S108 V127 L143 C161 V163	S108-L121 VanDerWaalsContact CB-O 3.25Å; S108-L121 WeakPolarHBondContact CB-O 3.11Å; L121-V127 HydrophobicContact CD1-CG2 3.39Å; L121-L143 HydrophobicContact CD1-CD1 3.78Å; L121-C161 HydrophobicContact CD2-CB 3.92Å; L121-V163 HydrophobicContact CB-CG2 4.38Å; L121-V163 HydrophobicContact CD1-CG2 4.17Å; L121-V163 HydrophobicContact CD2-CG2 4.16Å; L121-V163 HydrophobicContact CG-CG2 4.48Å
122	D	47.1	Very low	45.3	Very low	50 Å²	50	54.8 Å²	54.8	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	155.2	177.5	-107.4	-28.1	0	0	0	111.3	D124 E125 T126 R128	D122-D124 WeakPolarHBondContact CB-OD1 3.29Å; D122-D124 PolarHBondContact O-N 3.3Å; D122-D124 VanDerWaalsContact O-N 3.13Å; D122-E125 PolarHBondContact O-N 2.96Å; D122-E125 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact N-O 3.38Å; D122-R128 IonicContact OD2-CZ 3.79Å; D122-R128 IonicContact OD2-NE 3.33Å; D122-R128 PolarHBondContact OD2-NE 3.03Å; D122-R128 IonicContact OD2-NH2 2.84Å; D122-R128 PolarHBondContact OD2-NH2 3.35Å
123	M	43.4	Very low	45.6	Very low	139 Å²	139	54 Å²	54	69%	0.685	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.8	176.9	-74	-76.6	-70.7	0	0	112.7	E125	M123-E125 PolarHBondContact O-N 3.26Å
124	D	52.2	Low	46.1	Very low	97 Å²	97	60.2 Å²	60.2	52%	0.519	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	28.9	177.4	36.9	-54.4	0	0	0	113	D122 T126	D122-D124 WeakPolarHBondContact CB-OD1 3.29Å; D122-D124 PolarHBondContact O-N 3.3Å; D122-D124 VanDerWaalsContact O-N 3.13Å; D124-T126 PolarHBondContact O-N 2.96Å; D124-T126 VanDerWaalsContact O-N 3.12Å; D124-T126 PolarHBondContact O-OG1 3.09Å
125	E	57.6	Low	46.5	Very low	18 Å²	18	56.4 Å²	56.4	8%	0.084	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	33	172.8	-59	171.7	-168.8	0	0	113.1	D122 M123 L143 R144 I156	D122-E125 PolarHBondContact O-N 2.96Å; D122-E125 VanDerWaalsContact O-N 3.11Å; M123-E125 PolarHBondContact O-N 3.26Å; E125-L143 VanDerWaalsContact O-CB 3.32Å; E125-L143 WeakPolarHBondContact O-CB 3.22Å; E125-L143 PolarHBondContact O-N 3.07Å; E125-R144 IonicContact OE1-CZ 3.48Å; E125-R144 IonicContact OE1-NE 2.91Å; E125-R144 IonicContact OE1-NH2 2.98Å; E125-R144 PolarHBondContact OE1-NH2 3.44Å; E125-R144 WeakPolarHBondContact OE2-CB 3.39Å; E125-R144 IonicContact OE2-CZ 3.79Å; E125-R144 IonicContact OE2-NE 2.64Å; E125-R144 PolarHBondContact OE2-NE 3.26Å; E125-R144 IonicContact OE2-NH2 3.49Å; E125-R144 PolarHBondContact OE2-NH2 3.01Å; E125-I156 HydrophobicContact CG-CG2 4.05Å; E125-I156 WeakPolarHBondContact OE1-CB 3.49Å; E125-I156 VanDerWaalsContact OE2-CD1 3.32Å; E125-I156 WeakPolarHBondContact OE2-CD1 3.42Å
126	T	53.5	Low	47	Very low	4 Å²	4	59.4 Å²	59.4	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.7	-174.4	-56	0	0	0	0	108.9	D122 D124 R128 V140 I141 Q142	D122-T126 PolarHBondContact N-O 3.38Å; D124-T126 PolarHBondContact O-N 2.96Å; D124-T126 VanDerWaalsContact O-N 3.12Å; D124-T126 PolarHBondContact O-OG1 3.09Å; T126-R128 HydrophobicContact CG2-CG 4.35Å; T126-V140 HydrophobicContact CG2-CG1 3.16Å; T126-I141 CarbonylContact C-O 3.6Å; T126-I141 WeakPolarHBondContact CA-O 3.42Å; T126-Q142 HydrophobicContact CG2-CG 4.22Å
127	V	55.9	Low	47.5	Very low	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.4	172.3	166.3	0	0	0	0	108.2	M119 L121 V140 I141 L143	M119-V127 HydrophobicContact CE-CB 4.46Å; M119-V127 HydrophobicContact CE-CG1 3.27Å; M119-V127 HydrophobicContact CE-CG2 4.38Å; M119-V127 HydrophobicContact CG-CG1 4.12Å; M119-V127 HydrophobicContact SD-CG1 3.72Å; L121-V127 HydrophobicContact CD1-CG2 3.39Å; V127-V140 CarbonylContact O-C 3.52Å; V127-I141 HydrophobicContact CB-CB 4.14Å; V127-I141 HydrophobicContact CG1-CD1 4.36Å; V127-I141 PolarHBondContact N-O 3.35Å; V127-I141 PolarHBondContact O-N 2.63Å; V127-L143 HydrophobicContact CG2-CD1 3.69Å; V127-L143 HydrophobicContact CG2-CG 4.35Å
128	R	51.9	Low	48.2	Very low	78 Å²	78	58 Å²	58	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	174.1	-59.5	-173.8	-169.2	-127.8	-0.9	110.1	M119 L120 D122 T126 H139 V140	M119-R128 WeakPolarHBondContact CA-O 3.33Å; L120-R128 PolarHBondContact N-O 3.3Å; L120-R128 PolarHBondContact O-N 3.47Å; D122-R128 IonicContact OD2-CZ 3.79Å; D122-R128 IonicContact OD2-NE 3.33Å; D122-R128 PolarHBondContact OD2-NE 3.03Å; D122-R128 IonicContact OD2-NH2 2.84Å; D122-R128 PolarHBondContact OD2-NH2 3.35Å; T126-R128 HydrophobicContact CG2-CG 4.35Å; R128-H139 CarbonylContact C-O 3.59Å; R128-H139 WeakPolarHBondContact CA-O 3.36Å; R128-V140 HydrophobicContact CG-CG2 4.33Å
129	I	52.7	Low	48.8	Very low	11 Å²	11	60.9 Å²	60.9	6%	0.056	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.2	172.9	-54.7	175.7	0	0	0	107.2	C117 M119 C137 L138 H139 I141 L183	C117-I129 HydrophobicContact CB-CG2 4.47Å; M119-I129 HydrophobicContact CG-CB 4.3Å; M119-I129 HydrophobicContact CG-CG1 3.7Å; M119-I129 HydrophobicContact SD-CD1 4.4Å; M119-I129 HydrophobicContact SD-CG1 3.85Å; I129-C137 CarbonylContact O-C 3.56Å; I129-L138 PolarHBondContact O-N 2.7Å; I129-H139 HydrophobicContact CB-CB 4.36Å; I129-H139 HydrophobicContact CD1-CB 4.34Å; I129-H139 PolarHBondContact N-O 3.23Å; I129-H139 PolarHBondContact O-N 3.06Å; I129-I141 HydrophobicContact CD1-CD1 4.35Å; I129-L183 HydrophobicContact CD1-CD1 4.34Å; I129-L183 HydrophobicContact CD1-CD2 4.37Å
130	W	47.5	Very low	49.3	Very low	85 Å²	85	63.6 Å²	63.6	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.5	-178.1	-69.3	79.9	0	0	0	110.6	C117 S118 T132 G135 K136 C137	C117-W130 CarbonylContact C-O 3.58Å; C117-W130 WeakPolarHBondContact CA-O 3.46Å; C117-W130 WeakPolarHBondContact CB-O 3.34Å; S118-W130 PolarHBondContact N-O 2.64Å; S118-W130 WeakPolarHBondContact O-CB 3.37Å; S118-W130 PolarHBondContact O-N 3.1Å; W130-T132 PolarHBondContact O-N 2.93Å; W130-G135 WeakPolarHBondContact CZ3-O 3.22Å; W130-K136 CarbonylContact C-O 3.45Å; W130-K136 WeakPolarHBondContact CA-O 3.43Å; W130-K136 VanDerWaalsContact CE3-C 3.47Å; W130-C137 HydrophobicContact CD2-CB 3.95Å; W130-C137 HydrophobicContact CE3-CB 4.03Å; W130-C137 VanDerWaalsContact CE3-N 3.31Å; W130-C137 HydrophobicContact CH2-CB 4.03Å; W130-C137 HydrophobicContact CZ2-CB 3.95Å; W130-C137 HydrophobicContact CZ3-CB 4.07Å
131	D	49.3	Very low	49.9	Very low	31 Å²	31	63.9 Å²	63.9	17%	0.166	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.4	158.6	-168.7	-45	0	0	0	108.1	H116 A133 E134 G135 K136 L138	H116-D131 CarbonylContact O-C 3.56Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 VanDerWaalsContact OD1-CB 3.32Å; D131-A133 WeakPolarHBondContact OD1-CB 3.46Å; D131-A133 PolarHBondContact OD1-N 3.17Å; D131-E134 HydrophobicContact CB-CB 4.29Å; D131-E134 PolarHBondContact OD1-N 3.22Å; D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.24Å; D131-G135 WeakPolarHBondContact O-CA 3.24Å; D131-G135 PolarHBondContact O-N 3.48Å; D131-K136 PolarHBondContact N-O 2.96Å; D131-K136 PolarHBondContact O-N 3.06Å; D131-K136 VanDerWaalsContact O-N 3.14Å; D131-L138 HydrophobicContact CB-CD1 3.99Å; D131-L138 HydrophobicContact CB-CD2 4.14Å; D131-L138 HydrophobicContact CB-CG 3.99Å
132	T	46.2	Very low	50.7	Low	78 Å²	78	68.3 Å²	68.3	48%	0.479	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.2	176.7	50.8	0	0	0	0	114.3	H116 S118 W130	H116-T132 WeakPolarHBondContact O-CB 3.44Å; H116-T132 PolarHBondContact O-N 3.39Å; H116-T132 PolarHBondContact O-OG1 3.16Å; S118-T132 WeakPolarHBondContact OG-CG2 3.45Å; W130-T132 PolarHBondContact O-N 2.93Å
133	A	42.6	Very low	51.2	Low	72 Å²	72	66.1 Å²	66.1	60%	0.595	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-38.1	174.2	0	0	0	0	0	110.7	H116 D131	H116-A133 HydrophobicContact CB-CB 4.15Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 VanDerWaalsContact OD1-CB 3.32Å; D131-A133 WeakPolarHBondContact OD1-CB 3.46Å; D131-A133 PolarHBondContact OD1-N 3.17Å
134	E	46.4	Very low	51.9	Low	144 Å²	144	65.9 Å²	65.9	67%	0.673	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.3	-179.1	-62.4	-161.5	167	0	0	114.6	D131 K136	D131-E134 HydrophobicContact CB-CB 4.29Å; D131-E134 PolarHBondContact OD1-N 3.22Å; E134-K136 VanDerWaalsContact C-N 3.26Å; E134-K136 HydrophobicContact CB-CB 4.16Å; E134-K136 PolarHBondContact O-N 2.92Å
135	G	42.9	Very low	52.1	Low	53 Å²	53	67.5 Å²	67.5	55%	0.546	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	29.2	-173.5	0	0	0	0	0	113	W130 D131	W130-G135 WeakPolarHBondContact CZ3-O 3.22Å; D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.24Å; D131-G135 WeakPolarHBondContact O-CA 3.24Å; D131-G135 PolarHBondContact O-N 3.48Å
136	K	46.4	Very low	51.8	Low	129 Å²	129	69.4 Å²	69.4	56%	0.561	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	-170.4	-160.3	179.6	-176.5	-178.1	0	111.3	W130 D131 E134 L138	W130-K136 CarbonylContact C-O 3.45Å; W130-K136 WeakPolarHBondContact CA-O 3.43Å; W130-K136 VanDerWaalsContact CE3-C 3.47Å; D131-K136 PolarHBondContact N-O 2.96Å; D131-K136 PolarHBondContact O-N 3.06Å; D131-K136 VanDerWaalsContact O-N 3.14Å; E134-K136 VanDerWaalsContact C-N 3.26Å; E134-K136 HydrophobicContact CB-CB 4.16Å; E134-K136 PolarHBondContact O-N 2.92Å; K136-L138 PolarHBondContact O-N 2.81Å
137	C	50.1	Low	51.7	Low	43 Å²	43	69.3 Å²	69.3	29%	0.291	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.2	173	-172.2	0	0	0	0	109.2	I129 W130	I129-C137 CarbonylContact O-C 3.56Å; W130-C137 HydrophobicContact CD2-CB 3.95Å; W130-C137 HydrophobicContact CE3-CB 4.03Å; W130-C137 VanDerWaalsContact CE3-N 3.31Å; W130-C137 HydrophobicContact CH2-CB 4.03Å; W130-C137 HydrophobicContact CZ2-CB 3.95Å; W130-C137 HydrophobicContact CZ3-CB 4.07Å
138	L	50.9	Low	51.6	Low	79 Å²	79	73.2 Å²	73.2	41%	0.414	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-40.3	179.6	-65.4	176.5	0	0	0	111.5	I129 D131 K136	I129-L138 PolarHBondContact O-N 2.7Å; D131-L138 HydrophobicContact CB-CD1 3.99Å; D131-L138 HydrophobicContact CB-CD2 4.14Å; D131-L138 HydrophobicContact CB-CG 3.99Å; K136-L138 PolarHBondContact O-N 2.81Å
139	H	54.3	Low	51.6	Low	94 Å²	94	77.8 Å²	77.8	44%	0.435	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149	-177.5	-128.3	-51.1	0	0	0	112.6	R128 I129	R128-H139 CarbonylContact C-O 3.59Å; R128-H139 WeakPolarHBondContact CA-O 3.36Å; I129-H139 HydrophobicContact CB-CB 4.36Å; I129-H139 HydrophobicContact CD1-CB 4.34Å; I129-H139 PolarHBondContact N-O 3.23Å; I129-H139 PolarHBondContact O-N 3.06Å
140	V	54.8	Low	51.2	Low	69 Å²	69	79 Å²	79	42%	0.418	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124	173.6	-176	0	0	0	0	107.7	T126 V127 R128	T126-V140 HydrophobicContact CG2-CG1 3.16Å; V127-V140 CarbonylContact O-C 3.52Å; R128-V140 HydrophobicContact CG-CG2 4.33Å
141	I	56.9	Low	51.2	Low	35 Å²	35	79.5 Å²	79.5	18%	0.179	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.4	176.2	-57.2	170.9	0	0	0	107.2	T126 V127 I129 L143 L170	T126-I141 CarbonylContact C-O 3.6Å; T126-I141 WeakPolarHBondContact CA-O 3.42Å; V127-I141 HydrophobicContact CB-CB 4.14Å; V127-I141 HydrophobicContact CG1-CD1 4.36Å; V127-I141 PolarHBondContact N-O 3.35Å; V127-I141 PolarHBondContact O-N 2.63Å; I129-I141 HydrophobicContact CD1-CD1 4.35Å; I141-L143 PolarHBondContact O-N 2.83Å; I141-L170 HydrophobicContact CD1-CD2 4.47Å
142	Q	63.2	Low	51.3	Low	124 Å²	124	82.5 Å²	82.5	58%	0.579	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.4	172.4	-76.5	-161.6	-15.9	0	0	110.5	T126 R144	T126-Q142 HydrophobicContact CG2-CG 4.22Å; Q142-R144 VanDerWaalsContact C-N 3.33Å; Q142-R144 PolarHBondContact O-N 3.14Å
143	L	56.3	Low	51.7	Low	4 Å²	4	86.3 Å²	86.3	2%	0.021	44%	0.443	C	S	.	.	H	α-helix	trans	-65.5	-36.6	-179.6	-80.2	155.3	0	0	0	111.7	L121 E125 V127 I141 H145 L146 L147 V172 L179	L121-L143 HydrophobicContact CD1-CD1 3.78Å; E125-L143 VanDerWaalsContact O-CB 3.32Å; E125-L143 WeakPolarHBondContact O-CB 3.22Å; E125-L143 PolarHBondContact O-N 3.07Å; V127-L143 HydrophobicContact CG2-CD1 3.69Å; V127-L143 HydrophobicContact CG2-CG 4.35Å; I141-L143 PolarHBondContact O-N 2.83Å; L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 2.76Å; L143-L146 PolarHBondContact O-N 2.81Å; L143-L146 VanDerWaalsContact O-N 3.12Å; L143-L147 HydrophobicContact CB-CD1 4.14Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.47Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-V172 HydrophobicContact CD1-CG1 4.15Å; L143-V172 HydrophobicContact CD2-CG1 4.3Å; L143-V172 HydrophobicContact CD2-CG2 4.41Å; L143-L179 HydrophobicContact CD2-CD2 3.65Å
144	R	57.8	Low	52.1	Low	135 Å²	135	85.1 Å²	85.1	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-56.5	-40.7	-178.5	-168.4	163.4	-85.9	-151.8	-5.9	113.2	E125 Q142 N148	E125-R144 IonicContact OE1-CZ 3.48Å; E125-R144 IonicContact OE1-NE 2.91Å; E125-R144 IonicContact OE1-NH2 2.98Å; E125-R144 PolarHBondContact OE1-NH2 3.44Å; E125-R144 WeakPolarHBondContact OE2-CB 3.39Å; E125-R144 IonicContact OE2-CZ 3.79Å; E125-R144 IonicContact OE2-NE 2.64Å; E125-R144 PolarHBondContact OE2-NE 3.26Å; E125-R144 IonicContact OE2-NH2 3.49Å; E125-R144 PolarHBondContact OE2-NH2 3.01Å; Q142-R144 VanDerWaalsContact C-N 3.33Å; Q142-R144 PolarHBondContact O-N 3.14Å; R144-N148 VanDerWaalsContact O-CB 3.31Å; R144-N148 WeakPolarHBondContact O-CB 3.19Å; R144-N148 VanDerWaalsContact O-CG 3.27Å; R144-N148 PolarHBondContact O-N 3.29Å
145	H	56.7	Low	52.4	Low	130 Å²	130	82.5 Å²	82.5	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-73.3	-35.1	-179.6	-157	52.5	0	0	0	112.2	L143 R149	L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 2.76Å; H145-R149 WeakPolarHBondContact O-CG 3.41Å; H145-R149 PolarHBondContact O-N 2.72Å
146	L	51.3	Low	52.8	Low	59 Å²	59	81 Å²	81	31%	0.309	41%	0.407	S	S	.	.	H	α-helix	trans	-68.7	-41.3	174.9	-140.6	102.5	0	0	0	111.3	L143 R149 L150 L179 L181	L143-L146 PolarHBondContact O-N 2.81Å; L143-L146 VanDerWaalsContact O-N 3.12Å; L146-R149 PolarHBondContact O-N 3.47Å; L146-L150 HydrophobicContact CD2-CD1 4.23Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.23Å; L146-L179 HydrophobicContact CD2-CD1 4.4Å; L146-L179 HydrophobicContact CD2-CD2 3.87Å; L146-L181 HydrophobicContact CD2-CD2 4.03Å
147	L	51.4	Low	53.1	Low	2 Å²	2	81.9 Å²	81.9	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-74	-40.6	-178.9	-77.7	163.3	0	0	0	112.6	L143 R149 L150 K151 I156 F174 F177	L143-L147 HydrophobicContact CB-CD1 4.14Å; L143-L147 HydrophobicContact CD2-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.47Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.39Å; L147-R149 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 3.34Å; L147-K151 CarbonylContact O-C 3.51Å; L147-K151 PolarHBondContact O-N 3.28Å; L147-I156 HydrophobicContact CB-CD1 4.18Å; L147-I156 HydrophobicContact CD1-CD1 3.28Å; L147-I156 HydrophobicContact CD1-CG1 3.95Å; L147-I156 HydrophobicContact CG-CD1 4.31Å; L147-F174 HydrophobicContact CD1-CE1 4.34Å; L147-F174 HydrophobicContact CD1-CE2 4.19Å; L147-F174 HydrophobicContact CD1-CZ 3.69Å; L147-F177 HydrophobicContact CD1-CZ 4.2Å; L147-F177 HydrophobicContact CD2-CE1 4.46Å; L147-F177 HydrophobicContact CD2-CE2 3.5Å; L147-F177 HydrophobicContact CD2-CZ 3.33Å; L147-F177 HydrophobicContact CG-CZ 4.44Å
148	N	54.6	Low	52.7	Low	82 Å²	82	81.2 Å²	81.2	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-30.1	172.7	-79.5	-2.1	0	0	0	112.4	R144	R144-N148 VanDerWaalsContact O-CB 3.31Å; R144-N148 WeakPolarHBondContact O-CB 3.19Å; R144-N148 VanDerWaalsContact O-CG 3.27Å; R144-N148 PolarHBondContact O-N 3.29Å
149	R	50.3	Low	52.3	Low	175 Å²	175	82.3 Å²	82.3	66%	0.66	43%	0.429	S	S	*	.	H	α-helix	trans	-76	-31.3	174.5	-77.4	-177.2	64	-166.2	-6	113.6	H145 L146 L147	H145-R149 WeakPolarHBondContact O-CG 3.41Å; H145-R149 PolarHBondContact O-N 2.72Å; L146-R149 PolarHBondContact O-N 3.47Å; L147-R149 PolarHBondContact O-N 3.42Å
150	L	46.2	Very low	52.1	Low	37 Å²	37	82.3 Å²	82.3	19%	0.194	43%	0.429	C	S	.	.	H	α-helix	trans	-91.9	-32	-176.1	-71.6	168.8	0	0	0	112.9	L146 L147 L179 Q264 L267	L146-L150 HydrophobicContact CD2-CD1 4.23Å; L146-L150 WeakPolarHBondContact O-CG 3.26Å; L146-L150 PolarHBondContact O-N 3.23Å; L147-L150 PolarHBondContact O-N 3.34Å; L150-L179 HydrophobicContact CD1-CD1 3.62Å; L150-Q264 PolarHBondContact O-NE2 3.43Å; L150-L267 HydrophobicContact CD2-CD1 3.88Å
151	K	47.5	Very low	51.8	Low	94 Å²	94	79.8 Å²	79.8	41%	0.409	42%	0.415	S	S	.	.			trans	-158.4	91.2	-178.7	-143.3	178	-172.5	-178.9	0	109.9	L147 D153 F154	L147-K151 CarbonylContact O-C 3.51Å; L147-K151 PolarHBondContact O-N 3.28Å; K151-D153 PolarHBondContact O-N 2.82Å; K151-D153 VanDerWaalsContact O-N 3.1Å; K151-F154 HydrophobicContact CB-CB 4.35Å; K151-F154 HydrophobicContact CD-CD2 4.41Å; K151-F154 PolarHBondContact O-N 3.34Å
152	P	50.6	Low	51.4	Low	95 Å²	95	85 Å²	85	62%	0.617	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	-170.2	-17.4	24.8	0	0	0	115.1
153	D	53.6	Low	50.7	Low	158 Å²	158	79.9 Å²	79.9	85%	0.845	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	9.3	-172.8	-57.6	-39.3	0	0	0	114.1	K151 A155	K151-D153 PolarHBondContact O-N 2.82Å; K151-D153 VanDerWaalsContact O-N 3.1Å; D153-A155 PolarHBondContact O-N 3.39Å
154	F	51.8	Low	50.3	Low	46 Å²	46	80 Å²	80	20%	0.202	41%	0.409	C	S	.	.			trans	-89.3	108.7	-174.9	-161	-84.5	0	0	0	112.4	K151 I156 H176 F177	K151-F154 HydrophobicContact CB-CB 4.35Å; K151-F154 HydrophobicContact CD-CD2 4.41Å; K151-F154 PolarHBondContact O-N 3.34Å; F154-I156 HydrophobicContact CD1-CG1 4.05Å; F154-I156 HydrophobicContact CE1-CG1 4.47Å; F154-I156 PolarHBondContact O-N 2.95Å; F154-H176 HydrophobicContact CE2-CB 4.5Å; F154-F177 AromaticContact CD1-CE1 3.69Å; F154-F177 HydrophobicContact CD1-CE1 3.69Å; F154-F177 HydrophobicContact CD1-CZ 4.38Å; F154-F177 HydrophobicContact CD2-CD1 4.42Å; F154-F177 HydrophobicContact CD2-CE1 4.23Å; F154-F177 HydrophobicContact CE1-CD1 4.15Å; F154-F177 AromaticContact CE1-CE1 3.39Å; F154-F177 HydrophobicContact CE1-CE1 3.39Å; F154-F177 HydrophobicContact CE1-CZ 4.36Å; F154-F177 AromaticContact CE2-CD1 3.91Å; F154-F177 HydrophobicContact CE2-CD1 3.91Å; F154-F177 AromaticContact CE2-CE1 3.93Å; F154-F177 HydrophobicContact CE2-CE1 3.93Å; F154-F177 HydrophobicContact CG-CE1 4.11Å; F154-F177 AromaticContact CZ-CD1 3.76Å; F154-F177 HydrophobicContact CZ-CD1 3.76Å; F154-F177 AromaticContact CZ-CE1 3.5Å; F154-F177 HydrophobicContact CZ-CE1 3.5Å; F154-F177 VanDerWaalsContact CZ-CE1 3.5Å
155	A	52.7	Low	49.8	Very low	90 Å²	90	74.8 Å²	74.8	74%	0.744	39%	0.393	S	S	*	.			trans	-79.5	111.4	173.9	0	0	0	0	0	111	D153	D153-A155 PolarHBondContact O-N 3.39Å
156	I	52	Low	49.2	Very low	20 Å²	20	71.3 Å²	71.3	10%	0.103	39%	0.388	C	S	.	.			trans	-82	125.4	179	-59.1	154	0	0	0	108.9	E125 L147 F154 F174	E125-I156 HydrophobicContact CG-CG2 4.05Å; E125-I156 WeakPolarHBondContact OE1-CB 3.49Å; E125-I156 VanDerWaalsContact OE2-CD1 3.32Å; E125-I156 WeakPolarHBondContact OE2-CD1 3.42Å; L147-I156 HydrophobicContact CB-CD1 4.18Å; L147-I156 HydrophobicContact CD1-CD1 3.28Å; L147-I156 HydrophobicContact CD1-CG1 3.95Å; L147-I156 HydrophobicContact CG-CD1 4.31Å; F154-I156 HydrophobicContact CD1-CG1 4.05Å; F154-I156 HydrophobicContact CE1-CG1 4.47Å; F154-I156 PolarHBondContact O-N 2.95Å; I156-F174 HydrophobicContact CG1-CE1 4.34Å; I156-F174 HydrophobicContact CG2-CD1 4.26Å; I156-F174 HydrophobicContact CG2-CE1 3.74Å
157	K	51.5	Low	49.2	Very low	148 Å²	148	70.6 Å²	70.6	64%	0.643	40%	0.395	S	S	*	.			trans	-101.3	108.6	163.2	-72.9	-177	179.9	177	0	107.8	A159 E160	K157-A159 PolarHBondContact O-N 2.9Å; K157-E160 PolarHBondContact O-N 2.9Å
158	A	43	Very low	49.2	Very low	30 Å²	30	76.5 Å²	76.5	25%	0.248	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-53.5	-28.9	-176.7	0	0	0	0	0	113.8	E160 C161	A158-E160 PolarHBondContact O-N 3.18Å; A158-E160 VanDerWaalsContact O-N 3.16Å; A158-C161 PolarHBondContact O-N 3.15Å
159	A	41.3	Very low	48.6	Very low	102 Å²	102	75.4 Å²	75.4	84%	0.843	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-65.7	-11.6	178.6	0	0	0	0	0	115	K157	K157-A159 PolarHBondContact O-N 2.9Å
160	E	50.8	Low	48.6	Very low	93 Å²	93	67 Å²	67	44%	0.435	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-117.8	15.4	-175.8	-65.6	175.7	-172.6	0	0	112.9	K157 A158 L175	K157-E160 PolarHBondContact O-N 2.9Å; A158-E160 PolarHBondContact O-N 3.18Å; A158-E160 VanDerWaalsContact O-N 3.16Å; E160-L175 HydrophobicContact CB-CD1 4.4Å; E160-L175 HydrophobicContact CG-CD1 4.44Å
161	C	48.8	Very low	48.7	Very low	17 Å²	17	65.5 Å²	65.5	12%	0.115	37%	0.374	C	S	.	.			trans	-99.7	130.3	179.5	-178.2	0	0	0	0	110.8	L121 A158 V172 A173 F174	L121-C161 HydrophobicContact CD2-CB 3.92Å; A158-C161 PolarHBondContact O-N 3.15Å; C161-V172 WeakPolarHBondContact SG-CG1 3.44Å; C161-A173 CarbonylContact C-O 3.5Å; C161-A173 WeakPolarHBondContact CA-O 3.42Å; C161-F174 HydrophobicContact CB-CD1 4.21Å; C161-F174 HydrophobicContact CB-CE1 4.16Å
162	R	47.6	Very low	49	Very low	145 Å²	145	61 Å²	61	55%	0.547	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.7	171.9	-72.3	-163.2	172.8	166.5	3.7	111.3	E109 F164 A173	E109-R162 IonicContact OE1-CZ 2.77Å; E109-R162 IonicContact OE1-NE 3.43Å; E109-R162 PolarHBondContact OE1-NE 2.9Å; R162-F164 HydrophobicContact CB-CE2 3.67Å; R162-F164 HydrophobicContact CB-CZ 3.86Å; R162-A173 PolarHBondContact N-O 2.98Å; R162-A173 PolarHBondContact O-N 2.78Å
163	V	48.9	Very low	48.9	Very low	15 Å²	15	57 Å²	57	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.3	-175.3	-170.9	0	0	0	0	110.9	M119 L121 L170 A171 V172	M119-V163 HydrophobicContact CE-CG1 3.42Å; M119-V163 VanDerWaalsContact CE-CG1 3.42Å; L121-V163 HydrophobicContact CB-CG2 4.38Å; L121-V163 HydrophobicContact CD1-CG2 4.17Å; L121-V163 HydrophobicContact CD2-CG2 4.16Å; L121-V163 HydrophobicContact CG-CG2 4.48Å; V163-L170 HydrophobicContact CG1-CD1 3.52Å; V163-A171 WeakPolarHBondContact CA-O 3.47Å; V163-V172 HydrophobicContact CG1-CG2 4.3Å; V163-V172 HydrophobicContact CG2-CG1 4.34Å; V163-V172 HydrophobicContact CG2-CG2 4.48Å
164	F	47.9	Very low	48.9	Very low	6 Å²	6	50.2 Å²	50.2	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	-177.2	-53.2	-94.1	0	0	0	109.2	R162 L170 A171 A173 A252 L253 A256	R162-F164 HydrophobicContact CB-CE2 3.67Å; R162-F164 HydrophobicContact CB-CZ 3.86Å; F164-L170 CarbonylContact O-C 3.59Å; F164-L170 WeakPolarHBondContact O-CA 3.32Å; F164-A171 HydrophobicContact CB-CB 4.29Å; F164-A171 PolarHBondContact N-O 2.86Å; F164-A171 PolarHBondContact O-N 3.03Å; F164-A173 HydrophobicContact CD2-CB 4.38Å; F164-A173 HydrophobicContact CE2-CB 3.75Å; F164-A252 HydrophobicContact CE1-CB 3.91Å; F164-L253 HydrophobicContact CB-CD1 3.84Å; F164-L253 HydrophobicContact CD1-CB 4.08Å; F164-L253 HydrophobicContact CD1-CD1 4.33Å; F164-L253 HydrophobicContact CD2-CD1 3.99Å; F164-L253 HydrophobicContact CG-CB 4.38Å; F164-L253 HydrophobicContact CG-CD1 3.8Å; F164-A256 HydrophobicContact CE2-CB 3.98Å; F164-A256 HydrophobicContact CZ-CB 3.85Å
165	S	47.6	Very low	48.9	Very low	26 Å²	26	52.9 Å²	52.9	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.1	176.3	66.3	0	0	0	0	110.9	T169	S165-T169 WeakPolarHBondContact CA-O 3.14Å
166	A	42.8	Very low	48.5	Very low	58 Å²	58	53.4 Å²	53.4	48%	0.479	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	110.7	173.9	0	0	0	0	0	109.8	R168 T169	A166-R168 PolarHBondContact O-N 2.83Å; A166-T169 PolarHBondContact N-O 3.44Å; A166-T169 PolarHBondContact O-N 2.86Å
167	G	51.9	Low	48.2	Very low	44 Å²	44	52.7 Å²	52.7	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-119.7	-178.3	0	0	0	0	0	112
168	R	51	Low	48.1	Very low	126 Å²	126	45.7 Å²	45.7	48%	0.475	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8	174.6	-69.1	-175.7	-175.2	175.1	-0.5	112.8	A166 N182 L183 P185	A166-R168 PolarHBondContact O-N 2.83Å; R168-N182 VanDerWaalsContact CB-OD1 3.32Å; R168-N182 WeakPolarHBondContact CB-OD1 3.29Å; R168-N182 CarbonylContact O-C 3.6Å; R168-N182 PolarHBondContact O-OD1 2.97Å; R168-L183 VanDerWaalsContact CB-O 3.26Å; R168-L183 WeakPolarHBondContact CB-O 3.33Å; R168-L183 WeakPolarHBondContact CG-O 3.38Å; R168-L183 WeakPolarHBondContact O-CA 3.33Å; R168-L183 VanDerWaalsContact O-CB 3.28Å; R168-L183 WeakPolarHBondContact O-CB 3.29Å; R168-L183 PolarHBondContact O-N 3.26Å; R168-P185 HydrophobicContact CG-CG 4.33Å; R168-P185 VanDerWaalsContact NE-CD 3.31Å; R168-P185 VanDerWaalsContact NE-CG 3.33Å
169	T	43.7	Very low	48.4	Very low	58 Å²	58	44.3 Å²	44.3	36%	0.356	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.8	-171.8	-50	0	0	0	0	110.9	S165 A166 I180 L181	S165-T169 WeakPolarHBondContact CA-O 3.14Å; A166-T169 PolarHBondContact N-O 3.44Å; A166-T169 PolarHBondContact O-N 2.86Å; T169-I180 HydrophobicContact CG2-CG2 3.38Å; T169-L181 CarbonylContact C-O 3.49Å
170	L	50.5	Low	48.8	Very low	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.2	175.9	170.9	70.9	0	0	0	108.2	M119 I141 V163 F164 V172 I180 L181 L183	M119-L170 HydrophobicContact CE-CD1 3.3Å; M119-L170 HydrophobicContact CE-CD2 4.1Å; M119-L170 HydrophobicContact CE-CG 4.36Å; M119-L170 HydrophobicContact SD-CD1 3.71Å; M119-L170 HydrophobicContact SD-CD2 4.19Å; I141-L170 HydrophobicContact CD1-CD2 4.47Å; V163-L170 HydrophobicContact CG1-CD1 3.52Å; F164-L170 CarbonylContact O-C 3.59Å; F164-L170 WeakPolarHBondContact O-CA 3.32Å; L170-V172 HydrophobicContact CG-CG2 4.34Å; L170-I180 CarbonylContact O-C 3.56Å; L170-I180 WeakPolarHBondContact O-CA 3.16Å; L170-L181 HydrophobicContact CB-CB 4Å; L170-L181 HydrophobicContact CD2-CB 4.18Å; L170-L181 HydrophobicContact CD2-CD1 3.6Å; L170-L181 HydrophobicContact CG-CB 4.33Å; L170-L181 HydrophobicContact CG-CD1 4.26Å; L170-L181 PolarHBondContact N-O 3.31Å; L170-L181 PolarHBondContact O-N 3.36Å; L170-L183 HydrophobicContact CB-CD1 4.11Å; L170-L183 HydrophobicContact CB-CG 4.32Å
171	A	47.9	Very low	48.7	Very low	5 Å²	5	37.7 Å²	37.7	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	174	0	0	0	0	0	109.9	V163 F164 V178 L179 I180 L253	V163-A171 WeakPolarHBondContact CA-O 3.47Å; F164-A171 HydrophobicContact CB-CB 4.29Å; F164-A171 PolarHBondContact N-O 2.86Å; F164-A171 PolarHBondContact O-N 3.03Å; A171-V178 HydrophobicContact CB-CG1 4.08Å; A171-L179 CarbonylContact C-O 3.54Å; A171-L179 VanDerWaalsContact CA-O 3.31Å; A171-L179 WeakPolarHBondContact CA-O 3.28Å; A171-I180 HydrophobicContact CB-CG1 4.22Å; A171-L253 HydrophobicContact CB-CD1 3.79Å
172	V	53.5	Low	48.7	Very low	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.8	177.4	-175.4	0	0	0	0	106.8	L143 C161 V163 L170 F174 L179 L181	L143-V172 HydrophobicContact CD1-CG1 4.15Å; L143-V172 HydrophobicContact CD2-CG1 4.3Å; L143-V172 HydrophobicContact CD2-CG2 4.41Å; C161-V172 WeakPolarHBondContact SG-CG1 3.44Å; V163-V172 HydrophobicContact CG1-CG2 4.3Å; V163-V172 HydrophobicContact CG2-CG1 4.34Å; V163-V172 HydrophobicContact CG2-CG2 4.48Å; L170-V172 HydrophobicContact CG-CG2 4.34Å; V172-F174 HydrophobicContact CB-CE2 4.21Å; V172-F174 HydrophobicContact CG1-CD2 4.39Å; V172-F174 HydrophobicContact CG1-CE1 4.48Å; V172-F174 HydrophobicContact CG1-CE2 3.57Å; V172-F174 HydrophobicContact CG1-CZ 3.62Å; V172-L179 HydrophobicContact CB-CB 4.3Å; V172-L179 PolarHBondContact N-O 2.83Å; V172-L179 PolarHBondContact O-N 2.97Å; V172-L181 HydrophobicContact CG2-CD1 4.5Å
173	A	48	Very low	48.7	Very low	10 Å²	10	36.7 Å²	36.7	8%	0.083	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.4	-179	0	0	0	0	0	110.7	C161 R162 F164 V178 A256	C161-A173 CarbonylContact C-O 3.5Å; C161-A173 WeakPolarHBondContact CA-O 3.42Å; R162-A173 PolarHBondContact N-O 2.98Å; R162-A173 PolarHBondContact O-N 2.78Å; F164-A173 HydrophobicContact CD2-CB 4.38Å; F164-A173 HydrophobicContact CE2-CB 3.75Å; A173-V178 HydrophobicContact CB-CG2 3.81Å; A173-A256 HydrophobicContact CB-CB 4.22Å
174	F	54.1	Low	48.7	Very low	15 Å²	15	39.5 Å²	39.5	7%	0.066	22%	0.221	C	C	.	.			trans	-112.1	168.2	170	-57.3	-93.8	0	0	0	108.7	L147 I156 C161 V172 H176 F177 L179	L147-F174 HydrophobicContact CD1-CE1 4.34Å; L147-F174 HydrophobicContact CD1-CE2 4.19Å; L147-F174 HydrophobicContact CD1-CZ 3.69Å; I156-F174 HydrophobicContact CG1-CE1 4.34Å; I156-F174 HydrophobicContact CG2-CD1 4.26Å; I156-F174 HydrophobicContact CG2-CE1 3.74Å; C161-F174 HydrophobicContact CB-CD1 4.21Å; C161-F174 HydrophobicContact CB-CE1 4.16Å; V172-F174 HydrophobicContact CB-CE2 4.21Å; V172-F174 HydrophobicContact CG1-CD2 4.39Å; V172-F174 HydrophobicContact CG1-CE1 4.48Å; V172-F174 HydrophobicContact CG1-CE2 3.57Å; V172-F174 HydrophobicContact CG1-CZ 3.62Å; F174-H176 PolarHBondContact O-N 2.96Å; F174-F177 WeakPolarHBondContact CA-O 3.39Å; F174-F177 HydrophobicContact CB-CD1 3.88Å; F174-F177 HydrophobicContact CB-CE1 3.62Å; F174-F177 HydrophobicContact CB-CZ 4.08Å; F174-F177 WeakPolarHBondContact CB-O 3.22Å; F174-F177 HydrophobicContact CD1-CE1 4.28Å; F174-F177 HydrophobicContact CD1-CZ 4.18Å; F174-F177 HydrophobicContact CD2-CD1 4.16Å; F174-F177 AromaticContact CD2-CD2 3.9Å; F174-F177 HydrophobicContact CD2-CD2 3.9Å; F174-F177 AromaticContact CD2-CE1 3.52Å; F174-F177 HydrophobicContact CD2-CE1 3.52Å; F174-F177 AromaticContact CD2-CE2 3.23Å; F174-F177 HydrophobicContact CD2-CE2 3.23Å; F174-F177 HydrophobicContact CD2-CG 4.32Å; F174-F177 AromaticContact CD2-CZ 3.01Å; F174-F177 HydrophobicContact CD2-CZ 3.01Å; F174-F177 HydrophobicContact CE1-CZ 4.4Å; F174-F177 HydrophobicContact CE2-CD2 4.45Å; F174-F177 HydrophobicContact CE2-CE1 4.21Å; F174-F177 AromaticContact CE2-CE2 3.45Å; F174-F177 HydrophobicContact CE2-CE2 3.45Å; F174-F177 VanDerWaalsContact CE2-CE2 3.45Å; F174-F177 AromaticContact CE2-CZ 3.3Å; F174-F177 HydrophobicContact CE2-CZ 3.3Å; F174-F177 HydrophobicContact CG-CD1 4.23Å; F174-F177 AromaticContact CG-CE1 3.54Å; F174-F177 HydrophobicContact CG-CE1 3.54Å; F174-F177 HydrophobicContact CG-CE2 4.13Å; F174-F177 AromaticContact CG-CZ 3.5Å; F174-F177 HydrophobicContact CG-CZ 3.5Å; F174-F177 VanDerWaalsContact CG-CZ 3.5Å; F174-F177 HydrophobicContact CZ-CE2 4.49Å; F174-F177 HydrophobicContact CZ-CZ 4Å; F174-F177 PolarHBondContact N-O 2.8Å; F174-F177 PolarHBondContact O-N 2.93Å; F174-L179 HydrophobicContact CE2-CB 4.43Å
175	L	50.3	Low	48.2	Very low	103 Å²	103	40.6 Å²	40.6	54%	0.539	23%	0.229	S	C	.	.	S	Bend	trans	-51.4	-27.2	-178.7	-150.7	85.3	0	0	0	114.8	E160	E160-L175 HydrophobicContact CB-CD1 4.4Å; E160-L175 HydrophobicContact CG-CD1 4.44Å
176	H	45.4	Very low	47.7	Very low	100 Å²	100	46 Å²	46	46%	0.463	25%	0.249	S	C	.	.	S	Bend	trans	-126.5	-9.5	-175.1	-62.5	-41.5	0	0	0	115	F154 F174 T261 Y262	F154-H176 HydrophobicContact CE2-CB 4.5Å; F174-H176 PolarHBondContact O-N 2.96Å; H176-T261 PolarHBondContact O-N 3.11Å; H176-T261 PolarHBondContact O-OG1 2.9Å; H176-T261 VanDerWaalsContact O-OG1 3.06Å; H176-Y262 PolarHBondContact O-N 3.4Å
177	F	45.6	Very low	47.5	Very low	6 Å²	6	50.5 Å²	50.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	156.1	-179.9	75.2	-82.5	0	0	0	111.9	L147 F154 F174 L179 Y262	L147-F177 HydrophobicContact CD1-CZ 4.2Å; L147-F177 HydrophobicContact CD2-CE1 4.46Å; L147-F177 HydrophobicContact CD2-CE2 3.5Å; L147-F177 HydrophobicContact CD2-CZ 3.33Å; L147-F177 HydrophobicContact CG-CZ 4.44Å; F154-F177 AromaticContact CD1-CE1 3.69Å; F154-F177 HydrophobicContact CD1-CE1 3.69Å; F154-F177 HydrophobicContact CD1-CZ 4.38Å; F154-F177 HydrophobicContact CD2-CD1 4.42Å; F154-F177 HydrophobicContact CD2-CE1 4.23Å; F154-F177 HydrophobicContact CE1-CD1 4.15Å; F154-F177 AromaticContact CE1-CE1 3.39Å; F154-F177 HydrophobicContact CE1-CE1 3.39Å; F154-F177 HydrophobicContact CE1-CZ 4.36Å; F154-F177 AromaticContact CE2-CD1 3.91Å; F154-F177 HydrophobicContact CE2-CD1 3.91Å; F154-F177 AromaticContact CE2-CE1 3.93Å; F154-F177 HydrophobicContact CE2-CE1 3.93Å; F154-F177 HydrophobicContact CG-CE1 4.11Å; F154-F177 AromaticContact CZ-CD1 3.76Å; F154-F177 HydrophobicContact CZ-CD1 3.76Å; F154-F177 AromaticContact CZ-CE1 3.5Å; F154-F177 HydrophobicContact CZ-CE1 3.5Å; F154-F177 VanDerWaalsContact CZ-CE1 3.5Å; F174-F177 WeakPolarHBondContact CA-O 3.39Å; F174-F177 HydrophobicContact CB-CD1 3.88Å; F174-F177 HydrophobicContact CB-CE1 3.62Å; F174-F177 HydrophobicContact CB-CZ 4.08Å; F174-F177 WeakPolarHBondContact CB-O 3.22Å; F174-F177 HydrophobicContact CD1-CE1 4.28Å; F174-F177 HydrophobicContact CD1-CZ 4.18Å; F174-F177 HydrophobicContact CD2-CD1 4.16Å; F174-F177 AromaticContact CD2-CD2 3.9Å; F174-F177 HydrophobicContact CD2-CD2 3.9Å; F174-F177 AromaticContact CD2-CE1 3.52Å; F174-F177 HydrophobicContact CD2-CE1 3.52Å; F174-F177 AromaticContact CD2-CE2 3.23Å; F174-F177 HydrophobicContact CD2-CE2 3.23Å; F174-F177 HydrophobicContact CD2-CG 4.32Å; F174-F177 AromaticContact CD2-CZ 3.01Å; F174-F177 HydrophobicContact CD2-CZ 3.01Å; F174-F177 HydrophobicContact CE1-CZ 4.4Å; F174-F177 HydrophobicContact CE2-CD2 4.45Å; F174-F177 HydrophobicContact CE2-CE1 4.21Å; F174-F177 AromaticContact CE2-CE2 3.45Å; F174-F177 HydrophobicContact CE2-CE2 3.45Å; F174-F177 VanDerWaalsContact CE2-CE2 3.45Å; F174-F177 AromaticContact CE2-CZ 3.3Å; F174-F177 HydrophobicContact CE2-CZ 3.3Å; F174-F177 HydrophobicContact CG-CD1 4.23Å; F174-F177 AromaticContact CG-CE1 3.54Å; F174-F177 HydrophobicContact CG-CE1 3.54Å; F174-F177 HydrophobicContact CG-CE2 4.13Å; F174-F177 AromaticContact CG-CZ 3.5Å; F174-F177 HydrophobicContact CG-CZ 3.5Å; F174-F177 VanDerWaalsContact CG-CZ 3.5Å; F174-F177 HydrophobicContact CZ-CE2 4.49Å; F174-F177 HydrophobicContact CZ-CZ 4Å; F174-F177 PolarHBondContact N-O 2.8Å; F174-F177 PolarHBondContact O-N 2.93Å; F177-L179 HydrophobicContact CE2-CB 4.25Å; F177-Y262 CarbonylContact C-O 3.4Å; F177-Y262 WeakPolarHBondContact CA-O 3.43Å
178	V	48.6	Very low	46.9	Very low	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.2	173.1	179.1	0	0	0	0	109.4	A171 A173 I180 L257 S260 Y262 Q264	A171-V178 HydrophobicContact CB-CG1 4.08Å; A173-V178 HydrophobicContact CB-CG2 3.81Å; V178-I180 HydrophobicContact CG1-CG1 4.05Å; V178-L257 HydrophobicContact CB-CD2 4.47Å; V178-L257 HydrophobicContact CG1-CD2 4.44Å; V178-L257 HydrophobicContact CG2-CD2 4.42Å; V178-S260 WeakPolarHBondContact CG2-OG 3.38Å; V178-Y262 PolarHBondContact N-O 3.46Å; V178-Q264 PolarHBondContact O-N 2.62Å
179	L	50.7	Low	45.9	Very low	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.8	173.5	-170.5	83.1	0	0	0	109.4	L143 L146 L150 A171 V172 F174 F177 L181 Q264	L143-L179 HydrophobicContact CD2-CD2 3.65Å; L146-L179 HydrophobicContact CD2-CD1 4.4Å; L146-L179 HydrophobicContact CD2-CD2 3.87Å; L150-L179 HydrophobicContact CD1-CD1 3.62Å; A171-L179 CarbonylContact C-O 3.54Å; A171-L179 VanDerWaalsContact CA-O 3.31Å; A171-L179 WeakPolarHBondContact CA-O 3.28Å; V172-L179 HydrophobicContact CB-CB 4.3Å; V172-L179 PolarHBondContact N-O 2.83Å; V172-L179 PolarHBondContact O-N 2.97Å; F174-L179 HydrophobicContact CE2-CB 4.43Å; F177-L179 HydrophobicContact CE2-CB 4.25Å; L179-L181 HydrophobicContact CD2-CD1 4.05Å; L179-L181 HydrophobicContact CD2-CD2 4.4Å; L179-L181 HydrophobicContact CD2-CG 4.18Å; L179-L181 HydrophobicContact CG-CG 4.49Å; L179-Q264 HydrophobicContact CD1-CB 4.42Å
180	I	48.5	Very low	45.2	Very low	36 Å²	36	52.4 Å²	52.4	19%	0.185	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.9	178	-56.5	-179.2	0	0	0	109.4	T169 L170 A171 V178 V263 Q264 L265 P266	T169-I180 HydrophobicContact CG2-CG2 3.38Å; L170-I180 CarbonylContact O-C 3.56Å; L170-I180 WeakPolarHBondContact O-CA 3.16Å; A171-I180 HydrophobicContact CB-CG1 4.22Å; V178-I180 HydrophobicContact CG1-CG1 4.05Å; I180-V263 HydrophobicContact CD1-CG1 3.99Å; I180-V263 HydrophobicContact CG1-CG1 4.49Å; I180-Q264 PolarHBondContact N-O 3.38Å; I180-Q264 VanDerWaalsContact N-O 3.14Å; I180-L265 HydrophobicContact CB-CD2 3.97Å; I180-L265 HydrophobicContact CG2-CD2 4.26Å; I180-P266 WeakPolarHBondContact O-CD 3.46Å; I180-P266 WeakPolarHBondContact O-CG 3.25Å
181	L	48.8	Very low	44.1	Very low	20 Å²	20	62 Å²	62	11%	0.105	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.2	-175.6	-69.3	164.1	0	0	0	108.6	L146 T169 L170 V172 L179 P266	L146-L181 HydrophobicContact CD2-CD2 4.03Å; T169-L181 CarbonylContact C-O 3.49Å; L170-L181 HydrophobicContact CB-CB 4Å; L170-L181 HydrophobicContact CD2-CB 4.18Å; L170-L181 HydrophobicContact CD2-CD1 3.6Å; L170-L181 HydrophobicContact CG-CB 4.33Å; L170-L181 HydrophobicContact CG-CD1 4.26Å; L170-L181 PolarHBondContact N-O 3.31Å; L170-L181 PolarHBondContact O-N 3.36Å; V172-L181 HydrophobicContact CG2-CD1 4.5Å; L179-L181 HydrophobicContact CD2-CD1 4.05Å; L179-L181 HydrophobicContact CD2-CD2 4.4Å; L179-L181 HydrophobicContact CD2-CG 4.18Å; L179-L181 HydrophobicContact CG-CG 4.49Å; L181-P266 HydrophobicContact CD2-CG 4.34Å
182	N	48.5	Very low	43	Very low	120 Å²	120	66.2 Å²	66.2	64%	0.642	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.3	174.8	-160.8	-5.6	0	0	0	109.6	R168	R168-N182 VanDerWaalsContact CB-OD1 3.32Å; R168-N182 WeakPolarHBondContact CB-OD1 3.29Å; R168-N182 CarbonylContact O-C 3.6Å; R168-N182 PolarHBondContact O-OD1 2.97Å
183	L	49	Very low	41.6	Very low	20 Å²	20	75 Å²	75	11%	0.105	39%	0.391	C	S	.	.			trans	-91	121.3	-176.1	-61.7	174.4	0	0	0	109.9	L113 I129 R168 L170 P185 W188	L113-L183 HydrophobicContact CD2-CD1 4.11Å; I129-L183 HydrophobicContact CD1-CD1 4.34Å; I129-L183 HydrophobicContact CD1-CD2 4.37Å; R168-L183 VanDerWaalsContact CB-O 3.26Å; R168-L183 WeakPolarHBondContact CB-O 3.33Å; R168-L183 WeakPolarHBondContact CG-O 3.38Å; R168-L183 WeakPolarHBondContact O-CA 3.33Å; R168-L183 VanDerWaalsContact O-CB 3.28Å; R168-L183 WeakPolarHBondContact O-CB 3.29Å; R168-L183 PolarHBondContact O-N 3.26Å; L170-L183 HydrophobicContact CB-CD1 4.11Å; L170-L183 HydrophobicContact CB-CG 4.32Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-W188 HydrophobicContact CB-CH2 3.55Å; L183-W188 HydrophobicContact CB-CZ2 3.69Å; L183-W188 HydrophobicContact CD1-CH2 4.23Å; L183-W188 HydrophobicContact CD1-CZ2 4.5Å; L183-W188 HydrophobicContact CD2-CZ2 4.36Å; L183-W188 HydrophobicContact CG-CH2 4.41Å; L183-W188 HydrophobicContact CG-CZ2 4.41Å
184	N	47.7	Very low	40.4	Very low	74 Å²	74	83.9 Å²	83.9	40%	0.396	43%	0.431	S	S	.	.			trans	-94.2	106.7	178.6	-174.2	-4.3	0	0	0	111.4	F186 Q187	N184-F186 PolarHBondContact O-N 3.32Å; N184-F186 VanDerWaalsContact O-N 3.15Å; N184-F186 WeakPolarHBondContact OD1-CB 3.14Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.27Å; N184-F186 PolarHBondContact OD1-N 3.34Å; N184-F186 VanDerWaalsContact OD1-N 3.14Å; N184-Q187 PolarHBondContact O-N 3.47Å; N184-Q187 VanDerWaalsContact O-N 3.13Å
185	P	38.3	Very low	39	Very low	30 Å²	30	89.5 Å²	89.5	20%	0.195	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-66.9	-16.8	-176.9	24.4	-32.4	0	0	0	115	R168 L183 Q187 W188	R168-P185 HydrophobicContact CG-CG 4.33Å; R168-P185 VanDerWaalsContact NE-CD 3.31Å; R168-P185 VanDerWaalsContact NE-CG 3.33Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-Q187 PolarHBondContact O-N 3.14Å; P185-W188 HydrophobicContact CB-CD2 4.35Å; P185-W188 HydrophobicContact CB-CE3 3.52Å; P185-W188 HydrophobicContact CB-CH2 4.42Å; P185-W188 HydrophobicContact CB-CZ3 3.55Å; P185-W188 WeakPolarHBondContact O-CB 3.45Å; P185-W188 PolarHBondContact O-N 3.22Å
186	F	36.3	Very low	37.6	Very low	138 Å²	138	93.2 Å²	93.2	61%	0.605	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17	174.8	-70.3	-75.1	0	0	0	113.1	N184 W188	N184-F186 PolarHBondContact O-N 3.32Å; N184-F186 VanDerWaalsContact O-N 3.15Å; N184-F186 WeakPolarHBondContact OD1-CB 3.14Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.27Å; N184-F186 PolarHBondContact OD1-N 3.34Å; N184-F186 VanDerWaalsContact OD1-N 3.14Å; F186-W188 PolarHBondContact O-N 3.47Å
187	Q	38.9	Very low	36.5	Very low	154 Å²	154	97.3 Å²	97.3	72%	0.72	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-75.3	-8.4	170.2	-71.3	-176.3	-21	0	0	113.1	N184 P185	N184-Q187 PolarHBondContact O-N 3.47Å; N184-Q187 VanDerWaalsContact O-N 3.13Å; P185-Q187 PolarHBondContact O-N 3.14Å
188	W	40.6	Very low	35.5	Very low	98 Å²	98	102.6 Å²	102.6	37%	0.371	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-104.8	13.4	-172.4	-50.2	-31.5	0	0	0	114.3	L183 P185 F186 V190	L183-W188 HydrophobicContact CB-CH2 3.55Å; L183-W188 HydrophobicContact CB-CZ2 3.69Å; L183-W188 HydrophobicContact CD1-CH2 4.23Å; L183-W188 HydrophobicContact CD1-CZ2 4.5Å; L183-W188 HydrophobicContact CD2-CZ2 4.36Å; L183-W188 HydrophobicContact CG-CH2 4.41Å; L183-W188 HydrophobicContact CG-CZ2 4.41Å; P185-W188 HydrophobicContact CB-CD2 4.35Å; P185-W188 HydrophobicContact CB-CE3 3.52Å; P185-W188 HydrophobicContact CB-CH2 4.42Å; P185-W188 HydrophobicContact CB-CZ3 3.55Å; P185-W188 WeakPolarHBondContact O-CB 3.45Å; P185-W188 PolarHBondContact O-N 3.22Å; F186-W188 PolarHBondContact O-N 3.47Å; W188-V190 HydrophobicContact CB-CG2 4.49Å; W188-V190 PolarHBondContact O-N 2.94Å
189	G	29.6	Very low	34.2	Very low	67 Å²	67	109.9 Å²	109.9	69%	0.691	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.3	12.4	172.7	0	0	0	0	0	115.7	K191	G189-K191 PolarHBondContact O-N 3.33Å; G189-K191 VanDerWaalsContact O-N 3.14Å
190	V	29	Very low	33	Very low	103 Å²	103	113.7 Å²	113.7	62%	0.624	63%	0.625	S	S	*	*			trans	-71.8	107.7	176.5	-175.5	0	0	0	0	108.7	W188 S192	W188-V190 HydrophobicContact CB-CG2 4.49Å; W188-V190 PolarHBondContact O-N 2.94Å; V190-S192 PolarHBondContact O-N 2.9Å
191	K	25.9	Very low	31.9	Very low	201 Å²	201	120.3 Å²	120.3	87%	0.874	66%	0.656	S	S	*	*			trans	-62.6	125.6	-178.1	-74.3	-175.7	176.7	-179.7	0	110.5	G189 E193	G189-K191 PolarHBondContact O-N 3.33Å; G189-K191 VanDerWaalsContact O-N 3.14Å; K191-E193 PolarHBondContact O-N 3.26Å
192	S	26.4	Very low	30.7	Very low	93 Å²	93	123.9 Å²	123.9	65%	0.65	67%	0.674	S	S	*	*			trans	-69.7	103.2	-178.5	57.5	0	0	0	0	111.1	V190	V190-S192 PolarHBondContact O-N 2.9Å
193	E	23.1	Very low	29.7	Very low	185 Å²	185	122 Å²	122	86%	0.864	66%	0.663	S	S	*	*	S	Bend	trans	-163.6	117	156.5	-104.8	158.9	-132.8	0	0	105.7	K191	K191-E193 PolarHBondContact O-N 3.26Å
194	Q	24	Very low	28.7	Very low	197 Å²	197	123.8 Å²	123.8	92%	0.921	67%	0.673	S	S	*	*			trans	84.8	68.1	-174.1	-49	-177	-5.5	0	0	117.1
195	C	23.6	Very low	27.9	Very low	133 Å²	133	123.2 Å²	123.2	90%	0.899	67%	0.67	S	S	*	*			trans	-131.7	106.2	144.9	-102.7	0	0	0	0	108	Q197	C195-Q197 PolarHBondContact O-N 3.11Å
196	L	21.2	Very low	27.6	Very low	180 Å²	180	127.2 Å²	127.2	94%	0.942	69%	0.689	S	S	*	*			trans	-65.3	122.4	165.5	-84.9	157	0	0	0	108
197	Q	21.7	Very low	27.6	Very low	186 Å²	186	125 Å²	125	87%	0.869	68%	0.679	S	S	*	*			trans	-53.3	133	173.1	-109.9	168.8	-38.3	0	0	111.1	C195	C195-Q197 PolarHBondContact O-N 3.11Å
198	S	24.4	Very low	27.3	Very low	117 Å²	117	126 Å²	126	82%	0.818	68%	0.684	S	S	*	*			trans	-127	125.1	158.7	171.5	0	0	0	0	107.3
199	D	23	Very low	27.1	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	70%	0.697	S	S	*	*			trans	-65.3	144.8	175.1	-62.7	-47.3	0	0	0	112.3
200	G	24.1	Very low	28.1	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	69%	0.694	S	S	*	*			trans	159.6	109	166	0	0	0	0	0	114.5
201	E	25.9	Very low	28.4	Very low	176 Å²	176	128.3 Å²	128.3	82%	0.822	70%	0.698	S	S	*	*			trans	-81.8	155.2	173.6	-69.5	-175.9	136.7	0	0	113.7
202	I	24.5	Very low	28.8	Very low	94 Å²	94	122.2 Å²	122.2	48%	0.482	67%	0.673	S	S	.	*			trans	-145.2	131.8	147.3	-59.5	-175.5	0	0	0	109.4	V245 V246	I202-V245 HydrophobicContact CG2-CG1 4.14Å; I202-V246 WeakPolarHBondContact CD1-O 3.43Å
203	L	25.8	Very low	29.2	Very low	80 Å²	80	121.6 Å²	121.6	42%	0.419	66%	0.662	S	S	.	*			trans	-118.9	147.3	173.5	-66.5	179.8	0	0	0	111.8	L205 F207	L203-L205 HydrophobicContact CD1-CD1 3.71Å; L203-L205 HydrophobicContact CD1-CG 4.5Å; L203-L205 HydrophobicContact CD2-CD1 3.06Å; L203-L205 HydrophobicContact CD2-CG 3.67Å; L203-L205 HydrophobicContact CG-CD1 3.91Å; L203-L205 HydrophobicContact CG-CG 4.46Å; L203-F207 HydrophobicContact CD1-CZ 4.3Å
204	D	28.7	Very low	29.9	Very low	58 Å²	58	115.4 Å²	115.4	31%	0.31	63%	0.634	S	S	.	*				-118.5	145	117	-77.4	-42.9	0	0	0	104.8	L265	D204-L265 VanDerWaalsContact C-CD1 3.45Å; D204-L265 HydrophobicContact CB-CD1 3.9Å; D204-L265 WeakPolarHBondContact O-CD1 3.3Å
205	L	31.1	Very low	30.5	Very low	63 Å²	63	109.4 Å²	109.4	33%	0.33	61%	0.608	S	S	.	*			trans	-149.9	140.5	-177	-93.7	171.1	0	0	0	110.5	L203 F207	L203-L205 HydrophobicContact CD1-CD1 3.71Å; L203-L205 HydrophobicContact CD1-CG 4.5Å; L203-L205 HydrophobicContact CD2-CD1 3.06Å; L203-L205 HydrophobicContact CD2-CG 3.67Å; L203-L205 HydrophobicContact CG-CD1 3.91Å; L203-L205 HydrophobicContact CG-CG 4.46Å; L205-F207 HydrophobicContact CB-CD1 4.49Å; L205-F207 HydrophobicContact CB-CD2 3.71Å; L205-F207 HydrophobicContact CB-CE1 4Å; L205-F207 HydrophobicContact CB-CE2 3.13Å; L205-F207 HydrophobicContact CB-CG 4.4Å; L205-F207 HydrophobicContact CB-CZ 3.34Å; L205-F207 HydrophobicContact CD1-CE1 3.43Å; L205-F207 VanDerWaalsContact CD1-CE1 3.43Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å; L205-F207 HydrophobicContact CD1-CZ 3.04Å; L205-F207 HydrophobicContact CD2-CE1 4.35Å; L205-F207 HydrophobicContact CD2-CZ 4.41Å; L205-F207 HydrophobicContact CG-CE1 4.12Å; L205-F207 HydrophobicContact CG-CE2 4.04Å; L205-F207 HydrophobicContact CG-CZ 3.7Å
206	L	31.3	Very low	31.1	Very low	113 Å²	113	105.4 Å²	105.4	59%	0.592	58%	0.577	S	S	*	*			trans	-97.3	123	164.1	-171.8	82.3	0	0	0	106.7	L213 L215	L206-L213 HydrophobicContact CD1-CD2 3.93Å; L206-L215 HydrophobicContact CD1-CD1 3.79Å
207	F	37.8	Very low	31.9	Very low	91 Å²	91	101.7 Å²	101.7	40%	0.399	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121	144.1	-179.9	-59.6	-86.4	0	0	0	111.3	L203 L205 I214	L203-F207 HydrophobicContact CD1-CZ 4.3Å; L205-F207 HydrophobicContact CB-CD1 4.49Å; L205-F207 HydrophobicContact CB-CD2 3.71Å; L205-F207 HydrophobicContact CB-CE1 4Å; L205-F207 HydrophobicContact CB-CE2 3.13Å; L205-F207 HydrophobicContact CB-CG 4.4Å; L205-F207 HydrophobicContact CB-CZ 3.34Å; L205-F207 HydrophobicContact CD1-CE1 3.43Å; L205-F207 VanDerWaalsContact CD1-CE1 3.43Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å; L205-F207 HydrophobicContact CD1-CZ 3.04Å; L205-F207 HydrophobicContact CD2-CE1 4.35Å; L205-F207 HydrophobicContact CD2-CZ 4.41Å; L205-F207 HydrophobicContact CG-CE1 4.12Å; L205-F207 HydrophobicContact CG-CE2 4.04Å; L205-F207 HydrophobicContact CG-CZ 3.7Å; F207-I214 PolarHBondContact O-N 2.87Å
208	E	31.2	Very low	32.5	Very low	175 Å²	175	98.3 Å²	98.3	82%	0.818	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.9	167.3	-172.4	176.1	-172.4	0	0	106.3
209	D	37.7	Very low	32.9	Very low	124 Å²	124	97.9 Å²	97.9	66%	0.663	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	104.3	175.1	-178.2	31.3	0	0	0	108.3	D211 H212	D209-D211 PolarHBondContact O-N 3.47Å; D209-H212 PolarHBondContact N-O 3.1Å; D209-H212 PolarHBondContact O-N 3.01Å
210	G	49	Very low	33.7	Very low	60 Å²	60	92.7 Å²	92.7	62%	0.619	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	-131.8	-168.9	0	0	0	0	0	112.2	H212	G210-H212 PolarHBondContact O-N 2.84Å
211	D	35.9	Very low	34.1	Very low	134 Å²	134	96 Å²	96	72%	0.717	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	18.3	-179.8	-62.2	-37.8	0	0	0	113.8	D209	D209-D211 PolarHBondContact O-N 3.47Å
212	H	35.3	Very low	34.5	Very low	72 Å²	72	93.3 Å²	93.3	33%	0.333	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.3	-171.9	-62.2	-30.1	0	0	0	113.5	D209 G210 R229	D209-H212 PolarHBondContact N-O 3.1Å; D209-H212 PolarHBondContact O-N 3.01Å; G210-H212 PolarHBondContact O-N 2.84Å; H212-R229 PolarHBondContact ND1-O 3.2Å
213	L	33.3	Very low	34.7	Very low	81 Å²	81	91.2 Å²	91.2	42%	0.424	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.4	-179.1	-137.2	149.2	0	0	0	108.7	L206	L206-L213 HydrophobicContact CD1-CD2 3.93Å
214	I	37.6	Very low	35.2	Very low	55 Å²	55	89.9 Å²	89.9	28%	0.282	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.6	-175.2	-56.2	176	0	0	0	109.4	F207	F207-I214 PolarHBondContact O-N 2.87Å
215	L	37.2	Very low	35.5	Very low	70 Å²	70	91.8 Å²	91.8	37%	0.366	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.6	179.5	-170.1	81.1	0	0	0	110.8	L206	L206-L215 HydrophobicContact CD1-CD1 3.79Å
216	L	36.1	Very low	35.8	Very low	49 Å²	49	92.7 Å²	92.7	26%	0.257	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118	172.1	-76.9	156.1	0	0	0	109.5	L224	L216-L224 HydrophobicContact CD2-CD2 4.39Å
217	Q	37.6	Very low	36.3	Very low	102 Å²	102	88.8 Å²	88.8	48%	0.477	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.7	178.8	-167.6	-179.3	23.9	0	0	111.5
218	R	35.7	Very low	36.5	Very low	115 Å²	115	90.1 Å²	90.1	43%	0.434	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.3	178.4	-175	179	-178.7	-168.2	-0	111.4	Y258	R218-Y258 PolarHBondContact NH2-OH 3.19Å; R218-Y258 VanDerWaalsContact NH2-OH 3.07Å
219	L	31.8	Very low	37.3	Very low	108 Å²	108	85 Å²	85	57%	0.565	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	104.8	172.6	-97.7	154	0	0	0	110.9
220	G	40.1	Very low	37.6	Very low	46 Å²	46	81.2 Å²	81.2	47%	0.474	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-153.6	174.6	0	0	0	0	0	115
221	H	33.1	Very low	37.4	Very low	149 Å²	149	83.4 Å²	83.4	69%	0.69	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	-167	-76.4	-82.8	0	0	0	115.9	Y258	H221-Y258 AromaticContact CE1-CE1 3.36Å; H221-Y258 WeakPolarHBondContact CE1-CE1 3.35Å; H221-Y258 AromaticContact CE1-CZ 3.27Å; H221-Y258 PolarHBondContact CE1-OH 3.2Å; H221-Y258 VanDerWaalsContact CE1-OH 3.26Å; H221-Y258 AromaticContact ND1-CE1 3.75Å; H221-Y258 AromaticContact ND1-CZ 3.38Å; H221-Y258 PolarHBondContact ND1-OH 2.85Å; H221-Y258 AromaticContact NE2-CE1 3.74Å
222	V	33.8	Very low	37.6	Very low	120 Å²	120	81.7 Å²	81.7	73%	0.727	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.8	-13	-169.1	-169.2	0	0	0	0	118.4
223	A	29.5	Very low	37.9	Very low	50 Å²	50	87 Å²	87	41%	0.413	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.8	-173.9	0	0	0	0	0	116.1
224	L	35	Very low	38.2	Very low	52 Å²	52	88.9 Å²	88.9	27%	0.272	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.7	161.2	-74.8	164.9	0	0	0	108.8	L216 F243 V245	L216-L224 HydrophobicContact CD2-CD2 4.39Å; L224-F243 HydrophobicContact CD1-CB 4.09Å; L224-V245 HydrophobicContact CD1-CG2 4.09Å
225	R	35.9	Very low	38.2	Very low	99 Å²	99	91.7 Å²	91.7	37%	0.374	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	171.1	-75.6	-178.7	175.2	-148.3	-17.9	110.4	F227 E238	R225-F227 HydrophobicContact CB-CD2 4.29Å; R225-F227 HydrophobicContact CB-CE2 3.56Å; R225-F227 HydrophobicContact CB-CZ 3.86Å; R225-E238 WeakPolarHBondContact CD-OE1 3.42Å; R225-E238 HydrophobicContact CG-CG 4.36Å; R225-E238 IonicContact CZ-OE1 3.68Å; R225-E238 IonicContact CZ-OE2 2.65Å; R225-E238 IonicContact NE-OE1 3.5Å; R225-E238 PolarHBondContact NE-OE1 3.36Å; R225-E238 IonicContact NE-OE2 3.18Å; R225-E238 IonicContact NH1-OE1 3.12Å; R225-E238 PolarHBondContact NH1-OE1 2.97Å; R225-E238 IonicContact NH1-OE2 2.67Å; R225-E238 PolarHBondContact NH1-OE2 3.03Å; R225-E238 VanDerWaalsContact NH2-CD 3.35Å; R225-E238 IonicContact NH2-OE1 2.74Å; R225-E238 PolarHBondContact NH2-OE1 2.93Å; R225-E238 IonicContact NH2-OE2 2.73Å; R225-E238 PolarHBondContact NH2-OE2 3.34Å; R225-E238 VanDerWaalsContact NH2-OE2 3.12Å
226	L	36.7	Very low	38.3	Very low	82 Å²	82	92.6 Å²	92.6	43%	0.429	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.1	174.2	-139.4	117.7	0	0	0	108.5	Y239	L226-Y239 PolarHBondContact O-N 2.74Å
227	F	41.2	Very low	38.2	Very low	31 Å²	31	97.7 Å²	97.7	14%	0.136	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.1	178	-67.8	-78.5	0	0	0	110	R225 F236 E238	R225-F227 HydrophobicContact CB-CD2 4.29Å; R225-F227 HydrophobicContact CB-CE2 3.56Å; R225-F227 HydrophobicContact CB-CZ 3.86Å; F227-F236 HydrophobicContact CB-CB 4.01Å; F227-F236 HydrophobicContact CB-CD1 3.64Å; F227-F236 HydrophobicContact CB-CE1 4.41Å; F227-F236 HydrophobicContact CB-CG 4.09Å; F227-F236 HydrophobicContact CD1-CB 3.83Å; F227-F236 HydrophobicContact CG-CB 4.26Å; F227-E238 HydrophobicContact CE1-CB 4.3Å
228	K	42	Very low	38.2	Very low	118 Å²	118	96.8 Å²	96.8	51%	0.513	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.6	175.7	-173.8	179.2	179.1	-177.5	0	110	E237	K228-E237 PolarHBondContact N-O 2.87Å; K228-E237 PolarHBondContact O-N 2.83Å
229	R	48.6	Very low	38.3	Very low	69 Å²	69	99.2 Å²	99.2	26%	0.26	51%	0.514	S	S	.	.			trans	-133.9	128.3	169.9	-167.3	-179.7	-161.2	-162.3	1.1	109.9	H212 N231 S232 E234 F236	H212-R229 PolarHBondContact ND1-O 3.2Å; R229-N231 WeakPolarHBondContact CD-O 3.42Å; R229-N231 WeakPolarHBondContact CG-O 3.29Å; R229-N231 PolarHBondContact NE-O 3.33Å; R229-S232 VanDerWaalsContact CZ-O 3.28Å; R229-S232 PolarHBondContact NH1-O 3.47Å; R229-S232 PolarHBondContact NH2-O 3.26Å; R229-E234 PolarHBondContact NE-O 2.96Å; R229-E234 PolarHBondContact NH2-O 2.96Å; R229-E234 VanDerWaalsContact NH2-O 3.09Å; R229-F236 HydrophobicContact CB-CD1 3.87Å; R229-F236 HydrophobicContact CB-CE1 3.74Å; R229-F236 HydrophobicContact CB-CZ 4.43Å
230	A	43.6	Very low	38.2	Very low	43 Å²	43	99 Å²	99	36%	0.355	52%	0.517	S	S	.	.	S	Bend	trans	-83.9	-30.6	-178.4	0	0	0	0	0	113.5
231	N	46.5	Very low	37.6	Very low	107 Å²	107	103.8 Å²	103.8	57%	0.572	53%	0.532	S	S	*	.	S	Bend	trans	-161.4	165.7	179.6	-83.9	-35	0	0	0	112	R229 E233 E234	R229-N231 WeakPolarHBondContact CD-O 3.42Å; R229-N231 WeakPolarHBondContact CG-O 3.29Å; R229-N231 PolarHBondContact NE-O 3.33Å; N231-E233 PolarHBondContact O-N 3.19Å; N231-E234 PolarHBondContact O-N 2.96Å
232	S	39.5	Very low	37.3	Very low	98 Å²	98	104 Å²	104	69%	0.685	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	2.1	-171.4	62.9	0	0	0	0	117.2	R229	R229-S232 VanDerWaalsContact CZ-O 3.28Å; R229-S232 PolarHBondContact NH1-O 3.47Å; R229-S232 PolarHBondContact NH2-O 3.26Å
233	E	41.5	Very low	36.9	Very low	182 Å²	182	106 Å²	106	85%	0.85	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-9.5	-177.1	-62.4	-164.8	165.4	0	0	115.3	N231	N231-E233 PolarHBondContact O-N 3.19Å
234	E	38.9	Very low	36.7	Very low	121 Å²	121	107 Å²	107	57%	0.565	54%	0.541	S	S	*	.	S	Bend	trans	-103.5	152.7	-177.8	-71.4	-172.4	167	0	0	113.7	R229 N231	R229-E234 PolarHBondContact NE-O 2.96Å; R229-E234 PolarHBondContact NH2-O 2.96Å; R229-E234 VanDerWaalsContact NH2-O 3.09Å; N231-E234 PolarHBondContact O-N 2.96Å
235	P	37.7	Very low	36.4	Very low	115 Å²	115	108.9 Å²	108.9	75%	0.747	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-73.5	155	177.1	30.1	-33.4	0	0	0	112.2
236	F	39.7	Very low	36	Very low	89 Å²	89	107.3 Å²	107.3	39%	0.39	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-70.4	133.2	177.9	-71.7	-82.4	0	0	0	112	F227 R229	F227-F236 HydrophobicContact CB-CB 4.01Å; F227-F236 HydrophobicContact CB-CD1 3.64Å; F227-F236 HydrophobicContact CB-CE1 4.41Å; F227-F236 HydrophobicContact CB-CG 4.09Å; F227-F236 HydrophobicContact CD1-CB 3.83Å; F227-F236 HydrophobicContact CG-CB 4.26Å; R229-F236 HydrophobicContact CB-CD1 3.87Å; R229-F236 HydrophobicContact CB-CE1 3.74Å; R229-F236 HydrophobicContact CB-CZ 4.43Å
237	E	34.8	Very low	35.8	Very low	156 Å²	156	106.1 Å²	106.1	73%	0.729	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103	140.2	170.7	-71	-170.8	159.2	0	0	111.6	K228	K228-E237 PolarHBondContact N-O 2.87Å; K228-E237 PolarHBondContact O-N 2.83Å
238	E	37.5	Very low	35.4	Very low	83 Å²	83	112 Å²	112	39%	0.388	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86	123.9	-173.5	-177	179.3	168.2	0	0	111.8	R225 F227 T240	R225-E238 WeakPolarHBondContact CD-OE1 3.42Å; R225-E238 HydrophobicContact CG-CG 4.36Å; R225-E238 IonicContact CZ-OE1 3.68Å; R225-E238 IonicContact CZ-OE2 2.65Å; R225-E238 IonicContact NE-OE1 3.5Å; R225-E238 PolarHBondContact NE-OE1 3.36Å; R225-E238 IonicContact NE-OE2 3.18Å; R225-E238 IonicContact NH1-OE1 3.12Å; R225-E238 PolarHBondContact NH1-OE1 2.97Å; R225-E238 IonicContact NH1-OE2 2.67Å; R225-E238 PolarHBondContact NH1-OE2 3.03Å; R225-E238 VanDerWaalsContact NH2-CD 3.35Å; R225-E238 IonicContact NH2-OE1 2.74Å; R225-E238 PolarHBondContact NH2-OE1 2.93Å; R225-E238 IonicContact NH2-OE2 2.73Å; R225-E238 PolarHBondContact NH2-OE2 3.34Å; R225-E238 VanDerWaalsContact NH2-OE2 3.12Å; F227-E238 HydrophobicContact CE1-CB 4.3Å; E238-T240 HydrophobicContact CG-CG2 4.44Å
239	Y	37.1	Very low	35.1	Very low	166 Å²	166	108.6 Å²	108.6	65%	0.651	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.5	119.4	172.5	-135.3	-96.8	0	0	0	109.9	L226	L226-Y239 PolarHBondContact O-N 2.74Å
240	T	29	Very low	34.6	Very low	103 Å²	103	107.6 Å²	107.6	63%	0.632	58%	0.583	S	S	*	*			trans	-100	102.3	-177.5	53.6	0	0	0	0	111	E238	E238-T240 HydrophobicContact CG-CG2 4.44Å
241	D	28.2	Very low	34.6	Very low	147 Å²	147	109.4 Å²	109.4	79%	0.786	59%	0.593	S	S	*	*			trans	-162.4	133.6	151.7	-90.7	-30.7	0	0	0	109.7
242	D	25.9	Very low	34.4	Very low	152 Å²	152	106.2 Å²	106.2	81%	0.813	58%	0.581	S	S	*	*			trans	-65.1	129.1	-160	-69.4	-45.6	0	0	0	117.2
243	F	26.3	Very low	34.4	Very low	163 Å²	163	102.6 Å²	102.6	72%	0.715	55%	0.554	S	S	*	*			trans	-139.7	144.2	163.1	-89.3	-87.9	0	0	0	113.4	L224	L224-F243 HydrophobicContact CD1-CB 4.09Å
244	S	25.1	Very low	34.6	Very low	72 Å²	72	100.2 Å²	100.2	50%	0.503	54%	0.537	S	S	.	.			trans	-132.3	141.6	178	62.8	0	0	0	0	112
245	V	29.5	Very low	34.9	Very low	90 Å²	90	97.9 Å²	97.9	55%	0.545	53%	0.529	S	S	.	.			trans	-117.4	140.4	-176.3	176.9	0	0	0	0	111.7	I202 L224	I202-V245 HydrophobicContact CG2-CG1 4.14Å; L224-V245 HydrophobicContact CD1-CG2 4.09Å
246	V	27.4	Very low	35.2	Very low	67 Å²	67	93.4 Å²	93.4	41%	0.406	50%	0.501	S	S	.	.			trans	-112.4	128.3	-179.8	176.2	0	0	0	0	110.1	I202	I202-V246 WeakPolarHBondContact CD1-O 3.43Å
247	V	32.8	Very low	35.3	Very low	56 Å²	56	90.6 Å²	90.6	34%	0.339	49%	0.49	S	S	.	.			trans	-95.5	129.4	172.6	-174.4	0	0	0	0	109.4	G249 L253	V247-G249 VanDerWaalsContact C-N 3.27Å; V247-G249 PolarHBondContact O-N 3.06Å; V247-L253 HydrophobicContact CG1-CD2 4.27Å
248	N	32.1	Very low	35.7	Very low	156 Å²	156	87 Å²	87	83%	0.834	47%	0.471	S	S	*	.			trans	-66.3	70.4	-172.6	-85.6	-24.1	0	0	0	114.4	D250	N248-D250 PolarHBondContact O-N 2.92Å
249	G	35.2	Very low	36	Very low	46 Å²	46	90.9 Å²	90.9	47%	0.474	49%	0.489	S	S	.	.	S	Bend	trans	77.5	5.8	155.6	0	0	0	0	0	118.3	V247	V247-G249 VanDerWaalsContact C-N 3.27Å; V247-G249 PolarHBondContact O-N 3.06Å
250	D	37.9	Very low	36	Very low	47 Å²	47	84 Å²	84	25%	0.251	47%	0.465	S	S	.	.			trans	-92.3	96	169.9	-167.3	-28.8	0	0	0	109.6	N248 A252 L253 R254	N248-D250 PolarHBondContact O-N 2.92Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 3.28Å; D250-A252 PolarHBondContact OD1-N 2.67Å; D250-A252 VanDerWaalsContact OD1-N 3.15Å; D250-L253 HydrophobicContact CB-CB 4.01Å; D250-L253 PolarHBondContact O-N 3.34Å; D250-L253 PolarHBondContact OD1-N 2.92Å; D250-L253 VanDerWaalsContact OD1-N 3.13Å; D250-R254 PolarHBondContact O-N 3.38Å; D250-R254 VanDerWaalsContact O-N 3.09Å
251	S	43.7	Very low	36.2	Very low	81 Å²	81	83.8 Å²	83.8	57%	0.566	46%	0.464	S	S	*	.	H	α-helix	trans	-64	-32.5	-178.8	53.8	0	0	0	0	112.4	R254 D255	S251-R254 WeakPolarHBondContact O-CB 3.47Å; S251-R254 PolarHBondContact O-N 2.89Å; S251-D255 WeakPolarHBondContact O-CB 3.29Å; S251-D255 PolarHBondContact O-N 3.37Å
252	A	42	Very low	36.3	Very low	40 Å²	40	84 Å²	84	33%	0.331	45%	0.454	S	S	.	.	H	α-helix	trans	-71.5	-36.9	-180	0	0	0	0	0	111.8	F164 D250 D255 A256	F164-A252 HydrophobicContact CE1-CB 3.91Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 3.28Å; D250-A252 PolarHBondContact OD1-N 2.67Å; D250-A252 VanDerWaalsContact OD1-N 3.15Å; A252-D255 PolarHBondContact O-N 2.91Å; A252-A256 WeakPolarHBondContact O-CB 3.39Å; A252-A256 PolarHBondContact O-N 2.9Å
253	L	41.1	Very low	36.8	Very low	23 Å²	23	79.4 Å²	79.4	12%	0.12	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-39.8	171.1	-179	65.2	0	0	0	111.3	F164 A171 V247 D250 D255 A256 L257	F164-L253 HydrophobicContact CB-CD1 3.84Å; F164-L253 HydrophobicContact CD1-CB 4.08Å; F164-L253 HydrophobicContact CD1-CD1 4.33Å; F164-L253 HydrophobicContact CD2-CD1 3.99Å; F164-L253 HydrophobicContact CG-CB 4.38Å; F164-L253 HydrophobicContact CG-CD1 3.8Å; A171-L253 HydrophobicContact CB-CD1 3.79Å; V247-L253 HydrophobicContact CG1-CD2 4.27Å; D250-L253 HydrophobicContact CB-CB 4.01Å; D250-L253 PolarHBondContact O-N 3.34Å; D250-L253 PolarHBondContact OD1-N 2.92Å; D250-L253 VanDerWaalsContact OD1-N 3.13Å; L253-D255 VanDerWaalsContact C-N 3.33Å; L253-D255 PolarHBondContact O-N 2.86Å; L253-A256 PolarHBondContact O-N 2.68Å; L253-L257 HydrophobicContact CD1-CD1 4.33Å; L253-L257 HydrophobicContact CG-CD1 4.02Å; L253-L257 WeakPolarHBondContact O-CB 3.47Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 3.28Å
254	R	45.4	Very low	37.3	Very low	131 Å²	131	74.1 Å²	74.1	49%	0.494	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.2	-161.8	-170	78.2	169.4	4.6	111.2	D250 S251 L257 Y258	D250-R254 PolarHBondContact O-N 3.38Å; D250-R254 VanDerWaalsContact O-N 3.09Å; S251-R254 WeakPolarHBondContact O-CB 3.47Å; S251-R254 PolarHBondContact O-N 2.89Å; R254-L257 PolarHBondContact O-N 2.84Å; R254-Y258 HydrophobicContact CG-CD2 4.09Å; R254-Y258 HydrophobicContact CG-CE2 4.05Å; R254-Y258 VanDerWaalsContact O-CD2 3.24Å; R254-Y258 WeakPolarHBondContact O-CD2 3.32Å; R254-Y258 PolarHBondContact O-N 3.21Å
255	D	45.6	Very low	37.8	Very low	73 Å²	73	73.2 Å²	73.2	39%	0.39	40%	0.398	S	S	.	.	H	α-helix	trans	-71.3	-40.6	-178.9	-63.1	-18.6	0	0	0	111.1	S251 A252 L253 L257 Y258 E259	S251-D255 WeakPolarHBondContact O-CB 3.29Å; S251-D255 PolarHBondContact O-N 3.37Å; A252-D255 PolarHBondContact O-N 2.91Å; L253-D255 VanDerWaalsContact C-N 3.33Å; L253-D255 PolarHBondContact O-N 2.86Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.28Å; D255-Y258 WeakPolarHBondContact O-CB 3.31Å; D255-Y258 PolarHBondContact O-N 2.95Å; D255-E259 WeakPolarHBondContact O-CG 3.49Å; D255-E259 PolarHBondContact O-N 3.06Å
256	A	43	Very low	37.9	Very low	20 Å²	20	72.4 Å²	72.4	17%	0.165	40%	0.395	C	S	.	.	H	α-helix	trans	-61.9	-35.6	172.2	0	0	0	0	0	113.1	F164 A173 A252 L253 Y258 S260	F164-A256 HydrophobicContact CE2-CB 3.98Å; F164-A256 HydrophobicContact CZ-CB 3.85Å; A173-A256 HydrophobicContact CB-CB 4.22Å; A252-A256 WeakPolarHBondContact O-CB 3.39Å; A252-A256 PolarHBondContact O-N 2.9Å; L253-A256 PolarHBondContact O-N 2.68Å; A256-Y258 VanDerWaalsContact C-N 3.34Å; A256-S260 WeakPolarHBondContact O-CB 3.46Å; A256-S260 PolarHBondContact O-N 3Å; A256-S260 PolarHBondContact O-OG 3.09Å
257	L	41.8	Very low	37.9	Very low	31 Å²	31	75.2 Å²	75.2	16%	0.162	41%	0.407	C	S	.	.	H	α-helix	trans	-72.9	-22.5	172.7	-78.4	165.6	0	0	0	113.4	V178 L253 R254 D255 S260 V263	V178-L257 HydrophobicContact CB-CD2 4.47Å; V178-L257 HydrophobicContact CG1-CD2 4.44Å; V178-L257 HydrophobicContact CG2-CD2 4.42Å; L253-L257 HydrophobicContact CD1-CD1 4.33Å; L253-L257 HydrophobicContact CG-CD1 4.02Å; L253-L257 WeakPolarHBondContact O-CB 3.47Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 3.28Å; R254-L257 PolarHBondContact O-N 2.84Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.28Å; L257-S260 WeakPolarHBondContact CA-OG 3.29Å; L257-V263 HydrophobicContact CD2-CG2 4.11Å
258	Y	44	Very low	37.7	Very low	80 Å²	80	82.7 Å²	82.7	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-82.3	-29.3	174.9	-97.9	-72	0	0	0	112.4	R218 H221 R254 D255 A256	R218-Y258 PolarHBondContact NH2-OH 3.19Å; R218-Y258 VanDerWaalsContact NH2-OH 3.07Å; H221-Y258 AromaticContact CE1-CE1 3.36Å; H221-Y258 WeakPolarHBondContact CE1-CE1 3.35Å; H221-Y258 AromaticContact CE1-CZ 3.27Å; H221-Y258 PolarHBondContact CE1-OH 3.2Å; H221-Y258 VanDerWaalsContact CE1-OH 3.26Å; H221-Y258 AromaticContact ND1-CE1 3.75Å; H221-Y258 AromaticContact ND1-CZ 3.38Å; H221-Y258 PolarHBondContact ND1-OH 2.85Å; H221-Y258 AromaticContact NE2-CE1 3.74Å; R254-Y258 HydrophobicContact CG-CD2 4.09Å; R254-Y258 HydrophobicContact CG-CE2 4.05Å; R254-Y258 VanDerWaalsContact O-CD2 3.24Å; R254-Y258 WeakPolarHBondContact O-CD2 3.32Å; R254-Y258 PolarHBondContact O-N 3.21Å; D255-Y258 WeakPolarHBondContact O-CB 3.31Å; D255-Y258 PolarHBondContact O-N 2.95Å; A256-Y258 VanDerWaalsContact C-N 3.34Å
259	E	43.7	Very low	37.4	Very low	165 Å²	165	84.5 Å²	84.5	77%	0.771	43%	0.43	S	S	*	.	H	α-helix	trans	-86.6	-13.7	-179.6	-69.6	-177.1	171.5	0	0	113.9	D255	D255-E259 WeakPolarHBondContact O-CG 3.49Å; D255-E259 PolarHBondContact O-N 3.06Å
260	S	36.6	Very low	36.9	Very low	22 Å²	22	90.9 Å²	90.9	15%	0.154	45%	0.452	C	S	.	.			trans	-91.1	138.6	-176.1	35	0	0	0	0	112.9	V178 A256 L257	V178-S260 WeakPolarHBondContact CG2-OG 3.38Å; A256-S260 WeakPolarHBondContact O-CB 3.46Å; A256-S260 PolarHBondContact O-N 3Å; A256-S260 PolarHBondContact O-OG 3.09Å; L257-S260 WeakPolarHBondContact CA-OG 3.29Å
261	T	32.4	Very low	36.2	Very low	98 Å²	98	91.8 Å²	91.8	60%	0.601	47%	0.472	S	S	*	.	S	Bend	trans	-84.2	-18.8	-179.1	28.3	0	0	0	0	113.8	H176	H176-T261 PolarHBondContact O-N 3.11Å; H176-T261 PolarHBondContact O-OG1 2.9Å; H176-T261 VanDerWaalsContact O-OG1 3.06Å
262	Y	31.7	Very low	35.3	Very low	151 Å²	151	93 Å²	93	59%	0.592	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145	144.4	-178.4	-61.3	-86.6	0	0	0	112.3	H176 F177 V178	H176-Y262 PolarHBondContact O-N 3.4Å; F177-Y262 CarbonylContact C-O 3.4Å; F177-Y262 WeakPolarHBondContact CA-O 3.43Å; V178-Y262 PolarHBondContact N-O 3.46Å
263	V	36.2	Very low	34.5	Very low	55 Å²	55	99.4 Å²	99.4	33%	0.333	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.1	172.2	179.8	0	0	0	0	108.6	I180 L257	I180-V263 HydrophobicContact CD1-CG1 3.99Å; I180-V263 HydrophobicContact CG1-CG1 4.49Å; L257-V263 HydrophobicContact CD2-CG2 4.11Å
264	Q	35.6	Very low	33.8	Very low	52 Å²	52	102.6 Å²	102.6	24%	0.243	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	179	-102.6	-177.5	-25.6	0	0	111	L150 V178 L179 I180	L150-Q264 PolarHBondContact O-NE2 3.43Å; V178-Q264 PolarHBondContact O-N 2.62Å; L179-Q264 HydrophobicContact CD1-CB 4.42Å; I180-Q264 PolarHBondContact N-O 3.38Å; I180-Q264 VanDerWaalsContact N-O 3.14Å
265	L	35.4	Very low	32.8	Very low	53 Å²	53	103.3 Å²	103.3	28%	0.277	55%	0.552	S	S	.	*			trans	-115.4	157.1	-177.7	-69.2	136.9	0	0	0	111.4	I180 D204	I180-L265 HydrophobicContact CB-CD2 3.97Å; I180-L265 HydrophobicContact CG2-CD2 4.26Å; D204-L265 VanDerWaalsContact C-CD1 3.45Å; D204-L265 HydrophobicContact CB-CD1 3.9Å; D204-L265 WeakPolarHBondContact O-CD1 3.3Å
266	P	32.4	Very low	32	Very low	73 Å²	73	108 Å²	108	47%	0.474	58%	0.577	S	S	.	*			trans	-73.5	137.4	-169.6	-8.2	25.2	0	0	0	112.1	I180 L181	I180-P266 WeakPolarHBondContact O-CD 3.46Å; I180-P266 WeakPolarHBondContact O-CG 3.25Å; L181-P266 HydrophobicContact CD2-CG 4.34Å
267	L	26.7	Very low	31.3	Very low	127 Å²	127	110.1 Å²	110.1	67%	0.665	60%	0.601	S	S	*	*			trans	-86.3	131.8	174.4	-78.4	157.6	0	0	0	112.1	L150	L150-L267 HydrophobicContact CD2-CD1 3.88Å
268	R	29.3	Very low	30.4	Very low	213 Å²	213	117 Å²	117	80%	0.804	63%	0.632	S	S	*	*			trans	87.2	137.7	167.8	-62.3	-179.7	169.8	-180	-3.5	116.3
269	K	25.9	Very low	29.7	Very low	194 Å²	194	121.7 Å²	121.7	84%	0.843	65%	0.654	S	S	*	*			cis	-158.1	121	27.4	-141.9	178.1	-172.1	-174.1	0	109.7
270	L	24.7	Very low	28.7	Very low	180 Å²	180	122 Å²	122	94%	0.942	66%	0.656	S	S	*	*			trans	-106.6	99	159	-141.8	128.1	0	0	0	105.9
271	G	23.9	Very low	28.1	Very low	65 Å²	65	125.7 Å²	125.7	67%	0.67	68%	0.681	S	S	*	*			trans	-115.8	104.8	172.6	0	0	0	0	0	107.8
272	S	23.4	Very low	27.8	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	69%	0.691	S	S	*	*			trans	151.3	75.7	142.4	71.7	0	0	0	0	110.9
273	L	24.8	Very low	27.4	Very low	174 Å²	174	133.9 Å²	133.9	91%	0.911	71%	0.705	S	S	*	*			trans	-130.4	81.7	139.8	-89.5	163.5	0	0	0	104.5
274	A	26.7	Very low	26.9	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	73%	0.728	S	S	*	*			trans	-73.6	133.9	166.2	0	0	0	0	0	107.7
275	D	25.5	Very low	26.5	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	76%	0.758	S	S	*	*			trans	7.2	128.3	148.8	-75.6	-43.2	0	0	0	117.9
276	D	29	Very low	26.1	Very low	171 Å²	171	150.2 Å²	150.2	91%	0.914	78%	0.783	S	S	*	*				-153.3	104.7	117.4	-92.9	-30.8	0	0	0	110.3
277	G	26.7	Very low	25.8	Very low	65 Å²	65	153.3 Å²	153.3	67%	0.67	80%	0.795	S	S	*	*				70.9	102.7	124.3	0	0	0	0	0	120.4
278	E	24.5	Very low	25.8	Very low	175 Å²	175	158 Å²	158	82%	0.818	80%	0.804	S	S	*	*				21.3	114.9	124.7	-82.1	-168.6	161.4	0	0	119
279	K	27.5	Very low	25.7	Very low	179 Å²	179	155.4 Å²	155.4	78%	0.778	81%	0.806	S	S	*	*				166.1	125.8	111.2	-94.9	163.6	-172.2	175.3	0	114.7
280	E	24.6	Very low	25.9	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	81%	0.805	S	S	*	*			trans	30.5	115.9	134.8	-72.3	-171.9	137.4	0	0	122.1
281	S	23.8	Very low	26.3	Very low	99 Å²	99	148.7 Å²	148.7	69%	0.692	79%	0.79	S	S	*	*				83.8	137.8	124.6	100.3	0	0	0	0	121
282	K	25.8	Very low	26.9	Very low	183 Å²	183	150.1 Å²	150.1	80%	0.796	79%	0.79	S	S	*	*			trans	87.3	106.1	154.1	-68.5	173.4	-179.2	170.6	0	118.7
283	R	23.8	Very low	27.5	Very low	238 Å²	238	150.7 Å²	150.7	90%	0.898	79%	0.785	S	S	*	*				39.4	114.1	126.6	-72.3	178.4	173.1	172.5	-1.6	116
284	S	24.4	Very low	27.9	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	77%	0.77	S	S	*	*				170.5	142.1	87.1	51.9	0	0	0	0	112
285	R	27	Very low	28.2	Very low	232 Å²	232	145.3 Å²	145.3	88%	0.875	76%	0.755	S	S	*	*			trans	18.8	148.4	155.5	-75	178.3	172.8	174.9	-2.7	120.9
286	I	26.5	Very low	28.7	Very low	156 Å²	156	145.6 Å²	145.6	80%	0.8	75%	0.75	S	S	*	*			trans	102.2	124	171.6	-54.7	158	0	0	0	108.8
287	D	26.3	Very low	29.2	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	73%	0.734	S	S	*	*			cis	-152.6	168.2	17.4	-130.5	-30.1	0	0	0	112.1
288	R	26.9	Very low	30.1	Very low	226 Å²	226	142.9 Å²	142.9	85%	0.853	73%	0.727	S	S	*	*			trans	-64.9	124.4	169.5	-60.1	169.4	-170.6	175	2.5	109.5
289	D	28.1	Very low	31.1	Very low	158 Å²	158	143.1 Å²	143.1	85%	0.845	72%	0.72	S	S	*	*			trans	-173	101.6	141.9	-92.3	-25.7	0	0	0	109.7
290	V	29.5	Very low	32.5	Very low	133 Å²	133	139.9 Å²	139.9	81%	0.806	71%	0.707	S	S	*	*			trans	-82.9	121.1	166.4	176.8	0	0	0	0	106.8	S292	V290-S292 PolarHBondContact O-N 3.45Å
291	P	33.5	Very low	34.7	Very low	99 Å²	99	135 Å²	135	64%	0.643	69%	0.693	S	S	*	*			trans	-69.5	135.5	-178.5	19.2	-19.1	0	0	0	111.1	N293	P291-N293 PolarHBondContact O-N 3.11Å
292	S	35.9	Very low	37.2	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	19.4	-173.4	61	0	0	0	0	118.5	V290 S294 C295	V290-S292 PolarHBondContact O-N 3.45Å; S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 3.08Å; S292-C295 PolarHBondContact O-N 3.19Å
293	N	36.1	Very low	40	Very low	119 Å²	119	132 Å²	132	64%	0.636	68%	0.676	S	S	*	*	H	α-helix	trans	-73	-21.2	-175	-73	-7.1	0	0	0	113.9	P291 C295 T297	P291-N293 PolarHBondContact O-N 3.11Å; N293-C295 VanDerWaalsContact C-N 3.35Å; N293-C295 PolarHBondContact O-N 3.08Å; N293-T297 PolarHBondContact O-OG1 3.21Å
294	S	33.4	Very low	42.7	Very low	86 Å²	86	123.3 Å²	123.3	60%	0.601	65%	0.649	S	S	*	*	H	α-helix	trans	-71.2	-27.2	176.7	49.7	0	0	0	0	113.3	S292 V298	S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 3.08Å; S294-V298 VanDerWaalsContact O-CG2 3.26Å; S294-V298 WeakPolarHBondContact O-CG2 3.5Å
295	C	33.8	Very low	45.5	Very low	66 Å²	66	122 Å²	122	45%	0.446	64%	0.636	S	S	.	*	H	α-helix	trans	-77.1	-32.9	-179.9	-161.7	0	0	0	0	112.3	S292 N293 R299	S292-C295 PolarHBondContact O-N 3.19Å; N293-C295 VanDerWaalsContact C-N 3.35Å; N293-C295 PolarHBondContact O-N 3.08Å; C295-R299 WeakPolarHBondContact O-CB 3.27Å; C295-R299 VanDerWaalsContact O-CG 3.31Å; C295-R299 WeakPolarHBondContact O-CG 3.31Å; C295-R299 PolarHBondContact O-N 2.76Å; C295-R299 VanDerWaalsContact O-N 3.1Å
296	F	34.7	Very low	48.4	Very low	152 Å²	152	114.2 Å²	114.2	67%	0.667	62%	0.615	S	S	*	*	H	α-helix	trans	-71.4	-45.6	-178.5	-162.2	-96.3	0	0	0	111.9	V298 R299 H300	F296-V298 PolarHBondContact O-N 3.17Å; F296-R299 PolarHBondContact O-N 3.38Å; F296-H300 PolarHBondContact O-N 2.98Å
297	T	39.8	Very low	51.3	Low	93 Å²	93	110.9 Å²	110.9	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-62.9	-43.2	178.5	-42.6	0	0	0	0	111.7	N293 H300 S301	N293-T297 PolarHBondContact O-OG1 3.21Å; T297-H300 PolarHBondContact O-N 2.89Å; T297-S301 PolarHBondContact O-N 2.88Å; T297-S301 PolarHBondContact O-OG 3.44Å; T297-S301 VanDerWaalsContact O-OG 3.09Å
298	V	46.2	Very low	54.2	Low	87 Å²	87	106.3 Å²	106.3	53%	0.527	58%	0.576	S	S	.	*	H	α-helix	trans	-65	-42.3	177.5	174.4	0	0	0	0	111.6	S294 F296 H300 S301 L302	S294-V298 VanDerWaalsContact O-CG2 3.26Å; S294-V298 WeakPolarHBondContact O-CG2 3.5Å; F296-V298 PolarHBondContact O-N 3.17Å; V298-H300 VanDerWaalsContact C-N 3.35Å; V298-H300 PolarHBondContact O-N 3.38Å; V298-S301 PolarHBondContact O-N 2.91Å; V298-L302 HydrophobicContact CG1-CD1 3.94Å; V298-L302 PolarHBondContact O-N 2.81Å
299	R	45.4	Very low	57.2	Low	180 Å²	180	99.6 Å²	99.6	68%	0.679	56%	0.56	S	S	*	*	H	α-helix	trans	-62.5	-41.3	176.2	-80.7	179.8	173.1	179.5	0.1	112.1	C295 F296 L302 L303	C295-R299 WeakPolarHBondContact O-CB 3.27Å; C295-R299 VanDerWaalsContact O-CG 3.31Å; C295-R299 WeakPolarHBondContact O-CG 3.31Å; C295-R299 PolarHBondContact O-N 2.76Å; C295-R299 VanDerWaalsContact O-N 3.1Å; F296-R299 PolarHBondContact O-N 3.38Å; R299-L302 PolarHBondContact O-N 3.02Å; R299-L303 WeakPolarHBondContact O-CB 3.3Å; R299-L303 PolarHBondContact O-N 2.96Å
300	H	57.4	Low	60.3	Low	110 Å²	110	95.6 Å²	95.6	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-66.3	-41.7	178.6	-149.4	-71.4	0	0	0	111.5	F296 T297 V298 L303 V304	F296-H300 PolarHBondContact O-N 2.98Å; T297-H300 PolarHBondContact O-N 2.89Å; V298-H300 VanDerWaalsContact C-N 3.35Å; V298-H300 PolarHBondContact O-N 3.38Å; H300-L303 PolarHBondContact O-N 3.41Å; H300-V304 WeakPolarHBondContact O-CG2 3.31Å; H300-V304 PolarHBondContact O-N 3.06Å
301	S	69.9	Low	63.2	Low	70 Å²	70	91.4 Å²	91.4	49%	0.49	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-42.5	174.3	-57.5	0	0	0	0	112.5	T297 V298 V304 V305	T297-S301 PolarHBondContact O-N 2.88Å; T297-S301 PolarHBondContact O-OG 3.44Å; T297-S301 VanDerWaalsContact O-OG 3.09Å; V298-S301 PolarHBondContact O-N 2.91Å; S301-V304 PolarHBondContact O-N 3.12Å; S301-V305 VanDerWaalsContact O-CG2 3.32Å; S301-V305 WeakPolarHBondContact O-CG2 3.34Å; S301-V305 PolarHBondContact O-N 3.07Å
302	L	77.5	Confident	65.9	Low	112 Å²	112	89.7 Å²	89.7	59%	0.586	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-40.8	176.7	-111.4	122.1	0	0	0	112.2	V298 R299 V305 T306	V298-L302 HydrophobicContact CG1-CD1 3.94Å; V298-L302 PolarHBondContact O-N 2.81Å; R299-L302 PolarHBondContact O-N 3.02Å; L302-V305 PolarHBondContact O-N 3.39Å; L302-T306 VanDerWaalsContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CB 3.49Å; L302-T306 PolarHBondContact O-N 3.13Å; L302-T306 PolarHBondContact O-OG1 2.83Å
303	L	83.9	Confident	68.6	Low	107 Å²	107	88.8 Å²	88.8	56%	0.56	49%	0.487	S	S	*	.	H	α-helix	trans	-62	-47.6	177	-176.8	67.7	0	0	0	111	R299 H300 V305 T306 V307	R299-L303 WeakPolarHBondContact O-CB 3.3Å; R299-L303 PolarHBondContact O-N 2.96Å; H300-L303 PolarHBondContact O-N 3.41Å; L303-V305 PolarHBondContact O-N 3.2Å; L303-T306 WeakPolarHBondContact O-CB 3.34Å; L303-T306 PolarHBondContact O-N 3.2Å; L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.17Å
304	V	81	Confident	71.4	Confident	54 Å²	54	90.5 Å²	90.5	33%	0.327	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-47.2	178.6	172.2	0	0	0	0	111.1	H300 S301 T306 V307 M308	H300-V304 WeakPolarHBondContact O-CG2 3.31Å; H300-V304 PolarHBondContact O-N 3.06Å; S301-V304 PolarHBondContact O-N 3.12Å; V304-T306 VanDerWaalsContact C-N 3.32Å; V304-T306 PolarHBondContact O-N 3.34Å; V304-V307 PolarHBondContact O-N 3.14Å; V304-M308 HydrophobicContact CG1-CE 3.74Å; V304-M308 HydrophobicContact CG1-SD 4.19Å; V304-M308 WeakPolarHBondContact O-CG 3.32Å; V304-M308 PolarHBondContact O-N 3.04Å
305	V	83.4	Confident	74.2	Confident	87 Å²	87	87.4 Å²	87.4	53%	0.527	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.7	172.6	0	0	0	0	111	S301 L302 L303 V307 M308 V309	S301-V305 VanDerWaalsContact O-CG2 3.32Å; S301-V305 WeakPolarHBondContact O-CG2 3.34Å; S301-V305 PolarHBondContact O-N 3.07Å; L302-V305 PolarHBondContact O-N 3.39Å; L303-V305 PolarHBondContact O-N 3.2Å; V305-V307 PolarHBondContact O-N 3.32Å; V305-M308 PolarHBondContact O-N 3.34Å; V305-V309 HydrophobicContact CG1-CG2 4.38Å; V305-V309 WeakPolarHBondContact O-CG2 3.43Å; V305-V309 PolarHBondContact O-N 2.84Å
306	T	87.4	Confident	76.9	Confident	69 Å²	69	87.6 Å²	87.6	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-46.1	177.5	-57.8	0	0	0	0	110.8	L302 L303 V304 M308 V309 C310	L302-T306 VanDerWaalsContact O-CB 3.3Å; L302-T306 WeakPolarHBondContact O-CB 3.49Å; L302-T306 PolarHBondContact O-N 3.13Å; L302-T306 PolarHBondContact O-OG1 2.83Å; L303-T306 WeakPolarHBondContact O-CB 3.34Å; L303-T306 PolarHBondContact O-N 3.2Å; V304-T306 VanDerWaalsContact C-N 3.32Å; V304-T306 PolarHBondContact O-N 3.34Å; T306-M308 PolarHBondContact O-N 2.94Å; T306-V309 PolarHBondContact O-N 3.2Å; T306-C310 VanDerWaalsContact O-CB 3.31Å; T306-C310 WeakPolarHBondContact O-CB 3.49Å; T306-C310 PolarHBondContact O-N 2.82Å; T306-C310 PolarHBondContact O-SG 3.14Å
307	V	88.1	Confident	79.7	Confident	87 Å²	87	84.4 Å²	84.4	53%	0.527	44%	0.442	S	S	.	.	H	α-helix	trans	-60.5	-44	176.3	171.3	0	0	0	0	111.2	L303 V304 V305 V309 C310 R311	L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.17Å; V304-V307 PolarHBondContact O-N 3.14Å; V305-V307 PolarHBondContact O-N 3.32Å; V307-V309 PolarHBondContact O-N 2.92Å; V307-C310 PolarHBondContact O-N 3.29Å; V307-R311 VanDerWaalsContact O-CB 3.23Å; V307-R311 WeakPolarHBondContact O-CB 3.42Å; V307-R311 PolarHBondContact O-N 3.47Å
308	M	87.4	Confident	82.2	Confident	43 Å²	43	82 Å²	82	21%	0.212	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-43.4	177.1	-71.3	178.2	173.9	0	0	112.2	V304 V305 T306 R311 Q312 M518 A522	V304-M308 HydrophobicContact CG1-CE 3.74Å; V304-M308 HydrophobicContact CG1-SD 4.19Å; V304-M308 WeakPolarHBondContact O-CG 3.32Å; V304-M308 PolarHBondContact O-N 3.04Å; V305-M308 PolarHBondContact O-N 3.34Å; T306-M308 PolarHBondContact O-N 2.94Å; M308-R311 WeakPolarHBondContact O-CB 3.33Å; M308-R311 PolarHBondContact O-N 2.84Å; M308-Q312 PolarHBondContact O-N 3.38Å; M308-M518 HydrophobicContact CE-CE 4.37Å; M308-A522 HydrophobicContact CE-CB 3.91Å
309	V	88.8	Confident	84.3	Confident	84 Å²	84	78.5 Å²	78.5	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-48	177.3	172.8	0	0	0	0	111	V305 T306 V307 R311 Q312 V313	V305-V309 HydrophobicContact CG1-CG2 4.38Å; V305-V309 WeakPolarHBondContact O-CG2 3.43Å; V305-V309 PolarHBondContact O-N 2.84Å; T306-V309 PolarHBondContact O-N 3.2Å; V307-V309 PolarHBondContact O-N 2.92Å; V309-R311 PolarHBondContact O-N 3.47Å; V309-Q312 PolarHBondContact O-N 2.79Å; V309-Q312 VanDerWaalsContact O-N 3.11Å; V309-V313 HydrophobicContact CG1-CG2 4.46Å; V309-V313 WeakPolarHBondContact O-CG2 2.95Å; V309-V313 PolarHBondContact O-N 2.89Å
310	C	92.5	Very high	86.3	Confident	75 Å²	75	73.8 Å²	73.8	51%	0.507	39%	0.387	S	S	.	.	H	α-helix	trans	-57.1	-40.9	176.3	-73.6	0	0	0	0	111.2	T306 V307 V313 W314	T306-C310 VanDerWaalsContact O-CB 3.31Å; T306-C310 WeakPolarHBondContact O-CB 3.49Å; T306-C310 PolarHBondContact O-N 2.82Å; T306-C310 PolarHBondContact O-SG 3.14Å; V307-C310 PolarHBondContact O-N 3.29Å; C310-V313 PolarHBondContact O-N 2.85Å; C310-W314 VanDerWaalsContact O-CB 3.28Å; C310-W314 WeakPolarHBondContact O-CB 3.27Å; C310-W314 PolarHBondContact O-N 3.3Å
311	R	90.9	Very high	88	Confident	45 Å²	45	73.7 Å²	73.7	17%	0.17	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-47.7	174.6	-177.6	168.8	89.7	152.3	-1.2	112	V307 M308 V309 V313 W314 Y315 D512 A522	V307-R311 VanDerWaalsContact O-CB 3.23Å; V307-R311 WeakPolarHBondContact O-CB 3.42Å; V307-R311 PolarHBondContact O-N 3.47Å; M308-R311 WeakPolarHBondContact O-CB 3.33Å; M308-R311 PolarHBondContact O-N 2.84Å; V309-R311 PolarHBondContact O-N 3.47Å; R311-V313 VanDerWaalsContact C-N 3.32Å; R311-V313 PolarHBondContact O-N 2.81Å; R311-W314 PolarHBondContact O-N 2.86Å; R311-Y315 HydrophobicContact CG-CD2 3.74Å; R311-Y315 HydrophobicContact CG-CE2 3.75Å; R311-Y315 VanDerWaalsContact O-CD2 3.3Å; R311-Y315 WeakPolarHBondContact O-CD2 3.3Å; R311-Y315 PolarHBondContact O-N 2.82Å; R311-D512 IonicContact CZ-OD1 2.92Å; R311-D512 IonicContact CZ-OD2 3.94Å; R311-D512 IonicContact NH1-OD1 3.64Å; R311-D512 PolarHBondContact NH1-OD1 3Å; R311-D512 IonicContact NH1-OD2 3.83Å; R311-D512 PolarHBondContact NH1-OD2 3.42Å; R311-D512 IonicContact NH2-OD1 3.92Å; R311-D512 PolarHBondContact NH2-OD1 3.27Å; R311-A522 PolarHBondContact NH2-O 3.47Å
312	Q	90.9	Very high	89	Confident	62 Å²	62	71.3 Å²	71.3	29%	0.29	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-43.7	178.3	-172.2	67.1	14.1	0	0	111.5	M308 V309 F316 C524	M308-Q312 PolarHBondContact O-N 3.38Å; V309-Q312 PolarHBondContact O-N 2.79Å; V309-Q312 VanDerWaalsContact O-N 3.11Å; Q312-F316 VanDerWaalsContact O-CB 3.26Å; Q312-F316 WeakPolarHBondContact O-CB 3.32Å; Q312-F316 PolarHBondContact O-N 2.79Å; Q312-C524 VanDerWaalsContact OE1-CA 3.28Å; Q312-C524 PolarHBondContact OE1-SG 2.61Å
313	V	92.1	Very high	89.3	Confident	76 Å²	76	67.4 Å²	67.4	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.5	174	0	0	0	0	111.2	V309 C310 R311 F316 I317	V309-V313 HydrophobicContact CG1-CG2 4.46Å; V309-V313 WeakPolarHBondContact O-CG2 2.95Å; V309-V313 PolarHBondContact O-N 2.89Å; C310-V313 PolarHBondContact O-N 2.85Å; R311-V313 VanDerWaalsContact C-N 3.32Å; R311-V313 PolarHBondContact O-N 2.81Å; V313-F316 WeakPolarHBondContact O-CB 3.4Å; V313-F316 PolarHBondContact O-N 2.82Å; V313-I317 HydrophobicContact CG1-CD1 3.82Å; V313-I317 HydrophobicContact CG1-CG1 4.47Å; V313-I317 WeakPolarHBondContact O-CG1 3.36Å; V313-I317 PolarHBondContact O-N 2.8Å
314	W	94.6	Very high	89.4	Confident	156 Å²	156	65.9 Å²	65.9	59%	0.591	35%	0.353	S	S	*	.	H	α-helix	trans	-59	-53.6	177.6	174.2	-102	0	0	0	111.8	C310 R311 F316 I317 L318	C310-W314 VanDerWaalsContact O-CB 3.28Å; C310-W314 WeakPolarHBondContact O-CB 3.27Å; C310-W314 PolarHBondContact O-N 3.3Å; R311-W314 PolarHBondContact O-N 2.86Å; W314-F316 VanDerWaalsContact C-N 3.29Å; W314-F316 PolarHBondContact O-N 3.34Å; W314-I317 PolarHBondContact O-N 3.3Å; W314-L318 VanDerWaalsContact O-CB 3.31Å; W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 PolarHBondContact O-N 3.1Å
315	Y	93.1	Very high	89.8	Confident	21 Å²	21	69.5 Å²	69.5	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-67.4	-31	179.8	-78.8	-70.8	0	0	0	112.8	R311 L318 L319 A498 S500 L527	R311-Y315 HydrophobicContact CG-CD2 3.74Å; R311-Y315 HydrophobicContact CG-CE2 3.75Å; R311-Y315 VanDerWaalsContact O-CD2 3.3Å; R311-Y315 WeakPolarHBondContact O-CD2 3.3Å; R311-Y315 PolarHBondContact O-N 2.82Å; Y315-L318 HydrophobicContact CD1-CD2 4.35Å; Y315-L318 HydrophobicContact CE1-CD2 4.38Å; Y315-L319 HydrophobicContact CD1-CD1 4.47Å; Y315-L319 WeakPolarHBondContact O-CB 3.27Å; Y315-L319 VanDerWaalsContact O-CD1 3.27Å; Y315-L319 WeakPolarHBondContact O-CD1 3.48Å; Y315-L319 PolarHBondContact O-N 2.83Å; Y315-A498 VanDerWaalsContact CE1-O 3.27Å; Y315-A498 WeakPolarHBondContact CE1-O 3.27Å; Y315-S500 WeakPolarHBondContact OH-CB 3.49Å; Y315-L527 HydrophobicContact CD1-CB 4.25Å; Y315-L527 HydrophobicContact CD1-CD1 4.45Å; Y315-L527 HydrophobicContact CD2-CB 3.95Å; Y315-L527 HydrophobicContact CE1-CB 4.29Å; Y315-L527 HydrophobicContact CE1-CD1 3.73Å; Y315-L527 HydrophobicContact CE1-CG 4.49Å; Y315-L527 HydrophobicContact CE2-CB 3.98Å; Y315-L527 HydrophobicContact CE2-CD1 4.11Å; Y315-L527 HydrophobicContact CE2-CD2 3.82Å; Y315-L527 HydrophobicContact CE2-CG 4.18Å; Y315-L527 HydrophobicContact CG-CB 4.1Å; Y315-L527 WeakPolarHBondContact OH-CD1 3.38Å
316	F	91	Very high	89.9	Confident	70 Å²	70	65.4 Å²	65.4	31%	0.307	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-56.7	169.2	179.1	-95.4	0	0	0	110.7	Q312 V313 W314 L318 L319 Y320 H526 N572	Q312-F316 VanDerWaalsContact O-CB 3.26Å; Q312-F316 WeakPolarHBondContact O-CB 3.32Å; Q312-F316 PolarHBondContact O-N 2.79Å; V313-F316 WeakPolarHBondContact O-CB 3.4Å; V313-F316 PolarHBondContact O-N 2.82Å; W314-F316 VanDerWaalsContact C-N 3.29Å; W314-F316 PolarHBondContact O-N 3.34Å; F316-L318 VanDerWaalsContact C-N 3.35Å; F316-L318 PolarHBondContact O-N 3.37Å; F316-L319 PolarHBondContact O-N 2.87Å; F316-Y320 HydrophobicContact CD1-CD2 4.43Å; F316-Y320 HydrophobicContact CD2-CD2 4.23Å; F316-Y320 AromaticContact CD2-CE2 3.8Å; F316-Y320 HydrophobicContact CD2-CE2 3.8Å; F316-Y320 HydrophobicContact CE1-CD2 4.16Å; F316-Y320 HydrophobicContact CE1-CE2 4.02Å; F316-Y320 AromaticContact CE2-CD2 3.95Å; F316-Y320 HydrophobicContact CE2-CD2 3.95Å; F316-Y320 AromaticContact CE2-CE2 3.18Å; F316-Y320 HydrophobicContact CE2-CE2 3.18Å; F316-Y320 AromaticContact CE2-CZ 3.81Å; F316-Y320 HydrophobicContact CG-CD2 4.46Å; F316-Y320 HydrophobicContact CG-CE2 4.43Å; F316-Y320 AromaticContact CZ-CD2 3.91Å; F316-Y320 HydrophobicContact CZ-CD2 3.91Å; F316-Y320 AromaticContact CZ-CE2 3.31Å; F316-Y320 HydrophobicContact CZ-CE2 3.31Å; F316-Y320 AromaticContact CZ-CZ 3.64Å; F316-Y320 VanDerWaalsContact O-CD2 3.23Å; F316-Y320 WeakPolarHBondContact O-CD2 3.45Å; F316-Y320 PolarHBondContact O-N 2.78Å; F316-H526 AromaticContact CD2-NE2 3.55Å; F316-N572 VanDerWaalsContact CE2-ND2 3.27Å; F316-N572 WeakPolarHBondContact CE2-ND2 3.46Å
317	I	92.4	Very high	89.6	Confident	85 Å²	85	64.6 Å²	64.6	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-46	-179.4	-66.3	168	0	0	0	110.9	V313 W314 L319 Y320 L321	V313-I317 HydrophobicContact CG1-CD1 3.82Å; V313-I317 HydrophobicContact CG1-CG1 4.47Å; V313-I317 WeakPolarHBondContact O-CG1 3.36Å; V313-I317 PolarHBondContact O-N 2.8Å; W314-I317 PolarHBondContact O-N 3.3Å; I317-L319 PolarHBondContact O-N 3.19Å; I317-Y320 PolarHBondContact O-N 3.33Å; I317-Y320 VanDerWaalsContact O-N 3.15Å; I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 HydrophobicContact CG2-CG 4.28Å; I317-L321 WeakPolarHBondContact O-CG 3.37Å; I317-L321 PolarHBondContact O-N 3.36Å
318	L	92.8	Very high	89.5	Confident	43 Å²	43	65.8 Å²	65.8	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-45.4	-177.3	-176.7	59.2	0	0	0	112.4	W314 Y315 F316 Y320 L321 I322 A498	W314-L318 VanDerWaalsContact O-CB 3.31Å; W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 PolarHBondContact O-N 3.1Å; Y315-L318 HydrophobicContact CD1-CD2 4.35Å; Y315-L318 HydrophobicContact CE1-CD2 4.38Å; F316-L318 VanDerWaalsContact C-N 3.35Å; F316-L318 PolarHBondContact O-N 3.37Å; L318-Y320 VanDerWaalsContact C-N 3.3Å; L318-Y320 PolarHBondContact O-N 2.93Å; L318-L321 PolarHBondContact O-N 2.78Å; L318-I322 HydrophobicContact CD1-CD1 4.42Å; L318-I322 HydrophobicContact CG-CD1 4.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.5Å; L318-I322 PolarHBondContact O-N 2.99Å; L318-A498 HydrophobicContact CD2-CB 3.73Å; L318-A498 HydrophobicContact CG-CB 3.94Å
319	L	90	Very high	89.3	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-34.1	177.4	-93.2	69.7	0	0	0	111.9	Y315 F316 I317 G323 M443 V495 A498 H526	Y315-L319 HydrophobicContact CD1-CD1 4.47Å; Y315-L319 WeakPolarHBondContact O-CB 3.27Å; Y315-L319 VanDerWaalsContact O-CD1 3.27Å; Y315-L319 WeakPolarHBondContact O-CD1 3.48Å; Y315-L319 PolarHBondContact O-N 2.83Å; F316-L319 PolarHBondContact O-N 2.87Å; I317-L319 PolarHBondContact O-N 3.19Å; L319-G323 PolarHBondContact O-N 3.07Å; L319-M443 HydrophobicContact CD2-CE 3.37Å; L319-V495 HydrophobicContact CD2-CB 4.38Å; L319-V495 HydrophobicContact CD2-CG1 4.15Å; L319-V495 HydrophobicContact CG-CB 4.35Å; L319-V495 HydrophobicContact CG-CG1 4.16Å; L319-A498 HydrophobicContact CD1-CB 3.44Å; L319-A498 VanDerWaalsContact CD1-CB 3.44Å; L319-A498 HydrophobicContact CG-CB 4.45Å; L319-H526 HydrophobicContact CD1-CB 4.32Å; L319-H526 HydrophobicContact CD2-CB 3.96Å
320	Y	87.5	Confident	89	Confident	81 Å²	81	61.7 Å²	61.7	32%	0.318	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-41.5	174.2	-89.1	-102.3	0	0	0	112.1	F316 I317 L318 I322 G323 V324 N572 N575	F316-Y320 HydrophobicContact CD1-CD2 4.43Å; F316-Y320 HydrophobicContact CD2-CD2 4.23Å; F316-Y320 AromaticContact CD2-CE2 3.8Å; F316-Y320 HydrophobicContact CD2-CE2 3.8Å; F316-Y320 HydrophobicContact CE1-CD2 4.16Å; F316-Y320 HydrophobicContact CE1-CE2 4.02Å; F316-Y320 AromaticContact CE2-CD2 3.95Å; F316-Y320 HydrophobicContact CE2-CD2 3.95Å; F316-Y320 AromaticContact CE2-CE2 3.18Å; F316-Y320 HydrophobicContact CE2-CE2 3.18Å; F316-Y320 AromaticContact CE2-CZ 3.81Å; F316-Y320 HydrophobicContact CG-CD2 4.46Å; F316-Y320 HydrophobicContact CG-CE2 4.43Å; F316-Y320 AromaticContact CZ-CD2 3.91Å; F316-Y320 HydrophobicContact CZ-CD2 3.91Å; F316-Y320 AromaticContact CZ-CE2 3.31Å; F316-Y320 HydrophobicContact CZ-CE2 3.31Å; F316-Y320 AromaticContact CZ-CZ 3.64Å; F316-Y320 VanDerWaalsContact O-CD2 3.23Å; F316-Y320 WeakPolarHBondContact O-CD2 3.45Å; F316-Y320 PolarHBondContact O-N 2.78Å; I317-Y320 PolarHBondContact O-N 3.33Å; I317-Y320 VanDerWaalsContact O-N 3.15Å; L318-Y320 VanDerWaalsContact C-N 3.3Å; L318-Y320 PolarHBondContact O-N 2.93Å; Y320-I322 VanDerWaalsContact C-N 3.33Å; Y320-I322 PolarHBondContact O-N 3.33Å; Y320-G323 CarbonylContact O-C 3.55Å; Y320-G323 WeakPolarHBondContact O-CA 3.21Å; Y320-G323 PolarHBondContact O-N 3.38Å; Y320-G323 VanDerWaalsContact O-N 3.14Å; Y320-V324 WeakPolarHBondContact O-CG2 3.1Å; Y320-V324 PolarHBondContact O-N 3.31Å; Y320-N572 PolarHBondContact OH-ND2 3.11Å; Y320-N572 PolarHBondContact OH-OD1 2.82Å; Y320-N575 PolarHBondContact OH-ND2 3.38Å; Y320-N575 PolarHBondContact OH-OD1 2.81Å
321	L	92.2	Very high	88.5	Confident	109 Å²	109	62.2 Å²	62.2	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-61.2	-42.7	174.9	-69.3	174.6	0	0	0	111.6	I317 L318 G323 V324 R325	I317-L321 HydrophobicContact CG2-CD1 3.99Å; I317-L321 HydrophobicContact CG2-CG 4.28Å; I317-L321 WeakPolarHBondContact O-CG 3.37Å; I317-L321 PolarHBondContact O-N 3.36Å; L318-L321 PolarHBondContact O-N 2.78Å; L321-G323 VanDerWaalsContact C-N 3.34Å; L321-V324 PolarHBondContact O-N 3.44Å; L321-R325 PolarHBondContact O-N 3.44Å
322	I	90.8	Very high	88	Confident	20 Å²	20	67 Å²	67	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-40.9	173.2	-70	164.6	0	0	0	111	L318 Y320 V324 R325 C326 V494 H497 A498	L318-I322 HydrophobicContact CD1-CD1 4.42Å; L318-I322 HydrophobicContact CG-CD1 4.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.5Å; L318-I322 PolarHBondContact O-N 2.99Å; Y320-I322 VanDerWaalsContact C-N 3.33Å; Y320-I322 PolarHBondContact O-N 3.33Å; I322-V324 VanDerWaalsContact C-N 3.34Å; I322-V324 PolarHBondContact O-N 2.97Å; I322-R325 PolarHBondContact O-N 2.88Å; I322-C326 VanDerWaalsContact O-CB 3.28Å; I322-C326 WeakPolarHBondContact O-CB 3.38Å; I322-C326 PolarHBondContact O-N 2.91Å; I322-V494 HydrophobicContact CG2-CB 4.43Å; I322-V494 HydrophobicContact CG2-CG1 3.93Å; I322-V494 HydrophobicContact CG2-CG2 3.91Å; I322-H497 HydrophobicContact CD1-CB 4.3Å; I322-A498 HydrophobicContact CD1-CB 3.6Å
323	G	85.1	Confident	87.5	Confident	30 Å²	30	66.8 Å²	66.8	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-42.5	175.1	0	0	0	0	0	112.6	L319 Y320 L321 C326 F327	L319-G323 PolarHBondContact O-N 3.07Å; Y320-G323 CarbonylContact O-C 3.55Å; Y320-G323 WeakPolarHBondContact O-CA 3.21Å; Y320-G323 PolarHBondContact O-N 3.38Å; Y320-G323 VanDerWaalsContact O-N 3.14Å; L321-G323 VanDerWaalsContact C-N 3.34Å; G323-C326 PolarHBondContact O-N 3.23Å; G323-F327 WeakPolarHBondContact O-CB 3.5Å; G323-F327 PolarHBondContact O-N 3.31Å
324	V	85.5	Confident	86.4	Confident	74 Å²	74	66.2 Å²	66.2	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-45.9	175.6	171.2	0	0	0	0	110.9	Y320 L321 I322 C326 F327 F328	Y320-V324 WeakPolarHBondContact O-CG2 3.1Å; Y320-V324 PolarHBondContact O-N 3.31Å; L321-V324 PolarHBondContact O-N 3.44Å; I322-V324 VanDerWaalsContact C-N 3.34Å; I322-V324 PolarHBondContact O-N 2.97Å; V324-C326 VanDerWaalsContact C-N 3.34Å; V324-C326 PolarHBondContact O-N 3.19Å; V324-F327 WeakPolarHBondContact O-CB 3.45Å; V324-F327 PolarHBondContact O-N 2.97Å; V324-F328 HydrophobicContact CG1-CD2 3.95Å; V324-F328 HydrophobicContact CG1-CE2 3.64Å; V324-F328 WeakPolarHBondContact O-CD2 3.25Å; V324-F328 PolarHBondContact O-N 3.13Å; V324-F328 VanDerWaalsContact O-N 3.11Å
325	R	89.2	Confident	85.2	Confident	131 Å²	131	66 Å²	66	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-57.4	-49	173.8	175.3	-175.5	164.7	-169.7	-10.2	111.2	L321 I322 F327 F328 E329	L321-R325 PolarHBondContact O-N 3.44Å; I322-R325 PolarHBondContact O-N 2.88Å; R325-F327 VanDerWaalsContact C-N 3.27Å; R325-F327 PolarHBondContact O-N 3.3Å; R325-F328 PolarHBondContact O-N 2.89Å; R325-F328 VanDerWaalsContact O-N 3.17Å; R325-E329 IonicContact CZ-OE1 3.68Å; R325-E329 VanDerWaalsContact CZ-OE1 3.3Å; R325-E329 IonicContact NE-OE1 3.3Å; R325-E329 PolarHBondContact NE-OE1 3.45Å; R325-E329 IonicContact NH2-OE1 3.01Å; R325-E329 PolarHBondContact NH2-OE1 3.5Å; R325-E329 PolarHBondContact O-N 2.9Å
326	C	85.5	Confident	84.2	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-38.3	-179.9	-172.4	0	0	0	0	111.4	I322 G323 V324 E329 Q330 V494 H559	I322-C326 VanDerWaalsContact O-CB 3.28Å; I322-C326 WeakPolarHBondContact O-CB 3.38Å; I322-C326 PolarHBondContact O-N 2.91Å; G323-C326 PolarHBondContact O-N 3.23Å; V324-C326 VanDerWaalsContact C-N 3.34Å; V324-C326 PolarHBondContact O-N 3.19Å; C326-E329 PolarHBondContact O-N 3.34Å; C326-Q330 WeakPolarHBondContact O-CB 3.34Å; C326-Q330 VanDerWaalsContact O-CG 3.22Å; C326-Q330 WeakPolarHBondContact O-CG 3.46Å; C326-Q330 PolarHBondContact O-N 2.78Å; C326-Q330 PolarHBondContact SG-NE2 3.41Å; C326-V494 HydrophobicContact CB-CG1 4.09Å; C326-H559 PolarHBondContact SG-NE2 2.65Å
327	F	81.5	Confident	83.3	Confident	52 Å²	52	71.7 Å²	71.7	23%	0.228	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-50.1	173.4	162.9	-113	0	0	0	111.9	G323 V324 R325 E329 Q330 L331 V587	G323-F327 WeakPolarHBondContact O-CB 3.5Å; G323-F327 PolarHBondContact O-N 3.31Å; V324-F327 WeakPolarHBondContact O-CB 3.45Å; V324-F327 PolarHBondContact O-N 2.97Å; R325-F327 VanDerWaalsContact C-N 3.27Å; R325-F327 PolarHBondContact O-N 3.3Å; F327-E329 PolarHBondContact O-N 2.99Å; F327-Q330 PolarHBondContact O-N 2.94Å; F327-L331 HydrophobicContact CD2-CD1 4.44Å; F327-L331 HydrophobicContact CD2-CG 4.28Å; F327-L331 HydrophobicContact CE1-CD1 3.9Å; F327-L331 HydrophobicContact CE2-CD1 3.73Å; F327-L331 HydrophobicContact CE2-CD2 3.97Å; F327-L331 HydrophobicContact CE2-CG 3.77Å; F327-L331 HydrophobicContact CZ-CD1 3.46Å; F327-L331 VanDerWaalsContact CZ-CD1 3.46Å; F327-L331 HydrophobicContact CZ-CD2 4.39Å; F327-L331 HydrophobicContact CZ-CG 4.06Å; F327-L331 PolarHBondContact O-N 3.28Å; F327-L331 VanDerWaalsContact O-N 3.07Å; F327-V587 HydrophobicContact CB-CG1 4.5Å; F327-V587 HydrophobicContact CD2-CB 3.9Å; F327-V587 HydrophobicContact CD2-CG1 3.23Å; F327-V587 HydrophobicContact CD2-CG2 4.21Å; F327-V587 HydrophobicContact CE2-CB 3.67Å; F327-V587 HydrophobicContact CE2-CG1 3.47Å; F327-V587 VanDerWaalsContact CE2-CG1 3.47Å; F327-V587 HydrophobicContact CE2-CG2 3.52Å; F327-V587 HydrophobicContact CG-CG1 3.91Å; F327-V587 HydrophobicContact CZ-CG1 4.28Å; F327-V587 HydrophobicContact CZ-CG2 3.95Å
328	F	85.6	Confident	82.7	Confident	112 Å²	112	71.7 Å²	71.7	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-45	177.8	-77	-69	0	0	0	111.8	V324 R325 Q330 L331 F332	V324-F328 HydrophobicContact CG1-CD2 3.95Å; V324-F328 HydrophobicContact CG1-CE2 3.64Å; V324-F328 WeakPolarHBondContact O-CD2 3.25Å; V324-F328 PolarHBondContact O-N 3.13Å; V324-F328 VanDerWaalsContact O-N 3.11Å; R325-F328 PolarHBondContact O-N 2.89Å; R325-F328 VanDerWaalsContact O-N 3.17Å; F328-Q330 VanDerWaalsContact C-N 3.33Å; F328-Q330 PolarHBondContact O-N 3.44Å; F328-L331 PolarHBondContact O-N 3.36Å; F328-F332 WeakPolarHBondContact O-CD2 3.34Å; F328-F332 PolarHBondContact O-N 3.41Å
329	E	83.9	Confident	82.3	Confident	40 Å²	40	70.3 Å²	70.3	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-44.2	175.6	-71.4	174.2	175.4	0	0	111.5	R325 C326 F327 L331 F332 Y333	R325-E329 IonicContact CZ-OE1 3.68Å; R325-E329 VanDerWaalsContact CZ-OE1 3.3Å; R325-E329 IonicContact NE-OE1 3.3Å; R325-E329 PolarHBondContact NE-OE1 3.45Å; R325-E329 IonicContact NH2-OE1 3.01Å; R325-E329 PolarHBondContact NH2-OE1 3.5Å; R325-E329 PolarHBondContact O-N 2.9Å; C326-E329 PolarHBondContact O-N 3.34Å; F327-E329 PolarHBondContact O-N 2.99Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 3.04Å; E329-F332 PolarHBondContact O-N 3.1Å; E329-F332 VanDerWaalsContact O-N 3.11Å; E329-Y333 HydrophobicContact CB-CD2 4.39Å; E329-Y333 HydrophobicContact CB-CE2 4.5Å; E329-Y333 WeakPolarHBondContact O-CD2 3.28Å; E329-Y333 PolarHBondContact O-N 3.33Å; E329-Y333 VanDerWaalsContact O-N 3.14Å
330	Q	82.5	Confident	81.9	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-38.7	178.8	-76.7	177.4	37	0	0	112.4	C326 F327 F328 F332 Y333 W334	C326-Q330 WeakPolarHBondContact O-CB 3.34Å; C326-Q330 VanDerWaalsContact O-CG 3.22Å; C326-Q330 WeakPolarHBondContact O-CG 3.46Å; C326-Q330 PolarHBondContact O-N 2.78Å; C326-Q330 PolarHBondContact SG-NE2 3.41Å; F327-Q330 PolarHBondContact O-N 2.94Å; F328-Q330 VanDerWaalsContact C-N 3.33Å; F328-Q330 PolarHBondContact O-N 3.44Å; Q330-F332 VanDerWaalsContact C-N 3.27Å; Q330-F332 PolarHBondContact O-N 3.26Å; Q330-Y333 PolarHBondContact O-N 3.12Å; Q330-W334 HydrophobicContact CB-CE3 3.96Å; Q330-W334 HydrophobicContact CB-CZ3 4.18Å; Q330-W334 WeakPolarHBondContact O-CA 2.93Å; Q330-W334 VanDerWaalsContact O-CB 3.26Å; Q330-W334 WeakPolarHBondContact O-CB 3.42Å; Q330-W334 PolarHBondContact O-N 3.49Å
331	L	80.7	Confident	81.7	Confident	86 Å²	86	77.1 Å²	77.1	45%	0.45	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-38.2	176.1	-72.5	175.8	0	0	0	112.3	F327 F328 E329	F327-L331 HydrophobicContact CD2-CD1 4.44Å; F327-L331 HydrophobicContact CD2-CG 4.28Å; F327-L331 HydrophobicContact CE1-CD1 3.9Å; F327-L331 HydrophobicContact CE2-CD1 3.73Å; F327-L331 HydrophobicContact CE2-CD2 3.97Å; F327-L331 HydrophobicContact CE2-CG 3.77Å; F327-L331 HydrophobicContact CZ-CD1 3.46Å; F327-L331 VanDerWaalsContact CZ-CD1 3.46Å; F327-L331 HydrophobicContact CZ-CD2 4.39Å; F327-L331 HydrophobicContact CZ-CG 4.06Å; F327-L331 PolarHBondContact O-N 3.28Å; F327-L331 VanDerWaalsContact O-N 3.07Å; F328-L331 PolarHBondContact O-N 3.36Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 3.04Å
332	F	82.1	Confident	81.3	Confident	147 Å²	147	72 Å²	72	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-76.9	-25.8	179.1	-69.7	-72.1	0	0	0	113.7	F328 E329 Q330 R336	F328-F332 WeakPolarHBondContact O-CD2 3.34Å; F328-F332 PolarHBondContact O-N 3.41Å; E329-F332 PolarHBondContact O-N 3.1Å; E329-F332 VanDerWaalsContact O-N 3.11Å; Q330-F332 VanDerWaalsContact C-N 3.27Å; Q330-F332 PolarHBondContact O-N 3.26Å; F332-R336 PolarHBondContact O-NE 3.04Å
333	Y	78.7	Confident	81	Confident	57 Å²	57	71.1 Å²	71.1	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-110.5	-2.4	-174.2	-61	-63.3	0	0	0	115	E329 Q330 N335 R336 N615 R617	E329-Y333 HydrophobicContact CB-CD2 4.39Å; E329-Y333 HydrophobicContact CB-CE2 4.5Å; E329-Y333 WeakPolarHBondContact O-CD2 3.28Å; E329-Y333 PolarHBondContact O-N 3.33Å; E329-Y333 VanDerWaalsContact O-N 3.14Å; Q330-Y333 PolarHBondContact O-N 3.12Å; Y333-N335 PolarHBondContact O-N 3.36Å; Y333-R336 PolarHBondContact O-N 3.03Å; Y333-N615 HydrophobicContact CD2-CB 4.03Å; Y333-N615 HydrophobicContact CG-CB 3.98Å; Y333-R617 VanDerWaalsContact CE1-CZ 3.42Å; Y333-R617 PolarHBondContact OH-NH1 3.24Å
334	W	69.9	Low	80.7	Confident	64 Å²	64	76.6 Å²	76.6	24%	0.242	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.5	-168	-157.6	-77.2	0	0	0	115.2	Q330 R589	Q330-W334 HydrophobicContact CB-CE3 3.96Å; Q330-W334 HydrophobicContact CB-CZ3 4.18Å; Q330-W334 WeakPolarHBondContact O-CA 2.93Å; Q330-W334 VanDerWaalsContact O-CB 3.26Å; Q330-W334 WeakPolarHBondContact O-CB 3.42Å; Q330-W334 PolarHBondContact O-N 3.49Å; W334-R589 HydrophobicContact CD2-CG 4.33Å; W334-R589 HydrophobicContact CE3-CG 4.2Å; W334-R589 HydrophobicContact CH2-CB 4.3Å; W334-R589 HydrophobicContact CH2-CG 3.59Å; W334-R589 HydrophobicContact CZ2-CB 4.31Å; W334-R589 HydrophobicContact CZ2-CG 3.71Å; W334-R589 HydrophobicContact CZ3-CG 3.83Å
335	N	68.7	Low	80.2	Confident	152 Å²	152	76.5 Å²	76.5	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	18.3	-177.9	-69.7	-31	0	0	0	114.1	Y333	Y333-N335 PolarHBondContact O-N 3.36Å
336	R	72.4	Confident	79.3	Confident	181 Å²	181	70.2 Å²	70.2	68%	0.683	32%	0.322	S	S	*	.			trans	-92.2	-6	-177.4	-65.1	-156.1	-172.3	-148	-0.4	114.5	F332 Y333 D338	F332-R336 PolarHBondContact O-NE 3.04Å; Y333-R336 PolarHBondContact O-N 3.03Å; R336-D338 PolarHBondContact O-N 2.87Å
337	V	72.3	Confident	78.1	Confident	29 Å²	29	71.9 Å²	71.9	18%	0.176	33%	0.333	C	S	.	.			trans	-76.7	114.2	-179.8	-179.7	0	0	0	0	107.8	F339 D597 W600	V337-F339 HydrophobicContact CG1-CB 4.31Å; V337-F339 PolarHBondContact O-N 3.14Å; V337-D597 WeakPolarHBondContact CG2-OD1 3.43Å; V337-W600 HydrophobicContact CG1-CB 3.7Å; V337-W600 HydrophobicContact CG1-CG 3.74Å
338	D	80.8	Confident	77.7	Confident	84 Å²	84	79.6 Å²	79.6	45%	0.449	36%	0.361	S	S	.	.			trans	-76.2	63.7	174.4	-165.3	-5.7	0	0	0	110.2	R336 D340 K341 A342	R336-D338 PolarHBondContact O-N 2.87Å; D338-D340 VanDerWaalsContact C-N 3.29Å; D338-D340 PolarHBondContact O-N 3.26Å; D338-K341 HydrophobicContact CB-CB 4.25Å; D338-K341 PolarHBondContact O-N 3.35Å; D338-K341 WeakPolarHBondContact OD1-CB 3.48Å; D338-K341 PolarHBondContact OD1-N 2.93Å; D338-K341 VanDerWaalsContact OD2-CB 3.24Å; D338-K341 WeakPolarHBondContact OD2-CB 3.34Å; D338-K341 WeakPolarHBondContact OD2-CD 3.39Å; D338-A342 PolarHBondContact O-N 3.28Å; D338-A342 VanDerWaalsContact O-N 3.13Å
339	F	84	Confident	76.9	Confident	15 Å²	15	75.1 Å²	75.1	7%	0.066	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-41.8	-176.4	171.8	-105.2	0	0	0	111.1	V337 K341 A342 M343 Y371 Y375 K596 L599	V337-F339 HydrophobicContact CG1-CB 4.31Å; V337-F339 PolarHBondContact O-N 3.14Å; F339-K341 VanDerWaalsContact C-N 3.35Å; F339-K341 PolarHBondContact O-N 2.93Å; F339-A342 PolarHBondContact O-N 3.12Å; F339-M343 HydrophobicContact CD1-CG 4.22Å; F339-M343 HydrophobicContact CD2-CG 3.8Å; F339-M343 HydrophobicContact CE1-CG 3.81Å; F339-M343 HydrophobicContact CE2-CG 3.32Å; F339-M343 HydrophobicContact CE2-SD 3.81Å; F339-M343 HydrophobicContact CG-CG 4.24Å; F339-M343 HydrophobicContact CZ-CG 3.35Å; F339-M343 HydrophobicContact CZ-SD 4.15Å; F339-M343 WeakPolarHBondContact O-CB 3.15Å; F339-M343 WeakPolarHBondContact O-CG 3.35Å; F339-M343 PolarHBondContact O-N 3.04Å; F339-Y371 HydrophobicContact CE1-CD1 4.13Å; F339-Y371 AromaticContact CE1-CE1 3.77Å; F339-Y371 HydrophobicContact CE1-CE1 3.77Å; F339-Y371 AromaticContact CZ-CD1 3.62Å; F339-Y371 HydrophobicContact CZ-CD1 3.62Å; F339-Y371 HydrophobicContact CZ-CD2 4.33Å; F339-Y371 AromaticContact CZ-CE1 3.62Å; F339-Y371 HydrophobicContact CZ-CE1 3.62Å; F339-Y371 HydrophobicContact CZ-CE2 4.35Å; F339-Y371 AromaticContact CZ-CG 3.97Å; F339-Y371 HydrophobicContact CZ-CG 3.97Å; F339-Y371 AromaticContact CZ-CZ 4Å; F339-Y375 HydrophobicContact CE1-CE2 4.43Å; F339-Y375 HydrophobicContact CZ-CE2 4.32Å; F339-K596 HydrophobicContact CB-CB 4.23Å; F339-K596 HydrophobicContact CB-CD 4.43Å; F339-K596 HydrophobicContact CB-CG 4.38Å; F339-K596 HydrophobicContact CD1-CD 4.26Å; F339-K596 HydrophobicContact CD1-CG 4.01Å; F339-K596 HydrophobicContact CD2-CB 3.44Å; F339-K596 VanDerWaalsContact CD2-CB 3.44Å; F339-K596 HydrophobicContact CD2-CD 4.46Å; F339-K596 HydrophobicContact CD2-CG 3.57Å; F339-K596 HydrophobicContact CE1-CG 4.14Å; F339-K596 HydrophobicContact CE2-CB 3.89Å; F339-K596 HydrophobicContact CE2-CG 3.71Å; F339-K596 HydrophobicContact CG-CB 3.86Å; F339-K596 HydrophobicContact CG-CD 4.12Å; F339-K596 HydrophobicContact CG-CG 3.71Å; F339-K596 HydrophobicContact CZ-CG 3.99Å; F339-L599 HydrophobicContact CD2-CB 4.47Å; F339-L599 HydrophobicContact CE2-CB 3.9Å; F339-L599 HydrophobicContact CE2-CD1 3.83Å; F339-L599 HydrophobicContact CZ-CD1 4.28Å
340	D	80.9	Confident	76.8	Confident	95 Å²	95	80.7 Å²	80.7	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-37.3	-177.9	-72.6	-21.7	0	0	0	111.6	D338 K344	D338-D340 VanDerWaalsContact C-N 3.29Å; D338-D340 PolarHBondContact O-N 3.26Å; D340-K344 WeakPolarHBondContact O-CB 3.34Å; D340-K344 VanDerWaalsContact O-CG 3.25Å; D340-K344 WeakPolarHBondContact O-CG 3.49Å; D340-K344 PolarHBondContact O-N 3.04Å
341	K	83	Confident	77.1	Confident	141 Å²	141	82.9 Å²	82.9	61%	0.613	39%	0.388	S	S	*	.	H	α-helix	trans	-65.3	-47.5	173.2	-175.3	-178.9	177.9	-172.9	0	111.9	D338 F339 M343 K344 H345	D338-K341 HydrophobicContact CB-CB 4.25Å; D338-K341 PolarHBondContact O-N 3.35Å; D338-K341 WeakPolarHBondContact OD1-CB 3.48Å; D338-K341 PolarHBondContact OD1-N 2.93Å; D338-K341 VanDerWaalsContact OD2-CB 3.24Å; D338-K341 WeakPolarHBondContact OD2-CB 3.34Å; D338-K341 WeakPolarHBondContact OD2-CD 3.39Å; F339-K341 VanDerWaalsContact C-N 3.35Å; F339-K341 PolarHBondContact O-N 2.93Å; K341-M343 VanDerWaalsContact C-N 3.32Å; K341-M343 PolarHBondContact O-N 2.73Å; K341-K344 PolarHBondContact O-N 3.37Å; K341-H345 PolarHBondContact O-N 2.66Å; K341-H345 VanDerWaalsContact O-N 3.08Å
342	A	84.8	Confident	77.6	Confident	2 Å²	2	80.8 Å²	80.8	2%	0.017	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-43.6	177.7	0	0	0	0	0	111.3	D338 F339 H345 C346 W600 A604	D338-A342 PolarHBondContact O-N 3.28Å; D338-A342 VanDerWaalsContact O-N 3.13Å; F339-A342 PolarHBondContact O-N 3.12Å; A342-H345 WeakPolarHBondContact O-CB 3.39Å; A342-H345 PolarHBondContact O-N 2.89Å; A342-C346 PolarHBondContact O-N 3.34Å; A342-W600 HydrophobicContact CB-CG 4.35Å; A342-A604 HydrophobicContact CB-CB 4.33Å
343	M	83.9	Confident	78.3	Confident	0 Å²	0	75 Å²	75	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-32.4	177.9	-68.3	-48.5	-64.9	0	0	113.5	F339 K341 H345 C346 S347 Y375 L599 C603	F339-M343 HydrophobicContact CD1-CG 4.22Å; F339-M343 HydrophobicContact CD2-CG 3.8Å; F339-M343 HydrophobicContact CE1-CG 3.81Å; F339-M343 HydrophobicContact CE2-CG 3.32Å; F339-M343 HydrophobicContact CE2-SD 3.81Å; F339-M343 HydrophobicContact CG-CG 4.24Å; F339-M343 HydrophobicContact CZ-CG 3.35Å; F339-M343 HydrophobicContact CZ-SD 4.15Å; F339-M343 WeakPolarHBondContact O-CB 3.15Å; F339-M343 WeakPolarHBondContact O-CG 3.35Å; F339-M343 PolarHBondContact O-N 3.04Å; K341-M343 VanDerWaalsContact C-N 3.32Å; K341-M343 PolarHBondContact O-N 2.73Å; M343-H345 VanDerWaalsContact C-N 3.31Å; M343-C346 HydrophobicContact CE-CB 4.17Å; M343-C346 CarbonylContact O-C 3.54Å; M343-C346 WeakPolarHBondContact O-CA 3.39Å; M343-C346 WeakPolarHBondContact O-CB 3.32Å; M343-C346 PolarHBondContact O-N 3.44Å; M343-C346 HydrophobicContact SD-CB 4.3Å; M343-S347 WeakPolarHBondContact O-CB 3.25Å; M343-S347 PolarHBondContact O-N 3.43Å; M343-Y375 HydrophobicContact CB-CD1 4.23Å; M343-Y375 HydrophobicContact CB-CD2 4.29Å; M343-Y375 HydrophobicContact CB-CE1 3.78Å; M343-Y375 HydrophobicContact CB-CE2 3.81Å; M343-Y375 HydrophobicContact CB-CG 4.47Å; M343-Y375 HydrophobicContact CE-CD1 4.38Å; M343-Y375 HydrophobicContact CE-CD2 3.18Å; M343-Y375 HydrophobicContact CE-CE2 3.72Å; M343-Y375 HydrophobicContact CE-CG 3.56Å; M343-Y375 HydrophobicContact CG-CD2 4.3Å; M343-Y375 HydrophobicContact CG-CE2 3.82Å; M343-L599 HydrophobicContact CE-CD1 4.48Å; M343-L599 HydrophobicContact SD-CB 3.87Å; M343-L599 HydrophobicContact SD-CD1 4.17Å; M343-L599 HydrophobicContact SD-CD2 4.37Å; M343-L599 HydrophobicContact SD-CG 4.34Å; M343-C603 HydrophobicContact SD-CB 4.49Å
344	K	78.2	Confident	79.2	Confident	146 Å²	146	72.3 Å²	72.3	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-41.9	171.3	-82.2	174.5	-175.8	176	0	111	D340 K341 S347 R348	D340-K344 WeakPolarHBondContact O-CB 3.34Å; D340-K344 VanDerWaalsContact O-CG 3.25Å; D340-K344 WeakPolarHBondContact O-CG 3.49Å; D340-K344 PolarHBondContact O-N 3.04Å; K341-K344 PolarHBondContact O-N 3.37Å; K344-S347 WeakPolarHBondContact CA-OG 3.43Å; K344-S347 PolarHBondContact O-N 3.04Å; K344-S347 PolarHBondContact O-OG 2.85Å; K344-R348 PolarHBondContact O-N 3.4Å
345	H	76.3	Confident	80.5	Confident	71 Å²	71	69.2 Å²	69.2	33%	0.329	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-47.7	171.5	-166.5	77.2	0	0	0	110.8	K341 A342 M343 S347 R348	K341-H345 PolarHBondContact O-N 2.66Å; K341-H345 VanDerWaalsContact O-N 3.08Å; A342-H345 WeakPolarHBondContact O-CB 3.39Å; A342-H345 PolarHBondContact O-N 2.89Å; M343-H345 VanDerWaalsContact C-N 3.31Å; H345-S347 PolarHBondContact O-N 2.91Å; H345-R348 WeakPolarHBondContact O-CB 3.39Å; H345-R348 PolarHBondContact O-N 3.15Å; H345-R348 VanDerWaalsContact O-N 3.08Å
346	C	70	Confident	82	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-26.2	174.3	-129.8	0	0	0	0	114.1	A342 M343 R348 L349 W377 C603	A342-C346 PolarHBondContact O-N 3.34Å; M343-C346 HydrophobicContact CE-CB 4.17Å; M343-C346 CarbonylContact O-C 3.54Å; M343-C346 WeakPolarHBondContact O-CA 3.39Å; M343-C346 WeakPolarHBondContact O-CB 3.32Å; M343-C346 PolarHBondContact O-N 3.44Å; M343-C346 HydrophobicContact SD-CB 4.3Å; C346-R348 VanDerWaalsContact C-N 3.34Å; C346-L349 WeakPolarHBondContact O-CA 3.43Å; C346-L349 WeakPolarHBondContact O-CB 3.4Å; C346-L349 PolarHBondContact O-N 3.43Å; C346-L349 VanDerWaalsContact O-N 3.09Å; C346-W377 PolarHBondContact O-NE1 3.19Å; C346-W377 WeakPolarHBondContact SG-CZ2 3.41Å; C346-C603 HydrophobicContact CB-CB 3.47Å; C346-C603 VanDerWaalsContact CB-CB 3.47Å; C346-C603 WeakPolarHBondContact CB-SG 3.43Å; C346-C603 WeakPolarHBondContact SG-CB 3.48Å; C346-C603 CovalentContact SG-SG 2.05Å; C346-C603 PolarHBondContact SG-SG 2.85Å
347	S	60.4	Low	83.2	Confident	35 Å²	35	53.5 Å²	53.5	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-79.9	-16.4	179.2	77.9	0	0	0	0	113	M343 K344 H345 L349 K350	M343-S347 WeakPolarHBondContact O-CB 3.25Å; M343-S347 PolarHBondContact O-N 3.43Å; K344-S347 WeakPolarHBondContact CA-OG 3.43Å; K344-S347 PolarHBondContact O-N 3.04Å; K344-S347 PolarHBondContact O-OG 2.85Å; H345-S347 PolarHBondContact O-N 2.91Å; S347-L349 PolarHBondContact O-N 3.15Å; S347-K350 WeakPolarHBondContact O-CG 3.49Å
348	R	72.2	Confident	84.3	Confident	215 Å²	215	53 Å²	53	81%	0.811	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.1	164.4	-59.7	179.6	104.4	143.1	1.4	111.1	K344 H345 C346	K344-R348 PolarHBondContact O-N 3.4Å; H345-R348 WeakPolarHBondContact O-CB 3.39Å; H345-R348 PolarHBondContact O-N 3.15Å; H345-R348 VanDerWaalsContact O-N 3.08Å; C346-R348 VanDerWaalsContact C-N 3.34Å
349	L	70	Confident	85	Confident	18 Å²	18	49 Å²	49	9%	0.094	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	28.3	-177.7	-43.8	-175.7	0	0	0	113.3	C346 S347 R352 W377 F485	C346-L349 WeakPolarHBondContact O-CA 3.43Å; C346-L349 WeakPolarHBondContact O-CB 3.4Å; C346-L349 PolarHBondContact O-N 3.43Å; C346-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 PolarHBondContact O-N 3.15Å; L349-R352 HydrophobicContact CB-CG 4.23Å; L349-R352 VanDerWaalsContact CD2-CZ 3.42Å; L349-R352 WeakPolarHBondContact O-CB 3.48Å; L349-R352 VanDerWaalsContact O-CG 3.26Å; L349-R352 WeakPolarHBondContact O-CG 3.44Å; L349-R352 PolarHBondContact O-N 3.07Å; L349-W377 HydrophobicContact CB-CH2 4.35Å; L349-W377 HydrophobicContact CB-CZ2 3.7Å; L349-W377 HydrophobicContact CD1-CH2 4.17Å; L349-W377 HydrophobicContact CD1-CZ2 3.8Å; L349-W377 HydrophobicContact CG-CZ2 4.35Å; L349-F485 HydrophobicContact CD1-CD1 4.4Å; L349-F485 HydrophobicContact CD1-CD2 4.04Å; L349-F485 HydrophobicContact CD1-CE1 4.17Å; L349-F485 HydrophobicContact CD1-CE2 3.78Å; L349-F485 HydrophobicContact CD1-CG 4.34Å; L349-F485 HydrophobicContact CD1-CZ 3.85Å
350	K	82.3	Confident	85.5	Confident	156 Å²	156	49.7 Å²	49.7	68%	0.678	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	144.5	177.5	-80	173.6	-176.1	-177.2	0	111.6	S347 R352	S347-K350 WeakPolarHBondContact O-CG 3.49Å; K350-R352 PolarHBondContact O-N 3.09Å
351	G	87.1	Confident	85.9	Confident	46 Å²	46	46.7 Å²	46.7	47%	0.474	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-4.4	179.7	0	0	0	0	0	114.8	G376 N378	G351-G376 PolarHBondContact N-O 3.45Å; G351-N378 PolarHBondContact O-ND2 2.89Å
352	R	92.9	Very high	86	Confident	42 Å²	42	41.8 Å²	41.8	16%	0.158	22%	0.216	C	C	.	.			trans	-74	153.9	173.4	-67	-165.4	-174.1	177.5	-15.7	112.2	L349 K350 W377 N378 H433 D483	L349-R352 HydrophobicContact CB-CG 4.23Å; L349-R352 VanDerWaalsContact CD2-CZ 3.42Å; L349-R352 WeakPolarHBondContact O-CB 3.48Å; L349-R352 VanDerWaalsContact O-CG 3.26Å; L349-R352 WeakPolarHBondContact O-CG 3.44Å; L349-R352 PolarHBondContact O-N 3.07Å; K350-R352 PolarHBondContact O-N 3.09Å; R352-W377 HydrophobicContact CB-CD2 4.3Å; R352-W377 HydrophobicContact CB-CE3 3.73Å; R352-W377 HydrophobicContact CB-CH2 3.9Å; R352-W377 HydrophobicContact CB-CZ2 4.41Å; R352-W377 HydrophobicContact CB-CZ3 3.53Å; R352-W377 WeakPolarHBondContact O-CA 3.28Å; R352-N378 PolarHBondContact O-N 2.83Å; R352-H433 HydrophobicContact CB-CB 3.93Å; R352-H433 WeakPolarHBondContact CD-CD2 3.41Å; R352-H433 HydrophobicContact CG-CB 4.34Å; R352-D483 PolarHBondContact NH2-O 3.22Å
353	T	96	Very high	86.3	Confident	26 Å²	26	42.3 Å²	42.3	16%	0.16	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.6	-178.3	-55	0	0	0	0	111.2	N378 I380 T429 R431 H433 L434	T353-N378 CarbonylContact C-O 3.57Å; T353-N378 WeakPolarHBondContact CA-O 3.31Å; T353-I380 HydrophobicContact CG2-CD1 4.01Å; T353-I380 HydrophobicContact CG2-CG1 4.22Å; T353-T429 HydrophobicContact CG2-CG2 4.13Å; T353-R431 WeakPolarHBondContact CB-O 3.2Å; T353-H433 PolarHBondContact N-ND1 2.69Å; T353-H433 VanDerWaalsContact N-ND1 3.11Å; T353-H433 PolarHBondContact O-N 2.94Å; T353-L434 PolarHBondContact O-N 2.91Å
354	A	97.1	Very high	86.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	170.8	0	0	0	0	0	111.3	L372 W377 N378 V379 I380 L434	A354-L372 HydrophobicContact CB-CD1 3.82Å; A354-L372 HydrophobicContact CB-CD2 4.41Å; A354-W377 HydrophobicContact CB-CE3 3.75Å; A354-W377 HydrophobicContact CB-CZ3 4.22Å; A354-N378 PolarHBondContact N-O 3.06Å; A354-V379 CarbonylContact O-C 3.59Å; A354-V379 WeakPolarHBondContact O-CA 3.46Å; A354-I380 PolarHBondContact O-N 3.22Å; A354-L434 CarbonylContact C-O 3.46Å; A354-L434 WeakPolarHBondContact CA-O 3.32Å; A354-L434 HydrophobicContact CB-CB 4.12Å; A354-L434 HydrophobicContact CB-CD2 4.45Å; A354-L434 HydrophobicContact CB-CG 4.48Å
355	L	98.5	Very high	87.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.2	170.2	173.7	63.8	0	0	0	109.2	I380 I425 I432 L434 F435 I436 L472	L355-I380 CarbonylContact C-O 3.56Å; L355-I380 WeakPolarHBondContact CA-O 3.35Å; L355-I380 HydrophobicContact CD1-CB 3.85Å; L355-I380 HydrophobicContact CD1-CG2 3.68Å; L355-I425 HydrophobicContact CD1-CD1 3.86Å; L355-I425 HydrophobicContact CD2-CD1 3.86Å; L355-I432 HydrophobicContact CB-CD1 4.4Å; L355-I432 HydrophobicContact CB-CG2 4.08Å; L355-I432 HydrophobicContact CD2-CD1 4.13Å; L355-L434 PolarHBondContact N-O 2.83Å; L355-F435 HydrophobicContact CB-CD2 4Å; L355-F435 HydrophobicContact CD2-CD2 3.63Å; L355-F435 HydrophobicContact CD2-CE2 3.77Å; L355-F435 HydrophobicContact CD2-CG 4.28Å; L355-F435 HydrophobicContact CD2-CZ 4.48Å; L355-F435 HydrophobicContact CG-CD2 3.75Å; L355-F435 HydrophobicContact CG-CE2 4.03Å; L355-I436 PolarHBondContact O-N 2.89Å; L355-L472 HydrophobicContact CD2-CD1 3.36Å
356	V	98.3	Very high	88.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.3	178.4	-175.9	0	0	0	0	110	L368 L372 V379 I380 C382 I436	V356-L368 HydrophobicContact CG1-CB 4.24Å; V356-L368 HydrophobicContact CG1-CD1 4.27Å; V356-L372 HydrophobicContact CG2-CD1 3.83Å; V356-V379 HydrophobicContact CG2-CG1 4.26Å; V356-I380 PolarHBondContact N-O 3.45Å; V356-C382 PolarHBondContact O-N 3.36Å; V356-I436 HydrophobicContact CG2-CB 4.41Å; V356-I436 HydrophobicContact CG2-CD1 4.26Å
357	T	98.1	Very high	89.7	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.2	172.3	61.6	0	0	0	0	111.6	F435 I436 S437 N438 A439 L468	T357-F435 HydrophobicContact CG2-CE2 3.95Å; T357-F435 HydrophobicContact CG2-CZ 4.47Å; T357-I436 PolarHBondContact N-O 2.89Å; T357-I436 VanDerWaalsContact N-O 3.15Å; T357-S437 WeakPolarHBondContact OG1-CA 3.32Å; T357-N438 WeakPolarHBondContact O-CB 3.29Å; T357-N438 PolarHBondContact O-ND2 2.9Å; T357-N438 PolarHBondContact OG1-N 2.71Å; T357-A439 PolarHBondContact O-N 2.57Å; T357-A439 PolarHBondContact OG1-N 2.85Å; T357-A439 VanDerWaalsContact OG1-N 3.09Å; T357-L468 HydrophobicContact CG2-CD1 3.89Å
358	G	95.7	Very high	91.3	Very high	18 Å²	18	32.7 Å²	32.7	19%	0.186	18%	0.175	C	C	.	.			trans	70.2	43.5	178.5	0	0	0	0	0	112.8	D360 G365 C382 N438	G358-D360 PolarHBondContact O-N 2.86Å; G358-G365 WeakPolarHBondContact O-CA 3.31Å; G358-C382 PolarHBondContact N-O 2.86Å; G358-C382 VanDerWaalsContact N-O 3.15Å; G358-N438 PolarHBondContact O-ND2 3.16Å
359	A	95.7	Very high	92.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.137	C	C	.	.			trans	-81	11.9	-178.4	0	0	0	0	0	114.1	S366 A381 C382	A359-S366 WeakPolarHBondContact O-CB 3.37Å; A359-S366 PolarHBondContact O-OG 2.81Å; A359-A381 HydrophobicContact CB-CB 3.65Å; A359-C382 PolarHBondContact N-O 2.83Å
360	D	93.4	Very high	93.4	Very high	30 Å²	30	24.3 Å²	24.3	16%	0.16	14%	0.142	C	C	.	.			trans	-53.1	143.3	-179.6	-59	-41.6	0	0	0	112.2	G358 G362 G363 S366 C383 I384 Q388	G358-D360 PolarHBondContact O-N 2.86Å; D360-G362 PolarHBondContact O-N 2.99Å; D360-G363 PolarHBondContact O-N 2.9Å; D360-G363 VanDerWaalsContact O-N 3.07Å; D360-S366 WeakPolarHBondContact O-CB 3.45Å; D360-C383 VanDerWaalsContact OD1-CA 3.29Å; D360-C383 WeakPolarHBondContact OD1-CA 3.35Å; D360-C383 WeakPolarHBondContact OD1-CB 3.27Å; D360-I384 PolarHBondContact OD1-N 3.23Å; D360-I384 WeakPolarHBondContact OD2-CG2 3.34Å; D360-Q388 HydrophobicContact CB-CB 4.43Å; D360-Q388 HydrophobicContact CB-CG 4.09Å; D360-Q388 WeakPolarHBondContact OD1-CB 3.23Å; D360-Q388 WeakPolarHBondContact OD1-CG 3.43Å
361	L	89.5	Confident	93.9	Very high	32 Å²	32	17.6 Å²	17.6	17%	0.168	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	134.4	-177.4	-168.7	71.1	0	0	0	110.9	G363 Q391 V392 R395 R566	L361-G363 VanDerWaalsContact C-N 3.35Å; L361-Q391 HydrophobicContact CB-CB 4.43Å; L361-Q391 HydrophobicContact CD2-CB 4.09Å; L361-V392 HydrophobicContact CB-CG2 4.32Å; L361-R395 HydrophobicContact CD1-CB 4.22Å; L361-R395 HydrophobicContact CD1-CG 4.26Å; L361-R566 WeakPolarHBondContact O-CD 3.5Å; L361-R566 PolarHBondContact O-NH1 2.98Å
362	G	85.6	Confident	94.1	Very high	39 Å²	39	15.4 Å²	15.4	40%	0.402	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	5.7	-176.1	0	0	0	0	0	114.8	D360	D360-G362 PolarHBondContact O-N 2.99Å
363	G	91.2	Very high	94	Very high	13 Å²	13	13.5 Å²	13.5	13%	0.134	8%	0.083	C	C	.	.	S	Bend	trans	-100.9	169.7	169.4	0	0	0	0	0	113.5	D360 L361 G365 S366	D360-G363 PolarHBondContact O-N 2.9Å; D360-G363 VanDerWaalsContact O-N 3.07Å; L361-G363 VanDerWaalsContact C-N 3.35Å; G363-G365 VanDerWaalsContact C-N 3.33Å; G363-S366 PolarHBondContact O-N 2.88Å
364	I	95.1	Very high	93.6	Very high	19 Å²	19	20 Å²	20	10%	0.097	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-43.9	173.9	-60.6	170.7	0	0	0	110.2	S366 E367 L368 P560 A563 T591 A594 A595 V598	I364-S366 PolarHBondContact O-N 2.65Å; I364-E367 WeakPolarHBondContact O-CA 3.34Å; I364-E367 PolarHBondContact O-N 3.32Å; I364-L368 HydrophobicContact CG2-CD1 4.02Å; I364-L368 HydrophobicContact CG2-CG 4.19Å; I364-L368 WeakPolarHBondContact O-CG 3.15Å; I364-L368 PolarHBondContact O-N 3.38Å; I364-P560 HydrophobicContact CD1-CB 4.09Å; I364-P560 HydrophobicContact CD1-CG 3.85Å; I364-A563 HydrophobicContact CD1-CB 4.01Å; I364-A563 HydrophobicContact CG1-CB 4.23Å; I364-T591 HydrophobicContact CG1-CG2 4.37Å; I364-A594 HydrophobicContact CD1-CB 3.75Å; I364-A594 HydrophobicContact CG1-CB 3.89Å; I364-A594 HydrophobicContact CG2-CB 4.44Å; I364-A595 HydrophobicContact CG2-CB 4.08Å; I364-V598 HydrophobicContact CG2-CG2 4.31Å
365	G	95.7	Very high	93.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.3	-38.9	176.6	0	0	0	0	0	114	G358 G363 E367 L368 T369 N438	G358-G365 WeakPolarHBondContact O-CA 3.31Å; G363-G365 VanDerWaalsContact C-N 3.33Å; G365-E367 PolarHBondContact O-N 2.83Å; G365-L368 WeakPolarHBondContact O-CB 3.25Å; G365-L368 PolarHBondContact O-N 3.42Å; G365-T369 PolarHBondContact O-N 2.96Å; G365-T369 PolarHBondContact O-OG1 2.87Å; G365-T369 VanDerWaalsContact O-OG1 3.1Å; G365-N438 WeakPolarHBondContact CA-ND2 3.45Å; G365-N438 PolarHBondContact N-ND2 2.93Å
366	S	93.9	Very high	92.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-42.6	176.6	-153.4	0	0	0	0	111.8	A359 D360 G363 I364 T369 R370 R396	A359-S366 WeakPolarHBondContact O-CB 3.37Å; A359-S366 PolarHBondContact O-OG 2.81Å; D360-S366 WeakPolarHBondContact O-CB 3.45Å; G363-S366 PolarHBondContact O-N 2.88Å; I364-S366 PolarHBondContact O-N 2.65Å; S366-T369 WeakPolarHBondContact O-CB 3.27Å; S366-T369 PolarHBondContact O-N 3.27Å; S366-R370 PolarHBondContact O-N 3.15Å; S366-R396 PolarHBondContact O-NE 2.99Å; S366-R396 PolarHBondContact O-NH2 3.46Å; S366-R396 PolarHBondContact OG-NE 3.43Å; S366-R396 PolarHBondContact OG-NH2 3Å
367	E	94.3	Very high	92.5	Very high	30 Å²	30	22.9 Å²	22.9	14%	0.14	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-33.8	178.2	-69.1	-57	110.5	0	0	112.1	I364 G365 R370 Y371 R396 A595	I364-E367 WeakPolarHBondContact O-CA 3.34Å; I364-E367 PolarHBondContact O-N 3.32Å; G365-E367 PolarHBondContact O-N 2.83Å; E367-R370 VanDerWaalsContact O-CB 3.3Å; E367-R370 WeakPolarHBondContact O-CB 3.4Å; E367-R370 PolarHBondContact O-N 3.02Å; E367-R370 IonicContact OE1-NE 2.72Å; E367-R370 IonicContact OE2-CZ 2.76Å; E367-R370 IonicContact OE2-NE 3.18Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 2.64Å; E367-R370 PolarHBondContact OE2-NH2 3.28Å; E367-Y371 VanDerWaalsContact O-CD2 3.24Å; E367-Y371 WeakPolarHBondContact O-CD2 3.08Å; E367-Y371 PolarHBondContact O-N 2.85Å; E367-R396 IonicContact OE1-CZ 2.84Å; E367-R396 IonicContact OE1-NH2 3.49Å; E367-R396 PolarHBondContact OE1-NH2 2.68Å; E367-A595 HydrophobicContact CB-CB 3.67Å
368	L	95.1	Very high	92.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-50.8	169	-66.1	169.3	0	0	0	111.1	V356 I364 G365 R370 Y371 L372 I436 N438 A595 V598 L599	V356-L368 HydrophobicContact CG1-CB 4.24Å; V356-L368 HydrophobicContact CG1-CD1 4.27Å; I364-L368 HydrophobicContact CG2-CD1 4.02Å; I364-L368 HydrophobicContact CG2-CG 4.19Å; I364-L368 WeakPolarHBondContact O-CG 3.15Å; I364-L368 PolarHBondContact O-N 3.38Å; G365-L368 WeakPolarHBondContact O-CB 3.25Å; G365-L368 PolarHBondContact O-N 3.42Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 2.83Å; L368-Y371 PolarHBondContact O-N 3.5Å; L368-L372 WeakPolarHBondContact O-CB 3.44Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 3.28Å; L368-I436 HydrophobicContact CD1-CD1 4.29Å; L368-I436 HydrophobicContact CD1-CG2 3.99Å; L368-I436 HydrophobicContact CD2-CD1 4.24Å; L368-N438 HydrophobicContact CD1-CB 4.14Å; L368-A595 HydrophobicContact CD2-CB 3.84Å; L368-A595 WeakPolarHBondContact CD2-O 3.45Å; L368-A595 HydrophobicContact CG-CB 4Å; L368-V598 HydrophobicContact CD1-CB 4.45Å; L368-V598 HydrophobicContact CD1-CG1 3.97Å; L368-V598 HydrophobicContact CD2-CB 3.83Å; L368-V598 HydrophobicContact CD2-CG1 3.8Å; L368-L599 HydrophobicContact CD2-CD1 4.03Å; L368-L599 HydrophobicContact CD2-CD2 4.03Å; L368-L599 HydrophobicContact CD2-CG 3.57Å
369	T	94.2	Very high	92.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-56.2	-42.8	174.4	-58.8	0	0	0	0	111.5	G365 S366 I373 V379 A381 L405	G365-T369 PolarHBondContact O-N 2.96Å; G365-T369 PolarHBondContact O-OG1 2.87Å; G365-T369 VanDerWaalsContact O-OG1 3.1Å; S366-T369 WeakPolarHBondContact O-CB 3.27Å; S366-T369 PolarHBondContact O-N 3.27Å; T369-I373 HydrophobicContact CG2-CD1 3.71Å; T369-I373 HydrophobicContact CG2-CG1 4.46Å; T369-I373 WeakPolarHBondContact O-CD1 3.41Å; T369-I373 VanDerWaalsContact O-CG1 3.25Å; T369-I373 WeakPolarHBondContact O-CG1 3.43Å; T369-I373 PolarHBondContact O-N 3.23Å; T369-V379 HydrophobicContact CG2-CB 4.44Å; T369-V379 HydrophobicContact CG2-CG1 3.91Å; T369-A381 HydrophobicContact CG2-CB 4.14Å; T369-L405 HydrophobicContact CG2-CD1 3.67Å
370	R	92.2	Very high	92.3	Very high	56 Å²	56	24.8 Å²	24.8	21%	0.211	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-53	177.3	-164.9	175.6	53.2	81.6	1.3	112.1	S366 E367 L368 R374 R396 L399 S592	S366-R370 PolarHBondContact O-N 3.15Å; E367-R370 VanDerWaalsContact O-CB 3.3Å; E367-R370 WeakPolarHBondContact O-CB 3.4Å; E367-R370 PolarHBondContact O-N 3.02Å; E367-R370 IonicContact OE1-NE 2.72Å; E367-R370 IonicContact OE2-CZ 2.76Å; E367-R370 IonicContact OE2-NE 3.18Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 2.64Å; E367-R370 PolarHBondContact OE2-NH2 3.28Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 2.83Å; R370-R374 WeakPolarHBondContact O-CB 3.45Å; R370-R374 PolarHBondContact O-N 2.89Å; R370-R396 VanDerWaalsContact CD-NH1 3.32Å; R370-L399 HydrophobicContact CG-CD1 3.81Å; R370-S592 PolarHBondContact NH2-OG 2.87Å; R370-S592 VanDerWaalsContact NH2-OG 3.16Å
371	Y	91.7	Very high	92.5	Very high	16 Å²	16	23.4 Å²	23.4	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-47.4	-176.1	-81.4	-62.8	0	0	0	110.9	F339 E367 L368 I373 R374 Y375 S592 A595 K596 L599	F339-Y371 HydrophobicContact CE1-CD1 4.13Å; F339-Y371 AromaticContact CE1-CE1 3.77Å; F339-Y371 HydrophobicContact CE1-CE1 3.77Å; F339-Y371 AromaticContact CZ-CD1 3.62Å; F339-Y371 HydrophobicContact CZ-CD1 3.62Å; F339-Y371 HydrophobicContact CZ-CD2 4.33Å; F339-Y371 AromaticContact CZ-CE1 3.62Å; F339-Y371 HydrophobicContact CZ-CE1 3.62Å; F339-Y371 HydrophobicContact CZ-CE2 4.35Å; F339-Y371 AromaticContact CZ-CG 3.97Å; F339-Y371 HydrophobicContact CZ-CG 3.97Å; F339-Y371 AromaticContact CZ-CZ 4Å; E367-Y371 VanDerWaalsContact O-CD2 3.24Å; E367-Y371 WeakPolarHBondContact O-CD2 3.08Å; E367-Y371 PolarHBondContact O-N 2.85Å; L368-Y371 PolarHBondContact O-N 3.5Å; Y371-I373 VanDerWaalsContact C-N 3.34Å; Y371-I373 PolarHBondContact O-N 3.31Å; Y371-R374 WeakPolarHBondContact O-CB 3.36Å; Y371-R374 PolarHBondContact O-N 3.5Å; Y371-Y375 HydrophobicContact CD1-CE2 4.12Å; Y371-Y375 VanDerWaalsContact O-CD2 3.22Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.13Å; Y371-Y375 PolarHBondContact O-N 3.26Å; Y371-S592 WeakPolarHBondContact CE2-OG 3.39Å; Y371-S592 PolarHBondContact OH-OG 2.78Å; Y371-A595 HydrophobicContact CD2-CB 4.31Å; Y371-A595 HydrophobicContact CE2-CB 4.43Å; Y371-K596 HydrophobicContact CE2-CG 4.36Å; Y371-K596 WeakPolarHBondContact OH-CE 3.35Å; Y371-L599 HydrophobicContact CD2-CD1 3.89Å; Y371-L599 HydrophobicContact CG-CD1 3.87Å
372	L	92.3	Very high	92.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.5	-47	178.6	-71.5	166.8	0	0	0	111.6	A354 V356 L368 R374 Y375 G376 W377 V379 L434 I436 L599	A354-L372 HydrophobicContact CB-CD1 3.82Å; A354-L372 HydrophobicContact CB-CD2 4.41Å; V356-L372 HydrophobicContact CG2-CD1 3.83Å; L368-L372 WeakPolarHBondContact O-CB 3.44Å; L368-L372 VanDerWaalsContact O-CG 3.29Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 3.28Å; L372-R374 PolarHBondContact O-N 3.26Å; L372-Y375 CarbonylContact O-C 3.4Å; L372-Y375 PolarHBondContact O-N 3Å; L372-G376 PolarHBondContact O-N 3.31Å; L372-W377 HydrophobicContact CB-CB 4.05Å; L372-W377 HydrophobicContact CB-CG 4.34Å; L372-W377 HydrophobicContact CD2-CB 4.48Å; L372-W377 HydrophobicContact CD2-CD2 4.01Å; L372-W377 HydrophobicContact CD2-CG 3.95Å; L372-W377 WeakPolarHBondContact O-CB 3.47Å; L372-W377 PolarHBondContact O-N 3.34Å; L372-V379 HydrophobicContact CB-CG2 3.54Å; L372-V379 HydrophobicContact CD1-CG2 4.43Å; L372-L434 HydrophobicContact CD2-CD2 4.07Å; L372-I436 HydrophobicContact CD1-CD1 4.21Å; L372-L599 HydrophobicContact CD2-CD2 3.81Å; L372-L599 HydrophobicContact CG-CD2 3.98Å
373	I	90.6	Very high	93.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-44.8	175.1	-61.8	163.4	0	0	0	110.7	T369 Y371 Y375 G376 V379 L399 R404 L405	T369-I373 HydrophobicContact CG2-CD1 3.71Å; T369-I373 HydrophobicContact CG2-CG1 4.46Å; T369-I373 WeakPolarHBondContact O-CD1 3.41Å; T369-I373 VanDerWaalsContact O-CG1 3.25Å; T369-I373 WeakPolarHBondContact O-CG1 3.43Å; T369-I373 PolarHBondContact O-N 3.23Å; Y371-I373 VanDerWaalsContact C-N 3.34Å; Y371-I373 PolarHBondContact O-N 3.31Å; I373-Y375 PolarHBondContact O-N 3.44Å; I373-G376 PolarHBondContact O-N 3.2Å; I373-V379 HydrophobicContact CG1-CB 4.2Å; I373-V379 HydrophobicContact CG1-CG2 3.73Å; I373-L399 HydrophobicContact CD1-CB 4.37Å; I373-L399 HydrophobicContact CG2-CB 3.98Å; I373-L399 HydrophobicContact CG2-CD2 4.3Å; I373-R404 PolarHBondContact O-NH1 3.31Å; I373-R404 PolarHBondContact O-NH2 3.46Å; I373-L405 HydrophobicContact CD1-CB 3.84Å; I373-L405 HydrophobicContact CD1-CD1 4.1Å; I373-L405 HydrophobicContact CD1-CD2 3.97Å; I373-L405 HydrophobicContact CD1-CG 4.18Å
374	R	88.3	Confident	93.5	Very high	164 Å²	164	22.4 Å²	22.4	62%	0.619	10%	0.101	S	C	*	.	H	α-helix	trans	-56.6	-34.8	178	-176.2	180	179	-174	1.1	112.4	R370 Y371 L372	R370-R374 WeakPolarHBondContact O-CB 3.45Å; R370-R374 PolarHBondContact O-N 2.89Å; Y371-R374 WeakPolarHBondContact O-CB 3.36Å; Y371-R374 PolarHBondContact O-N 3.5Å; L372-R374 PolarHBondContact O-N 3.26Å
375	Y	89	Confident	93.3	Very high	46 Å²	46	23.2 Å²	23.2	18%	0.18	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.6	-179.6	-76	-77.5	0	0	0	114.8	F339 M343 Y371 L372 I373	F339-Y375 HydrophobicContact CE1-CE2 4.43Å; F339-Y375 HydrophobicContact CZ-CE2 4.32Å; M343-Y375 HydrophobicContact CB-CD1 4.23Å; M343-Y375 HydrophobicContact CB-CD2 4.29Å; M343-Y375 HydrophobicContact CB-CE1 3.78Å; M343-Y375 HydrophobicContact CB-CE2 3.81Å; M343-Y375 HydrophobicContact CB-CG 4.47Å; M343-Y375 HydrophobicContact CE-CD1 4.38Å; M343-Y375 HydrophobicContact CE-CD2 3.18Å; M343-Y375 HydrophobicContact CE-CE2 3.72Å; M343-Y375 HydrophobicContact CE-CG 3.56Å; M343-Y375 HydrophobicContact CG-CD2 4.3Å; M343-Y375 HydrophobicContact CG-CE2 3.82Å; Y371-Y375 HydrophobicContact CD1-CE2 4.12Å; Y371-Y375 VanDerWaalsContact O-CD2 3.22Å; Y371-Y375 WeakPolarHBondContact O-CD2 3.13Å; Y371-Y375 PolarHBondContact O-N 3.26Å; L372-Y375 CarbonylContact O-C 3.4Å; L372-Y375 PolarHBondContact O-N 3Å; I373-Y375 PolarHBondContact O-N 3.44Å
376	G	89	Confident	93	Very high	13 Å²	13	29.9 Å²	29.9	13%	0.134	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	12.9	169.7	0	0	0	0	0	116	G351 L372 I373	G351-G376 PolarHBondContact N-O 3.45Å; L372-G376 PolarHBondContact O-N 3.31Å; I373-G376 PolarHBondContact O-N 3.2Å
377	W	92.3	Very high	93	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-81.6	152	176.2	-68.9	66.7	0	0	0	112.1	C346 L349 R352 A354 L372 V379 R404 H433 L434 F485	C346-W377 PolarHBondContact O-NE1 3.19Å; C346-W377 WeakPolarHBondContact SG-CZ2 3.41Å; L349-W377 HydrophobicContact CB-CH2 4.35Å; L349-W377 HydrophobicContact CB-CZ2 3.7Å; L349-W377 HydrophobicContact CD1-CH2 4.17Å; L349-W377 HydrophobicContact CD1-CZ2 3.8Å; L349-W377 HydrophobicContact CG-CZ2 4.35Å; R352-W377 HydrophobicContact CB-CD2 4.3Å; R352-W377 HydrophobicContact CB-CE3 3.73Å; R352-W377 HydrophobicContact CB-CH2 3.9Å; R352-W377 HydrophobicContact CB-CZ2 4.41Å; R352-W377 HydrophobicContact CB-CZ3 3.53Å; R352-W377 WeakPolarHBondContact O-CA 3.28Å; A354-W377 HydrophobicContact CB-CE3 3.75Å; A354-W377 HydrophobicContact CB-CZ3 4.22Å; L372-W377 HydrophobicContact CB-CB 4.05Å; L372-W377 HydrophobicContact CB-CG 4.34Å; L372-W377 HydrophobicContact CD2-CB 4.48Å; L372-W377 HydrophobicContact CD2-CD2 4.01Å; L372-W377 HydrophobicContact CD2-CG 3.95Å; L372-W377 WeakPolarHBondContact O-CB 3.47Å; L372-W377 PolarHBondContact O-N 3.34Å; W377-V379 HydrophobicContact CB-CG2 4.19Å; W377-R404 PolarHBondContact O-NH1 3.35Å; W377-H433 HydrophobicContact CH2-CB 4.37Å; W377-H433 HydrophobicContact CZ3-CB 3.97Å; W377-L434 HydrophobicContact CH2-CB 4.13Å; W377-L434 HydrophobicContact CZ3-CB 3.78Å; W377-F485 AromaticContact CH2-CE1 3.88Å; W377-F485 HydrophobicContact CH2-CE1 3.88Å; W377-F485 HydrophobicContact CH2-CZ 4.48Å
378	N	93.8	Very high	92.9	Very high	55 Å²	55	33.1 Å²	33.1	29%	0.294	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129	159	-61.6	-41.3	0	0	0	107.8	G351 R352 T353 A354 R404	G351-N378 PolarHBondContact O-ND2 2.89Å; R352-N378 PolarHBondContact O-N 2.83Å; T353-N378 CarbonylContact C-O 3.57Å; T353-N378 WeakPolarHBondContact CA-O 3.31Å; A354-N378 PolarHBondContact N-O 3.06Å; N378-R404 CarbonylContact C-O 3.59Å; N378-R404 WeakPolarHBondContact CA-O 3.37Å; N378-R404 VanDerWaalsContact OD1-CG 3.27Å; N378-R404 WeakPolarHBondContact OD1-CG 3.37Å
379	V	94.9	Very high	92.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122	-174	-173.3	0	0	0	0	110.6	A354 V356 T369 L372 I373 W377 A381 R404 L405 Q406	A354-V379 CarbonylContact O-C 3.59Å; A354-V379 WeakPolarHBondContact O-CA 3.46Å; V356-V379 HydrophobicContact CG2-CG1 4.26Å; T369-V379 HydrophobicContact CG2-CB 4.44Å; T369-V379 HydrophobicContact CG2-CG1 3.91Å; L372-V379 HydrophobicContact CB-CG2 3.54Å; L372-V379 HydrophobicContact CD1-CG2 4.43Å; I373-V379 HydrophobicContact CG1-CB 4.2Å; I373-V379 HydrophobicContact CG1-CG2 3.73Å; W377-V379 HydrophobicContact CB-CG2 4.19Å; V379-A381 HydrophobicContact CG1-CB 4.35Å; V379-R404 PolarHBondContact N-O 2.82Å; V379-L405 HydrophobicContact CB-CD1 4.43Å; V379-L405 WeakPolarHBondContact O-CA 3.16Å; V379-Q406 PolarHBondContact O-N 2.99Å
380	I	96.8	Very high	92.5	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.3	164.6	-52.4	174.7	0	0	0	106.5	T353 A354 L355 V356 Q406 L408 T429	T353-I380 HydrophobicContact CG2-CD1 4.01Å; T353-I380 HydrophobicContact CG2-CG1 4.22Å; A354-I380 PolarHBondContact O-N 3.22Å; L355-I380 CarbonylContact C-O 3.56Å; L355-I380 WeakPolarHBondContact CA-O 3.35Å; L355-I380 HydrophobicContact CD1-CB 3.85Å; L355-I380 HydrophobicContact CD1-CG2 3.68Å; V356-I380 PolarHBondContact N-O 3.45Å; I380-Q406 CarbonylContact C-O 3.55Å; I380-Q406 WeakPolarHBondContact CA-O 3.2Å; I380-Q406 HydrophobicContact CG1-CB 4.48Å; I380-L408 HydrophobicContact CG2-CD1 3.55Å; I380-L408 HydrophobicContact CG2-CG 4.1Å; I380-T429 HydrophobicContact CD1-CG2 4.03Å; I380-T429 VanDerWaalsContact CD1-OG1 3.29Å; I380-T429 WeakPolarHBondContact CD1-OG1 3.33Å
381	A	96.3	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.3	-175.8	0	0	0	0	0	110.2	A359 T369 V379 L405 Q406 L407 L408	A359-A381 HydrophobicContact CB-CB 3.65Å; T369-A381 HydrophobicContact CG2-CB 4.14Å; V379-A381 HydrophobicContact CG1-CB 4.35Å; A381-L405 HydrophobicContact CB-CD1 3.85Å; A381-Q406 PolarHBondContact N-O 3.36Å; A381-L407 HydrophobicContact CB-CD2 3.89Å; A381-L407 WeakPolarHBondContact O-CA 3.46Å; A381-L408 PolarHBondContact O-N 2.98Å
382	C	97.5	Very high	92.2	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.4	179.4	-53.5	0	0	0	0	110.8	V356 G358 A359 L408	V356-C382 PolarHBondContact O-N 3.36Å; G358-C382 PolarHBondContact N-O 2.86Å; G358-C382 VanDerWaalsContact N-O 3.15Å; A359-C382 PolarHBondContact N-O 2.83Å; C382-L408 CarbonylContact C-O 3.59Å; C382-L408 VanDerWaalsContact CA-O 3.25Å; C382-L408 WeakPolarHBondContact CA-O 3.5Å
383	C	96.3	Very high	91.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.3	178.4	-56.1	0	0	0	0	111	D360 S385 Q388 M389 L408 Y409 C410	D360-C383 VanDerWaalsContact OD1-CA 3.29Å; D360-C383 WeakPolarHBondContact OD1-CA 3.35Å; D360-C383 WeakPolarHBondContact OD1-CB 3.27Å; C383-S385 VanDerWaalsContact C-N 3.31Å; C383-S385 PolarHBondContact O-N 2.77Å; C383-Q388 HydrophobicContact CB-CB 3.99Å; C383-M389 HydrophobicContact CB-CG 3.61Å; C383-L408 PolarHBondContact N-O 2.92Å; C383-Y409 WeakPolarHBondContact O-CA 3.43Å; C383-C410 PolarHBondContact O-N 3.44Å
384	I	93.7	Very high	91.7	Very high	59 Å²	59	50.9 Å²	50.9	30%	0.303	26%	0.255	S	S	.	.	S	Bend	trans	-78.5	-12	-175.7	-160.3	169.4	0	0	0	113.7	D360 Q388 Y409 D411	D360-I384 PolarHBondContact OD1-N 3.23Å; D360-I384 WeakPolarHBondContact OD2-CG2 3.34Å; I384-Q388 HydrophobicContact CG2-CG 4.22Å; I384-Y409 WeakPolarHBondContact O-CE2 3.35Å; I384-D411 HydrophobicContact CG1-CB 4.42Å
385	S	91.3	Very high	91.6	Very high	36 Å²	36	52 Å²	52	25%	0.252	26%	0.26	S	S	.	.	S	Bend	trans	-155.6	157.2	177.4	73.5	0	0	0	0	112.3	C383 T387 Q388 M389	C383-S385 VanDerWaalsContact C-N 3.31Å; C383-S385 PolarHBondContact O-N 2.77Å; S385-T387 PolarHBondContact O-N 2.98Å; S385-Q388 WeakPolarHBondContact O-CB 3.36Å; S385-Q388 PolarHBondContact O-N 3.44Å; S385-Q388 PolarHBondContact OG-N 3.04Å; S385-M389 PolarHBondContact O-N 2.7Å
386	E	90	Very high	91.3	Very high	139 Å²	139	50.5 Å²	50.5	65%	0.65	25%	0.254	S	S	*	.	H	α-helix	trans	-58	-36.5	172.3	-63.4	-170.6	167.5	0	0	112.3	Q388 M389 N390	E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 2.76Å; E386-M389 HydrophobicContact CB-CE 4.14Å; E386-M389 HydrophobicContact CG-CE 3.77Å; E386-M389 WeakPolarHBondContact O-CB 3.43Å; E386-M389 PolarHBondContact O-N 3.33Å; E386-N390 PolarHBondContact O-N 2.86Å; E386-N390 PolarHBondContact O-ND2 2.65Å
387	T	92.7	Very high	90.6	Very high	88 Å²	88	52.5 Å²	52.5	54%	0.54	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-43.3	173.8	-45	0	0	0	0	111.6	S385 N390 Q391	S385-T387 PolarHBondContact O-N 2.98Å; T387-N390 PolarHBondContact O-N 3.43Å; T387-Q391 VanDerWaalsContact O-CG 3.29Å; T387-Q391 WeakPolarHBondContact O-CG 3.48Å; T387-Q391 PolarHBondContact O-N 2.67Å
388	Q	92	Very high	89.7	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-41	175.8	-73.7	-57.5	-51	0	0	111.8	D360 C383 I384 S385 E386 N390 Q391 V392	D360-Q388 HydrophobicContact CB-CB 4.43Å; D360-Q388 HydrophobicContact CB-CG 4.09Å; D360-Q388 WeakPolarHBondContact OD1-CB 3.23Å; D360-Q388 WeakPolarHBondContact OD1-CG 3.43Å; C383-Q388 HydrophobicContact CB-CB 3.99Å; I384-Q388 HydrophobicContact CG2-CG 4.22Å; S385-Q388 WeakPolarHBondContact O-CB 3.36Å; S385-Q388 PolarHBondContact O-N 3.44Å; S385-Q388 PolarHBondContact OG-N 3.04Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 2.76Å; Q388-N390 VanDerWaalsContact C-N 3.35Å; Q388-N390 PolarHBondContact O-N 3.39Å; Q388-Q391 PolarHBondContact O-N 2.64Å; Q388-V392 WeakPolarHBondContact O-CG2 3.36Å; Q388-V392 PolarHBondContact O-N 3.44Å
389	M	91.7	Very high	88.5	Confident	30 Å²	30	56.2 Å²	56.2	15%	0.148	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-47.6	174.6	-68.1	-165.2	-68.6	0	0	111.4	C383 S385 E386 Q391 V392 K393 L407 Y409	C383-M389 HydrophobicContact CB-CG 3.61Å; S385-M389 PolarHBondContact O-N 2.7Å; E386-M389 HydrophobicContact CB-CE 4.14Å; E386-M389 HydrophobicContact CG-CE 3.77Å; E386-M389 WeakPolarHBondContact O-CB 3.43Å; E386-M389 PolarHBondContact O-N 3.33Å; M389-Q391 VanDerWaalsContact C-N 3.35Å; M389-Q391 PolarHBondContact O-N 2.92Å; M389-V392 PolarHBondContact O-N 3.45Å; M389-K393 WeakPolarHBondContact O-CB 3.29Å; M389-K393 PolarHBondContact O-N 3.33Å; M389-L407 HydrophobicContact CB-CB 4.36Å; M389-L407 HydrophobicContact CB-CD1 4.31Å; M389-L407 HydrophobicContact CG-CB 4.19Å; M389-L407 WeakPolarHBondContact O-CD1 3.36Å; M389-L407 HydrophobicContact SD-CB 3.99Å; M389-Y409 PolarHBondContact SD-N 2.99Å
390	N	89.5	Confident	86.7	Confident	97 Å²	97	57.7 Å²	57.7	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178.1	-73.1	-26.7	0	0	0	111.8	E386 T387 Q388 V392 K393 T394	E386-N390 PolarHBondContact O-N 2.86Å; E386-N390 PolarHBondContact O-ND2 2.65Å; T387-N390 PolarHBondContact O-N 3.43Å; Q388-N390 VanDerWaalsContact C-N 3.35Å; Q388-N390 PolarHBondContact O-N 3.39Å; N390-V392 PolarHBondContact O-N 3.19Å; N390-K393 PolarHBondContact O-N 2.83Å; N390-T394 WeakPolarHBondContact O-CB 3.46Å; N390-T394 PolarHBondContact O-N 3.34Å; N390-T394 PolarHBondContact O-OG1 2.88Å; N390-T394 VanDerWaalsContact O-OG1 3.06Å
391	Q	90.4	Very high	84.8	Confident	80 Å²	80	62.2 Å²	62.2	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-43.2	175.5	-74.9	176.3	-5.2	0	0	112.4	L361 T387 Q388 M389 R395	L361-Q391 HydrophobicContact CB-CB 4.43Å; L361-Q391 HydrophobicContact CD2-CB 4.09Å; T387-Q391 VanDerWaalsContact O-CG 3.29Å; T387-Q391 WeakPolarHBondContact O-CG 3.48Å; T387-Q391 PolarHBondContact O-N 2.67Å; Q388-Q391 PolarHBondContact O-N 2.64Å; M389-Q391 VanDerWaalsContact C-N 3.35Å; M389-Q391 PolarHBondContact O-N 2.92Å; Q391-R395 VanDerWaalsContact O-CB 3.25Å; Q391-R395 WeakPolarHBondContact O-CB 3.42Å; Q391-R395 PolarHBondContact O-N 3.11Å
392	V	87.6	Confident	83.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-47.1	175.7	176.3	0	0	0	0	110	L361 Q388 M389 N390 T394 R395 R396 L407	L361-V392 HydrophobicContact CB-CG2 4.32Å; Q388-V392 WeakPolarHBondContact O-CG2 3.36Å; Q388-V392 PolarHBondContact O-N 3.44Å; M389-V392 PolarHBondContact O-N 3.45Å; N390-V392 PolarHBondContact O-N 3.19Å; V392-T394 PolarHBondContact O-N 3.16Å; V392-R395 PolarHBondContact O-N 3.43Å; V392-R396 HydrophobicContact CG1-CG 4.29Å; V392-R396 WeakPolarHBondContact O-CB 3.39Å; V392-R396 WeakPolarHBondContact O-CG 3.25Å; V392-R396 PolarHBondContact O-N 3.38Å; V392-L407 HydrophobicContact CB-CD2 4.25Å; V392-L407 HydrophobicContact CG1-CD2 3.85Å
393	K	86.2	Confident	82.5	Confident	130 Å²	130	72.1 Å²	72.1	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-56.9	-49.3	178.7	-170.3	178.4	179.5	-178.3	0	111.7	M389 N390 R396 A397 L407	M389-K393 WeakPolarHBondContact O-CB 3.29Å; M389-K393 PolarHBondContact O-N 3.33Å; N390-K393 PolarHBondContact O-N 2.83Å; K393-R396 CarbonylContact O-C 3.55Å; K393-A397 VanDerWaalsContact O-CA 3.32Å; K393-A397 WeakPolarHBondContact O-CA 3.43Å; K393-A397 PolarHBondContact O-N 3.11Å; K393-L407 HydrophobicContact CB-CD1 3.81Å
394	T	86.8	Confident	82.2	Confident	109 Å²	109	74.7 Å²	74.7	67%	0.669	41%	0.405	S	S	*	.	H	α-helix	trans	-66.1	-49.7	179.9	-59.3	0	0	0	0	111.6	N390 V392 R396 A397	N390-T394 WeakPolarHBondContact O-CB 3.46Å; N390-T394 PolarHBondContact O-N 3.34Å; N390-T394 PolarHBondContact O-OG1 2.88Å; N390-T394 VanDerWaalsContact O-OG1 3.06Å; V392-T394 PolarHBondContact O-N 3.16Å; T394-R396 PolarHBondContact O-N 2.9Å; T394-A397 VanDerWaalsContact O-CB 3.27Å; T394-A397 WeakPolarHBondContact O-CB 3.44Å; T394-A397 PolarHBondContact O-N 2.92Å
395	R	85.6	Confident	82.1	Confident	189 Å²	189	73.5 Å²	73.5	71%	0.713	40%	0.399	S	S	*	.	H	α-helix	trans	-73	-19.7	-175.5	-164.2	147.7	176.7	155.5	0.3	113.4	L361 Q391 V392	L361-R395 HydrophobicContact CD1-CB 4.22Å; L361-R395 HydrophobicContact CD1-CG 4.26Å; Q391-R395 VanDerWaalsContact O-CB 3.25Å; Q391-R395 WeakPolarHBondContact O-CB 3.42Å; Q391-R395 PolarHBondContact O-N 3.11Å; V392-R395 PolarHBondContact O-N 3.43Å
396	R	82	Confident	82.2	Confident	13 Å²	13	75 Å²	75	5%	0.049	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	19	175.1	-55.4	-166.2	179.5	-67.3	-2.1	111.8	S366 E367 R370 V392 K393 T394 S398 L399 A400	S366-R396 PolarHBondContact O-NE 2.99Å; S366-R396 PolarHBondContact O-NH2 3.46Å; S366-R396 PolarHBondContact OG-NE 3.43Å; S366-R396 PolarHBondContact OG-NH2 3Å; E367-R396 IonicContact OE1-CZ 2.84Å; E367-R396 IonicContact OE1-NH2 3.49Å; E367-R396 PolarHBondContact OE1-NH2 2.68Å; R370-R396 VanDerWaalsContact CD-NH1 3.32Å; V392-R396 HydrophobicContact CG1-CG 4.29Å; V392-R396 WeakPolarHBondContact O-CB 3.39Å; V392-R396 WeakPolarHBondContact O-CG 3.25Å; V392-R396 PolarHBondContact O-N 3.38Å; K393-R396 CarbonylContact O-C 3.55Å; T394-R396 PolarHBondContact O-N 2.9Å; R396-S398 PolarHBondContact O-N 3.28Å; R396-L399 HydrophobicContact CB-CB 4.33Å; R396-L399 HydrophobicContact CB-CD1 4.05Å; R396-L399 HydrophobicContact CG-CD1 4.23Å; R396-L399 CarbonylContact O-C 3.54Å; R396-L399 WeakPolarHBondContact O-CA 3.46Å; R396-L399 VanDerWaalsContact O-CB 3.3Å; R396-L399 WeakPolarHBondContact O-CB 3.29Å; R396-L399 PolarHBondContact O-N 2.95Å; R396-A400 PolarHBondContact O-N 3.14Å
397	A	74.8	Confident	82.4	Confident	55 Å²	55	70.2 Å²	70.2	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-36.6	-178.8	0	0	0	0	0	112.4	K393 T394 L399 A400 S401	K393-A397 VanDerWaalsContact O-CA 3.32Å; K393-A397 WeakPolarHBondContact O-CA 3.43Å; K393-A397 PolarHBondContact O-N 3.11Å; T394-A397 VanDerWaalsContact O-CB 3.27Å; T394-A397 WeakPolarHBondContact O-CB 3.44Å; T394-A397 PolarHBondContact O-N 2.92Å; A397-L399 PolarHBondContact O-N 2.86Å; A397-A400 WeakPolarHBondContact O-CB 3.33Å; A397-A400 PolarHBondContact O-N 3.22Å; A397-S401 PolarHBondContact O-N 2.94Å
398	S	74.8	Confident	82.6	Confident	97 Å²	97	67 Å²	67	68%	0.678	36%	0.36	S	S	*	.	H	α-helix	trans	-60.3	-31.7	173.4	57.6	0	0	0	0	113.1	R396 S401	R396-S398 PolarHBondContact O-N 3.28Å; S398-S401 PolarHBondContact O-OG 2.98Å
399	L	68.5	Low	82.8	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.188	37%	0.373	C	S	.	.	H	α-helix	trans	-83.4	-30.1	174	-58.9	169.4	0	0	0	111.8	R370 I373 R396 A397 S401 T402	R370-L399 HydrophobicContact CG-CD1 3.81Å; I373-L399 HydrophobicContact CD1-CB 4.37Å; I373-L399 HydrophobicContact CG2-CB 3.98Å; I373-L399 HydrophobicContact CG2-CD2 4.3Å; R396-L399 HydrophobicContact CB-CB 4.33Å; R396-L399 HydrophobicContact CB-CD1 4.05Å; R396-L399 HydrophobicContact CG-CD1 4.23Å; R396-L399 CarbonylContact O-C 3.54Å; R396-L399 WeakPolarHBondContact O-CA 3.46Å; R396-L399 VanDerWaalsContact O-CB 3.3Å; R396-L399 WeakPolarHBondContact O-CB 3.29Å; R396-L399 PolarHBondContact O-N 2.95Å; A397-L399 PolarHBondContact O-N 2.86Å; L399-S401 PolarHBondContact O-N 3.42Å; L399-T402 PolarHBondContact O-N 3.21Å; L399-T402 PolarHBondContact O-OG1 3.01Å
400	A	55.5	Low	83.1	Confident	34 Å²	34	69.3 Å²	69.3	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-68.4	-20.6	179.6	0	0	0	0	0	113.4	R396 A397 T402 N403	R396-A400 PolarHBondContact O-N 3.14Å; A397-A400 WeakPolarHBondContact O-CB 3.33Å; A397-A400 PolarHBondContact O-N 3.22Å; A400-T402 PolarHBondContact O-N 2.95Å; A400-N403 PolarHBondContact O-N 3.39Å; A400-N403 VanDerWaalsContact O-N 3.09Å
401	S	58.5	Low	83.4	Confident	98 Å²	98	65.7 Å²	65.7	69%	0.685	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-18.5	169.1	63.2	0	0	0	0	113.6	A397 S398 L399	A397-S401 PolarHBondContact O-N 2.94Å; S398-S401 PolarHBondContact O-OG 2.98Å; L399-S401 PolarHBondContact O-N 3.42Å
402	T	64.4	Low	83.7	Confident	50 Å²	50	62.5 Å²	62.5	31%	0.307	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.6	-177.1	64.6	0	0	0	0	114.9	L399 A400 R404	L399-T402 PolarHBondContact O-N 3.21Å; L399-T402 PolarHBondContact O-OG1 3.01Å; A400-T402 PolarHBondContact O-N 2.95Å; T402-R404 VanDerWaalsContact O-CG 3.31Å; T402-R404 WeakPolarHBondContact O-CG 3.41Å; T402-R404 PolarHBondContact O-N 3.31Å; T402-R404 WeakPolarHBondContact OG1-CB 3.16Å
403	N	81.1	Confident	84.1	Confident	162 Å²	162	68.4 Å²	68.4	87%	0.866	36%	0.357	S	S	*	.	S	Bend	trans	53.7	13.8	-169.2	-78.3	-12.6	0	0	0	114.4	A400	A400-N403 PolarHBondContact O-N 3.39Å; A400-N403 VanDerWaalsContact O-N 3.09Å
404	R	89.2	Confident	84.6	Confident	56 Å²	56	63.6 Å²	63.6	21%	0.211	34%	0.339	C	S	.	.			trans	-96.1	7.2	-176.8	-63.1	-170.6	-74.5	115.6	-4.1	114.1	I373 W377 N378 V379 T402	I373-R404 PolarHBondContact O-NH1 3.31Å; I373-R404 PolarHBondContact O-NH2 3.46Å; W377-R404 PolarHBondContact O-NH1 3.35Å; N378-R404 CarbonylContact C-O 3.59Å; N378-R404 WeakPolarHBondContact CA-O 3.37Å; N378-R404 VanDerWaalsContact OD1-CG 3.27Å; N378-R404 WeakPolarHBondContact OD1-CG 3.37Å; V379-R404 PolarHBondContact N-O 2.82Å; T402-R404 VanDerWaalsContact O-CG 3.31Å; T402-R404 WeakPolarHBondContact O-CG 3.41Å; T402-R404 PolarHBondContact O-N 3.31Å; T402-R404 WeakPolarHBondContact OG1-CB 3.16Å
405	L	92.5	Very high	84.9	Confident	33 Å²	33	59 Å²	59	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.5	179.9	176.6	56.1	0	0	0	110.5	T369 I373 V379 A381 L407	T369-L405 HydrophobicContact CG2-CD1 3.67Å; I373-L405 HydrophobicContact CD1-CB 3.84Å; I373-L405 HydrophobicContact CD1-CD1 4.1Å; I373-L405 HydrophobicContact CD1-CD2 3.97Å; I373-L405 HydrophobicContact CD1-CG 4.18Å; V379-L405 HydrophobicContact CB-CD1 4.43Å; V379-L405 WeakPolarHBondContact O-CA 3.16Å; A381-L405 HydrophobicContact CB-CD1 3.85Å; L405-L407 HydrophobicContact CD1-CD2 4.13Å; L405-L407 HydrophobicContact CD1-CG 4.43Å; L405-L407 HydrophobicContact CG-CD2 4.41Å; L405-L407 HydrophobicContact CG-CG 4.29Å
406	Q	93.1	Very high	85.3	Confident	68 Å²	68	54.6 Å²	54.6	32%	0.318	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.4	168.7	-173.9	-180	10	0	0	109	V379 I380 A381 L408	V379-Q406 PolarHBondContact O-N 2.99Å; I380-Q406 CarbonylContact C-O 3.55Å; I380-Q406 WeakPolarHBondContact CA-O 3.2Å; I380-Q406 HydrophobicContact CG1-CB 4.48Å; A381-Q406 PolarHBondContact N-O 3.36Å; Q406-L408 HydrophobicContact CG-CD2 4.41Å; Q406-L408 HydrophobicContact CG-CG 4.45Å
407	L	94.3	Very high	86	Confident	39 Å²	39	54.6 Å²	54.6	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.6	176	-66.5	167.2	0	0	0	109.4	A381 M389 V392 K393 L405	A381-L407 HydrophobicContact CB-CD2 3.89Å; A381-L407 WeakPolarHBondContact O-CA 3.46Å; M389-L407 HydrophobicContact CB-CB 4.36Å; M389-L407 HydrophobicContact CB-CD1 4.31Å; M389-L407 HydrophobicContact CG-CB 4.19Å; M389-L407 WeakPolarHBondContact O-CD1 3.36Å; M389-L407 HydrophobicContact SD-CB 3.99Å; V392-L407 HydrophobicContact CB-CD2 4.25Å; V392-L407 HydrophobicContact CG1-CD2 3.85Å; K393-L407 HydrophobicContact CB-CD1 3.81Å; L405-L407 HydrophobicContact CD1-CD2 4.13Å; L405-L407 HydrophobicContact CD1-CG 4.43Å; L405-L407 HydrophobicContact CG-CD2 4.41Å; L405-L407 HydrophobicContact CG-CG 4.29Å
408	L	96.3	Very high	87.1	Confident	19 Å²	19	52 Å²	52	10%	0.099	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	175.7	-62.9	179.2	0	0	0	110.1	I380 A381 C382 C383 Q406 L421 K424 I425	I380-L408 HydrophobicContact CG2-CD1 3.55Å; I380-L408 HydrophobicContact CG2-CG 4.1Å; A381-L408 PolarHBondContact O-N 2.98Å; C382-L408 CarbonylContact C-O 3.59Å; C382-L408 VanDerWaalsContact CA-O 3.25Å; C382-L408 WeakPolarHBondContact CA-O 3.5Å; C383-L408 PolarHBondContact N-O 2.92Å; Q406-L408 HydrophobicContact CG-CD2 4.41Å; Q406-L408 HydrophobicContact CG-CG 4.45Å; L408-L421 HydrophobicContact CB-CD1 3.8Å; L408-L421 HydrophobicContact CD1-CD1 3.66Å; L408-L421 HydrophobicContact CG-CD1 4.38Å; L408-K424 HydrophobicContact CD1-CG 4.34Å; L408-K424 HydrophobicContact CD2-CG 3.98Å; L408-I425 HydrophobicContact CD1-CD1 4.4Å; L408-I425 HydrophobicContact CD1-CG1 3.84Å
409	Y	96.3	Very high	88.1	Confident	83 Å²	83	51.4 Å²	51.4	33%	0.325	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.9	171.1	164.6	-95.9	0	0	0	110	C383 I384 M389 D417	C383-Y409 WeakPolarHBondContact O-CA 3.43Å; I384-Y409 WeakPolarHBondContact O-CE2 3.35Å; M389-Y409 PolarHBondContact SD-N 2.99Å; Y409-D417 HydrophobicContact CE1-CB 4.38Å; Y409-D417 WeakPolarHBondContact CE1-OD2 3.29Å; Y409-D417 VanDerWaalsContact CZ-OD2 3.26Å; Y409-D417 PolarHBondContact OH-OD2 3.23Å
410	C	97	Very high	89.4	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.054	28%	0.277	C	S	.	.			trans	-161.8	121.1	165.7	-172.9	0	0	0	0	110.6	C383 L421	C383-C410 PolarHBondContact O-N 3.44Å; C410-L421 HydrophobicContact CB-CB 4.15Å; C410-L421 HydrophobicContact CB-CD1 4.31Å; C410-L421 HydrophobicContact CB-CD2 3.69Å; C410-L421 HydrophobicContact CB-CG 4.25Å
411	D	96.4	Very high	91.4	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.112	27%	0.265	C	S	.	.			trans	-91.1	111.1	164.7	-172.2	-9.7	0	0	0	109.9	I384 R413 S414	I384-D411 HydrophobicContact CG1-CB 4.42Å; D411-R413 PolarHBondContact O-N 2.76Å; D411-R413 WeakPolarHBondContact OD1-CB 3.47Å; D411-R413 WeakPolarHBondContact OD1-CG 3.29Å; D411-R413 IonicContact OD1-CZ 3.84Å; D411-R413 PolarHBondContact OD1-N 3.34Å; D411-R413 IonicContact OD1-NE 2.8Å; D411-R413 PolarHBondContact OD1-NE 3.15Å; D411-R413 IonicContact OD1-NH2 2.93Å; D411-R413 IonicContact OD2-CZ 2.96Å; D411-R413 IonicContact OD2-NE 3.52Å; D411-R413 PolarHBondContact OD2-NE 3.18Å; D411-R413 IonicContact OD2-NH2 3.62Å; D411-R413 PolarHBondContact OD2-NH2 3.04Å; D411-S414 PolarHBondContact O-N 3.35Å
412	L	97	Very high	93.2	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-3	-179	-61.9	-173.2	0	0	0	114.2	S414 I418 A439 V460 A464 L468	L412-S414 VanDerWaalsContact C-N 3.32Å; L412-I418 HydrophobicContact CD2-CG1 4.08Å; L412-A439 HydrophobicContact CD1-CB 3.33Å; L412-A439 HydrophobicContact CG-CB 4.48Å; L412-V460 HydrophobicContact CB-CG1 4.21Å; L412-V460 HydrophobicContact CB-CG2 4.29Å; L412-A464 HydrophobicContact CB-CB 3.85Å; L412-A464 HydrophobicContact CD1-CB 4.39Å; L412-A464 HydrophobicContact CD2-CB 4.19Å; L412-A464 HydrophobicContact CG-CB 4.37Å; L412-L468 HydrophobicContact CD2-CD1 3.87Å
413	R	95.7	Very high	94.7	Very high	124 Å²	124	55.1 Å²	55.1	47%	0.468	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.8	169	-62.6	173.1	-68.8	174.6	3	112.7	D411 T449 V460	D411-R413 PolarHBondContact O-N 2.76Å; D411-R413 WeakPolarHBondContact OD1-CB 3.47Å; D411-R413 WeakPolarHBondContact OD1-CG 3.29Å; D411-R413 IonicContact OD1-CZ 3.84Å; D411-R413 PolarHBondContact OD1-N 3.34Å; D411-R413 IonicContact OD1-NE 2.8Å; D411-R413 PolarHBondContact OD1-NE 3.15Å; D411-R413 IonicContact OD1-NH2 2.93Å; D411-R413 IonicContact OD2-CZ 2.96Å; D411-R413 IonicContact OD2-NE 3.52Å; D411-R413 PolarHBondContact OD2-NE 3.18Å; D411-R413 IonicContact OD2-NH2 3.62Å; D411-R413 PolarHBondContact OD2-NH2 3.04Å; R413-T449 HydrophobicContact CB-CG2 4.21Å; R413-T449 WeakPolarHBondContact O-CB 3.33Å; R413-T449 WeakPolarHBondContact O-CG2 3.48Å; R413-V460 HydrophobicContact CB-CG2 4.36Å; R413-V460 HydrophobicContact CG-CG2 3.36Å
414	S	95.7	Very high	95.5	Very high	28 Å²	28	52.2 Å²	52.2	20%	0.196	23%	0.233	C	C	.	.			trans	-109.4	116.4	-175.4	168.6	0	0	0	0	110.1	D411 L412 E416 D417 I418	D411-S414 PolarHBondContact O-N 3.35Å; L412-S414 VanDerWaalsContact C-N 3.32Å; S414-E416 PolarHBondContact O-N 3.26Å; S414-E416 PolarHBondContact OG-N 3.09Å; S414-D417 PolarHBondContact O-N 2.83Å; S414-D417 PolarHBondContact OG-N 2.83Å; S414-D417 VanDerWaalsContact OG-N 3.16Å; S414-I418 WeakPolarHBondContact O-CG1 3.28Å; S414-I418 PolarHBondContact O-N 3.11Å; S414-I418 VanDerWaalsContact O-N 3.13Å
415	S	93.9	Very high	95.9	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-31	175.5	73.1	0	0	0	0	112.1	I418 K419 D450	S415-I418 PolarHBondContact O-N 3.14Å; S415-K419 WeakPolarHBondContact O-CG 3.29Å; S415-K419 PolarHBondContact O-N 3.21Å; S415-D450 WeakPolarHBondContact CB-OD2 3.36Å; S415-D450 PolarHBondContact N-OD1 3.24Å; S415-D450 PolarHBondContact N-OD2 3.3Å; S415-D450 PolarHBondContact OG-OD2 2.9Å
416	E	94.8	Very high	96.1	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-69.6	-40.7	176.6	-174.7	53.4	-147	0	0	112.4	S414 I418 K419 R420	S414-E416 PolarHBondContact O-N 3.26Å; S414-E416 PolarHBondContact OG-N 3.09Å; E416-I418 VanDerWaalsContact C-N 3.3Å; E416-I418 PolarHBondContact O-N 2.81Å; E416-K419 PolarHBondContact O-N 2.66Å; E416-R420 WeakPolarHBondContact O-CB 3.08Å; E416-R420 PolarHBondContact O-N 3.01Å
417	D	96.5	Very high	96.3	Very high	14 Å²	14	53 Å²	53	8%	0.075	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-33.2	175.2	-75.5	-15.6	0	0	0	111.6	Y409 S414 R420 L421	Y409-D417 HydrophobicContact CE1-CB 4.38Å; Y409-D417 WeakPolarHBondContact CE1-OD2 3.29Å; Y409-D417 VanDerWaalsContact CZ-OD2 3.26Å; Y409-D417 PolarHBondContact OH-OD2 3.23Å; S414-D417 PolarHBondContact O-N 2.83Å; S414-D417 PolarHBondContact OG-N 2.83Å; S414-D417 VanDerWaalsContact OG-N 3.16Å; D417-R420 IonicContact OD1-CZ 3.72Å; D417-R420 IonicContact OD1-NH1 3.58Å; D417-R420 PolarHBondContact OD1-NH1 3.17Å; D417-R420 IonicContact OD1-NH2 2.65Å; D417-R420 PolarHBondContact OD1-NH2 2.84Å; D417-L421 WeakPolarHBondContact O-CB 3.35Å; D417-L421 PolarHBondContact O-N 2.9Å
418	I	97	Very high	96.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-48.5	173	-65.7	165.3	0	0	0	110.4	L412 S414 S415 E416 R420 L421 V422 M459 A464 M467 L468 F643	L412-I418 HydrophobicContact CD2-CG1 4.08Å; S414-I418 WeakPolarHBondContact O-CG1 3.28Å; S414-I418 PolarHBondContact O-N 3.11Å; S414-I418 VanDerWaalsContact O-N 3.13Å; S415-I418 PolarHBondContact O-N 3.14Å; E416-I418 VanDerWaalsContact C-N 3.3Å; E416-I418 PolarHBondContact O-N 2.81Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.32Å; I418-L421 WeakPolarHBondContact O-CB 3.4Å; I418-L421 PolarHBondContact O-N 2.85Å; I418-V422 WeakPolarHBondContact O-CG2 3.28Å; I418-V422 PolarHBondContact O-N 2.92Å; I418-M459 HydrophobicContact CD1-CE 3.59Å; I418-A464 HydrophobicContact CD1-CB 3.47Å; I418-A464 VanDerWaalsContact CD1-CB 3.47Å; I418-A464 HydrophobicContact CG1-CB 4.48Å; I418-M467 HydrophobicContact CD1-SD 3.95Å; I418-M467 HydrophobicContact CG2-CB 4.19Å; I418-M467 HydrophobicContact CG2-SD 4.35Å; I418-L468 HydrophobicContact CG2-CD2 3.99Å; I418-L468 HydrophobicContact CG2-CG 4.34Å; I418-F643 HydrophobicContact CG2-CZ 4.04Å
419	K	95.7	Very high	96.3	Very high	84 Å²	84	54.2 Å²	54.2	37%	0.365	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-45.2	176	-72.7	172.5	-177.2	175.6	0	111.9	S415 E416 L421 V422 K423 F643	S415-K419 WeakPolarHBondContact O-CG 3.29Å; S415-K419 PolarHBondContact O-N 3.21Å; E416-K419 PolarHBondContact O-N 2.66Å; K419-L421 PolarHBondContact O-N 3.24Å; K419-V422 PolarHBondContact O-N 3.07Å; K419-K423 WeakPolarHBondContact O-CB 3.12Å; K419-K423 PolarHBondContact O-N 3.18Å; K419-F643 HydrophobicContact CG-CE1 3.97Å
420	R	96.3	Very high	96.2	Very high	126 Å²	126	54.8 Å²	54.8	48%	0.475	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.1	-163.5	-174.5	-49	125.9	19.4	111.9	E416 D417 I418 K424	E416-R420 WeakPolarHBondContact O-CB 3.08Å; E416-R420 PolarHBondContact O-N 3.01Å; D417-R420 IonicContact OD1-CZ 3.72Å; D417-R420 IonicContact OD1-NH1 3.58Å; D417-R420 PolarHBondContact OD1-NH1 3.17Å; D417-R420 IonicContact OD1-NH2 2.65Å; D417-R420 PolarHBondContact OD1-NH2 2.84Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.32Å; R420-K424 WeakPolarHBondContact O-CB 3.5Å; R420-K424 PolarHBondContact O-N 3Å
421	L	97.3	Very high	96.2	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-50.5	176.5	178.6	68	0	0	0	111.1	L408 C410 D417 I418 K419 K423 K424 I425 L468	L408-L421 HydrophobicContact CB-CD1 3.8Å; L408-L421 HydrophobicContact CD1-CD1 3.66Å; L408-L421 HydrophobicContact CG-CD1 4.38Å; C410-L421 HydrophobicContact CB-CB 4.15Å; C410-L421 HydrophobicContact CB-CD1 4.31Å; C410-L421 HydrophobicContact CB-CD2 3.69Å; C410-L421 HydrophobicContact CB-CG 4.25Å; D417-L421 WeakPolarHBondContact O-CB 3.35Å; D417-L421 PolarHBondContact O-N 2.9Å; I418-L421 WeakPolarHBondContact O-CB 3.4Å; I418-L421 PolarHBondContact O-N 2.85Å; K419-L421 PolarHBondContact O-N 3.24Å; L421-K423 PolarHBondContact O-N 3.47Å; L421-K424 PolarHBondContact O-N 3.42Å; L421-I425 HydrophobicContact CD1-CD1 3.83Å; L421-I425 HydrophobicContact CD1-CG1 4.24Å; L421-I425 HydrophobicContact CD2-CD1 4.36Å; L421-I425 HydrophobicContact CG-CD1 3.8Å; L421-I425 HydrophobicContact CG-CG1 4.48Å; L421-I425 WeakPolarHBondContact O-CG1 3.34Å; L421-I425 PolarHBondContact O-N 3.18Å; L421-L468 HydrophobicContact CD2-CD2 4Å
422	V	97.3	Very high	96.3	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-51.5	178.7	169	0	0	0	0	110.3	I418 K419 K424 I425 V426 L468 A471 L472 F643	I418-V422 WeakPolarHBondContact O-CG2 3.28Å; I418-V422 PolarHBondContact O-N 2.92Å; K419-V422 PolarHBondContact O-N 3.07Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.98Å; V422-I425 PolarHBondContact O-N 2.88Å; V422-I425 VanDerWaalsContact O-N 3.14Å; V422-V426 HydrophobicContact CG1-CG2 4.18Å; V422-V426 WeakPolarHBondContact O-CG2 3.34Å; V422-V426 PolarHBondContact O-N 3.48Å; V422-L468 HydrophobicContact CG2-CD2 3.86Å; V422-A471 HydrophobicContact CB-CB 4.5Å; V422-A471 HydrophobicContact CG1-CB 3.78Å; V422-A471 HydrophobicContact CG2-CB 3.84Å; V422-L472 HydrophobicContact CG1-CD2 4.34Å; V422-L472 HydrophobicContact CG2-CD2 4.48Å; V422-F643 HydrophobicContact CB-CD1 4.37Å; V422-F643 HydrophobicContact CB-CE1 4.31Å; V422-F643 HydrophobicContact CG1-CD1 4.04Å; V422-F643 HydrophobicContact CG1-CE1 4.46Å; V422-F643 HydrophobicContact CG2-CD1 4.34Å; V422-F643 HydrophobicContact CG2-CE1 4.01Å
423	K	96.5	Very high	96.3	Very high	154 Å²	154	56.6 Å²	56.6	67%	0.67	27%	0.272	S	S	*	.	H	α-helix	trans	-55.7	-44.4	177.9	-176.1	175.4	-177.8	174.8	0	111.5	K419 L421 T427	K419-K423 WeakPolarHBondContact O-CB 3.12Å; K419-K423 PolarHBondContact O-N 3.18Å; L421-K423 PolarHBondContact O-N 3.47Å; K423-T427 WeakPolarHBondContact O-CB 3.39Å; K423-T427 WeakPolarHBondContact O-CG2 3.38Å; K423-T427 PolarHBondContact O-N 3.41Å; K423-T427 VanDerWaalsContact O-N 3.09Å; K423-T427 PolarHBondContact O-OG1 2.89Å
424	K	97.5	Very high	96.4	Very high	100 Å²	100	50.7 Å²	50.7	44%	0.435	25%	0.25	S	C	.	.	H	α-helix	trans	-64	-43	178.4	-176.5	59.3	174.9	-178.8	0	112.2	L408 R420 L421 V422 T427 T428	L408-K424 HydrophobicContact CD1-CG 4.34Å; L408-K424 HydrophobicContact CD2-CG 3.98Å; R420-K424 WeakPolarHBondContact O-CB 3.5Å; R420-K424 PolarHBondContact O-N 3Å; L421-K424 PolarHBondContact O-N 3.42Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.98Å; K424-T427 PolarHBondContact O-OG1 3.21Å; K424-T427 VanDerWaalsContact O-OG1 3.07Å; K424-T428 HydrophobicContact CD-CG2 4.04Å; K424-T428 WeakPolarHBondContact O-CB 3.29Å; K424-T428 WeakPolarHBondContact O-CG2 3.31Å; K424-T428 PolarHBondContact O-N 2.78Å; K424-T428 PolarHBondContact O-OG1 3.35Å
425	I	97.8	Very high	96.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-51.6	-179.7	-69.4	172.5	0	0	0	110.2	L355 L408 L421 V422 T427 T428 T429 I432 L472 L475	L355-I425 HydrophobicContact CD1-CD1 3.86Å; L355-I425 HydrophobicContact CD2-CD1 3.86Å; L408-I425 HydrophobicContact CD1-CD1 4.4Å; L408-I425 HydrophobicContact CD1-CG1 3.84Å; L421-I425 HydrophobicContact CD1-CD1 3.83Å; L421-I425 HydrophobicContact CD1-CG1 4.24Å; L421-I425 HydrophobicContact CD2-CD1 4.36Å; L421-I425 HydrophobicContact CG-CD1 3.8Å; L421-I425 HydrophobicContact CG-CG1 4.48Å; L421-I425 WeakPolarHBondContact O-CG1 3.34Å; L421-I425 PolarHBondContact O-N 3.18Å; V422-I425 PolarHBondContact O-N 2.88Å; V422-I425 VanDerWaalsContact O-N 3.14Å; I425-T427 VanDerWaalsContact C-N 3.25Å; I425-T427 PolarHBondContact O-N 3.44Å; I425-T428 PolarHBondContact O-N 3.06Å; I425-T428 VanDerWaalsContact O-N 3.11Å; I425-T429 WeakPolarHBondContact O-CA 3.35Å; I425-T429 VanDerWaalsContact O-CB 3.27Å; I425-T429 WeakPolarHBondContact O-CB 3.27Å; I425-T429 PolarHBondContact O-N 3.32Å; I425-I432 HydrophobicContact CG2-CD1 3.75Å; I425-L472 HydrophobicContact CB-CD2 4.23Å; I425-L472 HydrophobicContact CD1-CD1 4.09Å; I425-L472 HydrophobicContact CG2-CD2 3.87Å; I425-L475 HydrophobicContact CG2-CD1 3.88Å
426	V	96	Very high	96.8	Very high	75 Å²	75	48.8 Å²	48.8	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-35.9	-178.3	173.5	0	0	0	0	112	V422 L472 L475	V422-V426 HydrophobicContact CG1-CG2 4.18Å; V422-V426 WeakPolarHBondContact O-CG2 3.34Å; V422-V426 PolarHBondContact O-N 3.48Å; V426-L472 HydrophobicContact CG2-CD2 4.13Å; V426-L475 HydrophobicContact CG2-CD1 4.25Å
427	T	96.2	Very high	96.9	Very high	100 Å²	100	44.3 Å²	44.3	61%	0.613	22%	0.216	S	C	*	.	H	α-helix	trans	-77.7	-20.6	178.8	52	0	0	0	0	114.5	K423 K424 I425	K423-T427 WeakPolarHBondContact O-CB 3.39Å; K423-T427 WeakPolarHBondContact O-CG2 3.38Å; K423-T427 PolarHBondContact O-N 3.41Å; K423-T427 VanDerWaalsContact O-N 3.09Å; K423-T427 PolarHBondContact O-OG1 2.89Å; K424-T427 PolarHBondContact O-OG1 3.21Å; K424-T427 VanDerWaalsContact O-OG1 3.07Å; I425-T427 VanDerWaalsContact C-N 3.25Å; I425-T427 PolarHBondContact O-N 3.44Å
428	T	95.5	Very high	97	Very high	67 Å²	67	44.5 Å²	44.5	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-115.4	-13.9	-174.1	59	0	0	0	0	114.1	K424 I425	K424-T428 HydrophobicContact CD-CG2 4.04Å; K424-T428 WeakPolarHBondContact O-CB 3.29Å; K424-T428 WeakPolarHBondContact O-CG2 3.31Å; K424-T428 PolarHBondContact O-N 2.78Å; K424-T428 PolarHBondContact O-OG1 3.35Å; I425-T428 PolarHBondContact O-N 3.06Å; I425-T428 VanDerWaalsContact O-N 3.11Å
429	T	96.1	Very high	97	Very high	16 Å²	16	45.1 Å²	45.1	10%	0.098	22%	0.222	C	C	.	.			trans	-128.3	120.7	-172.6	-55.1	0	0	0	0	110.2	T353 I380 I425 R431 I432	T353-T429 HydrophobicContact CG2-CG2 4.13Å; I380-T429 HydrophobicContact CD1-CG2 4.03Å; I380-T429 VanDerWaalsContact CD1-OG1 3.29Å; I380-T429 WeakPolarHBondContact CD1-OG1 3.33Å; I425-T429 WeakPolarHBondContact O-CA 3.35Å; I425-T429 VanDerWaalsContact O-CB 3.27Å; I425-T429 WeakPolarHBondContact O-CB 3.27Å; I425-T429 PolarHBondContact O-N 3.32Å; T429-R431 WeakPolarHBondContact CG2-O 3.3Å; T429-I432 HydrophobicContact CG2-CG1 4Å
430	N	94.9	Very high	97	Very high	95 Å²	95	42.3 Å²	42.3	51%	0.508	22%	0.217	S	C	.	.	S	Bend	trans	-79.3	-33	-179.8	-174.1	46.5	0	0	0	113.1	L475 K478	N430-L475 WeakPolarHBondContact O-CD2 3.28Å; N430-K478 PolarHBondContact OD1-NZ 3.22Å
431	R	96.8	Very high	96.9	Very high	69 Å²	69	37.1 Å²	37.1	26%	0.26	20%	0.199	S	C	.	.			trans	-146.8	139	-173	-70.4	-177.6	-68.7	-177.7	17.3	111.4	T353 T429 K478 A479 E482 D483	T353-R431 WeakPolarHBondContact CB-O 3.2Å; T429-R431 WeakPolarHBondContact CG2-O 3.3Å; R431-K478 HydrophobicContact CG-CB 4.31Å; R431-K478 HydrophobicContact CG-CD 4.06Å; R431-K478 HydrophobicContact CG-CG 3.94Å; R431-A479 HydrophobicContact CB-CB 4.23Å; R431-E482 VanDerWaalsContact CD-OE2 3.28Å; R431-E482 WeakPolarHBondContact CD-OE2 3.44Å; R431-E482 IonicContact CZ-OE2 2.78Å; R431-E482 IonicContact NE-OE2 3.71Å; R431-E482 IonicContact NH1-OE2 2.9Å; R431-E482 PolarHBondContact NH1-OE2 3.24Å; R431-D483 WeakPolarHBondContact CD-OD2 3.44Å; R431-D483 IonicContact CZ-OD1 3.96Å; R431-D483 IonicContact CZ-OD2 2.84Å; R431-D483 IonicContact NE-OD2 3.64Å; R431-D483 VanDerWaalsContact NH1-CG 3.33Å; R431-D483 IonicContact NH1-OD1 3.52Å; R431-D483 PolarHBondContact NH1-OD1 2.8Å; R431-D483 IonicContact NH1-OD2 2.79Å; R431-D483 PolarHBondContact NH1-OD2 3.49Å; R431-D483 IonicContact NH2-OD1 3.2Å; R431-D483 IonicContact NH2-OD2 3.16Å
432	I	98.1	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.			trans	-120.8	109	172.5	-62.1	174.9	0	0	0	107.6	L355 I425 T429 F435 L475 V476 A479	L355-I432 HydrophobicContact CB-CD1 4.4Å; L355-I432 HydrophobicContact CB-CG2 4.08Å; L355-I432 HydrophobicContact CD2-CD1 4.13Å; I425-I432 HydrophobicContact CG2-CD1 3.75Å; T429-I432 HydrophobicContact CG2-CG1 4Å; I432-F435 HydrophobicContact CG2-CB 4.12Å; I432-L475 HydrophobicContact CB-CB 4.3Å; I432-L475 HydrophobicContact CD1-CB 4.16Å; I432-L475 HydrophobicContact CD1-CD1 3.76Å; I432-L475 HydrophobicContact CG1-CB 4.06Å; I432-L475 HydrophobicContact CG1-CD1 4.16Å; I432-L475 PolarHBondContact N-O 2.86Å; I432-L475 VanDerWaalsContact N-O 3.14Å; I432-V476 HydrophobicContact CB-CG2 4.12Å; I432-V476 HydrophobicContact CG2-CG2 4.16Å; I432-V476 VanDerWaalsContact O-CA 3.25Å; I432-V476 WeakPolarHBondContact O-CA 3.46Å; I432-A479 WeakPolarHBondContact O-CB 3.31Å
433	H	97.1	Very high	96.5	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.046	20%	0.204	C	C	.	.	S	Bend	trans	-81.3	-31.1	-176.7	-58.3	81	0	0	0	111.2	R352 T353 W377 A479 D483 F485 R487	R352-H433 HydrophobicContact CB-CB 3.93Å; R352-H433 WeakPolarHBondContact CD-CD2 3.41Å; R352-H433 HydrophobicContact CG-CB 4.34Å; T353-H433 PolarHBondContact N-ND1 2.69Å; T353-H433 VanDerWaalsContact N-ND1 3.11Å; T353-H433 PolarHBondContact O-N 2.94Å; W377-H433 HydrophobicContact CH2-CB 4.37Å; W377-H433 HydrophobicContact CZ3-CB 3.97Å; H433-A479 HydrophobicContact CB-CB 4.35Å; H433-D483 IonicContact CD2-OD2 2.97Å; H433-D483 IonicContact CE1-OD2 2.58Å; H433-D483 IonicContact NE2-OD2 3.27Å; H433-D483 PolarHBondContact NE2-OD2 2.79Å; H433-F485 HydrophobicContact CB-CD1 4.01Å; H433-F485 HydrophobicContact CB-CE1 4.44Å; H433-F485 WeakPolarHBondContact O-CD1 3.43Å; H433-F485 WeakPolarHBondContact O-CE1 3.37Å; H433-R487 PolarHBondContact O-N 3.08Å
434	L	97.6	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.9	178.3	176.2	59.1	0	0	0	110.5	T353 A354 L355 L372 W377 I436 F485 R487 V489 A602	T353-L434 PolarHBondContact O-N 2.91Å; A354-L434 CarbonylContact C-O 3.46Å; A354-L434 WeakPolarHBondContact CA-O 3.32Å; A354-L434 HydrophobicContact CB-CB 4.12Å; A354-L434 HydrophobicContact CB-CD2 4.45Å; A354-L434 HydrophobicContact CB-CG 4.48Å; L355-L434 PolarHBondContact N-O 2.83Å; L372-L434 HydrophobicContact CD2-CD2 4.07Å; W377-L434 HydrophobicContact CH2-CB 4.13Å; W377-L434 HydrophobicContact CZ3-CB 3.78Å; L434-I436 HydrophobicContact CD1-CG1 4.04Å; L434-I436 HydrophobicContact CD2-CD1 4Å; L434-I436 HydrophobicContact CD2-CG1 4.11Å; L434-I436 HydrophobicContact CG-CD1 4.3Å; L434-I436 HydrophobicContact CG-CG1 3.84Å; L434-F485 HydrophobicContact CB-CE1 4.49Å; L434-R487 CarbonylContact C-O 3.41Å; L434-R487 WeakPolarHBondContact CA-O 3.36Å; L434-R487 HydrophobicContact CD1-CB 4.07Å; L434-R487 HydrophobicContact CD1-CG 4.26Å; L434-V489 HydrophobicContact CD1-CG2 4.17Å; L434-A602 HydrophobicContact CD1-CB 3.77Å; L434-A602 HydrophobicContact CD2-CB 3.83Å; L434-A602 HydrophobicContact CG-CB 4.43Å
435	F	98.6	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.2	169.5	176.1	-152.9	0	0	0	110	L355 T357 I432 L468 C469 V476 R487 I488 V489	L355-F435 HydrophobicContact CB-CD2 4Å; L355-F435 HydrophobicContact CD2-CD2 3.63Å; L355-F435 HydrophobicContact CD2-CE2 3.77Å; L355-F435 HydrophobicContact CD2-CG 4.28Å; L355-F435 HydrophobicContact CD2-CZ 4.48Å; L355-F435 HydrophobicContact CG-CD2 3.75Å; L355-F435 HydrophobicContact CG-CE2 4.03Å; T357-F435 HydrophobicContact CG2-CE2 3.95Å; T357-F435 HydrophobicContact CG2-CZ 4.47Å; I432-F435 HydrophobicContact CG2-CB 4.12Å; F435-L468 HydrophobicContact CE1-CB 4.09Å; F435-L468 HydrophobicContact CZ-CB 3.79Å; F435-L468 HydrophobicContact CZ-CD1 4.4Å; F435-C469 HydrophobicContact CE1-CB 4.41Å; F435-C469 VanDerWaalsContact CE1-SG 3.54Å; F435-V476 HydrophobicContact CB-CG2 4.31Å; F435-R487 PolarHBondContact N-O 3.04Å; F435-I488 HydrophobicContact CB-CG1 4.3Å; F435-I488 HydrophobicContact CD1-CG1 4.41Å; F435-I488 HydrophobicContact CD1-CG2 4.15Å; F435-I488 CarbonylContact O-C 3.53Å; F435-I488 WeakPolarHBondContact O-CA 3.5Å; F435-V489 PolarHBondContact O-N 3.45Å
436	I	98.7	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.8	173.6	-46.7	-178.5	0	0	0	109.3	L355 V356 T357 L368 L372 L434 N438 V489 V491 V598 L599	L355-I436 PolarHBondContact O-N 2.89Å; V356-I436 HydrophobicContact CG2-CB 4.41Å; V356-I436 HydrophobicContact CG2-CD1 4.26Å; T357-I436 PolarHBondContact N-O 2.89Å; T357-I436 VanDerWaalsContact N-O 3.15Å; L368-I436 HydrophobicContact CD1-CD1 4.29Å; L368-I436 HydrophobicContact CD1-CG2 3.99Å; L368-I436 HydrophobicContact CD2-CD1 4.24Å; L372-I436 HydrophobicContact CD1-CD1 4.21Å; L434-I436 HydrophobicContact CD1-CG1 4.04Å; L434-I436 HydrophobicContact CD2-CD1 4Å; L434-I436 HydrophobicContact CD2-CG1 4.11Å; L434-I436 HydrophobicContact CG-CD1 4.3Å; L434-I436 HydrophobicContact CG-CG1 3.84Å; I436-N438 VanDerWaalsContact C-N 3.34Å; I436-N438 HydrophobicContact CG2-CB 3.97Å; I436-N438 PolarHBondContact O-N 3.3Å; I436-N438 VanDerWaalsContact O-N 3.07Å; I436-V489 CarbonylContact C-O 3.5Å; I436-V489 WeakPolarHBondContact CA-O 3.31Å; I436-V491 HydrophobicContact CG2-CG2 4.32Å; I436-V598 HydrophobicContact CD1-CG1 4.35Å; I436-V598 HydrophobicContact CG2-CG1 3.74Å; I436-L599 HydrophobicContact CD1-CD2 4.46Å
437	S	98.4	Very high	96	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	85.2	170.6	-167.4	0	0	0	0	109.2	T357 V489 V491	T357-S437 WeakPolarHBondContact OG1-CA 3.32Å; S437-V489 PolarHBondContact N-O 3.13Å; S437-V491 PolarHBondContact O-N 2.7Å
438	N	98.1	Very high	95.9	Very high	18 Å²	18	31.5 Å²	31.5	10%	0.096	19%	0.186	C	C	.	.			trans	-101.4	-26.9	-173.4	157.8	91.4	0	0	0	113.7	T357 G358 G365 L368 I436 V491	T357-N438 WeakPolarHBondContact O-CB 3.29Å; T357-N438 PolarHBondContact O-ND2 2.9Å; T357-N438 PolarHBondContact OG1-N 2.71Å; G358-N438 PolarHBondContact O-ND2 3.16Å; G365-N438 WeakPolarHBondContact CA-ND2 3.45Å; G365-N438 PolarHBondContact N-ND2 2.93Å; L368-N438 HydrophobicContact CD1-CB 4.14Å; I436-N438 VanDerWaalsContact C-N 3.34Å; I436-N438 HydrophobicContact CG2-CB 3.97Å; I436-N438 PolarHBondContact O-N 3.3Å; I436-N438 VanDerWaalsContact O-N 3.07Å; N438-V491 HydrophobicContact CB-CG2 3.87Å
439	A	96.5	Very high	95.9	Very high	14 Å²	14	29.2 Å²	29.2	12%	0.116	17%	0.172	C	C	.	.			trans	-54.7	143	-177.3	0	0	0	0	0	112.4	T357 L412	T357-A439 PolarHBondContact O-N 2.57Å; T357-A439 PolarHBondContact OG1-N 2.85Å; T357-A439 VanDerWaalsContact OG1-N 3.09Å; L412-A439 HydrophobicContact CD1-CB 3.33Å; L412-A439 HydrophobicContact CG-CB 4.48Å
440	G	95.5	Very high	95.8	Very high	24 Å²	24	32.6 Å²	32.6	25%	0.247	19%	0.189	C	C	.	.			trans	-171.8	158.8	175.6	0	0	0	0	0	113.5	N461	G440-N461 WeakPolarHBondContact CA-OD1 3.44Å
441	V	94.9	Very high	95.6	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.109	17%	0.173	C	C	.	.			trans	-125.1	151	174.1	-66.5	0	0	0	0	109.5	Q457 V460 N461 Y529	V441-Q457 HydrophobicContact CG2-CB 4.26Å; V441-Q457 HydrophobicContact CG2-CG 4.12Å; V441-V460 HydrophobicContact CB-CG1 4.48Å; V441-V460 HydrophobicContact CG1-CG1 4.02Å; V441-V460 HydrophobicContact CG2-CB 3.84Å; V441-V460 HydrophobicContact CG2-CG1 3.94Å; V441-V460 HydrophobicContact CG2-CG2 4.33Å; V441-N461 PolarHBondContact N-OD1 3.26Å; V441-N461 PolarHBondContact O-ND2 3.43Å; V441-N461 PolarHBondContact O-OD1 3.32Å; V441-Y529 VanDerWaalsContact O-CD2 3.29Å; V441-Y529 WeakPolarHBondContact O-CD2 3.3Å; V441-Y529 WeakPolarHBondContact O-CE2 3.49Å
442	M	93.5	Very high	95.1	Very high	17 Å²	17	33 Å²	33	8%	0.084	19%	0.194	C	C	.	.			trans	-135.6	122.2	-178.4	-175.7	170.8	83.3	0	0	109.9	P444 Y529 L567 F568 T571	M442-P444 VanDerWaalsContact C-CD 3.41Å; M442-Y529 HydrophobicContact CB-CD2 4.01Å; M442-Y529 HydrophobicContact CB-CE1 4.37Å; M442-Y529 HydrophobicContact CB-CE2 3.77Å; M442-Y529 HydrophobicContact CB-CG 4.44Å; M442-Y529 HydrophobicContact CG-CD1 3.72Å; M442-Y529 HydrophobicContact CG-CD2 3.95Å; M442-Y529 HydrophobicContact CG-CE1 3.67Å; M442-Y529 HydrophobicContact CG-CE2 3.92Å; M442-Y529 HydrophobicContact CG-CG 3.88Å; M442-Y529 HydrophobicContact SD-CD1 3.97Å; M442-Y529 HydrophobicContact SD-CE1 3.43Å; M442-Y529 WeakPolarHBondContact SD-CE1 3.34Å; M442-Y529 HydrophobicContact SD-CE2 4.46Å; M442-L567 HydrophobicContact CB-CD1 3.6Å; M442-L567 HydrophobicContact CB-CD2 4.36Å; M442-L567 HydrophobicContact CB-CG 3.63Å; M442-L567 HydrophobicContact CE-CG 4.27Å; M442-L567 HydrophobicContact SD-CD2 4.17Å; M442-L567 HydrophobicContact SD-CG 4.17Å; M442-F568 HydrophobicContact CE-CD1 3.91Å; M442-F568 HydrophobicContact CE-CE1 3.99Å; M442-F568 HydrophobicContact CE-CG 4.27Å; M442-F568 HydrophobicContact CE-CZ 4.44Å; M442-T571 HydrophobicContact CE-CG2 3.31Å
443	M	92.5	Very high	94.7	Very high	22 Å²	22	34.6 Å²	34.6	11%	0.108	21%	0.21	C	C	.	.	S	Bend	trans	51	41.8	174.9	-53.8	165.6	-173.6	0	0	115.6	L319 H526 H570 T571	L319-M443 HydrophobicContact CD2-CE 3.37Å; M443-H526 HydrophobicContact CE-CB 4.34Å; M443-H526 WeakPolarHBondContact CE-CD2 3.41Å; M443-H570 VanDerWaalsContact O-CB 3.32Å; M443-H570 WeakPolarHBondContact O-CB 3.25Å; M443-T571 HydrophobicContact SD-CG2 4.2Å
444	P	93.4	Very high	94.6	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.104	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63.3	159.6	168.4	34.6	-33.6	0	0	0	110.5	M442 Q457 Y523	M442-P444 VanDerWaalsContact C-CD 3.41Å; P444-Q457 HydrophobicContact CG-CG 3.44Å; P444-Q457 VanDerWaalsContact CG-CG 3.44Å; P444-Y523 WeakPolarHBondContact O-CE1 3.43Å; P444-Y523 PolarHBondContact O-OH 2.98Å
445	P	92.8	Very high	94.5	Very high	96 Å²	96	34.5 Å²	34.5	62%	0.623	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-51.4	152.1	163.4	-22.8	33.9	0	0	0	111.1	A447	P445-A447 PolarHBondContact O-N 3.49Å
446	Y	94.5	Very high	94.5	Very high	49 Å²	49	35 Å²	35	19%	0.192	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-56.7	131.5	177.8	-178.3	-98.8	0	0	0	110.7	T448 E455 R519 Q520 Y523	Y446-T448 HydrophobicContact CE1-CG2 3.99Å; Y446-T448 WeakPolarHBondContact OH-CG2 3.15Å; Y446-E455 HydrophobicContact CD2-CG 4.12Å; Y446-E455 HydrophobicContact CE2-CG 4.01Å; Y446-R519 HydrophobicContact CE2-CB 4.33Å; Y446-R519 WeakPolarHBondContact OH-CB 3.22Å; Y446-Q520 HydrophobicContact CD1-CB 3.51Å; Y446-Q520 HydrophobicContact CD1-CG 3.51Å; Y446-Q520 HydrophobicContact CE1-CB 3.62Å; Y446-Q520 HydrophobicContact CE1-CG 4.14Å; Y446-Q520 HydrophobicContact CG-CB 4.11Å; Y446-Q520 HydrophobicContact CG-CG 3.98Å; Y446-Y523 HydrophobicContact CD2-CD1 4.11Å; Y446-Y523 AromaticContact CD2-CD2 3.69Å; Y446-Y523 HydrophobicContact CD2-CD2 3.69Å; Y446-Y523 HydrophobicContact CD2-CE2 4.3Å; Y446-Y523 AromaticContact CD2-CG 3.55Å; Y446-Y523 HydrophobicContact CD2-CG 3.55Å; Y446-Y523 HydrophobicContact CE2-CD2 4.43Å; Y446-Y523 HydrophobicContact CG-CD1 4.35Å; Y446-Y523 HydrophobicContact CG-CG 4.19Å
447	A	95.8	Very high	94.4	Very high	47 Å²	47	35 Å²	35	39%	0.388	21%	0.213	S	C	.	.			trans	-152.9	151.6	170.7	0	0	0	0	0	108.7	P445 S456	P445-A447 PolarHBondContact O-N 3.49Å; A447-S456 WeakPolarHBondContact O-CB 3.19Å; A447-S456 PolarHBondContact O-N 3.11Å
448	T	94.8	Very high	94.4	Very high	81 Å²	81	34.9 Å²	34.9	50%	0.497	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-103.9	156.1	172.8	54.6	0	0	0	0	110.7	Y446 G453 S454	Y446-T448 HydrophobicContact CE1-CG2 3.99Å; Y446-T448 WeakPolarHBondContact OH-CG2 3.15Å; T448-G453 WeakPolarHBondContact CG2-O 3.27Å; T448-S454 CarbonylContact C-O 3.33Å; T448-S454 VanDerWaalsContact CA-O 3.23Å; T448-S454 WeakPolarHBondContact CA-O 3.32Å
449	T	95.4	Very high	94.3	Very high	18 Å²	18	34 Å²	34	11%	0.11	21%	0.208	C	C	.	.			trans	-107.9	170.6	178	61.4	0	0	0	0	112.3	R413 W451 G453 S454 M459	R413-T449 HydrophobicContact CB-CG2 4.21Å; R413-T449 WeakPolarHBondContact O-CB 3.33Å; R413-T449 WeakPolarHBondContact O-CG2 3.48Å; T449-W451 PolarHBondContact O-N 2.98Å; T449-G453 WeakPolarHBondContact O-CA 3.38Å; T449-G453 PolarHBondContact O-N 2.91Å; T449-S454 PolarHBondContact N-O 2.88Å; T449-S454 PolarHBondContact OG1-O 3.05Å; T449-M459 HydrophobicContact CG2-CB 3.71Å; T449-M459 HydrophobicContact CG2-CG 3.79Å
450	D	93.2	Very high	94.4	Very high	87 Å²	87	33.8 Å²	33.8	47%	0.465	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.8	175.1	66.1	-32.5	0	0	0	112.5	S415 N452	S415-D450 WeakPolarHBondContact CB-OD2 3.36Å; S415-D450 PolarHBondContact N-OD1 3.24Å; S415-D450 PolarHBondContact N-OD2 3.3Å; S415-D450 PolarHBondContact OG-OD2 2.9Å; D450-N452 PolarHBondContact O-N 3.38Å; D450-N452 VanDerWaalsContact O-N 3.11Å
451	W	90.8	Very high	94.5	Very high	44 Å²	44	32.7 Å²	32.7	17%	0.167	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	95.3	176.6	-167.1	-100.7	0	0	0	113.1	T449 G453 S454 M459 M467 L639 L642	T449-W451 PolarHBondContact O-N 2.98Å; W451-G453 PolarHBondContact O-N 3.45Å; W451-S454 VanDerWaalsContact O-CB 3.24Å; W451-S454 WeakPolarHBondContact O-CB 3.27Å; W451-S454 PolarHBondContact O-N 2.95Å; W451-S454 PolarHBondContact O-OG 2.87Å; W451-M459 HydrophobicContact CB-CE 4.01Å; W451-M459 HydrophobicContact CB-SD 3.81Å; W451-M459 HydrophobicContact CG-SD 4.22Å; W451-M467 HydrophobicContact CD2-CE 3.49Å; W451-M467 VanDerWaalsContact CD2-CE 3.49Å; W451-M467 HydrophobicContact CE3-CE 3.96Å; W451-M467 HydrophobicContact CG-CE 3.84Å; W451-M467 HydrophobicContact CH2-CE 4.48Å; W451-M467 HydrophobicContact CZ2-CE 4.04Å; W451-M467 HydrophobicContact CZ3-CE 4.42Å; W451-L639 HydrophobicContact CZ2-CD2 3.7Å; W451-L642 HydrophobicContact CH2-CD1 3.12Å; W451-L642 HydrophobicContact CH2-CD2 3.72Å; W451-L642 HydrophobicContact CH2-CG 4.04Å; W451-L642 HydrophobicContact CZ2-CD1 3.51Å; W451-L642 HydrophobicContact CZ3-CD1 3.98Å; W451-L642 HydrophobicContact CZ3-CD2 4.48Å
452	N	87.2	Confident	94.7	Very high	130 Å²	130	31.9 Å²	31.9	70%	0.695	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	27.4	175	-66.7	-23	0	0	0	114.7	D450 S454	D450-N452 PolarHBondContact O-N 3.38Å; D450-N452 VanDerWaalsContact O-N 3.11Å; N452-S454 PolarHBondContact O-N 3.29Å
453	G	90.1	Very high	94.9	Very high	32 Å²	32	31.4 Å²	31.4	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	26.5	-175.3	0	0	0	0	0	113.8	T448 T449 W451	T448-G453 WeakPolarHBondContact CG2-O 3.27Å; T449-G453 WeakPolarHBondContact O-CA 3.38Å; T449-G453 PolarHBondContact O-N 2.91Å; W451-G453 PolarHBondContact O-N 3.45Å
454	S	94.2	Very high	95.1	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	18%	0.181	C	C	.	.			trans	-63.8	146.7	-179.3	-58.9	0	0	0	0	111.6	T448 T449 W451 N452 G509	T448-S454 CarbonylContact C-O 3.33Å; T448-S454 VanDerWaalsContact CA-O 3.23Å; T448-S454 WeakPolarHBondContact CA-O 3.32Å; T449-S454 PolarHBondContact N-O 2.88Å; T449-S454 PolarHBondContact OG1-O 3.05Å; W451-S454 VanDerWaalsContact O-CB 3.24Å; W451-S454 WeakPolarHBondContact O-CB 3.27Å; W451-S454 PolarHBondContact O-N 2.95Å; W451-S454 PolarHBondContact O-OG 2.87Å; N452-S454 PolarHBondContact O-N 3.29Å; S454-G509 CarbonylContact C-O 3.59Å; S454-G509 WeakPolarHBondContact CA-O 3.4Å
455	E	97	Very high	95.4	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.023	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-62.6	137.1	174.7	-169.6	-77	123.6	0	0	110.7	Y446 Q457 W458 M459 G509 Y523 S528	Y446-E455 HydrophobicContact CD2-CG 4.12Å; Y446-E455 HydrophobicContact CE2-CG 4.01Å; E455-Q457 PolarHBondContact O-N 2.93Å; E455-Q457 PolarHBondContact OE1-N 3.37Å; E455-Q457 VanDerWaalsContact OE2-CB 3.27Å; E455-Q457 WeakPolarHBondContact OE2-CB 3.12Å; E455-Q457 PolarHBondContact OE2-N 3.36Å; E455-W458 HydrophobicContact CB-CB 4.31Å; E455-W458 WeakPolarHBondContact O-CB 3.36Å; E455-W458 PolarHBondContact O-N 3.43Å; E455-W458 VanDerWaalsContact O-N 3.15Å; E455-W458 PolarHBondContact OE2-N 3.45Å; E455-M459 PolarHBondContact O-N 3.33Å; E455-G509 PolarHBondContact N-O 3.41Å; E455-Y523 HydrophobicContact CG-CD2 4.07Å; E455-Y523 HydrophobicContact CG-CE2 3.74Å; E455-Y523 PolarHBondContact OE1-OH 2.84Å; E455-S528 PolarHBondContact OE2-OG 3.27Å
456	S	96.8	Very high	95.6	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-40.4	-170.8	68.2	0	0	0	0	116.1	A447 V460	A447-S456 WeakPolarHBondContact O-CB 3.19Å; A447-S456 PolarHBondContact O-N 3.11Å; S456-V460 WeakPolarHBondContact O-CG2 3.18Å; S456-V460 PolarHBondContact O-N 2.9Å
457	Q	96.8	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-43.4	175.4	-58.1	-168.8	90.1	0	0	110.7	V441 P444 E455 M459 V460 N461 Y523 S525	V441-Q457 HydrophobicContact CG2-CB 4.26Å; V441-Q457 HydrophobicContact CG2-CG 4.12Å; P444-Q457 HydrophobicContact CG-CG 3.44Å; P444-Q457 VanDerWaalsContact CG-CG 3.44Å; E455-Q457 PolarHBondContact O-N 2.93Å; E455-Q457 PolarHBondContact OE1-N 3.37Å; E455-Q457 VanDerWaalsContact OE2-CB 3.27Å; E455-Q457 WeakPolarHBondContact OE2-CB 3.12Å; E455-Q457 PolarHBondContact OE2-N 3.36Å; Q457-M459 VanDerWaalsContact C-N 3.29Å; Q457-M459 PolarHBondContact O-N 3.43Å; Q457-V460 PolarHBondContact O-N 3.04Å; Q457-N461 WeakPolarHBondContact O-CB 3.39Å; Q457-N461 PolarHBondContact O-N 2.93Å; Q457-Y523 PolarHBondContact NE2-OH 3.25Å; Q457-S525 PolarHBondContact NE2-O 3.41Å
458	W	97.9	Very high	95.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-43.7	175.5	-173.7	-111.9	0	0	0	111.8	E455 Y462 L463 I501 W505 F506 G510 A535	E455-W458 HydrophobicContact CB-CB 4.31Å; E455-W458 WeakPolarHBondContact O-CB 3.36Å; E455-W458 PolarHBondContact O-N 3.43Å; E455-W458 VanDerWaalsContact O-N 3.15Å; E455-W458 PolarHBondContact OE2-N 3.45Å; W458-Y462 HydrophobicContact CD2-CD1 4.02Å; W458-Y462 HydrophobicContact CD2-CG 4.42Å; W458-Y462 AromaticContact CE2-CD1 3.36Å; W458-Y462 AromaticContact CE2-CE1 3.95Å; W458-Y462 HydrophobicContact CE3-CD1 4.4Å; W458-Y462 HydrophobicContact CE3-CG 4.41Å; W458-Y462 AromaticContact CH2-CD1 3.61Å; W458-Y462 HydrophobicContact CH2-CD1 3.61Å; W458-Y462 HydrophobicContact CH2-CD2 4.37Å; W458-Y462 AromaticContact CH2-CE1 3.98Å; W458-Y462 HydrophobicContact CH2-CE1 3.98Å; W458-Y462 AromaticContact CH2-CG 3.83Å; W458-Y462 HydrophobicContact CH2-CG 3.83Å; W458-Y462 AromaticContact CZ2-CD1 3.14Å; W458-Y462 HydrophobicContact CZ2-CD1 3.14Å; W458-Y462 AromaticContact CZ2-CE1 3.39Å; W458-Y462 HydrophobicContact CZ2-CE1 3.39Å; W458-Y462 AromaticContact CZ2-CG 3.85Å; W458-Y462 HydrophobicContact CZ2-CG 3.85Å; W458-Y462 HydrophobicContact CZ3-CD1 4.22Å; W458-Y462 HydrophobicContact CZ3-CG 4.12Å; W458-Y462 AromaticContact NE1-CD1 3.82Å; W458-Y462 WeakPolarHBondContact O-CB 3.36Å; W458-Y462 PolarHBondContact O-N 3.3Å; W458-L463 PolarHBondContact O-N 3.13Å; W458-L463 VanDerWaalsContact O-N 3.09Å; W458-I501 HydrophobicContact CH2-CD1 3.82Å; W458-I501 HydrophobicContact CZ3-CD1 4.08Å; W458-W505 AromaticContact CD2-NE1 3.98Å; W458-W505 AromaticContact CE3-CD1 3.82Å; W458-W505 AromaticContact CE3-NE1 3.5Å; W458-W505 AromaticContact CH2-CD1 3.72Å; W458-W505 AromaticContact CZ3-CD1 3.61Å; W458-W505 AromaticContact CZ3-NE1 3.65Å; W458-F506 HydrophobicContact CH2-CD1 4.11Å; W458-F506 AromaticContact CH2-CE1 3.69Å; W458-F506 HydrophobicContact CH2-CE1 3.69Å; W458-F506 AromaticContact CH2-CZ 3.93Å; W458-F506 HydrophobicContact CH2-CZ 3.93Å; W458-F506 AromaticContact CZ2-CD1 3.59Å; W458-F506 HydrophobicContact CZ2-CD1 3.59Å; W458-F506 AromaticContact CZ2-CE1 3.64Å; W458-F506 HydrophobicContact CZ2-CE1 3.64Å; W458-F506 HydrophobicContact CZ2-CG 4.17Å; W458-F506 HydrophobicContact CZ2-CZ 4.27Å; W458-G510 VanDerWaalsContact CG-CA 3.47Å; W458-A535 HydrophobicContact CH2-CB 3.43Å; W458-A535 VanDerWaalsContact CH2-CB 3.43Å; W458-A535 HydrophobicContact CZ3-CB 3.65Å
459	M	97.6	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-59.7	-54.8	175.4	-177.6	59.4	-174.4	0	0	111.7	I418 T449 W451 E455 Q457 L463 A464 M467	I418-M459 HydrophobicContact CD1-CE 3.59Å; T449-M459 HydrophobicContact CG2-CB 3.71Å; T449-M459 HydrophobicContact CG2-CG 3.79Å; W451-M459 HydrophobicContact CB-CE 4.01Å; W451-M459 HydrophobicContact CB-SD 3.81Å; W451-M459 HydrophobicContact CG-SD 4.22Å; E455-M459 PolarHBondContact O-N 3.33Å; Q457-M459 VanDerWaalsContact C-N 3.29Å; Q457-M459 PolarHBondContact O-N 3.43Å; M459-L463 PolarHBondContact O-N 3.35Å; M459-L463 HydrophobicContact SD-CB 3.72Å; M459-L463 HydrophobicContact SD-CD1 3.86Å; M459-L463 HydrophobicContact SD-CG 4.43Å; M459-A464 HydrophobicContact CE-CB 4.45Å; M459-A464 VanDerWaalsContact O-CB 3.28Å; M459-A464 WeakPolarHBondContact O-CB 3.46Å; M459-A464 PolarHBondContact O-N 3.35Å; M459-M467 HydrophobicContact CE-CE 4.12Å; M459-M467 HydrophobicContact CE-SD 4.13Å
460	V	97.9	Very high	96.1	Very high	9 Å²	9	16.9 Å²	16.9	6%	0.055	10%	0.095	C	C	.	.	I	π-helix	trans	-72.7	-37	-173.4	173.2	0	0	0	0	113.1	L412 R413 V441 S456 Q457 P465	L412-V460 HydrophobicContact CB-CG1 4.21Å; L412-V460 HydrophobicContact CB-CG2 4.29Å; R413-V460 HydrophobicContact CB-CG2 4.36Å; R413-V460 HydrophobicContact CG-CG2 3.36Å; V441-V460 HydrophobicContact CB-CG1 4.48Å; V441-V460 HydrophobicContact CG1-CG1 4.02Å; V441-V460 HydrophobicContact CG2-CB 3.84Å; V441-V460 HydrophobicContact CG2-CG1 3.94Å; V441-V460 HydrophobicContact CG2-CG2 4.33Å; S456-V460 WeakPolarHBondContact O-CG2 3.18Å; S456-V460 PolarHBondContact O-N 2.9Å; Q457-V460 PolarHBondContact O-N 3.04Å; V460-P465 WeakPolarHBondContact O-CD 3.29Å
461	N	98.1	Very high	96.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	8%	0.079	C	C	.	.	I	π-helix	trans	-93.6	-19.5	-171.8	-65	-19.4	0	0	0	113.8	G440 V441 Q457 Y529 S532	G440-N461 WeakPolarHBondContact CA-OD1 3.44Å; V441-N461 PolarHBondContact N-OD1 3.26Å; V441-N461 PolarHBondContact O-ND2 3.43Å; V441-N461 PolarHBondContact O-OD1 3.32Å; Q457-N461 WeakPolarHBondContact O-CB 3.39Å; Q457-N461 PolarHBondContact O-N 2.93Å; N461-Y529 WeakPolarHBondContact ND2-CD2 3.38Å; N461-S532 WeakPolarHBondContact CB-OG 3.24Å; N461-S532 PolarHBondContact ND2-OG 2.87Å; N461-S532 VanDerWaalsContact ND2-OG 3.15Å
462	Y	98.4	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-126.3	-63.8	-178.6	172.4	-103.7	0	0	0	112.4	W458 A464 P465 V466 F506 A535 V536	W458-Y462 HydrophobicContact CD2-CD1 4.02Å; W458-Y462 HydrophobicContact CD2-CG 4.42Å; W458-Y462 AromaticContact CE2-CD1 3.36Å; W458-Y462 AromaticContact CE2-CE1 3.95Å; W458-Y462 HydrophobicContact CE3-CD1 4.4Å; W458-Y462 HydrophobicContact CE3-CG 4.41Å; W458-Y462 AromaticContact CH2-CD1 3.61Å; W458-Y462 HydrophobicContact CH2-CD1 3.61Å; W458-Y462 HydrophobicContact CH2-CD2 4.37Å; W458-Y462 AromaticContact CH2-CE1 3.98Å; W458-Y462 HydrophobicContact CH2-CE1 3.98Å; W458-Y462 AromaticContact CH2-CG 3.83Å; W458-Y462 HydrophobicContact CH2-CG 3.83Å; W458-Y462 AromaticContact CZ2-CD1 3.14Å; W458-Y462 HydrophobicContact CZ2-CD1 3.14Å; W458-Y462 AromaticContact CZ2-CE1 3.39Å; W458-Y462 HydrophobicContact CZ2-CE1 3.39Å; W458-Y462 AromaticContact CZ2-CG 3.85Å; W458-Y462 HydrophobicContact CZ2-CG 3.85Å; W458-Y462 HydrophobicContact CZ3-CD1 4.22Å; W458-Y462 HydrophobicContact CZ3-CG 4.12Å; W458-Y462 AromaticContact NE1-CD1 3.82Å; W458-Y462 WeakPolarHBondContact O-CB 3.36Å; W458-Y462 PolarHBondContact O-N 3.3Å; Y462-A464 PolarHBondContact O-N 3.16Å; Y462-P465 VanDerWaalsContact O-CD 3.31Å; Y462-P465 WeakPolarHBondContact O-CD 3.48Å; Y462-V466 HydrophobicContact CD2-CG2 4.04Å; Y462-V466 HydrophobicContact CE2-CG2 3.7Å; Y462-V466 VanDerWaalsContact O-CG2 3.29Å; Y462-V466 WeakPolarHBondContact O-CG2 3.47Å; Y462-V466 PolarHBondContact O-N 3.4Å; Y462-F506 AromaticContact CE1-CD1 4Å; Y462-F506 HydrophobicContact CE1-CD1 4Å; Y462-F506 AromaticContact CE1-CE1 3.84Å; Y462-F506 HydrophobicContact CE1-CE1 3.84Å; Y462-F506 HydrophobicContact CE2-CE1 4.31Å; Y462-F506 AromaticContact CZ-CE1 3.61Å; Y462-F506 WeakPolarHBondContact OH-CE1 3.5Å; Y462-A535 HydrophobicContact CD2-CB 3.49Å; Y462-A535 VanDerWaalsContact CD2-CB 3.49Å; Y462-A535 HydrophobicContact CE2-CB 3.74Å; Y462-A535 HydrophobicContact CG-CB 4.06Å; Y462-V536 HydrophobicContact CD2-CB 4.28Å; Y462-V536 HydrophobicContact CD2-CG2 4.49Å
463	L	97.8	Very high	97	Very high	8 Å²	8	5.8 Å²	5.8	4%	0.042	4%	0.042	C	C	.	.	I	π-helix	trans	-62.1	-48.3	-171.5	-64.2	172.7	0	0	0	112.3	W458 M459 V466 M467 L639	W458-L463 PolarHBondContact O-N 3.13Å; W458-L463 VanDerWaalsContact O-N 3.09Å; M459-L463 PolarHBondContact O-N 3.35Å; M459-L463 HydrophobicContact SD-CB 3.72Å; M459-L463 HydrophobicContact SD-CD1 3.86Å; M459-L463 HydrophobicContact SD-CG 4.43Å; L463-V466 PolarHBondContact O-N 3.09Å; L463-M467 WeakPolarHBondContact O-CB 3.32Å; L463-M467 VanDerWaalsContact O-CG 3.28Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 2.83Å; L463-L639 HydrophobicContact CD2-CD1 4.12Å
464	A	97.8	Very high	97.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-44.8	179.9	0	0	0	0	0	112.9	L412 I418 M459 Y462 V466 M467 L468	L412-A464 HydrophobicContact CB-CB 3.85Å; L412-A464 HydrophobicContact CD1-CB 4.39Å; L412-A464 HydrophobicContact CD2-CB 4.19Å; L412-A464 HydrophobicContact CG-CB 4.37Å; I418-A464 HydrophobicContact CD1-CB 3.47Å; I418-A464 VanDerWaalsContact CD1-CB 3.47Å; I418-A464 HydrophobicContact CG1-CB 4.48Å; M459-A464 HydrophobicContact CE-CB 4.45Å; M459-A464 VanDerWaalsContact O-CB 3.28Å; M459-A464 WeakPolarHBondContact O-CB 3.46Å; M459-A464 PolarHBondContact O-N 3.35Å; Y462-A464 PolarHBondContact O-N 3.16Å; A464-V466 VanDerWaalsContact C-N 3.33Å; A464-V466 PolarHBondContact O-N 3.36Å; A464-M467 PolarHBondContact O-N 3.44Å; A464-L468 WeakPolarHBondContact O-CB 3.49Å; A464-L468 WeakPolarHBondContact O-CG 3.34Å; A464-L468 PolarHBondContact O-N 3.38Å
465	P	98.2	Very high	97.5	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-53.7	-44.2	168.2	-33.7	38.4	0	0	0	114.2	V460 Y462 C469 V536	V460-P465 WeakPolarHBondContact O-CD 3.29Å; Y462-P465 VanDerWaalsContact O-CD 3.31Å; Y462-P465 WeakPolarHBondContact O-CD 3.48Å; P465-C469 WeakPolarHBondContact O-CB 3.49Å; P465-C469 PolarHBondContact O-N 3.11Å; P465-C469 PolarHBondContact O-SG 3.32Å; P465-V536 HydrophobicContact CB-CG2 3.89Å; P465-V536 HydrophobicContact CG-CG2 4.49Å
466	V	97.9	Very high	97.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-51	177.1	174.2	0	0	0	0	110.2	Y462 L463 A464 L468 C469 E470 Y539 A636 L639	Y462-V466 HydrophobicContact CD2-CG2 4.04Å; Y462-V466 HydrophobicContact CE2-CG2 3.7Å; Y462-V466 VanDerWaalsContact O-CG2 3.29Å; Y462-V466 WeakPolarHBondContact O-CG2 3.47Å; Y462-V466 PolarHBondContact O-N 3.4Å; L463-V466 PolarHBondContact O-N 3.09Å; A464-V466 VanDerWaalsContact C-N 3.33Å; A464-V466 PolarHBondContact O-N 3.36Å; V466-L468 VanDerWaalsContact C-N 3.3Å; V466-L468 PolarHBondContact O-N 2.95Å; V466-C469 PolarHBondContact O-N 3.03Å; V466-C469 VanDerWaalsContact O-N 3.11Å; V466-E470 HydrophobicContact CG1-CG 4.11Å; V466-E470 WeakPolarHBondContact O-CG 3.32Å; V466-E470 PolarHBondContact O-N 3.25Å; V466-Y539 HydrophobicContact CB-CE1 4.44Å; V466-Y539 HydrophobicContact CB-CE2 4.37Å; V466-Y539 HydrophobicContact CG1-CD2 4.22Å; V466-Y539 HydrophobicContact CG1-CE2 3.76Å; V466-Y539 HydrophobicContact CG2-CD1 3.79Å; V466-Y539 HydrophobicContact CG2-CD2 3.82Å; V466-Y539 HydrophobicContact CG2-CE1 4Å; V466-Y539 HydrophobicContact CG2-CE2 4.04Å; V466-Y539 HydrophobicContact CG2-CG 3.69Å; V466-A636 HydrophobicContact CG1-CB 4.02Å; V466-L639 HydrophobicContact CB-CD1 4Å; V466-L639 HydrophobicContact CG1-CB 4.47Å; V466-L639 HydrophobicContact CG1-CD1 3.65Å
467	M	97.7	Very high	97.7	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.015	6%	0.056	C	C	.	.	H	α-helix	trans	-50.8	-49.3	176.2	-73.7	174.3	-178.1	0	0	112	I418 W451 M459 L463 A464 A471 L639 F643	I418-M467 HydrophobicContact CD1-SD 3.95Å; I418-M467 HydrophobicContact CG2-CB 4.19Å; I418-M467 HydrophobicContact CG2-SD 4.35Å; W451-M467 HydrophobicContact CD2-CE 3.49Å; W451-M467 VanDerWaalsContact CD2-CE 3.49Å; W451-M467 HydrophobicContact CE3-CE 3.96Å; W451-M467 HydrophobicContact CG-CE 3.84Å; W451-M467 HydrophobicContact CH2-CE 4.48Å; W451-M467 HydrophobicContact CZ2-CE 4.04Å; W451-M467 HydrophobicContact CZ3-CE 4.42Å; M459-M467 HydrophobicContact CE-CE 4.12Å; M459-M467 HydrophobicContact CE-SD 4.13Å; L463-M467 WeakPolarHBondContact O-CB 3.32Å; L463-M467 VanDerWaalsContact O-CG 3.28Å; L463-M467 WeakPolarHBondContact O-CG 3.42Å; L463-M467 PolarHBondContact O-N 2.83Å; A464-M467 PolarHBondContact O-N 3.44Å; M467-A471 WeakPolarHBondContact O-CB 3.46Å; M467-A471 PolarHBondContact O-N 3.08Å; M467-L639 HydrophobicContact CE-CD2 3.39Å; M467-L639 HydrophobicContact CG-CB 4.29Å; M467-L639 HydrophobicContact CG-CD1 3.99Å; M467-L639 HydrophobicContact CG-CD2 3.81Å; M467-L639 HydrophobicContact CG-CG 4.24Å; M467-L639 HydrophobicContact SD-CD2 4.45Å; M467-F643 HydrophobicContact CB-CE2 3.72Å; M467-F643 HydrophobicContact CB-CZ 3.96Å; M467-F643 HydrophobicContact CG-CE2 4Å; M467-F643 HydrophobicContact CG-CZ 4.32Å
468	L	98	Very high	97.7	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-66.9	-40.7	179.6	-69.6	173.3	0	0	0	112.3	T357 L412 I418 L421 V422 F435 A464 V466 L472	T357-L468 HydrophobicContact CG2-CD1 3.89Å; L412-L468 HydrophobicContact CD2-CD1 3.87Å; I418-L468 HydrophobicContact CG2-CD2 3.99Å; I418-L468 HydrophobicContact CG2-CG 4.34Å; L421-L468 HydrophobicContact CD2-CD2 4Å; V422-L468 HydrophobicContact CG2-CD2 3.86Å; F435-L468 HydrophobicContact CE1-CB 4.09Å; F435-L468 HydrophobicContact CZ-CB 3.79Å; F435-L468 HydrophobicContact CZ-CD1 4.4Å; A464-L468 WeakPolarHBondContact O-CB 3.49Å; A464-L468 WeakPolarHBondContact O-CG 3.34Å; A464-L468 PolarHBondContact O-N 3.38Å; V466-L468 VanDerWaalsContact C-N 3.3Å; V466-L468 PolarHBondContact O-N 2.95Å; L468-L472 HydrophobicContact CD2-CD1 4.35Å; L468-L472 WeakPolarHBondContact O-CB 3.43Å; L468-L472 VanDerWaalsContact O-CG 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 2.93Å
469	C	97.9	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65	-47.2	178	-71.2	0	0	0	0	111.1	F435 P465 V466 S473 Y539 L543	F435-C469 HydrophobicContact CE1-CB 4.41Å; F435-C469 VanDerWaalsContact CE1-SG 3.54Å; P465-C469 WeakPolarHBondContact O-CB 3.49Å; P465-C469 PolarHBondContact O-N 3.11Å; P465-C469 PolarHBondContact O-SG 3.32Å; V466-C469 PolarHBondContact O-N 3.03Å; V466-C469 VanDerWaalsContact O-N 3.11Å; C469-S473 WeakPolarHBondContact O-CA 3.43Å; C469-S473 WeakPolarHBondContact O-CB 3.24Å; C469-S473 PolarHBondContact O-N 3.2Å; C469-S473 PolarHBondContact O-OG 3.18Å; C469-Y539 HydrophobicContact CB-CE1 3.69Å; C469-Y539 WeakPolarHBondContact CB-OH 3.25Å; C469-L543 HydrophobicContact CB-CD2 4.11Å
470	E	96.6	Very high	97.6	Very high	17 Å²	17	12.7 Å²	12.7	8%	0.079	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-51.8	176.5	-65.2	-57.2	136.3	0	0	110.8	V466 L472 S473 Y539 R546 A640	V466-E470 HydrophobicContact CG1-CG 4.11Å; V466-E470 WeakPolarHBondContact O-CG 3.32Å; V466-E470 PolarHBondContact O-N 3.25Å; E470-L472 PolarHBondContact O-N 3.45Å; E470-S473 PolarHBondContact O-OG 3.02Å; E470-Y539 VanDerWaalsContact OE1-CE2 3.29Å; E470-Y539 WeakPolarHBondContact OE1-CE2 3.46Å; E470-Y539 PolarHBondContact OE1-OH 3.42Å; E470-R546 IonicContact OE1-CZ 3.54Å; E470-R546 IonicContact OE1-NH1 3.9Å; E470-R546 IonicContact OE1-NH2 3.83Å; E470-R546 PolarHBondContact OE1-NH2 2.87Å; E470-R546 IonicContact OE2-CZ 2.97Å; E470-R546 IonicContact OE2-NH1 3.6Å; E470-R546 PolarHBondContact OE2-NH1 2.97Å; E470-R546 IonicContact OE2-NH2 3.19Å; E470-R546 PolarHBondContact OE2-NH2 3.26Å; E470-A640 HydrophobicContact CB-CB 3.88Å; E470-A640 HydrophobicContact CG-CB 3.97Å
471	A	96.9	Very high	97.6	Very high	14 Å²	14	21 Å²	21	12%	0.116	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-34.8	-175.2	0	0	0	0	0	114.1	V422 M467 P474 F643	V422-A471 HydrophobicContact CB-CB 4.5Å; V422-A471 HydrophobicContact CG1-CB 3.78Å; V422-A471 HydrophobicContact CG2-CB 3.84Å; M467-A471 WeakPolarHBondContact O-CB 3.46Å; M467-A471 PolarHBondContact O-N 3.08Å; A471-P474 WeakPolarHBondContact O-CD 3.49Å; A471-F643 HydrophobicContact CB-CB 3.84Å; A471-F643 HydrophobicContact CB-CD1 3.94Å; A471-F643 HydrophobicContact CB-CD2 3.78Å; A471-F643 HydrophobicContact CB-CE1 4.43Å; A471-F643 HydrophobicContact CB-CE2 4.29Å; A471-F643 HydrophobicContact CB-CG 3.58Å
472	L	97.6	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-100.4	-8.9	-174.9	-57.1	177.3	0	0	0	113.3	L355 V422 I425 V426 L468 E470 P474 L475 V476	L355-L472 HydrophobicContact CD2-CD1 3.36Å; V422-L472 HydrophobicContact CG1-CD2 4.34Å; V422-L472 HydrophobicContact CG2-CD2 4.48Å; I425-L472 HydrophobicContact CB-CD2 4.23Å; I425-L472 HydrophobicContact CD1-CD1 4.09Å; I425-L472 HydrophobicContact CG2-CD2 3.87Å; V426-L472 HydrophobicContact CG2-CD2 4.13Å; L468-L472 HydrophobicContact CD2-CD1 4.35Å; L468-L472 WeakPolarHBondContact O-CB 3.43Å; L468-L472 VanDerWaalsContact O-CG 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 2.93Å; E470-L472 PolarHBondContact O-N 3.45Å; L472-P474 VanDerWaalsContact C-N 3.27Å; L472-L475 HydrophobicContact CD2-CD1 4.28Å; L472-L475 PolarHBondContact O-N 3.44Å; L472-V476 PolarHBondContact O-N 3.37Å
473	S	96.8	Very high	97.3	Very high	13 Å²	13	27.8 Å²	27.8	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-52.2	-36.8	175.1	62.8	0	0	0	0	113.5	C469 E470 L475 V476 L477	C469-S473 WeakPolarHBondContact O-CA 3.43Å; C469-S473 WeakPolarHBondContact O-CB 3.24Å; C469-S473 PolarHBondContact O-N 3.2Å; C469-S473 PolarHBondContact O-OG 3.18Å; E470-S473 PolarHBondContact O-OG 3.02Å; S473-L475 VanDerWaalsContact C-N 3.28Å; S473-L475 PolarHBondContact O-N 2.93Å; S473-V476 PolarHBondContact O-N 2.65Å; S473-L477 WeakPolarHBondContact O-CB 3.46Å; S473-L477 VanDerWaalsContact O-CG 3.28Å; S473-L477 WeakPolarHBondContact O-CG 3.24Å; S473-L477 PolarHBondContact O-N 3.05Å
474	P	96.6	Very high	97	Very high	78 Å²	78	32.9 Å²	32.9	51%	0.506	17%	0.167	S	C	.	.	H	α-helix	trans	-59.2	-36.8	176.6	-25	36.8	0	0	0	113.5	A471 L472 V476 K478	A471-P474 WeakPolarHBondContact O-CD 3.49Å; L472-P474 VanDerWaalsContact C-N 3.27Å; P474-V476 VanDerWaalsContact C-N 3.33Å; P474-K478 WeakPolarHBondContact O-CB 3.44Å; P474-K478 PolarHBondContact O-N 3.34Å
475	L	98.2	Very high	96.8	Very high	19 Å²	19	33.7 Å²	33.7	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-30.7	177	-59.6	-179.4	0	0	0	112.2	I425 V426 N430 I432 L472 S473 A479	I425-L475 HydrophobicContact CG2-CD1 3.88Å; V426-L475 HydrophobicContact CG2-CD1 4.25Å; N430-L475 WeakPolarHBondContact O-CD2 3.28Å; I432-L475 HydrophobicContact CB-CB 4.3Å; I432-L475 HydrophobicContact CD1-CB 4.16Å; I432-L475 HydrophobicContact CD1-CD1 3.76Å; I432-L475 HydrophobicContact CG1-CB 4.06Å; I432-L475 HydrophobicContact CG1-CD1 4.16Å; I432-L475 PolarHBondContact N-O 2.86Å; I432-L475 VanDerWaalsContact N-O 3.14Å; L472-L475 HydrophobicContact CD2-CD1 4.28Å; L472-L475 PolarHBondContact O-N 3.44Å; S473-L475 VanDerWaalsContact C-N 3.28Å; S473-L475 PolarHBondContact O-N 2.93Å; L475-A479 PolarHBondContact O-N 3.15Å
476	V	98.3	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-74.9	-42.8	175.4	-175.8	0	0	0	0	111.2	I432 F435 L472 S473 P474 K478 A479 A480 I488 F553	I432-V476 HydrophobicContact CB-CG2 4.12Å; I432-V476 HydrophobicContact CG2-CG2 4.16Å; I432-V476 VanDerWaalsContact O-CA 3.25Å; I432-V476 WeakPolarHBondContact O-CA 3.46Å; F435-V476 HydrophobicContact CB-CG2 4.31Å; L472-V476 PolarHBondContact O-N 3.37Å; S473-V476 PolarHBondContact O-N 2.65Å; P474-V476 VanDerWaalsContact C-N 3.33Å; V476-K478 VanDerWaalsContact C-N 3.27Å; V476-K478 PolarHBondContact O-N 3.42Å; V476-A479 WeakPolarHBondContact O-CB 3.24Å; V476-A479 PolarHBondContact O-N 2.83Å; V476-A479 VanDerWaalsContact O-N 3.17Å; V476-A480 PolarHBondContact O-N 2.92Å; V476-I488 HydrophobicContact CG1-CG1 4.09Å; V476-I488 HydrophobicContact CG2-CD1 4.41Å; V476-I488 HydrophobicContact CG2-CG1 4.21Å; V476-F553 HydrophobicContact CG1-CD2 4.05Å; V476-F553 HydrophobicContact CG1-CE2 4.03Å
477	L	98.1	Very high	96.7	Very high	25 Å²	25	34.3 Å²	34.3	13%	0.131	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-34.5	175.5	-67.8	177.2	0	0	0	111.8	S473 A480 K481 L547 H550 F553	S473-L477 WeakPolarHBondContact O-CB 3.46Å; S473-L477 VanDerWaalsContact O-CG 3.28Å; S473-L477 WeakPolarHBondContact O-CG 3.24Å; S473-L477 PolarHBondContact O-N 3.05Å; L477-A480 PolarHBondContact O-N 2.95Å; L477-K481 WeakPolarHBondContact O-CB 3.41Å; L477-K481 PolarHBondContact O-N 3.01Å; L477-L547 HydrophobicContact CD1-CD1 4.39Å; L477-L547 HydrophobicContact CD1-CD2 4.17Å; L477-L547 HydrophobicContact CD2-CD1 4.3Å; L477-H550 HydrophobicContact CD2-CB 3.74Å; L477-F553 HydrophobicContact CD2-CB 4.03Å; L477-F553 HydrophobicContact CD2-CD2 3.73Å; L477-F553 HydrophobicContact CD2-CE2 4.34Å; L477-F553 HydrophobicContact CD2-CG 3.83Å
478	K	97.9	Very high	96.7	Very high	73 Å²	73	34.2 Å²	34.2	32%	0.317	17%	0.172	S	C	.	.	H	α-helix	trans	-62.8	-44.2	172.1	-168.8	172.5	-176.9	172.8	0	112	N430 R431 P474 V476 K481 E482	N430-K478 PolarHBondContact OD1-NZ 3.22Å; R431-K478 HydrophobicContact CG-CB 4.31Å; R431-K478 HydrophobicContact CG-CD 4.06Å; R431-K478 HydrophobicContact CG-CG 3.94Å; P474-K478 WeakPolarHBondContact O-CB 3.44Å; P474-K478 PolarHBondContact O-N 3.34Å; V476-K478 VanDerWaalsContact C-N 3.27Å; V476-K478 PolarHBondContact O-N 3.42Å; K478-K481 PolarHBondContact O-N 3.39Å; K478-E482 WeakPolarHBondContact CE-OE1 3.31Å; K478-E482 HydrophobicContact CG-CG 4.47Å; K478-E482 WeakPolarHBondContact CG-OE1 3.3Å; K478-E482 WeakPolarHBondContact O-CB 3.45Å; K478-E482 WeakPolarHBondContact O-CG 3.14Å; K478-E482 PolarHBondContact O-N 3.49Å
479	A	97.1	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-40.3	174.5	0	0	0	0	0	112.4	R431 I432 H433 L475 V476 D483 F485	R431-A479 HydrophobicContact CB-CB 4.23Å; I432-A479 WeakPolarHBondContact O-CB 3.31Å; H433-A479 HydrophobicContact CB-CB 4.35Å; L475-A479 PolarHBondContact O-N 3.15Å; V476-A479 WeakPolarHBondContact O-CB 3.24Å; V476-A479 PolarHBondContact O-N 2.83Å; V476-A479 VanDerWaalsContact O-N 3.17Å; A479-D483 WeakPolarHBondContact O-CA 3.13Å; A479-D483 WeakPolarHBondContact O-CB 3.43Å; A479-D483 PolarHBondContact O-N 2.85Å; A479-F485 CarbonylContact C-O 3.54Å; A479-F485 WeakPolarHBondContact CB-O 3.37Å
480	A	96.6	Very high	96.8	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-47.6	173.9	0	0	0	0	0	111.8	V476 L477 D484 F553	V476-A480 PolarHBondContact O-N 2.92Å; L477-A480 PolarHBondContact O-N 2.95Å; A480-D484 WeakPolarHBondContact O-CA 3.29Å; A480-D484 PolarHBondContact O-N 3.48Å; A480-D484 VanDerWaalsContact O-N 3.15Å; A480-F553 HydrophobicContact CB-CB 4.04Å
481	K	97.1	Very high	96.8	Very high	185 Å²	185	34 Å²	34	80%	0.804	17%	0.172	S	C	*	.	H	α-helix	trans	-67.8	-43.2	-178.7	-176.1	-178.6	178.3	-177	0	113.2	L477 K478	L477-K481 WeakPolarHBondContact O-CB 3.41Å; L477-K481 PolarHBondContact O-N 3.01Å; K478-K481 PolarHBondContact O-N 3.39Å
482	E	95.6	Very high	96.9	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.453	17%	0.167	S	C	.	.	H	α-helix	trans	-89.7	-32.5	-171.3	-67.4	178.4	-166.6	0	0	113.4	R431 K478	R431-E482 VanDerWaalsContact CD-OE2 3.28Å; R431-E482 WeakPolarHBondContact CD-OE2 3.44Å; R431-E482 IonicContact CZ-OE2 2.78Å; R431-E482 IonicContact NE-OE2 3.71Å; R431-E482 IonicContact NH1-OE2 2.9Å; R431-E482 PolarHBondContact NH1-OE2 3.24Å; K478-E482 WeakPolarHBondContact CE-OE1 3.31Å; K478-E482 HydrophobicContact CG-CG 4.47Å; K478-E482 WeakPolarHBondContact CG-OE1 3.3Å; K478-E482 WeakPolarHBondContact O-CB 3.45Å; K478-E482 WeakPolarHBondContact O-CG 3.14Å; K478-E482 PolarHBondContact O-N 3.49Å
483	D	93.7	Very high	96.8	Very high	45 Å²	45	34 Å²	34	24%	0.241	17%	0.171	C	C	.	.	H	α-helix	trans	-121	9.8	-171.1	-48.9	-59.6	0	0	0	112.8	R352 R431 H433 A479 F485	R352-D483 PolarHBondContact NH2-O 3.22Å; R431-D483 WeakPolarHBondContact CD-OD2 3.44Å; R431-D483 IonicContact CZ-OD1 3.96Å; R431-D483 IonicContact CZ-OD2 2.84Å; R431-D483 IonicContact NE-OD2 3.64Å; R431-D483 VanDerWaalsContact NH1-CG 3.33Å; R431-D483 IonicContact NH1-OD1 3.52Å; R431-D483 PolarHBondContact NH1-OD1 2.8Å; R431-D483 IonicContact NH1-OD2 2.79Å; R431-D483 PolarHBondContact NH1-OD2 3.49Å; R431-D483 IonicContact NH2-OD1 3.2Å; R431-D483 IonicContact NH2-OD2 3.16Å; H433-D483 IonicContact CD2-OD2 2.97Å; H433-D483 IonicContact CE1-OD2 2.58Å; H433-D483 IonicContact NE2-OD2 3.27Å; H433-D483 PolarHBondContact NE2-OD2 2.79Å; A479-D483 WeakPolarHBondContact O-CA 3.13Å; A479-D483 WeakPolarHBondContact O-CB 3.43Å; A479-D483 PolarHBondContact O-N 2.85Å; D483-F485 PolarHBondContact O-N 3.01Å
484	D	92.9	Very high	96.7	Very high	115 Å²	115	33.6 Å²	33.6	62%	0.615	17%	0.168	S	C	*	.	S	Bend	trans	52.1	33	-176.7	-164.6	36.5	0	0	0	113.2	A480	A480-D484 WeakPolarHBondContact O-CA 3.29Å; A480-D484 PolarHBondContact O-N 3.48Å; A480-D484 VanDerWaalsContact O-N 3.15Å
485	F	93.8	Very high	96.6	Very high	17 Å²	17	30.7 Å²	30.7	8%	0.075	15%	0.149	C	C	.	.			trans	-161.6	105.8	178.7	-170.7	-86.3	0	0	0	112.3	L349 W377 H433 L434 A479 D483 R487	L349-F485 HydrophobicContact CD1-CD1 4.4Å; L349-F485 HydrophobicContact CD1-CD2 4.04Å; L349-F485 HydrophobicContact CD1-CE1 4.17Å; L349-F485 HydrophobicContact CD1-CE2 3.78Å; L349-F485 HydrophobicContact CD1-CG 4.34Å; L349-F485 HydrophobicContact CD1-CZ 3.85Å; W377-F485 AromaticContact CH2-CE1 3.88Å; W377-F485 HydrophobicContact CH2-CE1 3.88Å; W377-F485 HydrophobicContact CH2-CZ 4.48Å; H433-F485 HydrophobicContact CB-CD1 4.01Å; H433-F485 HydrophobicContact CB-CE1 4.44Å; H433-F485 WeakPolarHBondContact O-CD1 3.43Å; H433-F485 WeakPolarHBondContact O-CE1 3.37Å; L434-F485 HydrophobicContact CB-CE1 4.49Å; A479-F485 CarbonylContact C-O 3.54Å; A479-F485 WeakPolarHBondContact CB-O 3.37Å; D483-F485 PolarHBondContact O-N 3.01Å; F485-R487 HydrophobicContact CE1-CB 4.27Å; F485-R487 HydrophobicContact CZ-CB 4.27Å
486	G	96	Very high	96.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	116.8	164.7	0	0	0	0	0	109.2	G552 F553 S554	G486-G552 PolarHBondContact N-O 2.75Å; G486-F553 CarbonylContact O-C 3.58Å; G486-F553 VanDerWaalsContact O-CA 3.27Å; G486-F553 WeakPolarHBondContact O-CA 3.36Å; G486-S554 PolarHBondContact O-N 3.25Å
487	R	97	Very high	96.4	Very high	17 Å²	17	32.7 Å²	32.7	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.8	-177.1	-170.4	169.3	-70.3	178.2	5	112.5	H433 L434 F435 F485 V489 S554 V601 A602 A604 T607	H433-R487 PolarHBondContact O-N 3.08Å; L434-R487 CarbonylContact C-O 3.41Å; L434-R487 WeakPolarHBondContact CA-O 3.36Å; L434-R487 HydrophobicContact CD1-CB 4.07Å; L434-R487 HydrophobicContact CD1-CG 4.26Å; F435-R487 PolarHBondContact N-O 3.04Å; F485-R487 HydrophobicContact CE1-CB 4.27Å; F485-R487 HydrophobicContact CZ-CB 4.27Å; R487-V489 HydrophobicContact CG-CG2 4.03Å; R487-S554 CarbonylContact C-O 3.46Å; R487-S554 VanDerWaalsContact CA-O 3.3Å; R487-S554 WeakPolarHBondContact CA-O 3.37Å; R487-S554 WeakPolarHBondContact CG-OG 3.44Å; R487-S554 PolarHBondContact NE-OG 3.32Å; R487-V601 PolarHBondContact NH1-O 2.98Å; R487-A602 VanDerWaalsContact CD-O 3.29Å; R487-A602 WeakPolarHBondContact CD-O 3.19Å; R487-A602 PolarHBondContact NH1-O 2.93Å; R487-A604 PolarHBondContact NH1-O 2.9Å; R487-A604 PolarHBondContact NH2-O 3.11Å; R487-T607 VanDerWaalsContact CZ-OG1 3.28Å; R487-T607 PolarHBondContact NH1-OG1 2.69Å; R487-T607 PolarHBondContact NH2-OG1 3.36Å
488	I	98.4	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	168.4	-58.3	-179.5	0	0	0	108.6	F435 V476 I490 L543 F553 S554 C555 C556	F435-I488 HydrophobicContact CB-CG1 4.3Å; F435-I488 HydrophobicContact CD1-CG1 4.41Å; F435-I488 HydrophobicContact CD1-CG2 4.15Å; F435-I488 CarbonylContact O-C 3.53Å; F435-I488 WeakPolarHBondContact O-CA 3.5Å; V476-I488 HydrophobicContact CG1-CG1 4.09Å; V476-I488 HydrophobicContact CG2-CD1 4.41Å; V476-I488 HydrophobicContact CG2-CG1 4.21Å; I488-I490 HydrophobicContact CG2-CD1 4.41Å; I488-I490 HydrophobicContact CG2-CG1 3.97Å; I488-L543 HydrophobicContact CD1-CD2 3.94Å; I488-F553 HydrophobicContact CD1-CE2 3.93Å; I488-F553 HydrophobicContact CD1-CZ 4.14Å; I488-F553 HydrophobicContact CG1-CE2 4.05Å; I488-F553 HydrophobicContact CG1-CZ 4.47Å; I488-S554 PolarHBondContact N-O 3.1Å; I488-C555 HydrophobicContact CB-CB 4.31Å; I488-C555 CarbonylContact O-C 3.42Å; I488-C555 VanDerWaalsContact O-CA 3.27Å; I488-C555 WeakPolarHBondContact O-CA 3.4Å; I488-C556 PolarHBondContact O-N 3.01Å
489	V	98.4	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121	174.5	179.8	0	0	0	0	109.1	L434 F435 I436 S437 R487 C556 L558 V598 V601 A602	L434-V489 HydrophobicContact CD1-CG2 4.17Å; F435-V489 PolarHBondContact O-N 3.45Å; I436-V489 CarbonylContact C-O 3.5Å; I436-V489 WeakPolarHBondContact CA-O 3.31Å; S437-V489 PolarHBondContact N-O 3.13Å; R487-V489 HydrophobicContact CG-CG2 4.03Å; V489-C556 WeakPolarHBondContact CA-O 3.39Å; V489-L558 HydrophobicContact CG1-CD2 3.26Å; V489-V598 HydrophobicContact CG1-CG1 4.25Å; V489-V601 HydrophobicContact CG1-CG1 4.38Å; V489-V601 HydrophobicContact CG2-CG1 4.43Å; V489-A602 HydrophobicContact CG2-CB 3.87Å
490	I	98.6	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.5	-179.4	-53.2	-170.4	0	0	0	109.9	I488 S492 V536 Y539 A540 C556 S557 L558	I488-I490 HydrophobicContact CG2-CD1 4.41Å; I488-I490 HydrophobicContact CG2-CG1 3.97Å; I490-S492 PolarHBondContact O-N 2.97Å; I490-V536 HydrophobicContact CG2-CB 4.24Å; I490-V536 HydrophobicContact CG2-CG1 3.81Å; I490-V536 HydrophobicContact CG2-CG2 3.51Å; I490-Y539 HydrophobicContact CD1-CD1 3.75Å; I490-Y539 HydrophobicContact CD1-CE1 3.92Å; I490-A540 HydrophobicContact CD1-CB 3.99Å; I490-A540 HydrophobicContact CG1-CB 4.4Å; I490-C556 PolarHBondContact N-O 3.39Å; I490-S557 WeakPolarHBondContact O-CA 3.48Å; I490-S557 WeakPolarHBondContact O-CB 3.44Å; I490-L558 PolarHBondContact O-N 3.34Å; I490-L558 VanDerWaalsContact O-N 3.13Å
491	V	98.3	Very high	96.1	Very high	11 Å²	11	33.6 Å²	33.6	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.3	-179.8	-176.9	0	0	0	0	110.1	I436 S437 N438 K533 P560 V598	I436-V491 HydrophobicContact CG2-CG2 4.32Å; S437-V491 PolarHBondContact O-N 2.7Å; N438-V491 HydrophobicContact CB-CG2 3.87Å; V491-K533 PolarHBondContact O-NZ 3.47Å; V491-P560 HydrophobicContact CG1-CB 4.47Å; V491-P560 HydrophobicContact CG1-CG 3.76Å; V491-V598 HydrophobicContact CG2-CG1 4.3Å; V491-V598 HydrophobicContact CG2-CG2 4.13Å
492	S	97.6	Very high	95.9	Very high	3 Å²	3	28 Å²	28	2%	0.021	15%	0.154	C	C	.	.			trans	-97.2	-151.5	172.1	-178.6	0	0	0	0	110.2	I490 L496 K533 L558	I490-S492 PolarHBondContact O-N 2.97Å; S492-L496 WeakPolarHBondContact OG-CD2 3.26Å; S492-K533 PolarHBondContact OG-O 3.2Å; S492-L558 CarbonylContact C-O 3.58Å; S492-L558 WeakPolarHBondContact CA-O 3.36Å; S492-L558 PolarHBondContact N-O 2.97Å
493	S	95.8	Very high	95.8	Very high	11 Å²	11	24.9 Å²	24.9	8%	0.077	15%	0.145	C	C	.	.			trans	-161.5	148.8	-176.1	-175.9	0	0	0	0	111.6	V495 L496 Y612	S493-V495 PolarHBondContact O-N 2.64Å; S493-V495 VanDerWaalsContact O-N 3.07Å; S493-V495 WeakPolarHBondContact OG-CG2 3.38Å; S493-V495 PolarHBondContact OG-N 2.92Å; S493-L496 WeakPolarHBondContact O-CB 3.23Å; S493-L496 VanDerWaalsContact O-CD2 3.27Å; S493-L496 WeakPolarHBondContact O-CD2 3.4Å; S493-L496 WeakPolarHBondContact O-CG 3.48Å; S493-L496 PolarHBondContact O-N 3.01Å; S493-Y612 PolarHBondContact O-OH 3.04Å; S493-Y612 VanDerWaalsContact O-OH 3.12Å
494	V	94.4	Very high	95.7	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.036	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57	-21.7	173.6	69.2	0	0	0	0	112.8	I322 C326 L496 H497 H559 Y612	I322-V494 HydrophobicContact CG2-CB 4.43Å; I322-V494 HydrophobicContact CG2-CG1 3.93Å; I322-V494 HydrophobicContact CG2-CG2 3.91Å; C326-V494 HydrophobicContact CB-CG1 4.09Å; V494-L496 PolarHBondContact O-N 2.93Å; V494-H497 PolarHBondContact O-CD2 3.35Å; V494-H497 PolarHBondContact O-N 2.68Å; V494-H559 PolarHBondContact N-ND1 2.66Å; V494-Y612 PolarHBondContact N-OH 3.07Å
495	V	94.5	Very high	95.8	Very high	17 Å²	17	22.2 Å²	22.2	10%	0.103	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-63.8	-12	175.8	-58.7	0	0	0	0	113.4	L319 S493 H497 A498 Y529 A530 K533	L319-V495 HydrophobicContact CD2-CB 4.38Å; L319-V495 HydrophobicContact CD2-CG1 4.15Å; L319-V495 HydrophobicContact CG-CB 4.35Å; L319-V495 HydrophobicContact CG-CG1 4.16Å; S493-V495 PolarHBondContact O-N 2.64Å; S493-V495 VanDerWaalsContact O-N 3.07Å; S493-V495 WeakPolarHBondContact OG-CG2 3.38Å; S493-V495 PolarHBondContact OG-N 2.92Å; V495-H497 PolarHBondContact O-N 2.78Å; V495-H497 VanDerWaalsContact O-N 3.14Å; V495-A498 WeakPolarHBondContact O-CB 3.28Å; V495-A498 PolarHBondContact O-N 3.17Å; V495-Y529 HydrophobicContact CB-CD1 4.42Å; V495-Y529 HydrophobicContact CB-CE1 4.44Å; V495-Y529 HydrophobicContact CG1-CE1 4.33Å; V495-Y529 HydrophobicContact CG2-CD1 3.5Å; V495-Y529 VanDerWaalsContact CG2-CD1 3.5Å; V495-Y529 HydrophobicContact CG2-CE1 3.4Å; V495-A530 WeakPolarHBondContact O-CB 3.3Å; V495-K533 HydrophobicContact CG2-CB 4.3Å; V495-K533 HydrophobicContact CG2-CG 4.26Å
496	L	96.5	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.2	173.5	66.9	81.2	0	0	0	112.4	S492 S493 V494 A498 A499 K533 L534 A537 Y612 L621 P622	S492-L496 WeakPolarHBondContact OG-CD2 3.26Å; S493-L496 WeakPolarHBondContact O-CB 3.23Å; S493-L496 VanDerWaalsContact O-CD2 3.27Å; S493-L496 WeakPolarHBondContact O-CD2 3.4Å; S493-L496 WeakPolarHBondContact O-CG 3.48Å; S493-L496 PolarHBondContact O-N 3.01Å; V494-L496 PolarHBondContact O-N 2.93Å; L496-A498 PolarHBondContact O-N 3.08Å; L496-A499 WeakPolarHBondContact O-CB 3.42Å; L496-A499 PolarHBondContact O-N 2.83Å; L496-K533 HydrophobicContact CB-CB 4.35Å; L496-L534 HydrophobicContact CB-CB 3.94Å; L496-L534 HydrophobicContact CB-CD1 4.43Å; L496-L534 HydrophobicContact CD1-CD1 4.28Å; L496-A537 HydrophobicContact CD2-CB 4.15Å; L496-Y612 HydrophobicContact CD2-CD1 4.38Å; L496-Y612 HydrophobicContact CD2-CD2 4.2Å; L496-Y612 HydrophobicContact CD2-CE1 3.78Å; L496-Y612 HydrophobicContact CD2-CE2 3.6Å; L496-Y612 WeakPolarHBondContact CD2-OH 3.41Å; L496-Y612 HydrophobicContact CG-CE1 4.49Å; L496-L621 HydrophobicContact CD1-CD2 4.03Å; L496-L621 HydrophobicContact CD2-CD2 3.86Å; L496-P622 HydrophobicContact CD1-CG 3.57Å
497	H	95.3	Very high	95.6	Very high	60 Å²	60	29 Å²	29	28%	0.278	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-71.2	-11.4	175.3	-63.7	-66.7	0	0	0	113.4	I322 V494 V495 E614 K620	I322-H497 HydrophobicContact CD1-CB 4.3Å; V494-H497 PolarHBondContact O-CD2 3.35Å; V494-H497 PolarHBondContact O-N 2.68Å; V495-H497 PolarHBondContact O-N 2.78Å; V495-H497 VanDerWaalsContact O-N 3.14Å; H497-E614 IonicContact CD2-OE1 3.77Å; H497-E614 IonicContact NE2-OE1 2.93Å; H497-E614 PolarHBondContact NE2-OE1 3.13Å; H497-K620 PolarHBondContact CE1-O 2.73Å
498	A	95.8	Very high	95.3	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-92.2	-2.7	169.4	0	0	0	0	0	113.1	Y315 L318 L319 I322 V495 L496 A530	Y315-A498 VanDerWaalsContact CE1-O 3.27Å; Y315-A498 WeakPolarHBondContact CE1-O 3.27Å; L318-A498 HydrophobicContact CD2-CB 3.73Å; L318-A498 HydrophobicContact CG-CB 3.94Å; L319-A498 HydrophobicContact CD1-CB 3.44Å; L319-A498 VanDerWaalsContact CD1-CB 3.44Å; L319-A498 HydrophobicContact CG-CB 4.45Å; I322-A498 HydrophobicContact CD1-CB 3.6Å; V495-A498 WeakPolarHBondContact O-CB 3.28Å; V495-A498 PolarHBondContact O-N 3.17Å; L496-A498 PolarHBondContact O-N 3.08Å; A498-A530 HydrophobicContact CB-CB 4.1Å
499	A	96.7	Very high	94.9	Very high	23 Å²	23	30.6 Å²	30.6	19%	0.19	17%	0.166	C	C	.	.			trans	-66.7	144.5	-174	0	0	0	0	0	111.5	L496 A530 N531 L534	L496-A499 WeakPolarHBondContact O-CB 3.42Å; L496-A499 PolarHBondContact O-N 2.83Å; A499-A530 HydrophobicContact CB-CB 4.23Å; A499-N531 WeakPolarHBondContact CA-OD1 3.34Å; A499-N531 WeakPolarHBondContact CB-OD1 3.43Å; A499-L534 HydrophobicContact CB-CB 3.6Å; A499-L534 HydrophobicContact CB-CD2 3.46Å; A499-L534 VanDerWaalsContact CB-CD2 3.46Å; A499-L534 HydrophobicContact CB-CG 4.16Å
500	S	95.3	Very high	94.8	Very high	73 Å²	73	30.7 Å²	30.7	51%	0.51	17%	0.167	S	C	.	.			trans	-133.5	80.5	170.4	-176.5	0	0	0	0	106.2	Y315 N531	Y315-S500 WeakPolarHBondContact OH-CB 3.49Å; S500-N531 PolarHBondContact N-OD1 3.44Å; S500-N531 PolarHBondContact O-ND2 2.88Å; S500-N531 PolarHBondContact O-OD1 3.37Å
501	I	95.6	Very high	94.5	Very high	20 Å²	20	31 Å²	31	10%	0.103	17%	0.17	C	C	.	.			trans	-109.3	138.6	-174.1	-164.3	171.4	0	0	0	110.2	W458 W505 F506 N531 L534 A535 V624 V628	W458-I501 HydrophobicContact CH2-CD1 3.82Å; W458-I501 HydrophobicContact CZ3-CD1 4.08Å; I501-W505 HydrophobicContact CD1-CG 4.38Å; I501-W505 HydrophobicContact CG1-CB 3.84Å; I501-W505 HydrophobicContact CG1-CG 3.96Å; I501-F506 HydrophobicContact CD1-CE2 3.56Å; I501-F506 HydrophobicContact CD1-CZ 3.61Å; I501-F506 HydrophobicContact CG1-CE2 3.89Å; I501-F506 HydrophobicContact CG1-CZ 4.43Å; I501-N531 HydrophobicContact CB-CB 4.31Å; I501-N531 HydrophobicContact CD1-CB 4.2Å; I501-N531 HydrophobicContact CG1-CB 4.37Å; I501-L534 HydrophobicContact CG2-CD2 3.76Å; I501-L534 HydrophobicContact CG2-CG 4.46Å; I501-A535 HydrophobicContact CD1-CB 3.92Å; I501-V624 HydrophobicContact CG2-CG1 4.16Å; I501-V628 HydrophobicContact CG2-CG1 4.06Å; I501-V628 HydrophobicContact CG2-CG2 4.47Å
502	D	94.3	Very high	94.1	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.353	18%	0.181	S	C	.	.			trans	-129.1	178.3	171.1	61.6	36.1	0	0	0	110.1	Q504 W505 F506	D502-Q504 VanDerWaalsContact C-N 3.26Å; D502-Q504 PolarHBondContact O-N 3.18Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.37Å; D502-Q504 VanDerWaalsContact OD1-CB 3.3Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.21Å; D502-Q504 PolarHBondContact OD1-N 2.87Å; D502-W505 VanDerWaalsContact O-CB 3.29Å; D502-W505 WeakPolarHBondContact O-CB 3.38Å; D502-W505 PolarHBondContact O-N 3.27Å; D502-W505 PolarHBondContact OD1-N 3.04Å; D502-F506 WeakPolarHBondContact O-CD2 3.38Å
503	A	92.6	Very high	93.8	Very high	33 Å²	33	35.1 Å²	35.1	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-27.7	178.8	0	0	0	0	0	113.4	W505 F506 K507 A631	A503-W505 VanDerWaalsContact C-N 3.27Å; A503-W505 PolarHBondContact O-N 3.41Å; A503-F506 PolarHBondContact O-N 3.41Å; A503-K507 PolarHBondContact O-N 2.88Å; A503-A631 HydrophobicContact CB-CB 4.18Å
504	Q	92	Very high	93.3	Very high	96 Å²	96	37.4 Å²	37.4	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-67.5	-31.4	179.3	-63.4	-170.6	-7.8	0	0	111.6	D502 F506 K507 Y508	D502-Q504 VanDerWaalsContact C-N 3.26Å; D502-Q504 PolarHBondContact O-N 3.18Å; D502-Q504 WeakPolarHBondContact OD1-CA 3.37Å; D502-Q504 VanDerWaalsContact OD1-CB 3.3Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.21Å; D502-Q504 PolarHBondContact OD1-N 2.87Å; Q504-F506 PolarHBondContact O-N 3.4Å; Q504-K507 WeakPolarHBondContact O-CB 3.26Å; Q504-K507 PolarHBondContact O-N 2.99Å; Q504-Y508 HydrophobicContact CB-CD2 3.97Å; Q504-Y508 HydrophobicContact CB-CE2 3.72Å; Q504-Y508 HydrophobicContact CG-CE2 4.2Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.4Å; Q504-Y508 PolarHBondContact O-N 2.91Å
505	W	95.8	Very high	92.9	Very high	8 Å²	8	39.6 Å²	39.6	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-52.1	-39	174.2	-160.4	-88.1	0	0	0	113	W458 I501 D502 A503 G510 S511 D512 L527 N531	W458-W505 AromaticContact CD2-NE1 3.98Å; W458-W505 AromaticContact CE3-CD1 3.82Å; W458-W505 AromaticContact CE3-NE1 3.5Å; W458-W505 AromaticContact CH2-CD1 3.72Å; W458-W505 AromaticContact CZ3-CD1 3.61Å; W458-W505 AromaticContact CZ3-NE1 3.65Å; I501-W505 HydrophobicContact CD1-CG 4.38Å; I501-W505 HydrophobicContact CG1-CB 3.84Å; I501-W505 HydrophobicContact CG1-CG 3.96Å; D502-W505 VanDerWaalsContact O-CB 3.29Å; D502-W505 WeakPolarHBondContact O-CB 3.38Å; D502-W505 PolarHBondContact O-N 3.27Å; D502-W505 PolarHBondContact OD1-N 3.04Å; A503-W505 VanDerWaalsContact C-N 3.27Å; A503-W505 PolarHBondContact O-N 3.41Å; W505-G510 VanDerWaalsContact CE2-C 3.47Å; W505-G510 VanDerWaalsContact CZ2-O 3.26Å; W505-G510 WeakPolarHBondContact CZ2-O 3.39Å; W505-G510 WeakPolarHBondContact O-CA 3.28Å; W505-G510 PolarHBondContact O-N 3.29Å; W505-S511 WeakPolarHBondContact CA-O 3.27Å; W505-D512 HydrophobicContact CE3-CB 3.88Å; W505-D512 HydrophobicContact CZ3-CB 3.85Å; W505-L527 HydrophobicContact CH2-CD2 3.88Å; W505-L527 HydrophobicContact CH2-CG 3.75Å; W505-L527 HydrophobicContact CZ3-CD2 3.83Å; W505-L527 HydrophobicContact CZ3-CG 4.07Å; W505-N531 HydrophobicContact CD2-CB 4.4Å; W505-N531 VanDerWaalsContact CD2-ND2 3.28Å; W505-N531 VanDerWaalsContact CE3-ND2 3.29Å; W505-N531 HydrophobicContact CZ2-CB 4.12Å; W505-N531 WeakPolarHBondContact CZ3-ND2 3.43Å
506	F	94.9	Very high	92.4	Very high	28 Å²	28	42.3 Å²	42.3	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-44.6	177.3	-61.7	-99.6	0	0	0	111.1	W458 Y462 I501 D502 A503 Q504 Y508 G509 A535 V628 A631 I632 C635	W458-F506 HydrophobicContact CH2-CD1 4.11Å; W458-F506 AromaticContact CH2-CE1 3.69Å; W458-F506 HydrophobicContact CH2-CE1 3.69Å; W458-F506 AromaticContact CH2-CZ 3.93Å; W458-F506 HydrophobicContact CH2-CZ 3.93Å; W458-F506 AromaticContact CZ2-CD1 3.59Å; W458-F506 HydrophobicContact CZ2-CD1 3.59Å; W458-F506 AromaticContact CZ2-CE1 3.64Å; W458-F506 HydrophobicContact CZ2-CE1 3.64Å; W458-F506 HydrophobicContact CZ2-CG 4.17Å; W458-F506 HydrophobicContact CZ2-CZ 4.27Å; Y462-F506 AromaticContact CE1-CD1 4Å; Y462-F506 HydrophobicContact CE1-CD1 4Å; Y462-F506 AromaticContact CE1-CE1 3.84Å; Y462-F506 HydrophobicContact CE1-CE1 3.84Å; Y462-F506 HydrophobicContact CE2-CE1 4.31Å; Y462-F506 AromaticContact CZ-CE1 3.61Å; Y462-F506 WeakPolarHBondContact OH-CE1 3.5Å; I501-F506 HydrophobicContact CD1-CE2 3.56Å; I501-F506 HydrophobicContact CD1-CZ 3.61Å; I501-F506 HydrophobicContact CG1-CE2 3.89Å; I501-F506 HydrophobicContact CG1-CZ 4.43Å; D502-F506 WeakPolarHBondContact O-CD2 3.38Å; A503-F506 PolarHBondContact O-N 3.41Å; Q504-F506 PolarHBondContact O-N 3.4Å; F506-Y508 VanDerWaalsContact C-N 3.32Å; F506-Y508 PolarHBondContact O-N 2.79Å; F506-G509 PolarHBondContact O-N 3.21Å; F506-A535 HydrophobicContact CE1-CB 4.43Å; F506-A535 HydrophobicContact CZ-CB 4.23Å; F506-V628 HydrophobicContact CE2-CG1 4.06Å; F506-V628 HydrophobicContact CZ-CG1 4.27Å; F506-A631 HydrophobicContact CB-CB 4.17Å; F506-A631 HydrophobicContact CD1-CB 4.34Å; F506-A631 HydrophobicContact CD2-CB 3.65Å; F506-A631 HydrophobicContact CE2-CB 4.12Å; F506-A631 HydrophobicContact CG-CB 3.8Å; F506-I632 HydrophobicContact CE1-CB 4.49Å; F506-I632 HydrophobicContact CE1-CG1 3.52Å; F506-I632 HydrophobicContact CE2-CG1 4.48Å; F506-I632 HydrophobicContact CZ-CD1 4.15Å; F506-I632 HydrophobicContact CZ-CG1 3.43Å; F506-I632 VanDerWaalsContact CZ-CG1 3.43Å; F506-C635 HydrophobicContact CD1-CB 4.46Å
507	K	89.4	Confident	91.9	Very high	130 Å²	130	45.4 Å²	45.4	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-60.6	-39	180	-175.6	178.1	-179.4	174.5	0	112.7	A503 Q504	A503-K507 PolarHBondContact O-N 2.88Å; Q504-K507 WeakPolarHBondContact O-CB 3.26Å; Q504-K507 PolarHBondContact O-N 2.99Å
508	Y	90.4	Very high	91.6	Very high	42 Å²	42	44.9 Å²	44.9	17%	0.165	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	16.9	-177	-53.3	-44.7	0	0	0	113.6	Q504 F506 S511 P514 R519	Q504-Y508 HydrophobicContact CB-CD2 3.97Å; Q504-Y508 HydrophobicContact CB-CE2 3.72Å; Q504-Y508 HydrophobicContact CG-CE2 4.2Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.4Å; Q504-Y508 PolarHBondContact O-N 2.91Å; F506-Y508 VanDerWaalsContact C-N 3.32Å; F506-Y508 PolarHBondContact O-N 2.79Å; Y508-S511 WeakPolarHBondContact CB-O 3.43Å; Y508-P514 HydrophobicContact CD2-CB 4.39Å; Y508-P514 HydrophobicContact CE1-CB 4.05Å; Y508-P514 HydrophobicContact CE2-CB 3.79Å; Y508-R519 PolarHBondContact O-NH1 2.71Å; Y508-R519 VanDerWaalsContact O-NH1 3.11Å
509	G	91.6	Very high	91.4	Very high	10 Å²	10	46.2 Å²	46.2	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	39.4	169.2	0	0	0	0	0	113.8	S454 E455 F506	S454-G509 CarbonylContact C-O 3.59Å; S454-G509 WeakPolarHBondContact CA-O 3.4Å; E455-G509 PolarHBondContact N-O 3.41Å; F506-G509 PolarHBondContact O-N 3.21Å
510	G	95	Very high	91.1	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	94.9	31	179.9	0	0	0	0	0	114	W458 W505	W458-G510 VanDerWaalsContact CG-CA 3.47Å; W505-G510 VanDerWaalsContact CE2-C 3.47Å; W505-G510 VanDerWaalsContact CZ2-O 3.26Å; W505-G510 WeakPolarHBondContact CZ2-O 3.39Å; W505-G510 WeakPolarHBondContact O-CA 3.28Å; W505-G510 PolarHBondContact O-N 3.29Å
511	S	93.6	Very high	90.9	Very high	9 Å²	9	54.9 Å²	54.9	6%	0.063	28%	0.284	C	S	.	.			trans	-147.2	149.1	-178.8	-171	0	0	0	0	110.7	W505 Y508 E513	W505-S511 WeakPolarHBondContact CA-O 3.27Å; Y508-S511 WeakPolarHBondContact CB-O 3.43Å; S511-E513 VanDerWaalsContact C-N 3.33Å; S511-E513 WeakPolarHBondContact OG-CB 3.35Å; S511-E513 PolarHBondContact OG-N 2.88Å; S511-E513 VanDerWaalsContact OG-N 3.09Å
512	D	89.9	Confident	90.6	Very high	58 Å²	58	54.2 Å²	54.2	31%	0.31	28%	0.282	S	S	.	.	S	Bend	trans	-93.7	6.5	166.4	58.9	-21.6	0	0	0	112.7	R311 W505 P514	R311-D512 IonicContact CZ-OD1 2.92Å; R311-D512 IonicContact CZ-OD2 3.94Å; R311-D512 IonicContact NH1-OD1 3.64Å; R311-D512 PolarHBondContact NH1-OD1 3Å; R311-D512 IonicContact NH1-OD2 3.83Å; R311-D512 PolarHBondContact NH1-OD2 3.42Å; R311-D512 IonicContact NH2-OD1 3.92Å; R311-D512 PolarHBondContact NH2-OD1 3.27Å; W505-D512 HydrophobicContact CE3-CB 3.88Å; W505-D512 HydrophobicContact CZ3-CB 3.85Å; D512-P514 WeakPolarHBondContact O-CD 3.33Å
513	E	91.4	Very high	90.6	Very high	42 Å²	42	52.9 Å²	52.9	20%	0.196	27%	0.272	C	S	.	.			trans	-98.8	108.1	177.9	174.7	54.5	-108.3	0	0	110.2	S511 N515 M518 R519 A522	S511-E513 VanDerWaalsContact C-N 3.33Å; S511-E513 WeakPolarHBondContact OG-CB 3.35Å; S511-E513 PolarHBondContact OG-N 2.88Å; S511-E513 VanDerWaalsContact OG-N 3.09Å; E513-N515 VanDerWaalsContact C-N 3.29Å; E513-N515 WeakPolarHBondContact CG-O 3.36Å; E513-N515 PolarHBondContact O-N 3.29Å; E513-N515 VanDerWaalsContact OE1-CB 3.3Å; E513-N515 WeakPolarHBondContact OE1-CB 3.4Å; E513-N515 PolarHBondContact OE1-N 3.45Å; E513-M518 HydrophobicContact CG-CB 3.6Å; E513-R519 HydrophobicContact CB-CG 4.03Å; E513-R519 HydrophobicContact CG-CG 4.04Å; E513-R519 WeakPolarHBondContact O-CG 3.41Å; E513-R519 PolarHBondContact O-NE 3.48Å; E513-A522 HydrophobicContact CB-CB 3.86Å; E513-A522 HydrophobicContact CG-CB 4.18Å
514	P	85.2	Confident	90.7	Very high	59 Å²	59	51.5 Å²	51.5	38%	0.383	26%	0.26	S	S	.	.	S	Bend	trans	-62.3	-36.1	-179.1	23.5	-33.8	0	0	0	112.4	Y508 D512 P516 R519	Y508-P514 HydrophobicContact CD2-CB 4.39Å; Y508-P514 HydrophobicContact CE1-CB 4.05Å; Y508-P514 HydrophobicContact CE2-CB 3.79Å; D512-P514 WeakPolarHBondContact O-CD 3.33Å; P514-P516 VanDerWaalsContact O-CD 3.25Å; P514-P516 WeakPolarHBondContact O-CD 3.14Å; P514-R519 PolarHBondContact O-NH2 2.83Å
515	N	84.9	Confident	90.8	Very high	52 Å²	52	47.7 Å²	47.7	28%	0.278	24%	0.244	S	C	.	.	S	Bend	trans	-78.6	111.9	-177.7	-177.4	-11.6	0	0	0	111.1	E513 S517 M518 R519	E513-N515 VanDerWaalsContact C-N 3.29Å; E513-N515 WeakPolarHBondContact CG-O 3.36Å; E513-N515 PolarHBondContact O-N 3.29Å; E513-N515 VanDerWaalsContact OE1-CB 3.3Å; E513-N515 WeakPolarHBondContact OE1-CB 3.4Å; E513-N515 PolarHBondContact OE1-N 3.45Å; N515-S517 VanDerWaalsContact CG-OG 3.23Å; N515-S517 PolarHBondContact ND2-OG 3.27Å; N515-S517 PolarHBondContact O-N 3.49Å; N515-S517 VanDerWaalsContact O-N 3.1Å; N515-S517 WeakPolarHBondContact OD1-CB 3.21Å; N515-S517 PolarHBondContact OD1-N 2.58Å; N515-S517 PolarHBondContact OD1-OG 2.97Å; N515-M518 HydrophobicContact CB-CB 4.24Å; N515-M518 HydrophobicContact CB-CG 4.26Å; N515-M518 PolarHBondContact O-N 2.86Å; N515-R519 PolarHBondContact O-N 2.65Å
516	P	85.3	Confident	90.8	Very high	74 Å²	74	48.1 Å²	48.1	48%	0.481	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.9	-178.3	-24.3	34.8	0	0	0	114.1	P514 M518 R519	P514-P516 VanDerWaalsContact O-CD 3.25Å; P514-P516 WeakPolarHBondContact O-CD 3.14Å; P516-M518 PolarHBondContact O-N 3.09Å; P516-R519 PolarHBondContact O-N 2.8Å
517	S	85.9	Confident	90.8	Very high	65 Å²	65	47 Å²	47	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.1	179.4	69	0	0	0	0	113.5	N515	N515-S517 VanDerWaalsContact CG-OG 3.23Å; N515-S517 PolarHBondContact ND2-OG 3.27Å; N515-S517 PolarHBondContact O-N 3.49Å; N515-S517 VanDerWaalsContact O-N 3.1Å; N515-S517 WeakPolarHBondContact OD1-CB 3.21Å; N515-S517 PolarHBondContact OD1-N 2.58Å; N515-S517 PolarHBondContact OD1-OG 2.97Å
518	M	88.3	Confident	91.2	Very high	49 Å²	49	40.8 Å²	40.8	24%	0.241	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-15.1	-179.3	-67.9	-60.2	-67.2	0	0	113.2	M308 E513 N515 P516 Q520 K521 A522	M308-M518 HydrophobicContact CE-CE 4.37Å; E513-M518 HydrophobicContact CG-CB 3.6Å; N515-M518 HydrophobicContact CB-CB 4.24Å; N515-M518 HydrophobicContact CB-CG 4.26Å; N515-M518 PolarHBondContact O-N 2.86Å; P516-M518 PolarHBondContact O-N 3.09Å; M518-Q520 VanDerWaalsContact C-N 3.3Å; M518-Q520 PolarHBondContact O-N 3.29Å; M518-K521 HydrophobicContact CE-CB 4.47Å; M518-K521 HydrophobicContact CE-CD 3.94Å; M518-K521 PolarHBondContact O-N 3.45Å; M518-K521 HydrophobicContact SD-CD 3.9Å; M518-A522 PolarHBondContact O-N 3.26Å
519	R	90.4	Very high	91.5	Very high	32 Å²	32	39.2 Å²	39.2	12%	0.121	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-40.1	-175.9	-68.7	-177.1	-172	164.3	9.2	113.6	Y446 Y508 E513 P514 N515 P516 K521 A522 Y523	Y446-R519 HydrophobicContact CE2-CB 4.33Å; Y446-R519 WeakPolarHBondContact OH-CB 3.22Å; Y508-R519 PolarHBondContact O-NH1 2.71Å; Y508-R519 VanDerWaalsContact O-NH1 3.11Å; E513-R519 HydrophobicContact CB-CG 4.03Å; E513-R519 HydrophobicContact CG-CG 4.04Å; E513-R519 WeakPolarHBondContact O-CG 3.41Å; E513-R519 PolarHBondContact O-NE 3.48Å; P514-R519 PolarHBondContact O-NH2 2.83Å; N515-R519 PolarHBondContact O-N 2.65Å; P516-R519 PolarHBondContact O-N 2.8Å; R519-K521 VanDerWaalsContact C-N 3.34Å; R519-K521 PolarHBondContact O-N 2.92Å; R519-A522 PolarHBondContact O-N 3.08Å; R519-Y523 WeakPolarHBondContact O-CB 3.21Å; R519-Y523 PolarHBondContact O-N 3.48Å
520	Q	92.4	Very high	91.7	Very high	132 Å²	132	38.8 Å²	38.8	62%	0.617	20%	0.204	S	C	*	.	H	α-helix	trans	-62.7	-41	176.4	-177.5	174.7	20.9	0	0	112.2	Y446 M518 Y523	Y446-Q520 HydrophobicContact CD1-CB 3.51Å; Y446-Q520 HydrophobicContact CD1-CG 3.51Å; Y446-Q520 HydrophobicContact CE1-CB 3.62Å; Y446-Q520 HydrophobicContact CE1-CG 4.14Å; Y446-Q520 HydrophobicContact CG-CB 4.11Å; Y446-Q520 HydrophobicContact CG-CG 3.98Å; M518-Q520 VanDerWaalsContact C-N 3.3Å; M518-Q520 PolarHBondContact O-N 3.29Å; Q520-Y523 WeakPolarHBondContact O-CB 3.5Å; Q520-Y523 PolarHBondContact O-N 3.5Å
521	K	89.2	Confident	91.9	Very high	145 Å²	145	38.7 Å²	38.7	63%	0.63	20%	0.203	S	C	*	.	H	α-helix	trans	-72.5	-38.2	179.9	-64.4	176.3	-175.6	168.9	0	111.3	M518 R519 Y523	M518-K521 HydrophobicContact CE-CB 4.47Å; M518-K521 HydrophobicContact CE-CD 3.94Å; M518-K521 PolarHBondContact O-N 3.45Å; M518-K521 HydrophobicContact SD-CD 3.9Å; R519-K521 VanDerWaalsContact C-N 3.34Å; R519-K521 PolarHBondContact O-N 2.92Å; K521-Y523 VanDerWaalsContact C-N 3.29Å; K521-Y523 PolarHBondContact O-N 3.35Å
522	A	90.4	Very high	92.1	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-71.6	-24	176.5	0	0	0	0	0	112.4	M308 R311 E513 M518 R519 C524	M308-A522 HydrophobicContact CE-CB 3.91Å; R311-A522 PolarHBondContact NH2-O 3.47Å; E513-A522 HydrophobicContact CB-CB 3.86Å; E513-A522 HydrophobicContact CG-CB 4.18Å; M518-A522 PolarHBondContact O-N 3.26Å; R519-A522 PolarHBondContact O-N 3.08Å; A522-C524 PolarHBondContact O-N 2.92Å; A522-C524 VanDerWaalsContact O-N 3.08Å
523	Y	94.4	Very high	92.5	Very high	37 Å²	37	35.8 Å²	35.8	15%	0.145	19%	0.186	C	C	.	.			trans	-51.6	114.8	-169	176.6	-115.8	0	0	0	114.3	P444 Y446 E455 Q457 R519 Q520 K521	P444-Y523 WeakPolarHBondContact O-CE1 3.43Å; P444-Y523 PolarHBondContact O-OH 2.98Å; Y446-Y523 HydrophobicContact CD2-CD1 4.11Å; Y446-Y523 AromaticContact CD2-CD2 3.69Å; Y446-Y523 HydrophobicContact CD2-CD2 3.69Å; Y446-Y523 HydrophobicContact CD2-CE2 4.3Å; Y446-Y523 AromaticContact CD2-CG 3.55Å; Y446-Y523 HydrophobicContact CD2-CG 3.55Å; Y446-Y523 HydrophobicContact CE2-CD2 4.43Å; Y446-Y523 HydrophobicContact CG-CD1 4.35Å; Y446-Y523 HydrophobicContact CG-CG 4.19Å; E455-Y523 HydrophobicContact CG-CD2 4.07Å; E455-Y523 HydrophobicContact CG-CE2 3.74Å; E455-Y523 PolarHBondContact OE1-OH 2.84Å; Q457-Y523 PolarHBondContact NE2-OH 3.25Å; R519-Y523 WeakPolarHBondContact O-CB 3.21Å; R519-Y523 PolarHBondContact O-N 3.48Å; Q520-Y523 WeakPolarHBondContact O-CB 3.5Å; Q520-Y523 PolarHBondContact O-N 3.5Å; K521-Y523 VanDerWaalsContact C-N 3.29Å; K521-Y523 PolarHBondContact O-N 3.35Å
524	C	94.5	Very high	92.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.027	18%	0.178	C	C	.	.			trans	-104.7	104	169.1	178.6	0	0	0	0	109.5	Q312 A522 H526 L527 S528	Q312-C524 VanDerWaalsContact OE1-CA 3.28Å; Q312-C524 PolarHBondContact OE1-SG 2.61Å; A522-C524 PolarHBondContact O-N 2.92Å; A522-C524 VanDerWaalsContact O-N 3.08Å; C524-H526 PolarHBondContact O-N 2.87Å; C524-L527 HydrophobicContact CB-CB 3.87Å; C524-L527 PolarHBondContact O-N 3.04Å; C524-S528 PolarHBondContact O-N 3.16Å
525	S	94.9	Very high	93.4	Very high	16 Å²	16	31.1 Å²	31.1	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-30.1	-175.6	65.1	0	0	0	0	113.8	Q457 Y529	Q457-S525 PolarHBondContact NE2-O 3.41Å; S525-Y529 WeakPolarHBondContact O-CB 3.49Å; S525-Y529 PolarHBondContact O-N 2.94Å
526	H	94.2	Very high	94.1	Very high	18 Å²	18	28.7 Å²	28.7	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-73.7	-47	178.2	-67.5	65.6	0	0	0	111.2	F316 L319 M443 C524 Y529 A530	F316-H526 AromaticContact CD2-NE2 3.55Å; L319-H526 HydrophobicContact CD1-CB 4.32Å; L319-H526 HydrophobicContact CD2-CB 3.96Å; M443-H526 HydrophobicContact CE-CB 4.34Å; M443-H526 WeakPolarHBondContact CE-CD2 3.41Å; C524-H526 PolarHBondContact O-N 2.87Å; H526-Y529 PolarHBondContact O-N 3.33Å; H526-A530 PolarHBondContact O-N 2.84Å
527	L	95.9	Very high	94.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-47.4	175.4	174.9	55	0	0	0	111.2	Y315 W505 C524 Y529 A530 N531	Y315-L527 HydrophobicContact CD1-CB 4.25Å; Y315-L527 HydrophobicContact CD1-CD1 4.45Å; Y315-L527 HydrophobicContact CD2-CB 3.95Å; Y315-L527 HydrophobicContact CE1-CB 4.29Å; Y315-L527 HydrophobicContact CE1-CD1 3.73Å; Y315-L527 HydrophobicContact CE1-CG 4.49Å; Y315-L527 HydrophobicContact CE2-CB 3.98Å; Y315-L527 HydrophobicContact CE2-CD1 4.11Å; Y315-L527 HydrophobicContact CE2-CD2 3.82Å; Y315-L527 HydrophobicContact CE2-CG 4.18Å; Y315-L527 HydrophobicContact CG-CB 4.1Å; Y315-L527 WeakPolarHBondContact OH-CD1 3.38Å; W505-L527 HydrophobicContact CH2-CD2 3.88Å; W505-L527 HydrophobicContact CH2-CG 3.75Å; W505-L527 HydrophobicContact CZ3-CD2 3.83Å; W505-L527 HydrophobicContact CZ3-CG 4.07Å; C524-L527 HydrophobicContact CB-CB 3.87Å; C524-L527 PolarHBondContact O-N 3.04Å; L527-Y529 VanDerWaalsContact C-N 3.28Å; L527-Y529 PolarHBondContact O-N 3.48Å; L527-A530 PolarHBondContact O-N 3.32Å; L527-N531 WeakPolarHBondContact CD1-ND2 3.3Å; L527-N531 WeakPolarHBondContact CD1-OD1 3.43Å; L527-N531 WeakPolarHBondContact O-CB 3.38Å; L527-N531 PolarHBondContact O-N 2.92Å
528	S	96.8	Very high	95.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-42.3	177.6	172.1	0	0	0	0	111.7	E455 C524 S532	E455-S528 PolarHBondContact OE2-OG 3.27Å; C524-S528 PolarHBondContact O-N 3.16Å; S528-S532 VanDerWaalsContact O-CB 3.32Å; S528-S532 WeakPolarHBondContact O-CB 3.23Å; S528-S532 PolarHBondContact O-N 2.79Å; S528-S532 PolarHBondContact O-OG 3.41Å
529	Y	96.8	Very high	95.8	Very high	9 Å²	9	20 Å²	20	4%	0.035	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-48.5	176	-172.2	-117.9	0	0	0	112.1	V441 M442 N461 V495 S525 H526 L527 S532 K533	V441-Y529 VanDerWaalsContact O-CD2 3.29Å; V441-Y529 WeakPolarHBondContact O-CD2 3.3Å; V441-Y529 WeakPolarHBondContact O-CE2 3.49Å; M442-Y529 HydrophobicContact CB-CD2 4.01Å; M442-Y529 HydrophobicContact CB-CE1 4.37Å; M442-Y529 HydrophobicContact CB-CE2 3.77Å; M442-Y529 HydrophobicContact CB-CG 4.44Å; M442-Y529 HydrophobicContact CG-CD1 3.72Å; M442-Y529 HydrophobicContact CG-CD2 3.95Å; M442-Y529 HydrophobicContact CG-CE1 3.67Å; M442-Y529 HydrophobicContact CG-CE2 3.92Å; M442-Y529 HydrophobicContact CG-CG 3.88Å; M442-Y529 HydrophobicContact SD-CD1 3.97Å; M442-Y529 HydrophobicContact SD-CE1 3.43Å; M442-Y529 WeakPolarHBondContact SD-CE1 3.34Å; M442-Y529 HydrophobicContact SD-CE2 4.46Å; N461-Y529 WeakPolarHBondContact ND2-CD2 3.38Å; V495-Y529 HydrophobicContact CB-CD1 4.42Å; V495-Y529 HydrophobicContact CB-CE1 4.44Å; V495-Y529 HydrophobicContact CG1-CE1 4.33Å; V495-Y529 HydrophobicContact CG2-CD1 3.5Å; V495-Y529 VanDerWaalsContact CG2-CD1 3.5Å; V495-Y529 HydrophobicContact CG2-CE1 3.4Å; S525-Y529 WeakPolarHBondContact O-CB 3.49Å; S525-Y529 PolarHBondContact O-N 2.94Å; H526-Y529 PolarHBondContact O-N 3.33Å; L527-Y529 VanDerWaalsContact C-N 3.28Å; L527-Y529 PolarHBondContact O-N 3.48Å; Y529-S532 PolarHBondContact O-N 2.97Å; Y529-S532 PolarHBondContact O-OG 3.25Å; Y529-K533 HydrophobicContact CD2-CG 4.45Å; Y529-K533 HydrophobicContact CE1-CG 4.42Å; Y529-K533 HydrophobicContact CE2-CD 4.45Å; Y529-K533 HydrophobicContact CE2-CG 4.07Å; Y529-K533 WeakPolarHBondContact O-CG 3.36Å; Y529-K533 PolarHBondContact O-N 3.33Å; Y529-K533 VanDerWaalsContact O-N 3.11Å
530	A	97.1	Very high	96.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-49.2	178	0	0	0	0	0	112.2	V495 A498 A499 H526 L527 S532 K533 L534	V495-A530 WeakPolarHBondContact O-CB 3.3Å; A498-A530 HydrophobicContact CB-CB 4.1Å; A499-A530 HydrophobicContact CB-CB 4.23Å; H526-A530 PolarHBondContact O-N 2.84Å; L527-A530 PolarHBondContact O-N 3.32Å; A530-S532 PolarHBondContact O-N 3.18Å; A530-K533 PolarHBondContact O-N 3.07Å; A530-K533 VanDerWaalsContact O-N 3.16Å; A530-L534 PolarHBondContact O-N 3.39Å
531	N	97.8	Very high	96.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-44.2	178.1	-76.8	0.4	0	0	0	111.3	A499 S500 I501 W505 L527 K533 L534 A535	A499-N531 WeakPolarHBondContact CA-OD1 3.34Å; A499-N531 WeakPolarHBondContact CB-OD1 3.43Å; S500-N531 PolarHBondContact N-OD1 3.44Å; S500-N531 PolarHBondContact O-ND2 2.88Å; S500-N531 PolarHBondContact O-OD1 3.37Å; I501-N531 HydrophobicContact CB-CB 4.31Å; I501-N531 HydrophobicContact CD1-CB 4.2Å; I501-N531 HydrophobicContact CG1-CB 4.37Å; W505-N531 HydrophobicContact CD2-CB 4.4Å; W505-N531 VanDerWaalsContact CD2-ND2 3.28Å; W505-N531 VanDerWaalsContact CE3-ND2 3.29Å; W505-N531 HydrophobicContact CZ2-CB 4.12Å; W505-N531 WeakPolarHBondContact CZ3-ND2 3.43Å; L527-N531 WeakPolarHBondContact CD1-ND2 3.3Å; L527-N531 WeakPolarHBondContact CD1-OD1 3.43Å; L527-N531 WeakPolarHBondContact O-CB 3.38Å; L527-N531 PolarHBondContact O-N 2.92Å; N531-K533 VanDerWaalsContact C-N 3.29Å; N531-K533 PolarHBondContact O-N 3.41Å; N531-L534 PolarHBondContact O-N 2.96Å; N531-A535 VanDerWaalsContact O-CB 3.28Å; N531-A535 WeakPolarHBondContact O-CB 3.38Å; N531-A535 PolarHBondContact O-N 3.38Å
532	S	98.2	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-37	177.2	75.5	0	0	0	0	113	N461 S528 Y529 A530 V536	N461-S532 WeakPolarHBondContact CB-OG 3.24Å; N461-S532 PolarHBondContact ND2-OG 2.87Å; N461-S532 VanDerWaalsContact ND2-OG 3.15Å; S528-S532 VanDerWaalsContact O-CB 3.32Å; S528-S532 WeakPolarHBondContact O-CB 3.23Å; S528-S532 PolarHBondContact O-N 2.79Å; S528-S532 PolarHBondContact O-OG 3.41Å; Y529-S532 PolarHBondContact O-N 2.97Å; Y529-S532 PolarHBondContact O-OG 3.25Å; A530-S532 PolarHBondContact O-N 3.18Å; S532-V536 PolarHBondContact O-N 3.29Å; S532-V536 VanDerWaalsContact O-N 3.14Å
533	K	98.1	Very high	97.1	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.03	4%	0.043	C	C	.	.	H	α-helix	trans	-78	-34	-179.6	-67.5	-66.4	176.6	-167.1	0	112.5	V491 S492 V495 L496 Y529 A530 N531 A537	V491-K533 PolarHBondContact O-NZ 3.47Å; S492-K533 PolarHBondContact OG-O 3.2Å; V495-K533 HydrophobicContact CG2-CB 4.3Å; V495-K533 HydrophobicContact CG2-CG 4.26Å; L496-K533 HydrophobicContact CB-CB 4.35Å; Y529-K533 HydrophobicContact CD2-CG 4.45Å; Y529-K533 HydrophobicContact CE1-CG 4.42Å; Y529-K533 HydrophobicContact CE2-CD 4.45Å; Y529-K533 HydrophobicContact CE2-CG 4.07Å; Y529-K533 WeakPolarHBondContact O-CG 3.36Å; Y529-K533 PolarHBondContact O-N 3.33Å; Y529-K533 VanDerWaalsContact O-N 3.11Å; A530-K533 PolarHBondContact O-N 3.07Å; A530-K533 VanDerWaalsContact O-N 3.16Å; N531-K533 VanDerWaalsContact C-N 3.29Å; N531-K533 PolarHBondContact O-N 3.41Å; K533-A537 PolarHBondContact O-N 3.11Å
534	L	98.3	Very high	97.2	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-66.2	-49.3	169.6	-179.7	56.3	0	0	0	111.2	L496 A499 I501 A530 N531 V536 A537 L538 P622 V624	L496-L534 HydrophobicContact CB-CB 3.94Å; L496-L534 HydrophobicContact CB-CD1 4.43Å; L496-L534 HydrophobicContact CD1-CD1 4.28Å; A499-L534 HydrophobicContact CB-CB 3.6Å; A499-L534 HydrophobicContact CB-CD2 3.46Å; A499-L534 VanDerWaalsContact CB-CD2 3.46Å; A499-L534 HydrophobicContact CB-CG 4.16Å; I501-L534 HydrophobicContact CG2-CD2 3.76Å; I501-L534 HydrophobicContact CG2-CG 4.46Å; A530-L534 PolarHBondContact O-N 3.39Å; N531-L534 PolarHBondContact O-N 2.96Å; L534-V536 VanDerWaalsContact C-N 3.33Å; L534-V536 PolarHBondContact O-N 2.95Å; L534-A537 PolarHBondContact O-N 3.44Å; L534-A537 VanDerWaalsContact O-N 3.12Å; L534-L538 HydrophobicContact CD1-CD1 3.97Å; L534-L538 HydrophobicContact CD1-CG 3.98Å; L534-L538 HydrophobicContact CD2-CD1 4.44Å; L534-L538 HydrophobicContact CG-CD1 3.8Å; L534-L538 HydrophobicContact CG-CG 4.29Å; L534-L538 WeakPolarHBondContact O-CG 3.33Å; L534-L538 PolarHBondContact O-N 2.86Å; L534-P622 HydrophobicContact CD1-CB 4.21Å; L534-P622 HydrophobicContact CD1-CG 3.91Å; L534-P622 HydrophobicContact CD2-CB 4.19Å; L534-P622 HydrophobicContact CD2-CG 4.38Å; L534-V624 HydrophobicContact CD2-CG1 3.81Å
535	A	98.4	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.8	-44.1	-177.6	0	0	0	0	0	112.3	W458 Y462 I501 F506 N531 A537 L538 Y539	W458-A535 HydrophobicContact CH2-CB 3.43Å; W458-A535 VanDerWaalsContact CH2-CB 3.43Å; W458-A535 HydrophobicContact CZ3-CB 3.65Å; Y462-A535 HydrophobicContact CD2-CB 3.49Å; Y462-A535 VanDerWaalsContact CD2-CB 3.49Å; Y462-A535 HydrophobicContact CE2-CB 3.74Å; Y462-A535 HydrophobicContact CG-CB 4.06Å; I501-A535 HydrophobicContact CD1-CB 3.92Å; F506-A535 HydrophobicContact CE1-CB 4.43Å; F506-A535 HydrophobicContact CZ-CB 4.23Å; N531-A535 VanDerWaalsContact O-CB 3.28Å; N531-A535 WeakPolarHBondContact O-CB 3.38Å; N531-A535 PolarHBondContact O-N 3.38Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A537 PolarHBondContact O-N 3.02Å; A535-L538 PolarHBondContact O-N 3.48Å; A535-Y539 WeakPolarHBondContact O-CB 3.41Å; A535-Y539 PolarHBondContact O-N 3.02Å
536	V	98.2	Very high	97.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-70.9	-28.1	-179.8	89.4	0	0	0	0	113	Y462 P465 I490 S532 L534 A540	Y462-V536 HydrophobicContact CD2-CB 4.28Å; Y462-V536 HydrophobicContact CD2-CG2 4.49Å; P465-V536 HydrophobicContact CB-CG2 3.89Å; P465-V536 HydrophobicContact CG-CG2 4.49Å; I490-V536 HydrophobicContact CG2-CB 4.24Å; I490-V536 HydrophobicContact CG2-CG1 3.81Å; I490-V536 HydrophobicContact CG2-CG2 3.51Å; S532-V536 PolarHBondContact O-N 3.29Å; S532-V536 VanDerWaalsContact O-N 3.14Å; L534-V536 VanDerWaalsContact C-N 3.33Å; L534-V536 PolarHBondContact O-N 2.95Å; V536-A540 PolarHBondContact O-N 2.88Å
537	A	98.5	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-74.6	-40.7	175.1	0	0	0	0	0	111.7	L496 K533 L534 A535 Y539 A540 R541 Y612 L621	L496-A537 HydrophobicContact CD2-CB 4.15Å; K533-A537 PolarHBondContact O-N 3.11Å; L534-A537 PolarHBondContact O-N 3.44Å; L534-A537 VanDerWaalsContact O-N 3.12Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A537 PolarHBondContact O-N 3.02Å; A537-Y539 VanDerWaalsContact C-N 3.33Å; A537-A540 WeakPolarHBondContact O-CB 3.46Å; A537-A540 PolarHBondContact O-N 3.32Å; A537-R541 PolarHBondContact O-N 2.69Å; A537-R541 VanDerWaalsContact O-N 3.1Å; A537-Y612 HydrophobicContact CB-CD2 4.32Å; A537-L621 HydrophobicContact CB-CD1 4.32Å; A537-L621 HydrophobicContact CB-CD2 3.72Å
538	L	98.2	Very high	97.3	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-41	171.3	-69.6	170.9	0	0	0	111.3	L534 A535 A540 R541 Q542 L621 V624 V628 I632	L534-L538 HydrophobicContact CD1-CD1 3.97Å; L534-L538 HydrophobicContact CD1-CG 3.98Å; L534-L538 HydrophobicContact CD2-CD1 4.44Å; L534-L538 HydrophobicContact CG-CD1 3.8Å; L534-L538 HydrophobicContact CG-CG 4.29Å; L534-L538 WeakPolarHBondContact O-CG 3.33Å; L534-L538 PolarHBondContact O-N 2.86Å; A535-L538 PolarHBondContact O-N 3.48Å; L538-A540 PolarHBondContact O-N 3.47Å; L538-R541 VanDerWaalsContact CD2-NH2 3.25Å; L538-R541 WeakPolarHBondContact O-CB 3.37Å; L538-R541 PolarHBondContact O-N 2.97Å; L538-Q542 PolarHBondContact O-N 2.88Å; L538-L621 HydrophobicContact CD2-CD1 4.06Å; L538-V624 HydrophobicContact CD1-CB 4.49Å; L538-V624 HydrophobicContact CD1-CG1 3.9Å; L538-V624 HydrophobicContact CD1-CG2 3.88Å; L538-V624 HydrophobicContact CD2-CG2 4.23Å; L538-V628 HydrophobicContact CD1-CG1 4.16Å; L538-I632 HydrophobicContact CB-CD1 3.38Å; L538-I632 HydrophobicContact CD1-CD1 3.81Å; L538-I632 HydrophobicContact CG-CD1 4.25Å
539	Y	98.3	Very high	97.2	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-45.1	171.8	170.7	-104.3	0	0	0	112.1	V466 C469 E470 I490 A535 A537 R541 Q542 L543 I632 A636	V466-Y539 HydrophobicContact CB-CE1 4.44Å; V466-Y539 HydrophobicContact CB-CE2 4.37Å; V466-Y539 HydrophobicContact CG1-CD2 4.22Å; V466-Y539 HydrophobicContact CG1-CE2 3.76Å; V466-Y539 HydrophobicContact CG2-CD1 3.79Å; V466-Y539 HydrophobicContact CG2-CD2 3.82Å; V466-Y539 HydrophobicContact CG2-CE1 4Å; V466-Y539 HydrophobicContact CG2-CE2 4.04Å; V466-Y539 HydrophobicContact CG2-CG 3.69Å; C469-Y539 HydrophobicContact CB-CE1 3.69Å; C469-Y539 WeakPolarHBondContact CB-OH 3.25Å; E470-Y539 VanDerWaalsContact OE1-CE2 3.29Å; E470-Y539 WeakPolarHBondContact OE1-CE2 3.46Å; E470-Y539 PolarHBondContact OE1-OH 3.42Å; I490-Y539 HydrophobicContact CD1-CD1 3.75Å; I490-Y539 HydrophobicContact CD1-CE1 3.92Å; A535-Y539 WeakPolarHBondContact O-CB 3.41Å; A535-Y539 PolarHBondContact O-N 3.02Å; A537-Y539 VanDerWaalsContact C-N 3.33Å; Y539-R541 VanDerWaalsContact C-N 3.3Å; Y539-R541 PolarHBondContact O-N 3.22Å; Y539-Q542 PolarHBondContact O-N 3Å; Y539-Q542 VanDerWaalsContact O-N 3.13Å; Y539-L543 HydrophobicContact CE1-CB 4.48Å; Y539-L543 HydrophobicContact CE1-CD2 4.02Å; Y539-L543 HydrophobicContact CE2-CB 4.46Å; Y539-L543 WeakPolarHBondContact O-CB 3.33Å; Y539-L543 PolarHBondContact O-N 3.44Å; Y539-I632 HydrophobicContact CD2-CG2 4.15Å; Y539-A636 HydrophobicContact CD2-CB 4.16Å; Y539-A636 HydrophobicContact CE2-CB 3.76Å
540	A	98.3	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-44	176.3	0	0	0	0	0	111.7	I490 V536 A537 L538 L543 S544	I490-A540 HydrophobicContact CD1-CB 3.99Å; I490-A540 HydrophobicContact CG1-CB 4.4Å; V536-A540 PolarHBondContact O-N 2.88Å; A537-A540 WeakPolarHBondContact O-CB 3.46Å; A537-A540 PolarHBondContact O-N 3.32Å; L538-A540 PolarHBondContact O-N 3.47Å; A540-L543 PolarHBondContact O-N 3.11Å; A540-S544 WeakPolarHBondContact O-CB 3.4Å; A540-S544 PolarHBondContact O-N 2.84Å
541	R	97.9	Very high	97	Very high	54 Å²	54	36.2 Å²	36.2	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-46.1	174.4	-177	172	72.8	-171.2	2.7	111.3	A537 L538 Y539 S544 R545 G610 E629	A537-R541 PolarHBondContact O-N 2.69Å; A537-R541 VanDerWaalsContact O-N 3.1Å; L538-R541 VanDerWaalsContact CD2-NH2 3.25Å; L538-R541 WeakPolarHBondContact O-CB 3.37Å; L538-R541 PolarHBondContact O-N 2.97Å; Y539-R541 VanDerWaalsContact C-N 3.3Å; Y539-R541 PolarHBondContact O-N 3.22Å; R541-S544 PolarHBondContact O-N 3.42Å; R541-S544 PolarHBondContact O-OG 2.94Å; R541-R545 PolarHBondContact O-N 3.2Å; R541-G610 WeakPolarHBondContact CB-O 3.49Å; R541-E629 IonicContact CZ-OE1 3.5Å; R541-E629 IonicContact NH2-OE1 2.68Å; R541-E629 PolarHBondContact NH2-OE1 3.46Å
542	Q	96.9	Very high	96.8	Very high	42 Å²	42	37.3 Å²	37.3	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-47	179	-173.8	-174.2	-8.3	0	0	112.5	L538 Y539 S544 R545 R546 S633	L538-Q542 PolarHBondContact O-N 2.88Å; Y539-Q542 PolarHBondContact O-N 3Å; Y539-Q542 VanDerWaalsContact O-N 3.13Å; Q542-S544 VanDerWaalsContact C-N 3.25Å; Q542-S544 PolarHBondContact O-N 3.2Å; Q542-R545 PolarHBondContact O-N 3.4Å; Q542-R545 VanDerWaalsContact O-N 3.11Å; Q542-R546 WeakPolarHBondContact O-CB 3.47Å; Q542-R546 PolarHBondContact O-N 2.99Å; Q542-S633 VanDerWaalsContact CD-OG 3.3Å; Q542-S633 PolarHBondContact NE2-OG 3.25Å; Q542-S633 PolarHBondContact OE1-OG 2.92Å
543	L	97.6	Very high	96.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-58	-41.7	178.3	-176.6	64.8	0	0	0	110.8	C469 I488 Y539 A540 R545 R546 L547	C469-L543 HydrophobicContact CB-CD2 4.11Å; I488-L543 HydrophobicContact CD1-CD2 3.94Å; Y539-L543 HydrophobicContact CE1-CB 4.48Å; Y539-L543 HydrophobicContact CE1-CD2 4.02Å; Y539-L543 HydrophobicContact CE2-CB 4.46Å; Y539-L543 WeakPolarHBondContact O-CB 3.33Å; Y539-L543 PolarHBondContact O-N 3.44Å; A540-L543 PolarHBondContact O-N 3.11Å; L543-R545 PolarHBondContact O-N 2.85Å; L543-R546 VanDerWaalsContact CD1-NH2 3.31Å; L543-R546 PolarHBondContact O-N 2.82Å; L543-L547 HydrophobicContact CD1-CD1 3.64Å; L543-L547 HydrophobicContact CD1-CG 4.19Å; L543-L547 HydrophobicContact CG-CD1 4.14Å; L543-L547 PolarHBondContact O-N 3.3Å
544	S	97.2	Very high	96.7	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.5	80.3	0	0	0	0	112.7	A540 R541 Q542 A548 G610	A540-S544 WeakPolarHBondContact O-CB 3.4Å; A540-S544 PolarHBondContact O-N 2.84Å; R541-S544 PolarHBondContact O-N 3.42Å; R541-S544 PolarHBondContact O-OG 2.94Å; Q542-S544 VanDerWaalsContact C-N 3.25Å; Q542-S544 PolarHBondContact O-N 3.2Å; S544-A548 WeakPolarHBondContact O-CA 3.49Å; S544-A548 WeakPolarHBondContact O-CB 3.34Å; S544-A548 PolarHBondContact O-N 3.08Å; S544-A548 VanDerWaalsContact O-N 3.08Å; S544-G610 VanDerWaalsContact CB-CA 3.47Å; S544-G610 WeakPolarHBondContact OG-CA 3.43Å; S544-G610 PolarHBondContact OG-N 3.04Å
545	R	96.4	Very high	96.7	Very high	152 Å²	152	38.5 Å²	38.5	57%	0.574	20%	0.197	S	C	*	.	H	α-helix	trans	-67.3	-45.6	178.1	-71.3	177	178.7	165.2	-2.4	110.8	R541 Q542 L543 L547 A548	R541-R545 PolarHBondContact O-N 3.2Å; Q542-R545 PolarHBondContact O-N 3.4Å; Q542-R545 VanDerWaalsContact O-N 3.11Å; L543-R545 PolarHBondContact O-N 2.85Å; R545-L547 PolarHBondContact O-N 2.84Å; R545-A548 WeakPolarHBondContact O-CB 3.48Å; R545-A548 PolarHBondContact O-N 3.05Å
546	R	95.3	Very high	96.7	Very high	84 Å²	84	38.5 Å²	38.5	32%	0.317	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-32.2	-178	-171.5	170.5	62.1	162	7.6	112.2	E470 Q542 L543 F549	E470-R546 IonicContact OE1-CZ 3.54Å; E470-R546 IonicContact OE1-NH1 3.9Å; E470-R546 IonicContact OE1-NH2 3.83Å; E470-R546 PolarHBondContact OE1-NH2 2.87Å; E470-R546 IonicContact OE2-CZ 2.97Å; E470-R546 IonicContact OE2-NH1 3.6Å; E470-R546 PolarHBondContact OE2-NH1 2.97Å; E470-R546 IonicContact OE2-NH2 3.19Å; E470-R546 PolarHBondContact OE2-NH2 3.26Å; Q542-R546 WeakPolarHBondContact O-CB 3.47Å; Q542-R546 PolarHBondContact O-N 2.99Å; L543-R546 VanDerWaalsContact CD1-NH2 3.31Å; L543-R546 PolarHBondContact O-N 2.82Å; R546-F549 WeakPolarHBondContact O-CE1 3.41Å
547	L	95.9	Very high	96.7	Very high	18 Å²	18	38.5 Å²	38.5	9%	0.094	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	13.8	-178.6	-60.1	179.8	0	0	0	113.3	L477 L543 R545 F549 H550 F553	L477-L547 HydrophobicContact CD1-CD1 4.39Å; L477-L547 HydrophobicContact CD1-CD2 4.17Å; L477-L547 HydrophobicContact CD2-CD1 4.3Å; L543-L547 HydrophobicContact CD1-CD1 3.64Å; L543-L547 HydrophobicContact CD1-CG 4.19Å; L543-L547 HydrophobicContact CG-CD1 4.14Å; L543-L547 PolarHBondContact O-N 3.3Å; R545-L547 PolarHBondContact O-N 2.84Å; L547-F549 PolarHBondContact O-N 3.32Å; L547-F549 VanDerWaalsContact O-N 3.11Å; L547-H550 PolarHBondContact O-N 3.25Å; L547-H550 VanDerWaalsContact O-N 3.08Å; L547-F553 HydrophobicContact CB-CD1 3.64Å; L547-F553 HydrophobicContact CB-CE1 3.47Å; L547-F553 VanDerWaalsContact CB-CE1 3.47Å; L547-F553 HydrophobicContact CB-CZ 4.2Å; L547-F553 HydrophobicContact CD1-CE1 3.84Å; L547-F553 HydrophobicContact CD1-CE2 4.23Å; L547-F553 HydrophobicContact CD1-CZ 3.67Å; L547-F553 HydrophobicContact CG-CE1 4.26Å
548	A	93.3	Very high	96.6	Very high	72 Å²	72	38.6 Å²	38.6	60%	0.595	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-176	0	0	0	0	0	113.9	S544 R545 H550	S544-A548 WeakPolarHBondContact O-CA 3.49Å; S544-A548 WeakPolarHBondContact O-CB 3.34Å; S544-A548 PolarHBondContact O-N 3.08Å; S544-A548 VanDerWaalsContact O-N 3.08Å; R545-A548 WeakPolarHBondContact O-CB 3.48Å; R545-A548 PolarHBondContact O-N 3.05Å; A548-H550 PolarHBondContact O-N 2.77Å
549	F	94.2	Very high	96.5	Very high	159 Å²	159	38.7 Å²	38.7	70%	0.697	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.1	178.3	63.2	-94.5	0	0	0	113.7	R546 L547	R546-F549 WeakPolarHBondContact O-CE1 3.41Å; L547-F549 PolarHBondContact O-N 3.32Å; L547-F549 VanDerWaalsContact O-N 3.11Å
550	H	95.8	Very high	96.2	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	-91.5	106.3	174.6	-69.9	-81.6	0	0	0	111	L477 L547 A548 F553	L477-H550 HydrophobicContact CD2-CB 3.74Å; L547-H550 PolarHBondContact O-N 3.25Å; L547-H550 VanDerWaalsContact O-N 3.08Å; A548-H550 PolarHBondContact O-N 2.77Å; H550-F553 HydrophobicContact CB-CB 3.95Å; H550-F553 WeakPolarHBondContact O-CB 3.32Å; H550-F553 PolarHBondContact O-N 3.16Å
551	S	94.3	Very high	95.6	Very high	97 Å²	97	39.4 Å²	39.4	68%	0.678	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	144.6	171.8	-169.5	0	0	0	0	111.3	F553	S551-F553 PolarHBondContact O-N 3.39Å
552	G	94	Very high	94.8	Very high	23 Å²	23	38.5 Å²	38.5	24%	0.237	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-7.3	-177.5	0	0	0	0	0	114.7	G486	G486-G552 PolarHBondContact N-O 2.75Å
553	F	96.8	Very high	94	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.088	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.9	176.2	177.8	-101.7	0	0	0	112	V476 L477 A480 G486 I488 L547 H550 S551 C555	V476-F553 HydrophobicContact CG1-CD2 4.05Å; V476-F553 HydrophobicContact CG1-CE2 4.03Å; L477-F553 HydrophobicContact CD2-CB 4.03Å; L477-F553 HydrophobicContact CD2-CD2 3.73Å; L477-F553 HydrophobicContact CD2-CE2 4.34Å; L477-F553 HydrophobicContact CD2-CG 3.83Å; A480-F553 HydrophobicContact CB-CB 4.04Å; G486-F553 CarbonylContact O-C 3.58Å; G486-F553 VanDerWaalsContact O-CA 3.27Å; G486-F553 WeakPolarHBondContact O-CA 3.36Å; I488-F553 HydrophobicContact CD1-CE2 3.93Å; I488-F553 HydrophobicContact CD1-CZ 4.14Å; I488-F553 HydrophobicContact CG1-CE2 4.05Å; I488-F553 HydrophobicContact CG1-CZ 4.47Å; L547-F553 HydrophobicContact CB-CD1 3.64Å; L547-F553 HydrophobicContact CB-CE1 3.47Å; L547-F553 VanDerWaalsContact CB-CE1 3.47Å; L547-F553 HydrophobicContact CB-CZ 4.2Å; L547-F553 HydrophobicContact CD1-CE1 3.84Å; L547-F553 HydrophobicContact CD1-CE2 4.23Å; L547-F553 HydrophobicContact CD1-CZ 3.67Å; L547-F553 HydrophobicContact CG-CE1 4.26Å; H550-F553 HydrophobicContact CB-CB 3.95Å; H550-F553 WeakPolarHBondContact O-CB 3.32Å; H550-F553 PolarHBondContact O-N 3.16Å; S551-F553 PolarHBondContact O-N 3.39Å; F553-C555 HydrophobicContact CE1-CB 4.08Å; F553-C555 HydrophobicContact CZ-CB 3.89Å
554	S	97	Very high	93.1	Very high	14 Å²	14	40.4 Å²	40.4	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.2	170.3	51.1	0	0	0	0	111.7	G486 R487 I488 T609	G486-S554 PolarHBondContact O-N 3.25Å; R487-S554 CarbonylContact C-O 3.46Å; R487-S554 VanDerWaalsContact CA-O 3.3Å; R487-S554 WeakPolarHBondContact CA-O 3.37Å; R487-S554 WeakPolarHBondContact CG-OG 3.44Å; R487-S554 PolarHBondContact NE-OG 3.32Å; I488-S554 PolarHBondContact N-O 3.1Å; S554-T609 WeakPolarHBondContact CA-OG1 3.41Å
555	C	98.2	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.2	172.1	-175.3	0	0	0	0	109.6	I488 F553 T609 G610	I488-C555 HydrophobicContact CB-CB 4.31Å; I488-C555 CarbonylContact O-C 3.42Å; I488-C555 VanDerWaalsContact O-CA 3.27Å; I488-C555 WeakPolarHBondContact O-CA 3.4Å; F553-C555 HydrophobicContact CE1-CB 4.08Å; F553-C555 HydrophobicContact CZ-CB 3.89Å; C555-T609 PolarHBondContact N-OG1 2.74Å; C555-T609 PolarHBondContact O-OG1 2.69Å; C555-G610 PolarHBondContact O-N 2.77Å
556	C	98	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.4	178.8	-61.4	0	0	0	0	110.1	I488 V489 I490 V601 I608 Y613	I488-C556 PolarHBondContact O-N 3.01Å; V489-C556 WeakPolarHBondContact CA-O 3.39Å; I490-C556 PolarHBondContact N-O 3.39Å; C556-V601 HydrophobicContact CB-CG1 3.69Å; C556-I608 PolarHBondContact SG-O 3.44Å; C556-I608 VanDerWaalsContact SG-O 3.39Å; C556-Y613 HydrophobicContact CB-CD2 4.43Å; C556-Y613 HydrophobicContact CB-CE2 4.41Å
557	S	98.4	Very high	90.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.3	168.3	57.1	0	0	0	0	111	I490 E611 Y612 Y613	I490-S557 WeakPolarHBondContact O-CA 3.48Å; I490-S557 WeakPolarHBondContact O-CB 3.44Å; S557-E611 PolarHBondContact N-O 3.04Å; S557-E611 VanDerWaalsContact N-O 3.17Å; S557-Y612 CarbonylContact O-C 3.56Å; S557-Y612 WeakPolarHBondContact O-CA 3.48Å; S557-Y612 WeakPolarHBondContact OG-CD2 3.38Å; S557-Y613 PolarHBondContact O-N 2.8Å
558	L	97.8	Very high	89.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.9	179.1	76	119.1	0	0	0	114.4	V489 I490 S492 P560 D597 V598 V601 Y613	V489-L558 HydrophobicContact CG1-CD2 3.26Å; I490-L558 PolarHBondContact O-N 3.34Å; I490-L558 VanDerWaalsContact O-N 3.13Å; S492-L558 CarbonylContact C-O 3.58Å; S492-L558 WeakPolarHBondContact CA-O 3.36Å; S492-L558 PolarHBondContact N-O 2.97Å; L558-P560 HydrophobicContact CD1-CB 4.23Å; L558-D597 HydrophobicContact CD1-CB 4.47Å; L558-V598 HydrophobicContact CD1-CB 4.35Å; L558-V598 HydrophobicContact CD1-CG2 3.86Å; L558-V598 HydrophobicContact CD2-CB 4.39Å; L558-V598 HydrophobicContact CD2-CG1 4.29Å; L558-V598 HydrophobicContact CD2-CG2 4.44Å; L558-V601 HydrophobicContact CB-CG2 4.09Å; L558-V601 HydrophobicContact CD1-CG2 4.47Å; L558-V601 HydrophobicContact CD2-CB 3.73Å; L558-V601 HydrophobicContact CD2-CG1 3.99Å; L558-V601 HydrophobicContact CD2-CG2 3.81Å; L558-V601 HydrophobicContact CG-CG2 4.35Å; L558-Y613 CarbonylContact C-O 3.58Å; L558-Y613 WeakPolarHBondContact CA-O 3.34Å; L558-Y613 VanDerWaalsContact CB-O 3.32Å; L558-Y613 WeakPolarHBondContact CB-O 3.3Å
559	H	94.9	Very high	89.4	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.7	162.6	170.8	56.8	0	0	0	110.8	C326 V494 G561 Y612 Y613 E614	C326-H559 PolarHBondContact SG-NE2 2.65Å; V494-H559 PolarHBondContact N-ND1 2.66Å; H559-G561 PolarHBondContact CD2-N 3.39Å; H559-G561 VanDerWaalsContact CE1-CA 3.49Å; H559-G561 WeakPolarHBondContact CE1-CA 3.37Å; H559-G561 PolarHBondContact CE1-N 3.05Å; H559-G561 PolarHBondContact CE1-O 2.94Å; H559-G561 VanDerWaalsContact CE1-O 3.27Å; H559-G561 WeakPolarHBondContact NE2-CA 3.07Å; H559-G561 PolarHBondContact NE2-N 3.1Å; H559-G561 PolarHBondContact O-N 3.49Å; H559-Y612 WeakPolarHBondContact CB-OH 3.31Å; H559-Y613 PolarHBondContact N-O 3.41Å; H559-E614 HydrophobicContact CB-CG 4.11Å
560	P	92.4	Very high	88.7	Confident	9 Å²	9	36.1 Å²	36.1	6%	0.058	19%	0.188	C	C	.	.			trans	-84.9	15.3	-174.5	37.5	-39.9	0	0	0	113.6	I364 V491 L558 A594 V598	I364-P560 HydrophobicContact CD1-CB 4.09Å; I364-P560 HydrophobicContact CD1-CG 3.85Å; V491-P560 HydrophobicContact CG1-CB 4.47Å; V491-P560 HydrophobicContact CG1-CG 3.76Å; L558-P560 HydrophobicContact CD1-CB 4.23Å; P560-A594 HydrophobicContact CB-CB 4.23Å; P560-A594 VanDerWaalsContact O-CA 3.27Å; P560-A594 WeakPolarHBondContact O-CA 3.32Å; P560-A594 WeakPolarHBondContact O-CB 3.41Å; P560-V598 HydrophobicContact CB-CG2 3.73Å
561	G	85.5	Confident	87.9	Confident	7 Å²	7	33.6 Å²	33.6	7%	0.072	18%	0.177	C	C	.	.			trans	79.9	174.4	-168.5	0	0	0	0	0	113.4	H559 A563	H559-G561 PolarHBondContact CD2-N 3.39Å; H559-G561 VanDerWaalsContact CE1-CA 3.49Å; H559-G561 WeakPolarHBondContact CE1-CA 3.37Å; H559-G561 PolarHBondContact CE1-N 3.05Å; H559-G561 PolarHBondContact CE1-O 2.94Å; H559-G561 VanDerWaalsContact CE1-O 3.27Å; H559-G561 WeakPolarHBondContact NE2-CA 3.07Å; H559-G561 PolarHBondContact NE2-N 3.1Å; H559-G561 PolarHBondContact O-N 3.49Å; G561-A563 PolarHBondContact O-N 3.33Å
562	V	80.4	Confident	87.2	Confident	35 Å²	35	31 Å²	31	21%	0.212	16%	0.155	C	C	.	.	S	Bend	trans	-87.3	98	175.8	179.4	0	0	0	0	107.7	F568 I588 R589	V562-F568 HydrophobicContact CG1-CE2 4.35Å; V562-F568 HydrophobicContact CG1-CZ 3.87Å; V562-I588 HydrophobicContact CG1-CG1 4.26Å; V562-I588 HydrophobicContact CG1-CG2 4.37Å; V562-I588 CarbonylContact O-C 3.46Å; V562-I588 WeakPolarHBondContact O-CG2 3.24Å; V562-R589 PolarHBondContact O-N 2.79Å
563	A	80.4	Confident	86.5	Confident	5 Å²	5	33.9 Å²	33.9	4%	0.041	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-101.8	138.9	-174.3	0	0	0	0	0	112.6	I364 G561 S565 F568 R589 A594	I364-A563 HydrophobicContact CD1-CB 4.01Å; I364-A563 HydrophobicContact CG1-CB 4.23Å; G561-A563 PolarHBondContact O-N 3.33Å; A563-S565 VanDerWaalsContact C-N 3.26Å; A563-S565 PolarHBondContact O-N 2.92Å; A563-F568 WeakPolarHBondContact O-CE2 3.3Å; A563-R589 CarbonylContact C-O 3.51Å; A563-R589 VanDerWaalsContact CA-O 3.29Å; A563-R589 WeakPolarHBondContact CA-O 3.42Å; A563-A594 HydrophobicContact CB-CB 3.57Å
564	N	78.9	Confident	85.5	Confident	78 Å²	78	40.7 Å²	40.7	42%	0.417	20%	0.2	S	C	.	.			trans	-70.9	84.2	173.7	-174.4	-1.1	0	0	0	109.7	L579 I588 R589 T591	N564-L579 HydrophobicContact CB-CD2 4.11Å; N564-I588 HydrophobicContact CB-CG2 3.7Å; N564-R589 PolarHBondContact N-O 2.94Å; N564-T591 WeakPolarHBondContact O-CG2 3.46Å
565	S	80	Confident	84.6	Confident	19 Å²	19	41.6 Å²	41.6	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	-127.1	172.7	-176.5	72.3	0	0	0	0	110.9	A563 L567 F568	A563-S565 VanDerWaalsContact C-N 3.26Å; A563-S565 PolarHBondContact O-N 2.92Å; S565-L567 PolarHBondContact O-N 2.79Å; S565-L567 VanDerWaalsContact OG-CB 3.25Å; S565-L567 WeakPolarHBondContact OG-CB 3.11Å; S565-L567 PolarHBondContact OG-N 2.96Å; S565-F568 PolarHBondContact O-N 2.7Å
566	R	79.7	Confident	83.7	Confident	121 Å²	121	47 Å²	47	46%	0.457	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.8	-3.6	175	-57.6	178.5	88.9	173.6	3.1	113.4	L361 F568 R569	L361-R566 WeakPolarHBondContact O-CD 3.5Å; L361-R566 PolarHBondContact O-NH1 2.98Å; R566-F568 PolarHBondContact O-N 2.79Å; R566-R569 WeakPolarHBondContact O-CB 3.31Å; R566-R569 VanDerWaalsContact O-CD 3.29Å; R566-R569 WeakPolarHBondContact O-CD 3.33Å; R566-R569 WeakPolarHBondContact O-CG 3.39Å; R566-R569 PolarHBondContact O-N 3.32Å; R566-R569 PolarHBondContact O-NH1 3.34Å
567	L	79.9	Confident	82.7	Confident	42 Å²	42	52.3 Å²	52.3	22%	0.22	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.9	-30.3	177.2	-165.7	64	0	0	0	112.3	M442 S565 R569	M442-L567 HydrophobicContact CB-CD1 3.6Å; M442-L567 HydrophobicContact CB-CD2 4.36Å; M442-L567 HydrophobicContact CB-CG 3.63Å; M442-L567 HydrophobicContact CE-CG 4.27Å; M442-L567 HydrophobicContact SD-CD2 4.17Å; M442-L567 HydrophobicContact SD-CG 4.17Å; S565-L567 PolarHBondContact O-N 2.79Å; S565-L567 VanDerWaalsContact OG-CB 3.25Å; S565-L567 WeakPolarHBondContact OG-CB 3.11Å; S565-L567 PolarHBondContact OG-N 2.96Å; L567-R569 VanDerWaalsContact C-N 3.25Å; L567-R569 PolarHBondContact O-N 3.5Å
568	F	78.5	Confident	81.7	Confident	34 Å²	34	55.6 Å²	55.6	15%	0.149	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-77.4	-1.3	179.5	-74.6	-87.7	0	0	0	114.9	M442 V562 A563 S565 R566 H570 T571 N575 R576 L579	M442-F568 HydrophobicContact CE-CD1 3.91Å; M442-F568 HydrophobicContact CE-CE1 3.99Å; M442-F568 HydrophobicContact CE-CG 4.27Å; M442-F568 HydrophobicContact CE-CZ 4.44Å; V562-F568 HydrophobicContact CG1-CE2 4.35Å; V562-F568 HydrophobicContact CG1-CZ 3.87Å; A563-F568 WeakPolarHBondContact O-CE2 3.3Å; S565-F568 PolarHBondContact O-N 2.7Å; R566-F568 PolarHBondContact O-N 2.79Å; F568-H570 VanDerWaalsContact C-N 3.26Å; F568-H570 PolarHBondContact O-N 2.85Å; F568-H570 VanDerWaalsContact O-N 3.17Å; F568-T571 HydrophobicContact CB-CG2 4.42Å; F568-T571 HydrophobicContact CD1-CG2 3.85Å; F568-T571 HydrophobicContact CG-CG2 4.49Å; F568-T571 WeakPolarHBondContact O-CB 3.32Å; F568-T571 PolarHBondContact O-N 2.62Å; F568-T571 PolarHBondContact O-OG1 3.23Å; F568-N575 HydrophobicContact CD1-CB 4.33Å; F568-R576 WeakPolarHBondContact O-CG 3.49Å; F568-L579 HydrophobicContact CB-CD1 3.41Å; F568-L579 VanDerWaalsContact CB-CD1 3.41Å; F568-L579 HydrophobicContact CD1-CD1 4.01Å; F568-L579 HydrophobicContact CD2-CD1 3.86Å; F568-L579 HydrophobicContact CD2-CD2 4.5Å; F568-L579 HydrophobicContact CG-CD1 3.5Å
569	R	83.1	Confident	80.7	Confident	101 Å²	101	56.5 Å²	56.5	38%	0.381	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.1	-31	-171.7	68.8	-171.8	170.9	-108.8	10.4	114.6	R566 L567 R576	R566-R569 WeakPolarHBondContact O-CB 3.31Å; R566-R569 VanDerWaalsContact O-CD 3.29Å; R566-R569 WeakPolarHBondContact O-CD 3.33Å; R566-R569 WeakPolarHBondContact O-CG 3.39Å; R566-R569 PolarHBondContact O-N 3.32Å; R566-R569 PolarHBondContact O-NH1 3.34Å; L567-R569 VanDerWaalsContact C-N 3.25Å; L567-R569 PolarHBondContact O-N 3.5Å; R569-R576 PolarHBondContact O-NH1 3.38Å
570	H	78.3	Confident	79.9	Confident	83 Å²	83	64.5 Å²	64.5	38%	0.384	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-100.8	3.3	178	-57.7	-66.9	0	0	0	113.4	M443 F568	M443-H570 VanDerWaalsContact O-CB 3.32Å; M443-H570 WeakPolarHBondContact O-CB 3.25Å; F568-H570 VanDerWaalsContact C-N 3.26Å; F568-H570 PolarHBondContact O-N 2.85Å; F568-H570 VanDerWaalsContact O-N 3.17Å
571	T	79.3	Confident	79.2	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.043	32%	0.319	C	S	.	.	S	Bend	trans	-75	168.2	173.8	65	0	0	0	0	111.5	M442 M443 F568 N575 R576	M442-T571 HydrophobicContact CE-CG2 3.31Å; M443-T571 HydrophobicContact SD-CG2 4.2Å; F568-T571 HydrophobicContact CB-CG2 4.42Å; F568-T571 HydrophobicContact CD1-CG2 3.85Å; F568-T571 HydrophobicContact CG-CG2 4.49Å; F568-T571 WeakPolarHBondContact O-CB 3.32Å; F568-T571 PolarHBondContact O-N 2.62Å; F568-T571 PolarHBondContact O-OG1 3.23Å; T571-N575 WeakPolarHBondContact OG1-CB 3.1Å; T571-R576 PolarHBondContact O-NE 3Å
572	N	79.8	Confident	78.7	Confident	42 Å²	42	70.7 Å²	70.7	23%	0.225	35%	0.346	C	S	.	.			trans	-56.9	157.6	-178.2	71.3	22.1	0	0	0	112.6	F316 Y320 F574 N575 R576	F316-N572 VanDerWaalsContact CE2-ND2 3.27Å; F316-N572 WeakPolarHBondContact CE2-ND2 3.46Å; Y320-N572 PolarHBondContact OH-ND2 3.11Å; Y320-N572 PolarHBondContact OH-OD1 2.82Å; N572-F574 PolarHBondContact O-N 3.05Å; N572-F574 PolarHBondContact OD1-N 2.82Å; N572-N575 PolarHBondContact O-N 3.38Å; N572-N575 WeakPolarHBondContact OD1-CB 3.49Å; N572-N575 VanDerWaalsContact OD1-CG 3.26Å; N572-N575 PolarHBondContact OD1-N 3.14Å; N572-R576 PolarHBondContact O-N 3.48Å
573	P	79.1	Confident	78.3	Confident	84 Å²	84	74 Å²	74	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-55.4	-34.8	179.3	-26.7	35.4	0	0	0	113.6	R576 L577	P573-R576 PolarHBondContact O-N 2.97Å; P573-L577 WeakPolarHBondContact O-CB 3.37Å; P573-L577 PolarHBondContact O-N 3.2Å
574	F	76.6	Confident	78.2	Confident	163 Å²	163	74 Å²	74	72%	0.715	36%	0.361	S	S	*	.	H	α-helix	trans	-60.5	-45.7	178.7	-66.9	-80	0	0	0	112.5	N572 R576 L577 F578	N572-F574 PolarHBondContact O-N 3.05Å; N572-F574 PolarHBondContact OD1-N 2.82Å; F574-R576 PolarHBondContact O-N 3.18Å; F574-L577 PolarHBondContact O-N 3.09Å; F574-F578 WeakPolarHBondContact O-CB 3.3Å; F574-F578 PolarHBondContact O-N 3.13Å
575	N	78.2	Confident	77.9	Confident	33 Å²	33	78 Å²	78	18%	0.176	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-43	177.1	-74.2	-11.8	0	0	0	111.6	Y320 F568 T571 N572 L577 F578 L579	Y320-N575 PolarHBondContact OH-ND2 3.38Å; Y320-N575 PolarHBondContact OH-OD1 2.81Å; F568-N575 HydrophobicContact CD1-CB 4.33Å; T571-N575 WeakPolarHBondContact OG1-CB 3.1Å; N572-N575 PolarHBondContact O-N 3.38Å; N572-N575 WeakPolarHBondContact OD1-CB 3.49Å; N572-N575 VanDerWaalsContact OD1-CG 3.26Å; N572-N575 PolarHBondContact OD1-N 3.14Å; N575-L577 VanDerWaalsContact C-N 3.29Å; N575-L577 PolarHBondContact O-N 3.41Å; N575-F578 PolarHBondContact O-N 3.49Å; N575-L579 VanDerWaalsContact O-CG 3.31Å; N575-L579 WeakPolarHBondContact O-CG 3.36Å; N575-L579 PolarHBondContact O-N 2.91Å
576	R	78.8	Confident	77.4	Confident	113 Å²	113	85.2 Å²	85.2	43%	0.426	40%	0.401	S	S	.	.	H	α-helix	trans	-66.1	-33.2	177.8	-62.6	-174	-60.1	-178.9	4.8	112	F568 R569 T571 N572 P573 F574	F568-R576 WeakPolarHBondContact O-CG 3.49Å; R569-R576 PolarHBondContact O-NH1 3.38Å; T571-R576 PolarHBondContact O-NE 3Å; N572-R576 PolarHBondContact O-N 3.48Å; P573-R576 PolarHBondContact O-N 2.97Å; F574-R576 PolarHBondContact O-N 3.18Å
577	L	77	Confident	77.1	Confident	113 Å²	113	80.6 Å²	80.6	59%	0.592	39%	0.386	S	S	*	.	H	α-helix	trans	-73.7	-44.8	174.3	-172.7	64	0	0	0	111.2	P573 F574 N575 L579 K580	P573-L577 WeakPolarHBondContact O-CB 3.37Å; P573-L577 PolarHBondContact O-N 3.2Å; F574-L577 PolarHBondContact O-N 3.09Å; N575-L577 VanDerWaalsContact C-N 3.29Å; N575-L577 PolarHBondContact O-N 3.41Å; L577-L579 VanDerWaalsContact C-N 3.29Å; L577-L579 PolarHBondContact O-N 3.29Å; L577-K580 WeakPolarHBondContact O-CB 3Å; L577-K580 PolarHBondContact O-N 3.43Å
578	F	76.5	Confident	77.1	Confident	69 Å²	69	79.3 Å²	79.3	30%	0.303	38%	0.379	S	S	.	.	H	α-helix	trans	-55.2	-45.1	176.5	178.7	-105.2	0	0	0	111.2	F574 N575 K580 T581 L583 S584 V587 I588	F574-F578 WeakPolarHBondContact O-CB 3.3Å; F574-F578 PolarHBondContact O-N 3.13Å; N575-F578 PolarHBondContact O-N 3.49Å; F578-K580 PolarHBondContact O-N 2.96Å; F578-K580 VanDerWaalsContact O-N 3.11Å; F578-T581 WeakPolarHBondContact O-CB 3.42Å; F578-T581 WeakPolarHBondContact O-CG2 3.34Å; F578-T581 PolarHBondContact O-N 3.15Å; F578-T581 PolarHBondContact O-OG1 3.47Å; F578-L583 HydrophobicContact CE2-CD2 4.09Å; F578-L583 HydrophobicContact CE2-CG 4.31Å; F578-S584 VanDerWaalsContact O-CB 3.31Å; F578-S584 WeakPolarHBondContact O-CB 3.44Å; F578-V587 HydrophobicContact CE1-CG1 4.26Å; F578-V587 HydrophobicContact CZ-CB 4.3Å; F578-V587 HydrophobicContact CZ-CG1 4.15Å; F578-V587 HydrophobicContact CZ-CG2 4.31Å; F578-I588 HydrophobicContact CD1-CD1 3.85Å; F578-I588 HydrophobicContact CE1-CD1 3.64Å; F578-I588 HydrophobicContact CE1-CG1 4.19Å
579	L	77.1	Confident	77.3	Confident	21 Å²	21	77.9 Å²	77.9	11%	0.11	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	176.3	-76.8	165.3	0	0	0	114.1	N564 F568 N575 L577 S584 I588	N564-L579 HydrophobicContact CB-CD2 4.11Å; F568-L579 HydrophobicContact CB-CD1 3.41Å; F568-L579 VanDerWaalsContact CB-CD1 3.41Å; F568-L579 HydrophobicContact CD1-CD1 4.01Å; F568-L579 HydrophobicContact CD2-CD1 3.86Å; F568-L579 HydrophobicContact CD2-CD2 4.5Å; F568-L579 HydrophobicContact CG-CD1 3.5Å; N575-L579 VanDerWaalsContact O-CG 3.31Å; N575-L579 WeakPolarHBondContact O-CG 3.36Å; N575-L579 PolarHBondContact O-N 2.91Å; L577-L579 VanDerWaalsContact C-N 3.29Å; L577-L579 PolarHBondContact O-N 3.29Å; L579-S584 PolarHBondContact O-OG 3.22Å; L579-I588 HydrophobicContact CD2-CD1 3.36Å; L579-I588 HydrophobicContact CD2-CG2 4.02Å; L579-I588 HydrophobicContact CG-CD1 4.19Å
580	K	79.4	Confident	77.5	Confident	176 Å²	176	75.3 Å²	75.3	77%	0.765	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.4	177.2	-64	178.1	-179.7	-175.9	0	113.5	L577 F578	L577-K580 WeakPolarHBondContact O-CB 3Å; L577-K580 PolarHBondContact O-N 3.43Å; F578-K580 PolarHBondContact O-N 2.96Å; F578-K580 VanDerWaalsContact O-N 3.11Å
581	T	77.4	Confident	78.1	Confident	55 Å²	55	72.6 Å²	72.6	34%	0.337	36%	0.359	S	S	.	.	S	Bend	trans	-75.6	156.5	-179.3	69.6	0	0	0	0	111.9	F578 L583 S584	F578-T581 WeakPolarHBondContact O-CB 3.42Å; F578-T581 WeakPolarHBondContact O-CG2 3.34Å; F578-T581 PolarHBondContact O-N 3.15Å; F578-T581 PolarHBondContact O-OG1 3.47Å; T581-L583 PolarHBondContact O-N 3.07Å; T581-S584 PolarHBondContact O-N 3.44Å; T581-S584 PolarHBondContact O-OG 2.81Å; T581-S584 PolarHBondContact OG1-N 3.14Å
582	S	75.3	Confident	78.7	Confident	90 Å²	90	73.3 Å²	73.3	63%	0.629	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.2	170.9	-61.5	0	0	0	0	112.4	S584 K585 Y586	S582-S584 VanDerWaalsContact C-N 3.27Å; S582-S584 PolarHBondContact O-N 3.09Å; S582-K585 PolarHBondContact O-N 3.23Å; S582-Y586 WeakPolarHBondContact O-CD2 3.46Å
583	L	71.9	Confident	79.1	Confident	106 Å²	106	73.2 Å²	73.2	56%	0.555	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.3	178.9	-174.3	60.5	0	0	0	111.5	F578 T581 K585 Y586 V587	F578-L583 HydrophobicContact CE2-CD2 4.09Å; F578-L583 HydrophobicContact CE2-CG 4.31Å; T581-L583 PolarHBondContact O-N 3.07Å; L583-K585 PolarHBondContact O-N 3.26Å; L583-K585 VanDerWaalsContact O-N 3.14Å; L583-Y586 PolarHBondContact O-N 2.81Å; L583-V587 HydrophobicContact CD1-CG2 4.49Å; L583-V587 HydrophobicContact CG-CG2 4.34Å; L583-V587 WeakPolarHBondContact O-CG2 3.26Å
584	S	76.8	Confident	79.8	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-30.9	179.7	77.6	0	0	0	0	113.1	F578 L579 T581 S582 Y586 V587 I588	F578-S584 VanDerWaalsContact O-CB 3.31Å; F578-S584 WeakPolarHBondContact O-CB 3.44Å; L579-S584 PolarHBondContact O-OG 3.22Å; T581-S584 PolarHBondContact O-N 3.44Å; T581-S584 PolarHBondContact O-OG 2.81Å; T581-S584 PolarHBondContact OG1-N 3.14Å; S582-S584 VanDerWaalsContact C-N 3.27Å; S582-S584 PolarHBondContact O-N 3.09Å; S584-Y586 PolarHBondContact O-N 3.14Å; S584-V587 PolarHBondContact O-N 3.24Å; S584-V587 VanDerWaalsContact O-N 3.09Å; S584-I588 WeakPolarHBondContact O-CA 3.38Å; S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.34Å; S584-I588 PolarHBondContact O-N 3.33Å
585	K	72.4	Confident	80.6	Confident	161 Å²	161	61.5 Å²	61.5	70%	0.7	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-23.6	-179.7	-62.4	-179.3	-178	175	0	113.4	S582 L583	S582-K585 PolarHBondContact O-N 3.23Å; L583-K585 PolarHBondContact O-N 3.26Å; L583-K585 VanDerWaalsContact O-N 3.14Å
586	Y	70	Confident	81.3	Confident	172 Å²	172	62.8 Å²	62.8	68%	0.675	31%	0.308	S	S	*	.	H	α-helix	trans	-89.6	-12.3	177.2	-60.3	-78.8	0	0	0	112.7	S582 L583 S584	S582-Y586 WeakPolarHBondContact O-CD2 3.46Å; L583-Y586 PolarHBondContact O-N 2.81Å; S584-Y586 PolarHBondContact O-N 3.14Å
587	V	73.5	Confident	81.9	Confident	23 Å²	23	57.7 Å²	57.7	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-116.8	-34.7	-168.9	178.5	0	0	0	0	111.3	F327 F578 L583 S584	F327-V587 HydrophobicContact CB-CG1 4.5Å; F327-V587 HydrophobicContact CD2-CB 3.9Å; F327-V587 HydrophobicContact CD2-CG1 3.23Å; F327-V587 HydrophobicContact CD2-CG2 4.21Å; F327-V587 HydrophobicContact CE2-CB 3.67Å; F327-V587 HydrophobicContact CE2-CG1 3.47Å; F327-V587 VanDerWaalsContact CE2-CG1 3.47Å; F327-V587 HydrophobicContact CE2-CG2 3.52Å; F327-V587 HydrophobicContact CG-CG1 3.91Å; F327-V587 HydrophobicContact CZ-CG1 4.28Å; F327-V587 HydrophobicContact CZ-CG2 3.95Å; F578-V587 HydrophobicContact CE1-CG1 4.26Å; F578-V587 HydrophobicContact CZ-CB 4.3Å; F578-V587 HydrophobicContact CZ-CG1 4.15Å; F578-V587 HydrophobicContact CZ-CG2 4.31Å; L583-V587 HydrophobicContact CD1-CG2 4.49Å; L583-V587 HydrophobicContact CG-CG2 4.34Å; L583-V587 WeakPolarHBondContact O-CG2 3.26Å; S584-V587 PolarHBondContact O-N 3.24Å; S584-V587 VanDerWaalsContact O-N 3.09Å
588	I	79.5	Confident	82.8	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.077	26%	0.262	C	S	.	.	S	Bend	trans	-115	123	-171.2	-61.5	-174.5	0	0	0	108.5	V562 N564 F578 L579 S584	V562-I588 HydrophobicContact CG1-CG1 4.26Å; V562-I588 HydrophobicContact CG1-CG2 4.37Å; V562-I588 CarbonylContact O-C 3.46Å; V562-I588 WeakPolarHBondContact O-CG2 3.24Å; N564-I588 HydrophobicContact CB-CG2 3.7Å; F578-I588 HydrophobicContact CD1-CD1 3.85Å; F578-I588 HydrophobicContact CE1-CD1 3.64Å; F578-I588 HydrophobicContact CE1-CG1 4.19Å; L579-I588 HydrophobicContact CD2-CD1 3.36Å; L579-I588 HydrophobicContact CD2-CG2 4.02Å; L579-I588 HydrophobicContact CG-CD1 4.19Å; S584-I588 WeakPolarHBondContact O-CA 3.38Å; S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.34Å; S584-I588 PolarHBondContact O-N 3.33Å
589	R	83	Confident	83.6	Confident	4 Å²	4	49 Å²	49	2%	0.015	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-62.6	150.8	-178.7	-71.5	-175.6	175.7	170.5	4.2	111.1	W334 V562 A563 N564 D593 D597 N615	W334-R589 HydrophobicContact CD2-CG 4.33Å; W334-R589 HydrophobicContact CE3-CG 4.2Å; W334-R589 HydrophobicContact CH2-CB 4.3Å; W334-R589 HydrophobicContact CH2-CG 3.59Å; W334-R589 HydrophobicContact CZ2-CB 4.31Å; W334-R589 HydrophobicContact CZ2-CG 3.71Å; W334-R589 HydrophobicContact CZ3-CG 3.83Å; V562-R589 PolarHBondContact O-N 2.79Å; A563-R589 CarbonylContact C-O 3.51Å; A563-R589 VanDerWaalsContact CA-O 3.29Å; A563-R589 WeakPolarHBondContact CA-O 3.42Å; N564-R589 PolarHBondContact N-O 2.94Å; R589-D593 HydrophobicContact CB-CB 4.23Å; R589-D597 IonicContact CZ-OD2 3.79Å; R589-D597 IonicContact NH1-OD1 3.79Å; R589-D597 IonicContact NH1-OD2 3.74Å; R589-D597 PolarHBondContact NH1-OD2 2.78Å; R589-N615 PolarHBondContact NH1-OD1 2.81Å; R589-N615 PolarHBondContact NH2-OD1 2.9Å
590	S	87.9	Confident	84.4	Confident	48 Å²	48	49.5 Å²	49.5	34%	0.336	25%	0.248	S	C	.	.			trans	-67.4	155.8	165.2	75.8	0	0	0	0	109.8	S592 D593 A594	S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 PolarHBondContact OG-N 2.95Å; S590-D593 WeakPolarHBondContact CB-OD2 3.26Å; S590-D593 PolarHBondContact N-OD2 3.49Å; S590-D593 PolarHBondContact O-N 2.78Å; S590-D593 VanDerWaalsContact O-N 3.1Å; S590-D593 PolarHBondContact OG-N 2.77Å; S590-D593 PolarHBondContact OG-OD2 3.04Å; S590-A594 PolarHBondContact O-N 3.02Å; S590-A594 VanDerWaalsContact O-N 3.1Å
591	T	90.6	Very high	85.1	Confident	25 Å²	25	41.2 Å²	41.2	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-27.1	170.8	48.8	0	0	0	0	112.3	I364 N564 A595	I364-T591 HydrophobicContact CG1-CG2 4.37Å; N564-T591 WeakPolarHBondContact O-CG2 3.46Å; T591-A595 WeakPolarHBondContact O-CB 3.33Å; T591-A595 PolarHBondContact O-N 3.4Å
592	S	91.3	Very high	85.9	Confident	22 Å²	22	38.6 Å²	38.6	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-69.6	-38.3	175.4	-171.5	0	0	0	0	111.8	R370 Y371 S590 A595 K596	R370-S592 PolarHBondContact NH2-OG 2.87Å; R370-S592 VanDerWaalsContact NH2-OG 3.16Å; Y371-S592 WeakPolarHBondContact CE2-OG 3.39Å; Y371-S592 PolarHBondContact OH-OG 2.78Å; S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 PolarHBondContact OG-N 2.95Å; S592-A595 PolarHBondContact O-N 3.36Å; S592-K596 WeakPolarHBondContact O-CG 3.33Å; S592-K596 PolarHBondContact O-N 3.01Å
593	D	89.7	Confident	86.7	Confident	41 Å²	41	34.3 Å²	34.3	22%	0.219	17%	0.166	C	C	.	.	H	α-helix	trans	-71.4	-43.3	177.8	-60.9	-43.9	0	0	0	110.9	R589 S590 A595 K596 D597	R589-D593 HydrophobicContact CB-CB 4.23Å; S590-D593 WeakPolarHBondContact CB-OD2 3.26Å; S590-D593 PolarHBondContact N-OD2 3.49Å; S590-D593 PolarHBondContact O-N 2.78Å; S590-D593 VanDerWaalsContact O-N 3.1Å; S590-D593 PolarHBondContact OG-N 2.77Å; S590-D593 PolarHBondContact OG-OD2 3.04Å; D593-A595 VanDerWaalsContact C-N 3.25Å; D593-A595 PolarHBondContact O-N 2.84Å; D593-K596 WeakPolarHBondContact O-CA 3.25Å; D593-K596 VanDerWaalsContact O-CB 3.29Å; D593-K596 WeakPolarHBondContact O-CB 3.39Å; D593-K596 PolarHBondContact O-N 2.96Å; D593-K596 IonicContact OD1-NZ 2.8Å; D593-K596 PolarHBondContact OD1-NZ 2.68Å; D593-D597 PolarHBondContact O-N 3.49Å
594	A	92	Very high	87.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-35.9	173.6	0	0	0	0	0	112.8	I364 P560 A563 S590 K596 D597 V598	I364-A594 HydrophobicContact CD1-CB 3.75Å; I364-A594 HydrophobicContact CG1-CB 3.89Å; I364-A594 HydrophobicContact CG2-CB 4.44Å; P560-A594 HydrophobicContact CB-CB 4.23Å; P560-A594 VanDerWaalsContact O-CA 3.27Å; P560-A594 WeakPolarHBondContact O-CA 3.32Å; P560-A594 WeakPolarHBondContact O-CB 3.41Å; A563-A594 HydrophobicContact CB-CB 3.57Å; S590-A594 PolarHBondContact O-N 3.02Å; S590-A594 VanDerWaalsContact O-N 3.1Å; A594-K596 VanDerWaalsContact C-N 3.29Å; A594-K596 PolarHBondContact O-N 3.35Å; A594-D597 PolarHBondContact O-N 3.49Å; A594-V598 WeakPolarHBondContact O-CG2 3.5Å; A594-V598 PolarHBondContact O-N 3.41Å
595	A	94.2	Very high	88	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-30.6	173.5	0	0	0	0	0	112.7	I364 E367 L368 Y371 T591 S592 D593 L599	I364-A595 HydrophobicContact CG2-CB 4.08Å; E367-A595 HydrophobicContact CB-CB 3.67Å; L368-A595 HydrophobicContact CD2-CB 3.84Å; L368-A595 WeakPolarHBondContact CD2-O 3.45Å; L368-A595 HydrophobicContact CG-CB 4Å; Y371-A595 HydrophobicContact CD2-CB 4.31Å; Y371-A595 HydrophobicContact CE2-CB 4.43Å; T591-A595 WeakPolarHBondContact O-CB 3.33Å; T591-A595 PolarHBondContact O-N 3.4Å; S592-A595 PolarHBondContact O-N 3.36Å; D593-A595 VanDerWaalsContact C-N 3.25Å; D593-A595 PolarHBondContact O-N 2.84Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 VanDerWaalsContact O-CG 3.29Å; A595-L599 WeakPolarHBondContact O-CG 3.45Å; A595-L599 PolarHBondContact O-N 3.24Å
596	K	92.6	Very high	88.7	Confident	60 Å²	60	30.7 Å²	30.7	26%	0.261	16%	0.159	S	C	.	.	H	α-helix	trans	-65.7	-40.9	175	-64.6	169.5	-171.2	158.5	0	111.4	F339 Y371 S592 D593 A594 L599 W600	F339-K596 HydrophobicContact CB-CB 4.23Å; F339-K596 HydrophobicContact CB-CD 4.43Å; F339-K596 HydrophobicContact CB-CG 4.38Å; F339-K596 HydrophobicContact CD1-CD 4.26Å; F339-K596 HydrophobicContact CD1-CG 4.01Å; F339-K596 HydrophobicContact CD2-CB 3.44Å; F339-K596 VanDerWaalsContact CD2-CB 3.44Å; F339-K596 HydrophobicContact CD2-CD 4.46Å; F339-K596 HydrophobicContact CD2-CG 3.57Å; F339-K596 HydrophobicContact CE1-CG 4.14Å; F339-K596 HydrophobicContact CE2-CB 3.89Å; F339-K596 HydrophobicContact CE2-CG 3.71Å; F339-K596 HydrophobicContact CG-CB 3.86Å; F339-K596 HydrophobicContact CG-CD 4.12Å; F339-K596 HydrophobicContact CG-CG 3.71Å; F339-K596 HydrophobicContact CZ-CG 3.99Å; Y371-K596 HydrophobicContact CE2-CG 4.36Å; Y371-K596 WeakPolarHBondContact OH-CE 3.35Å; S592-K596 WeakPolarHBondContact O-CG 3.33Å; S592-K596 PolarHBondContact O-N 3.01Å; D593-K596 WeakPolarHBondContact O-CA 3.25Å; D593-K596 VanDerWaalsContact O-CB 3.29Å; D593-K596 WeakPolarHBondContact O-CB 3.39Å; D593-K596 PolarHBondContact O-N 2.96Å; D593-K596 IonicContact OD1-NZ 2.8Å; D593-K596 PolarHBondContact OD1-NZ 2.68Å; A594-K596 VanDerWaalsContact C-N 3.29Å; A594-K596 PolarHBondContact O-N 3.35Å; K596-L599 PolarHBondContact O-N 2.81Å; K596-W600 WeakPolarHBondContact O-CB 3.5Å; K596-W600 PolarHBondContact O-N 2.99Å
597	D	91.9	Very high	89.7	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-46.5	176.8	-68.1	-42.9	0	0	0	111.5	V337 L558 R589 D593 A594 L599 W600 V601	V337-D597 WeakPolarHBondContact CG2-OD1 3.43Å; L558-D597 HydrophobicContact CD1-CB 4.47Å; R589-D597 IonicContact CZ-OD2 3.79Å; R589-D597 IonicContact NH1-OD1 3.79Å; R589-D597 IonicContact NH1-OD2 3.74Å; R589-D597 PolarHBondContact NH1-OD2 2.78Å; D593-D597 PolarHBondContact O-N 3.49Å; A594-D597 PolarHBondContact O-N 3.49Å; D597-L599 VanDerWaalsContact C-N 3.35Å; D597-L599 PolarHBondContact O-N 3.17Å; D597-W600 PolarHBondContact O-N 3.42Å; D597-V601 PolarHBondContact O-N 2.84Å
598	V	95.3	Very high	90.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-45.5	176.5	177.2	0	0	0	0	110.6	I364 L368 I436 V489 V491 L558 P560 A594 W600 V601 A602	I364-V598 HydrophobicContact CG2-CG2 4.31Å; L368-V598 HydrophobicContact CD1-CB 4.45Å; L368-V598 HydrophobicContact CD1-CG1 3.97Å; L368-V598 HydrophobicContact CD2-CB 3.83Å; L368-V598 HydrophobicContact CD2-CG1 3.8Å; I436-V598 HydrophobicContact CD1-CG1 4.35Å; I436-V598 HydrophobicContact CG2-CG1 3.74Å; V489-V598 HydrophobicContact CG1-CG1 4.25Å; V491-V598 HydrophobicContact CG2-CG1 4.3Å; V491-V598 HydrophobicContact CG2-CG2 4.13Å; L558-V598 HydrophobicContact CD1-CB 4.35Å; L558-V598 HydrophobicContact CD1-CG2 3.86Å; L558-V598 HydrophobicContact CD2-CB 4.39Å; L558-V598 HydrophobicContact CD2-CG1 4.29Å; L558-V598 HydrophobicContact CD2-CG2 4.44Å; P560-V598 HydrophobicContact CB-CG2 3.73Å; A594-V598 WeakPolarHBondContact O-CG2 3.5Å; A594-V598 PolarHBondContact O-N 3.41Å; V598-W600 VanDerWaalsContact C-N 3.32Å; V598-W600 PolarHBondContact O-N 3.26Å; V598-V601 PolarHBondContact O-N 3.49Å; V598-A602 WeakPolarHBondContact O-CB 3.24Å; V598-A602 PolarHBondContact O-N 3.37Å
599	L	94.3	Very high	91.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-31.9	179.9	-75.8	167.3	0	0	0	113	F339 M343 L368 Y371 L372 I436 A595 K596 D597 A602 C603	F339-L599 HydrophobicContact CD2-CB 4.47Å; F339-L599 HydrophobicContact CE2-CB 3.9Å; F339-L599 HydrophobicContact CE2-CD1 3.83Å; F339-L599 HydrophobicContact CZ-CD1 4.28Å; M343-L599 HydrophobicContact CE-CD1 4.48Å; M343-L599 HydrophobicContact SD-CB 3.87Å; M343-L599 HydrophobicContact SD-CD1 4.17Å; M343-L599 HydrophobicContact SD-CD2 4.37Å; M343-L599 HydrophobicContact SD-CG 4.34Å; L368-L599 HydrophobicContact CD2-CD1 4.03Å; L368-L599 HydrophobicContact CD2-CD2 4.03Å; L368-L599 HydrophobicContact CD2-CG 3.57Å; Y371-L599 HydrophobicContact CD2-CD1 3.89Å; Y371-L599 HydrophobicContact CG-CD1 3.87Å; L372-L599 HydrophobicContact CD2-CD2 3.81Å; L372-L599 HydrophobicContact CG-CD2 3.98Å; I436-L599 HydrophobicContact CD1-CD2 4.46Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 VanDerWaalsContact O-CG 3.29Å; A595-L599 WeakPolarHBondContact O-CG 3.45Å; A595-L599 PolarHBondContact O-N 3.24Å; K596-L599 PolarHBondContact O-N 2.81Å; D597-L599 VanDerWaalsContact C-N 3.35Å; D597-L599 PolarHBondContact O-N 3.17Å; L599-A602 CarbonylContact O-C 3.56Å; L599-A602 PolarHBondContact O-N 2.75Å; L599-C603 VanDerWaalsContact O-CB 3.25Å; L599-C603 WeakPolarHBondContact O-CB 3.36Å; L599-C603 PolarHBondContact O-N 3.15Å
600	W	93.5	Very high	92.2	Very high	31 Å²	31	29.1 Å²	29.1	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-50.1	173.4	-176.8	91.2	0	0	0	109.8	V337 A342 K596 D597 V598 A602 C603 A604 T607 Y613 S616	V337-W600 HydrophobicContact CG1-CB 3.7Å; V337-W600 HydrophobicContact CG1-CG 3.74Å; A342-W600 HydrophobicContact CB-CG 4.35Å; K596-W600 WeakPolarHBondContact O-CB 3.5Å; K596-W600 PolarHBondContact O-N 2.99Å; D597-W600 PolarHBondContact O-N 3.42Å; V598-W600 VanDerWaalsContact C-N 3.32Å; V598-W600 PolarHBondContact O-N 3.26Å; W600-A602 VanDerWaalsContact C-N 3.28Å; W600-A602 PolarHBondContact O-N 3.23Å; W600-C603 PolarHBondContact O-N 2.84Å; W600-A604 HydrophobicContact CD2-CB 4.23Å; W600-A604 HydrophobicContact CZ2-CB 4.3Å; W600-A604 WeakPolarHBondContact O-CB 3.33Å; W600-A604 PolarHBondContact O-N 2.77Å; W600-T607 HydrophobicContact CZ3-CG2 4.33Å; W600-Y613 HydrophobicContact CH2-CE1 4.26Å; W600-Y613 AromaticContact CZ3-CD1 3.83Å; W600-Y613 HydrophobicContact CZ3-CD1 3.83Å; W600-Y613 AromaticContact CZ3-CE1 3.91Å; W600-Y613 HydrophobicContact CZ3-CE1 3.91Å; W600-S616 VanDerWaalsContact CE3-OG 3.3Å; W600-S616 WeakPolarHBondContact CH2-O 3.48Å
601	V	94.6	Very high	92.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-35.8	174.9	-179.4	0	0	0	0	111.5	R487 V489 C556 L558 D597 V598 C603 T607 Y613	R487-V601 PolarHBondContact NH1-O 2.98Å; V489-V601 HydrophobicContact CG1-CG1 4.38Å; V489-V601 HydrophobicContact CG2-CG1 4.43Å; C556-V601 HydrophobicContact CB-CG1 3.69Å; L558-V601 HydrophobicContact CB-CG2 4.09Å; L558-V601 HydrophobicContact CD1-CG2 4.47Å; L558-V601 HydrophobicContact CD2-CB 3.73Å; L558-V601 HydrophobicContact CD2-CG1 3.99Å; L558-V601 HydrophobicContact CD2-CG2 3.81Å; L558-V601 HydrophobicContact CG-CG2 4.35Å; D597-V601 PolarHBondContact O-N 2.84Å; V598-V601 PolarHBondContact O-N 3.49Å; V601-C603 VanDerWaalsContact C-N 3.35Å; V601-C603 PolarHBondContact O-N 3.14Å; V601-T607 HydrophobicContact CG1-CG2 4.35Å; V601-Y613 HydrophobicContact CG1-CD2 4.19Å; V601-Y613 HydrophobicContact CG2-CD1 4.47Å; V601-Y613 HydrophobicContact CG2-CD2 4.39Å; V601-Y613 HydrophobicContact CG2-CG 3.99Å
602	A	94.6	Very high	93	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-22.7	-179.3	0	0	0	0	0	115	L434 R487 V489 V598 L599 W600	L434-A602 HydrophobicContact CD1-CB 3.77Å; L434-A602 HydrophobicContact CD2-CB 3.83Å; L434-A602 HydrophobicContact CG-CB 4.43Å; R487-A602 VanDerWaalsContact CD-O 3.29Å; R487-A602 WeakPolarHBondContact CD-O 3.19Å; R487-A602 PolarHBondContact NH1-O 2.93Å; V489-A602 HydrophobicContact CG2-CB 3.87Å; V598-A602 WeakPolarHBondContact O-CB 3.24Å; V598-A602 PolarHBondContact O-N 3.37Å; L599-A602 CarbonylContact O-C 3.56Å; L599-A602 PolarHBondContact O-N 2.75Å; W600-A602 VanDerWaalsContact C-N 3.28Å; W600-A602 PolarHBondContact O-N 3.23Å
603	C	91.4	Very high	93.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-127.7	-16.2	-170.5	-67	0	0	0	0	114.2	M343 C346 L599 W600 V601	M343-C603 HydrophobicContact SD-CB 4.49Å; C346-C603 HydrophobicContact CB-CB 3.47Å; C346-C603 VanDerWaalsContact CB-CB 3.47Å; C346-C603 WeakPolarHBondContact CB-SG 3.43Å; C346-C603 WeakPolarHBondContact SG-CB 3.48Å; C346-C603 CovalentContact SG-SG 2.05Å; C346-C603 PolarHBondContact SG-SG 2.85Å; L599-C603 VanDerWaalsContact O-CB 3.25Å; L599-C603 WeakPolarHBondContact O-CB 3.36Å; L599-C603 PolarHBondContact O-N 3.15Å; W600-C603 PolarHBondContact O-N 2.84Å; V601-C603 VanDerWaalsContact C-N 3.35Å; V601-C603 PolarHBondContact O-N 3.14Å
604	A	90	Very high	93.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.143	C	C	.	.			trans	-66.4	136.8	179.9	0	0	0	0	0	110.4	A342 R487 W600 D606 T607	A342-A604 HydrophobicContact CB-CB 4.33Å; R487-A604 PolarHBondContact NH1-O 2.9Å; R487-A604 PolarHBondContact NH2-O 3.11Å; W600-A604 HydrophobicContact CD2-CB 4.23Å; W600-A604 HydrophobicContact CZ2-CB 4.3Å; W600-A604 WeakPolarHBondContact O-CB 3.33Å; W600-A604 PolarHBondContact O-N 2.77Å; A604-D606 VanDerWaalsContact C-N 3.26Å; A604-D606 PolarHBondContact O-N 3.13Å; A604-T607 HydrophobicContact CB-CG2 4.08Å
605	P	86.3	Confident	93.1	Very high	81 Å²	81	27.5 Å²	27.5	53%	0.526	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.4	-177.1	29.6	-35.2	0	0	0	112.9
606	D	86.1	Confident	92.8	Very high	112 Å²	112	28.7 Å²	28.7	60%	0.599	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	17.1	-170.5	56.5	-34.1	0	0	0	113.5	A604	A604-D606 VanDerWaalsContact C-N 3.26Å; A604-D606 PolarHBondContact O-N 3.13Å
607	T	91.6	Very high	92.7	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.117	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-71.6	138.4	171.3	53.8	0	0	0	0	111.4	R487 W600 V601 A604 Y613	R487-T607 VanDerWaalsContact CZ-OG1 3.28Å; R487-T607 PolarHBondContact NH1-OG1 2.69Å; R487-T607 PolarHBondContact NH2-OG1 3.36Å; W600-T607 HydrophobicContact CZ3-CG2 4.33Å; V601-T607 HydrophobicContact CG1-CG2 4.35Å; A604-T607 HydrophobicContact CB-CG2 4.08Å; T607-Y613 WeakPolarHBondContact CA-OH 3.36Å
608	I	95.3	Very high	92.8	Very high	96 Å²	96	34.8 Å²	34.8	49%	0.492	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-91.9	116.6	178.1	-55.2	174.7	0	0	0	106.9	C556 E611 Y613 V618	C556-I608 PolarHBondContact SG-O 3.44Å; C556-I608 VanDerWaalsContact SG-O 3.39Å; I608-E611 HydrophobicContact CB-CB 4.38Å; I608-E611 HydrophobicContact CB-CG 3.77Å; I608-E611 HydrophobicContact CG2-CG 3.62Å; I608-E611 WeakPolarHBondContact O-CB 3.21Å; I608-E611 PolarHBondContact O-N 2.81Å; I608-Y613 PolarHBondContact N-OH 2.94Å; I608-V618 HydrophobicContact CD1-CG2 4.33Å
609	T	96.2	Very high	92.8	Very high	60 Å²	60	36.2 Å²	36.2	37%	0.368	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	139.8	177.3	-166	0	0	0	0	110.7	S554 C555 E611	S554-T609 WeakPolarHBondContact CA-OG1 3.41Å; C555-T609 PolarHBondContact N-OG1 2.74Å; C555-T609 PolarHBondContact O-OG1 2.69Å; T609-E611 VanDerWaalsContact C-N 3.3Å; T609-E611 PolarHBondContact O-N 3.16Å
610	G	96.5	Very high	92.9	Very high	6 Å²	6	44.9 Å²	44.9	6%	0.062	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-7.6	-178.8	0	0	0	0	0	115.7	R541 S544 C555	R541-G610 WeakPolarHBondContact CB-O 3.49Å; S544-G610 VanDerWaalsContact CB-CA 3.47Å; S544-G610 WeakPolarHBondContact OG-CA 3.43Å; S544-G610 PolarHBondContact OG-N 3.04Å; C555-G610 PolarHBondContact O-N 2.77Å
611	E	97.7	Very high	93.1	Very high	72 Å²	72	44.5 Å²	44.5	34%	0.336	23%	0.23	S	C	.	.			trans	-86.3	158.3	-179.7	-66.6	-60	157.9	0	0	113.1	S557 I608 T609 Y613 V618	S557-E611 PolarHBondContact N-O 3.04Å; S557-E611 VanDerWaalsContact N-O 3.17Å; I608-E611 HydrophobicContact CB-CB 4.38Å; I608-E611 HydrophobicContact CB-CG 3.77Å; I608-E611 HydrophobicContact CG2-CG 3.62Å; I608-E611 WeakPolarHBondContact O-CB 3.21Å; I608-E611 PolarHBondContact O-N 2.81Å; T609-E611 VanDerWaalsContact C-N 3.3Å; T609-E611 PolarHBondContact O-N 3.16Å; E611-Y613 HydrophobicContact CB-CD2 4.44Å; E611-Y613 HydrophobicContact CB-CE2 3.8Å; E611-V618 HydrophobicContact CB-CG1 4.06Å; E611-V618 HydrophobicContact CB-CG2 4.05Å; E611-V618 HydrophobicContact CG-CG1 3.97Å; E611-V618 HydrophobicContact CG-CG2 4.16Å; E611-V618 VanDerWaalsContact OE2-CG1 3.22Å; E611-V618 WeakPolarHBondContact OE2-CG1 3.28Å
612	Y	98.1	Very high	93.1	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.9	173.8	174.1	-109.3	0	0	0	110.3	S493 V494 L496 A537 S557 H559 E614 V618 T619 L621	S493-Y612 PolarHBondContact O-OH 3.04Å; S493-Y612 VanDerWaalsContact O-OH 3.12Å; V494-Y612 PolarHBondContact N-OH 3.07Å; L496-Y612 HydrophobicContact CD2-CD1 4.38Å; L496-Y612 HydrophobicContact CD2-CD2 4.2Å; L496-Y612 HydrophobicContact CD2-CE1 3.78Å; L496-Y612 HydrophobicContact CD2-CE2 3.6Å; L496-Y612 WeakPolarHBondContact CD2-OH 3.41Å; L496-Y612 HydrophobicContact CG-CE1 4.49Å; A537-Y612 HydrophobicContact CB-CD2 4.32Å; S557-Y612 CarbonylContact O-C 3.56Å; S557-Y612 WeakPolarHBondContact O-CA 3.48Å; S557-Y612 WeakPolarHBondContact OG-CD2 3.38Å; H559-Y612 WeakPolarHBondContact CB-OH 3.31Å; Y612-E614 HydrophobicContact CD1-CG 4.32Å; Y612-E614 HydrophobicContact CE1-CG 3.52Å; Y612-E614 VanDerWaalsContact CE1-OE1 3.26Å; Y612-E614 WeakPolarHBondContact CE1-OE1 3.47Å; Y612-V618 WeakPolarHBondContact O-CA 3.42Å; Y612-T619 HydrophobicContact CD1-CG2 4.39Å; Y612-T619 HydrophobicContact CE1-CG2 4.47Å; Y612-T619 PolarHBondContact O-N 3.31Å; Y612-L621 HydrophobicContact CD1-CD2 3.89Å; Y612-L621 HydrophobicContact CD2-CD2 4.2Å; Y612-L621 HydrophobicContact CG-CD2 3.66Å; Y612-L621 HydrophobicContact CG-CG 4.37Å
613	Y	96.1	Very high	93.1	Very high	8 Å²	8	55.8 Å²	55.8	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.8	-173.3	-73.4	-95.4	0	0	0	113.6	C556 S557 L558 H559 W600 V601 T607 I608 E611 R617 V618	C556-Y613 HydrophobicContact CB-CD2 4.43Å; C556-Y613 HydrophobicContact CB-CE2 4.41Å; S557-Y613 PolarHBondContact O-N 2.8Å; L558-Y613 CarbonylContact C-O 3.58Å; L558-Y613 WeakPolarHBondContact CA-O 3.34Å; L558-Y613 VanDerWaalsContact CB-O 3.32Å; L558-Y613 WeakPolarHBondContact CB-O 3.3Å; H559-Y613 PolarHBondContact N-O 3.41Å; W600-Y613 HydrophobicContact CH2-CE1 4.26Å; W600-Y613 AromaticContact CZ3-CD1 3.83Å; W600-Y613 HydrophobicContact CZ3-CD1 3.83Å; W600-Y613 AromaticContact CZ3-CE1 3.91Å; W600-Y613 HydrophobicContact CZ3-CE1 3.91Å; V601-Y613 HydrophobicContact CG1-CD2 4.19Å; V601-Y613 HydrophobicContact CG2-CD1 4.47Å; V601-Y613 HydrophobicContact CG2-CD2 4.39Å; V601-Y613 HydrophobicContact CG2-CG 3.99Å; T607-Y613 WeakPolarHBondContact CA-OH 3.36Å; I608-Y613 PolarHBondContact N-OH 2.94Å; E611-Y613 HydrophobicContact CB-CD2 4.44Å; E611-Y613 HydrophobicContact CB-CE2 3.8Å; Y613-R617 CarbonylContact C-O 3.55Å; Y613-R617 VanDerWaalsContact CA-O 3.23Å; Y613-R617 WeakPolarHBondContact CA-O 3.44Å; Y613-V618 HydrophobicContact CD1-CG2 4.39Å; Y613-V618 HydrophobicContact CE1-CG2 3.69Å; Y613-V618 HydrophobicContact CE2-CG2 4.43Å
614	E	92.1	Very high	93.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.2	167	-59.8	175.9	175.2	0	0	108.4	H497 H559 Y612 S616 R617 T619	H497-E614 IonicContact CD2-OE1 3.77Å; H497-E614 IonicContact NE2-OE1 2.93Å; H497-E614 PolarHBondContact NE2-OE1 3.13Å; H559-E614 HydrophobicContact CB-CG 4.11Å; Y612-E614 HydrophobicContact CD1-CG 4.32Å; Y612-E614 HydrophobicContact CE1-CG 3.52Å; Y612-E614 VanDerWaalsContact CE1-OE1 3.26Å; Y612-E614 WeakPolarHBondContact CE1-OE1 3.47Å; E614-S616 VanDerWaalsContact C-N 3.26Å; E614-S616 PolarHBondContact O-N 3.44Å; E614-R617 PolarHBondContact N-O 3.12Å; E614-R617 PolarHBondContact O-N 3.46Å; E614-T619 HydrophobicContact CG-CG2 4.31Å; E614-T619 PolarHBondContact OE2-OG1 3.14Å
615	N	87.7	Confident	93.4	Very high	14 Å²	14	62.6 Å²	62.6	8%	0.075	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.7	-179.4	-60.5	-59.1	0	0	0	113.3	Y333 R589 R617	Y333-N615 HydrophobicContact CD2-CB 4.03Å; Y333-N615 HydrophobicContact CG-CB 3.98Å; R589-N615 PolarHBondContact NH1-OD1 2.81Å; R589-N615 PolarHBondContact NH2-OD1 2.9Å; N615-R617 PolarHBondContact O-N 3.44Å
616	S	87	Confident	93.7	Very high	25 Å²	25	66.2 Å²	66.2	18%	0.175	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	23.6	-177	-59.4	0	0	0	0	115.4	W600 E614	W600-S616 VanDerWaalsContact CE3-OG 3.3Å; W600-S616 WeakPolarHBondContact CH2-O 3.48Å; E614-S616 VanDerWaalsContact C-N 3.26Å; E614-S616 PolarHBondContact O-N 3.44Å
617	R	90.3	Very high	94.2	Very high	127 Å²	127	63.1 Å²	63.1	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.4	176.6	-65	179.4	175.3	-156.1	-5.1	110.8	Y333 Y613 E614 N615 T619	Y333-R617 VanDerWaalsContact CE1-CZ 3.42Å; Y333-R617 PolarHBondContact OH-NH1 3.24Å; Y613-R617 CarbonylContact C-O 3.55Å; Y613-R617 VanDerWaalsContact CA-O 3.23Å; Y613-R617 WeakPolarHBondContact CA-O 3.44Å; E614-R617 PolarHBondContact N-O 3.12Å; E614-R617 PolarHBondContact O-N 3.46Å; N615-R617 PolarHBondContact O-N 3.44Å; R617-T619 PolarHBondContact O-N 2.95Å
618	V	94.8	Very high	94.4	Very high	68 Å²	68	62.2 Å²	62.2	41%	0.412	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.2	171.2	175.5	0	0	0	0	108.8	I608 E611 Y612 Y613	I608-V618 HydrophobicContact CD1-CG2 4.33Å; E611-V618 HydrophobicContact CB-CG1 4.06Å; E611-V618 HydrophobicContact CB-CG2 4.05Å; E611-V618 HydrophobicContact CG-CG1 3.97Å; E611-V618 HydrophobicContact CG-CG2 4.16Å; E611-V618 VanDerWaalsContact OE2-CG1 3.22Å; E611-V618 WeakPolarHBondContact OE2-CG1 3.28Å; Y612-V618 WeakPolarHBondContact O-CA 3.42Å; Y613-V618 HydrophobicContact CD1-CG2 4.39Å; Y613-V618 HydrophobicContact CE1-CG2 3.69Å; Y613-V618 HydrophobicContact CE2-CG2 4.43Å
619	T	95	Very high	94.4	Very high	29 Å²	29	60.8 Å²	60.8	18%	0.178	30%	0.302	C	S	.	.			trans	-118.5	135.6	175.8	-65.1	0	0	0	0	109.3	Y612 E614 R617 L621	Y612-T619 HydrophobicContact CD1-CG2 4.39Å; Y612-T619 HydrophobicContact CE1-CG2 4.47Å; Y612-T619 PolarHBondContact O-N 3.31Å; E614-T619 HydrophobicContact CG-CG2 4.31Å; E614-T619 PolarHBondContact OE2-OG1 3.14Å; R617-T619 PolarHBondContact O-N 2.95Å; T619-L621 PolarHBondContact O-N 2.68Å
620	K	96.1	Very high	94.3	Very high	182 Å²	182	60.3 Å²	60.3	79%	0.791	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-65.4	131.6	178.2	-69.1	-176	179.2	179.3	0	110.7	H497	H497-K620 PolarHBondContact CE1-O 2.73Å
621	L	97	Very high	94.3	Very high	24 Å²	24	60.5 Å²	60.5	13%	0.126	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-69.4	150.1	167.4	-68.7	173.2	0	0	0	110.8	L496 A537 L538 Y612 T619	L496-L621 HydrophobicContact CD1-CD2 4.03Å; L496-L621 HydrophobicContact CD2-CD2 3.86Å; A537-L621 HydrophobicContact CB-CD1 4.32Å; A537-L621 HydrophobicContact CB-CD2 3.72Å; L538-L621 HydrophobicContact CD2-CD1 4.06Å; Y612-L621 HydrophobicContact CD1-CD2 3.89Å; Y612-L621 HydrophobicContact CD2-CD2 4.2Å; Y612-L621 HydrophobicContact CG-CD2 3.66Å; Y612-L621 HydrophobicContact CG-CG 4.37Å; T619-L621 PolarHBondContact O-N 2.68Å
622	P	95.6	Very high	94.3	Very high	29 Å²	29	57.1 Å²	57.1	19%	0.188	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-50	142.8	167.3	-26.8	33.8	0	0	0	111.4	L496 L534	L496-P622 HydrophobicContact CD1-CG 3.57Å; L534-P622 HydrophobicContact CD1-CB 4.21Å; L534-P622 HydrophobicContact CD1-CG 3.91Å; L534-P622 HydrophobicContact CD2-CB 4.19Å; L534-P622 HydrophobicContact CD2-CG 4.38Å
623	K	94.4	Very high	94	Very high	210 Å²	210	59.1 Å²	59.1	91%	0.913	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-70.1	137.2	170.1	-68.1	-175.4	177.5	-176.2	0	108.6
624	V	94.9	Very high	93.9	Very high	39 Å²	39	65.1 Å²	65.1	24%	0.236	33%	0.329	C	S	.	.			trans	-127.6	159.1	173.9	-65.9	0	0	0	0	109.1	I501 L534 L538 V628 E629	I501-V624 HydrophobicContact CG2-CG1 4.16Å; L534-V624 HydrophobicContact CD2-CG1 3.81Å; L538-V624 HydrophobicContact CD1-CB 4.49Å; L538-V624 HydrophobicContact CD1-CG1 3.9Å; L538-V624 HydrophobicContact CD1-CG2 3.88Å; L538-V624 HydrophobicContact CD2-CG2 4.23Å; V624-V628 HydrophobicContact CB-CB 3.99Å; V624-V628 HydrophobicContact CB-CG1 4.09Å; V624-V628 HydrophobicContact CB-CG2 4.26Å; V624-V628 HydrophobicContact CG1-CG1 4.34Å; V624-V628 HydrophobicContact CG2-CB 4.1Å; V624-V628 HydrophobicContact CG2-CG1 4.11Å; V624-E629 HydrophobicContact CG2-CG 4.13Å
625	D	92.9	Very high	94	Very high	105 Å²	105	66 Å²	66	56%	0.561	34%	0.336	S	S	*	.			trans	-64.7	151.2	171.7	-171.5	-95	0	0	0	110.9	S627 V628	D625-S627 PolarHBondContact O-N 2.95Å; D625-S627 WeakPolarHBondContact OD1-CB 3.45Å; D625-S627 PolarHBondContact OD1-N 3.48Å; D625-S627 PolarHBondContact OD1-OG 2.91Å; D625-V628 WeakPolarHBondContact O-CB 3.32Å; D625-V628 PolarHBondContact O-N 3.42Å
626	E	93.3	Very high	94.3	Very high	156 Å²	156	65.4 Å²	65.4	73%	0.729	33%	0.333	S	S	*	.	H	α-helix	trans	-59.9	-30.9	179	-168.6	171.6	-171.1	0	0	111.8	V628 E629 S630	E626-V628 PolarHBondContact O-N 3.06Å; E626-E629 PolarHBondContact O-N 2.77Å; E626-E629 VanDerWaalsContact O-N 3.11Å; E626-S630 PolarHBondContact O-N 3.26Å; E626-S630 PolarHBondContact O-OG 2.82Å
627	S	95.1	Very high	94.5	Very high	47 Å²	47	67.9 Å²	67.9	33%	0.329	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-29.4	173.7	63.9	0	0	0	0	113.4	D625 A631	D625-S627 PolarHBondContact O-N 2.95Å; D625-S627 WeakPolarHBondContact OD1-CB 3.45Å; D625-S627 PolarHBondContact OD1-N 3.48Å; D625-S627 PolarHBondContact OD1-OG 2.91Å; S627-A631 VanDerWaalsContact O-CB 3.3Å; S627-A631 WeakPolarHBondContact O-CB 2.85Å; S627-A631 PolarHBondContact O-N 2.73Å
628	V	96.8	Very high	94.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-71.6	-43	174.9	175.5	0	0	0	0	110.6	I501 F506 L538 V624 D625 E626 S630 A631 I632	I501-V628 HydrophobicContact CG2-CG1 4.06Å; I501-V628 HydrophobicContact CG2-CG2 4.47Å; F506-V628 HydrophobicContact CE2-CG1 4.06Å; F506-V628 HydrophobicContact CZ-CG1 4.27Å; L538-V628 HydrophobicContact CD1-CG1 4.16Å; V624-V628 HydrophobicContact CB-CB 3.99Å; V624-V628 HydrophobicContact CB-CG1 4.09Å; V624-V628 HydrophobicContact CB-CG2 4.26Å; V624-V628 HydrophobicContact CG1-CG1 4.34Å; V624-V628 HydrophobicContact CG2-CB 4.1Å; V624-V628 HydrophobicContact CG2-CG1 4.11Å; D625-V628 WeakPolarHBondContact O-CB 3.32Å; D625-V628 PolarHBondContact O-N 3.42Å; E626-V628 PolarHBondContact O-N 3.06Å; V628-S630 VanDerWaalsContact C-N 3.32Å; V628-S630 PolarHBondContact O-N 2.89Å; V628-A631 PolarHBondContact O-N 3.49Å; V628-I632 HydrophobicContact CG1-CD1 4.16Å; V628-I632 VanDerWaalsContact O-CG1 3.31Å; V628-I632 WeakPolarHBondContact O-CG1 3.16Å; V628-I632 PolarHBondContact O-N 3.22Å
629	E	94	Very high	94.3	Very high	66 Å²	66	60.7 Å²	60.7	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-40	176.6	-62	-156.3	161.9	0	0	111.1	R541 V624 E626 I632 S633	R541-E629 IonicContact CZ-OE1 3.5Å; R541-E629 IonicContact NH2-OE1 2.68Å; R541-E629 PolarHBondContact NH2-OE1 3.46Å; V624-E629 HydrophobicContact CG2-CG 4.13Å; E626-E629 PolarHBondContact O-N 2.77Å; E626-E629 VanDerWaalsContact O-N 3.11Å; E629-I632 PolarHBondContact O-N 2.74Å; E629-S633 PolarHBondContact O-N 3.12Å; E629-S633 PolarHBondContact O-OG 3.12Å
630	S	95	Very high	93.9	Very high	51 Å²	51	59.8 Å²	59.8	36%	0.357	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-45.4	172.7	-63.6	0	0	0	0	111.9	E626 V628 I632 S633 E634	E626-S630 PolarHBondContact O-N 3.26Å; E626-S630 PolarHBondContact O-OG 2.82Å; V628-S630 VanDerWaalsContact C-N 3.32Å; V628-S630 PolarHBondContact O-N 2.89Å; S630-I632 VanDerWaalsContact C-N 3.34Å; S630-I632 PolarHBondContact O-N 3.39Å; S630-S633 WeakPolarHBondContact O-CA 3.31Å; S630-S633 VanDerWaalsContact O-CB 3.24Å; S630-S633 WeakPolarHBondContact O-CB 3.33Å; S630-S633 PolarHBondContact O-N 3.41Å; S630-E634 WeakPolarHBondContact O-CG 3.16Å; S630-E634 PolarHBondContact O-N 3.44Å
631	A	96.1	Very high	93.2	Very high	10 Å²	10	54 Å²	54	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-37.6	178.3	0	0	0	0	0	112.9	A503 F506 S627 V628 S633 C635	A503-A631 HydrophobicContact CB-CB 4.18Å; F506-A631 HydrophobicContact CB-CB 4.17Å; F506-A631 HydrophobicContact CD1-CB 4.34Å; F506-A631 HydrophobicContact CD2-CB 3.65Å; F506-A631 HydrophobicContact CE2-CB 4.12Å; F506-A631 HydrophobicContact CG-CB 3.8Å; S627-A631 VanDerWaalsContact O-CB 3.3Å; S627-A631 WeakPolarHBondContact O-CB 2.85Å; S627-A631 PolarHBondContact O-N 2.73Å; V628-A631 PolarHBondContact O-N 3.49Å; A631-S633 VanDerWaalsContact C-N 3.34Å; A631-C635 WeakPolarHBondContact O-CB 3.17Å; A631-C635 PolarHBondContact O-N 3.17Å
632	I	97	Very high	92.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-42.4	172.8	-65.3	168.3	0	0	0	110.2	F506 L538 Y539 V628 E629 S630 C635 A636	F506-I632 HydrophobicContact CE1-CB 4.49Å; F506-I632 HydrophobicContact CE1-CG1 3.52Å; F506-I632 HydrophobicContact CE2-CG1 4.48Å; F506-I632 HydrophobicContact CZ-CD1 4.15Å; F506-I632 HydrophobicContact CZ-CG1 3.43Å; F506-I632 VanDerWaalsContact CZ-CG1 3.43Å; L538-I632 HydrophobicContact CB-CD1 3.38Å; L538-I632 HydrophobicContact CD1-CD1 3.81Å; L538-I632 HydrophobicContact CG-CD1 4.25Å; Y539-I632 HydrophobicContact CD2-CG2 4.15Å; V628-I632 HydrophobicContact CG1-CD1 4.16Å; V628-I632 VanDerWaalsContact O-CG1 3.31Å; V628-I632 WeakPolarHBondContact O-CG1 3.16Å; V628-I632 PolarHBondContact O-N 3.22Å; E629-I632 PolarHBondContact O-N 2.74Å; S630-I632 VanDerWaalsContact C-N 3.34Å; S630-I632 PolarHBondContact O-N 3.39Å; I632-C635 PolarHBondContact O-N 2.75Å; I632-A636 VanDerWaalsContact O-CB 3.31Å; I632-A636 WeakPolarHBondContact O-CB 3.43Å; I632-A636 PolarHBondContact O-N 3.41Å
633	S	93.6	Very high	91.5	Very high	43 Å²	43	57.3 Å²	57.3	30%	0.301	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-51	178.1	-53.6	0	0	0	0	112.4	Q542 E629 S630 A631 A636 F637	Q542-S633 VanDerWaalsContact CD-OG 3.3Å; Q542-S633 PolarHBondContact NE2-OG 3.25Å; Q542-S633 PolarHBondContact OE1-OG 2.92Å; E629-S633 PolarHBondContact O-N 3.12Å; E629-S633 PolarHBondContact O-OG 3.12Å; S630-S633 WeakPolarHBondContact O-CA 3.31Å; S630-S633 VanDerWaalsContact O-CB 3.24Å; S630-S633 WeakPolarHBondContact O-CB 3.33Å; S630-S633 PolarHBondContact O-N 3.41Å; A631-S633 VanDerWaalsContact C-N 3.34Å; S633-A636 PolarHBondContact O-N 3.45Å; S633-F637 WeakPolarHBondContact O-CB 3.32Å; S633-F637 PolarHBondContact O-N 3.44Å
634	E	93.6	Very high	90.2	Very high	134 Å²	134	57.4 Å²	57.4	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-62.3	-44.8	179	-71.7	172.9	-167.2	0	0	110.9	S630 F637 G638	S630-E634 WeakPolarHBondContact O-CG 3.16Å; S630-E634 PolarHBondContact O-N 3.44Å; E634-F637 PolarHBondContact O-N 3.24Å; E634-G638 PolarHBondContact O-N 3.01Å
635	C	94	Very high	90	Very high	27 Å²	27	58.3 Å²	58.3	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-49.1	176.4	-177.2	0	0	0	0	111.3	F506 A631 I632 F637 G638 L639	F506-C635 HydrophobicContact CD1-CB 4.46Å; A631-C635 WeakPolarHBondContact O-CB 3.17Å; A631-C635 PolarHBondContact O-N 3.17Å; I632-C635 PolarHBondContact O-N 2.75Å; C635-F637 PolarHBondContact O-N 3.37Å; C635-G638 PolarHBondContact O-N 3.33Å; C635-L639 WeakPolarHBondContact O-CB 3.36Å; C635-L639 WeakPolarHBondContact O-CG 3.48Å; C635-L639 PolarHBondContact O-N 3.1Å
636	A	94.5	Very high	89.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-42.5	178.3	0	0	0	0	0	112.2	V466 Y539 I632 S633 L639 A640	V466-A636 HydrophobicContact CG1-CB 4.02Å; Y539-A636 HydrophobicContact CD2-CB 4.16Å; Y539-A636 HydrophobicContact CE2-CB 3.76Å; I632-A636 VanDerWaalsContact O-CB 3.31Å; I632-A636 WeakPolarHBondContact O-CB 3.43Å; I632-A636 PolarHBondContact O-N 3.41Å; S633-A636 PolarHBondContact O-N 3.45Å; A636-L639 PolarHBondContact O-N 3.24Å; A636-A640 WeakPolarHBondContact O-CB 3.36Å; A636-A640 PolarHBondContact O-N 3.24Å
637	F	89.7	Confident	89.7	Confident	77 Å²	77	50.3 Å²	50.3	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-47.2	178.2	-170.6	-94.1	0	0	0	112	Q63 S633 E634 C635 L639 A640 T641	Q63-F637 HydrophobicContact CG-CZ 4.29Å; S633-F637 WeakPolarHBondContact O-CB 3.32Å; S633-F637 PolarHBondContact O-N 3.44Å; E634-F637 PolarHBondContact O-N 3.24Å; C635-F637 PolarHBondContact O-N 3.37Å; F637-L639 VanDerWaalsContact C-N 3.26Å; F637-L639 PolarHBondContact O-N 3.25Å; F637-A640 WeakPolarHBondContact O-CB 3.47Å; F637-A640 PolarHBondContact O-N 3.43Å; F637-A640 VanDerWaalsContact O-N 3.16Å; F637-T641 HydrophobicContact CD1-CG2 4.48Å; F637-T641 HydrophobicContact CE1-CG2 4.17Å; F637-T641 PolarHBondContact O-N 3.3Å; F637-T641 VanDerWaalsContact O-N 3.13Å; F637-T641 PolarHBondContact O-OG1 3.03Å
638	G	90.3	Very high	89.3	Confident	37 Å²	37	50.5 Å²	50.5	38%	0.381	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-31.5	177.2	0	0	0	0	0	113.2	E634 C635 T641	E634-G638 PolarHBondContact O-N 3.01Å; C635-G638 PolarHBondContact O-N 3.33Å; G638-T641 PolarHBondContact O-OG1 2.92Å
639	L	91.5	Very high	88.9	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-75.3	-36.9	173.2	-69.4	176.3	0	0	0	112.4	W451 L463 V466 M467 C635 A636 F637 T641 L642 F643	W451-L639 HydrophobicContact CZ2-CD2 3.7Å; L463-L639 HydrophobicContact CD2-CD1 4.12Å; V466-L639 HydrophobicContact CB-CD1 4Å; V466-L639 HydrophobicContact CG1-CB 4.47Å; V466-L639 HydrophobicContact CG1-CD1 3.65Å; M467-L639 HydrophobicContact CE-CD2 3.39Å; M467-L639 HydrophobicContact CG-CB 4.29Å; M467-L639 HydrophobicContact CG-CD1 3.99Å; M467-L639 HydrophobicContact CG-CD2 3.81Å; M467-L639 HydrophobicContact CG-CG 4.24Å; M467-L639 HydrophobicContact SD-CD2 4.45Å; C635-L639 WeakPolarHBondContact O-CB 3.36Å; C635-L639 WeakPolarHBondContact O-CG 3.48Å; C635-L639 PolarHBondContact O-N 3.1Å; A636-L639 PolarHBondContact O-N 3.24Å; F637-L639 VanDerWaalsContact C-N 3.26Å; F637-L639 PolarHBondContact O-N 3.25Å; L639-T641 VanDerWaalsContact C-N 3.29Å; L639-T641 PolarHBondContact O-N 3.09Å; L639-L642 HydrophobicContact CD2-CD1 3.7Å; L639-L642 WeakPolarHBondContact O-CB 3.48Å; L639-L642 PolarHBondContact O-N 3.39Å; L639-F643 WeakPolarHBondContact O-CD2 3.33Å
640	A	86.5	Confident	88.5	Confident	10 Å²	10	52.8 Å²	52.8	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-35.3	177.8	0	0	0	0	0	112.4	E470 A636 F637 L642 F643	E470-A640 HydrophobicContact CB-CB 3.88Å; E470-A640 HydrophobicContact CG-CB 3.97Å; A636-A640 WeakPolarHBondContact O-CB 3.36Å; A636-A640 PolarHBondContact O-N 3.24Å; F637-A640 WeakPolarHBondContact O-CB 3.47Å; F637-A640 PolarHBondContact O-N 3.43Å; F637-A640 VanDerWaalsContact O-N 3.16Å; A640-L642 PolarHBondContact O-N 2.75Å; A640-F643 PolarHBondContact O-N 2.7Å
641	T	81.6	Confident	88.1	Confident	62 Å²	62	52.9 Å²	52.9	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.4	177.6	45.5	0	0	0	0	113.7	F637 G638 L639 F643	F637-T641 HydrophobicContact CD1-CG2 4.48Å; F637-T641 HydrophobicContact CE1-CG2 4.17Å; F637-T641 PolarHBondContact O-N 3.3Å; F637-T641 VanDerWaalsContact O-N 3.13Å; F637-T641 PolarHBondContact O-OG1 3.03Å; G638-T641 PolarHBondContact O-OG1 2.92Å; L639-T641 VanDerWaalsContact C-N 3.29Å; L639-T641 PolarHBondContact O-N 3.09Å; T641-F643 VanDerWaalsContact C-N 3.31Å
642	L	79.7	Confident	87.4	Confident	69 Å²	69	56.2 Å²	56.2	36%	0.361	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.7	177.6	-63	162.3	0	0	0	113.9	W451 L639 A640	W451-L642 HydrophobicContact CH2-CD1 3.12Å; W451-L642 HydrophobicContact CH2-CD2 3.72Å; W451-L642 HydrophobicContact CH2-CG 4.04Å; W451-L642 HydrophobicContact CZ2-CD1 3.51Å; W451-L642 HydrophobicContact CZ3-CD1 3.98Å; W451-L642 HydrophobicContact CZ3-CD2 4.48Å; L639-L642 HydrophobicContact CD2-CD1 3.7Å; L639-L642 WeakPolarHBondContact O-CB 3.48Å; L639-L642 PolarHBondContact O-N 3.39Å; A640-L642 PolarHBondContact O-N 2.75Å
643	F	77.6	Confident	86.6	Confident	53 Å²	53	60.8 Å²	60.8	23%	0.232	31%	0.31	C	S	.	.			trans	-111.8	2.2	-174.5	-60.9	-78.3	0	0	0	113.2	I418 K419 V422 M467 A471 L639 A640 T641	I418-F643 HydrophobicContact CG2-CZ 4.04Å; K419-F643 HydrophobicContact CG-CE1 3.97Å; V422-F643 HydrophobicContact CB-CD1 4.37Å; V422-F643 HydrophobicContact CB-CE1 4.31Å; V422-F643 HydrophobicContact CG1-CD1 4.04Å; V422-F643 HydrophobicContact CG1-CE1 4.46Å; V422-F643 HydrophobicContact CG2-CD1 4.34Å; V422-F643 HydrophobicContact CG2-CE1 4.01Å; M467-F643 HydrophobicContact CB-CE2 3.72Å; M467-F643 HydrophobicContact CB-CZ 3.96Å; M467-F643 HydrophobicContact CG-CE2 4Å; M467-F643 HydrophobicContact CG-CZ 4.32Å; A471-F643 HydrophobicContact CB-CB 3.84Å; A471-F643 HydrophobicContact CB-CD1 3.94Å; A471-F643 HydrophobicContact CB-CD2 3.78Å; A471-F643 HydrophobicContact CB-CE1 4.43Å; A471-F643 HydrophobicContact CB-CE2 4.29Å; A471-F643 HydrophobicContact CB-CG 3.58Å; L639-F643 WeakPolarHBondContact O-CD2 3.33Å; A640-F643 PolarHBondContact O-N 2.7Å; T641-F643 VanDerWaalsContact C-N 3.31Å
644	R	67.2	Low	86	Confident	211 Å²	211	62.5 Å²	62.5	80%	0.796	31%	0.311	S	S	*	.			trans	-90.6	0	166.3	-66	178.2	-176.8	-143.3	12.9	108.2	Q63	Q63-R644 VanDerWaalsContact NE2-CZ 3.26Å

Retrieved 644 of 644 residues in 1143.2 ms (Link to these results)

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