A0A096LQR8_POEFO Loading...

THAP-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LQR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 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	48.6	Very low	73.2	Confident	229 Å²	229	80 Å²	80	100%	1.128	42%	0.421	S	S	*	.				0	140.5	0	-76.1	175.4	111.7	0	0	109.5	Q3	M1-Q3 PolarHBondContact O-N 3.33Å
2	P	58.1	Low	73.8	Confident	83 Å²	83	75.9 Å²	75.9	54%	0.539	40%	0.4	S	S	.	.			trans	-62.3	127.8	175.9	-14.3	27.9	0	0	0	110	F4 L13	P2-F4 HydrophobicContact CB-CE2 3.84Å; P2-F4 HydrophobicContact CB-CZ 3.96Å; P2-F4 HydrophobicContact CG-CE2 4.44Å; P2-F4 WeakPolarHBondContact O-CD2 3.47Å; P2-L13 HydrophobicContact CB-CD1 3.35Å; P2-L13 HydrophobicContact CB-CD2 4.06Å; P2-L13 HydrophobicContact CB-CG 4.21Å
3	Q	69.6	Low	74.2	Confident	47 Å²	47	73.5 Å²	73.5	22%	0.22	39%	0.387	C	S	.	.			trans	-90.6	109.8	177.1	-68.8	-172.4	-40	0	0	109.6	M1 L13 R14 V54	M1-Q3 PolarHBondContact O-N 3.33Å; Q3-L13 VanDerWaalsContact O-CD1 3.32Å; Q3-L13 WeakPolarHBondContact O-CD1 3.37Å; Q3-R14 HydrophobicContact CB-CB 4.18Å; Q3-R14 PolarHBondContact O-N 3.37Å; Q3-V54 HydrophobicContact CB-CG2 3.99Å
4	F	81.1	Confident	74.3	Confident	126 Å²	126	79.1 Å²	79.1	55%	0.553	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-91	149.4	175.3	-57.5	-89.3	0	0	0	110.7	P2 S6 L13 V54	P2-F4 HydrophobicContact CB-CE2 3.84Å; P2-F4 HydrophobicContact CB-CZ 3.96Å; P2-F4 HydrophobicContact CG-CE2 4.44Å; P2-F4 WeakPolarHBondContact O-CD2 3.47Å; F4-S6 PolarHBondContact O-N 3.29Å; F4-L13 HydrophobicContact CB-CD1 4.49Å; F4-L13 HydrophobicContact CD1-CB 4.22Å; F4-L13 HydrophobicContact CD1-CD1 3.35Å; F4-L13 HydrophobicContact CD1-CG 4.26Å; F4-L13 HydrophobicContact CD2-CD1 4Å; F4-L13 HydrophobicContact CE1-CB 4.34Å; F4-L13 HydrophobicContact CE1-CD1 3.37Å; F4-L13 HydrophobicContact CE1-CD2 4.11Å; F4-L13 HydrophobicContact CE1-CG 4.12Å; F4-L13 HydrophobicContact CE2-CD1 4Å; F4-L13 HydrophobicContact CG-CD1 3.68Å; F4-L13 HydrophobicContact CZ-CD1 3.7Å; F4-L13 HydrophobicContact CZ-CD2 4.49Å; F4-V54 WeakPolarHBondContact O-CG2 3.31Å
5	C	83.8	Confident	74.4	Confident	10 Å²	10	77.8 Å²	77.8	7%	0.068	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-66.3	128.2	170.8	-171.3	0	0	0	0	110.5	A7 C10 N12 F25 C56	C5-A7 PolarHBondContact O-N 3.2Å; C5-C10 HydrophobicContact CB-CB 4.14Å; C5-N12 PolarHBondContact N-O 3.17Å; C5-N12 VanDerWaalsContact N-O 3.12Å; C5-F25 HydrophobicContact CB-CE1 4.2Å; C5-C56 HydrophobicContact CB-CB 4.34Å; C5-C56 PolarHBondContact SG-N 2.94Å
6	S	82.9	Confident	74.2	Confident	19 Å²	19	79.5 Å²	79.5	13%	0.133	41%	0.413	C	S	.	.			trans	-71.8	-4.8	177.9	-59.5	0	0	0	0	114.4	F4 V54	F4-S6 PolarHBondContact O-N 3.29Å; S6-V54 PolarHBondContact N-O 3.06Å; S6-V54 PolarHBondContact OG-O 2.99Å
7	A	81	Confident	74	Confident	4 Å²	4	81.2 Å²	81.2	3%	0.033	42%	0.423	C	S	.	.	S	Bend	trans	-68.2	140.1	-178.1	0	0	0	0	0	113.3	C5 S9 C10 L42 L55 H59 F83	C5-A7 PolarHBondContact O-N 3.2Å; A7-S9 PolarHBondContact O-N 3.27Å; A7-C10 HydrophobicContact CB-CB 3.73Å; A7-C10 PolarHBondContact O-N 3.48Å; A7-C10 VanDerWaalsContact O-N 3.17Å; A7-L42 HydrophobicContact CB-CD2 4.2Å; A7-L55 HydrophobicContact CB-CD2 3.89Å; A7-H59 VanDerWaalsContact CB-CE1 3.43Å; A7-H59 WeakPolarHBondContact CB-CE1 3.44Å; A7-H59 WeakPolarHBondContact CB-NE2 3.49Å; A7-F83 HydrophobicContact CB-CD1 4.15Å; A7-F83 HydrophobicContact CB-CE1 3.82Å
8	Y	72.2	Confident	73.9	Confident	86 Å²	86	77.4 Å²	77.4	34%	0.337	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	129.6	176	-166.2	-89.7	0	0	0	110.2	C10 P86	Y8-C10 VanDerWaalsContact C-N 3.25Å; Y8-C10 PolarHBondContact O-N 3.36Å; Y8-P86 HydrophobicContact CE1-CG 3.77Å
9	S	71.8	Confident	73.7	Confident	81 Å²	81	83.9 Å²	83.9	57%	0.566	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	12.7	-177.2	70.7	0	0	0	0	117.3	A7	A7-S9 PolarHBondContact O-N 3.27Å
10	C	79.6	Confident	73.5	Confident	25 Å²	25	86.1 Å²	86.1	17%	0.169	44%	0.435	C	S	.	.			trans	-92.9	117.7	178	-169.1	0	0	0	0	111.9	C5 A7 Y8 N12 H59	C5-C10 HydrophobicContact CB-CB 4.14Å; A7-C10 HydrophobicContact CB-CB 3.73Å; A7-C10 PolarHBondContact O-N 3.48Å; A7-C10 VanDerWaalsContact O-N 3.17Å; Y8-C10 VanDerWaalsContact C-N 3.25Å; Y8-C10 PolarHBondContact O-N 3.36Å; C10-N12 PolarHBondContact SG-ND2 2.89Å; C10-N12 VanDerWaalsContact SG-ND2 3.36Å; C10-H59 PolarHBondContact SG-NE2 3.32Å; C10-H59 VanDerWaalsContact SG-NE2 3.38Å
11	L	76.9	Confident	73.5	Confident	170 Å²	170	91.3 Å²	91.3	89%	0.89	45%	0.45	S	S	*	.			trans	-92.8	8	-178.8	-61.8	173.5	0	0	0	113.9	L13	L11-L13 PolarHBondContact O-N 2.9Å
12	N	80.6	Confident	74.7	Confident	31 Å²	31	83.1 Å²	83.1	17%	0.166	42%	0.424	C	S	.	.			trans	-71.1	124.3	-177.3	-67	-40.5	0	0	0	111	C5 C10 F25 C56	C5-N12 PolarHBondContact N-O 3.17Å; C5-N12 VanDerWaalsContact N-O 3.12Å; C10-N12 PolarHBondContact SG-ND2 2.89Å; C10-N12 VanDerWaalsContact SG-ND2 3.36Å; N12-F25 HydrophobicContact CB-CE1 4.42Å; N12-F25 HydrophobicContact CB-CZ 4Å; N12-C56 HydrophobicContact CB-CB 4.45Å; N12-C56 PolarHBondContact ND2-SG 3.07Å; N12-C56 VanDerWaalsContact ND2-SG 3.41Å
13	L	79.1	Confident	75.8	Confident	44 Å²	44	79.9 Å²	79.9	23%	0.23	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-112	146.3	174	-178.4	66.6	0	0	0	109.8	P2 Q3 F4 L11 T15 V18 F25	P2-L13 HydrophobicContact CB-CD1 3.35Å; P2-L13 HydrophobicContact CB-CD2 4.06Å; P2-L13 HydrophobicContact CB-CG 4.21Å; Q3-L13 VanDerWaalsContact O-CD1 3.32Å; Q3-L13 WeakPolarHBondContact O-CD1 3.37Å; F4-L13 HydrophobicContact CB-CD1 4.49Å; F4-L13 HydrophobicContact CD1-CB 4.22Å; F4-L13 HydrophobicContact CD1-CD1 3.35Å; F4-L13 HydrophobicContact CD1-CG 4.26Å; F4-L13 HydrophobicContact CD2-CD1 4Å; F4-L13 HydrophobicContact CE1-CB 4.34Å; F4-L13 HydrophobicContact CE1-CD1 3.37Å; F4-L13 HydrophobicContact CE1-CD2 4.11Å; F4-L13 HydrophobicContact CE1-CG 4.12Å; F4-L13 HydrophobicContact CE2-CD1 4Å; F4-L13 HydrophobicContact CG-CD1 3.68Å; F4-L13 HydrophobicContact CZ-CD1 3.7Å; F4-L13 HydrophobicContact CZ-CD2 4.49Å; L11-L13 PolarHBondContact O-N 2.9Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 HydrophobicContact CD2-CG2 3.88Å; L13-T15 HydrophobicContact CG-CG2 4.11Å; L13-T15 PolarHBondContact O-N 3.39Å; L13-V18 WeakPolarHBondContact O-CG2 3.39Å; L13-F25 VanDerWaalsContact C-CZ 3.49Å
14	R	75.2	Confident	76.4	Confident	153 Å²	153	80.2 Å²	80.2	58%	0.577	41%	0.407	S	S	*	.			trans	-72.4	83.9	176.4	-167.6	175.7	-177.8	-176.5	-1	111.6	Q3 F25	Q3-R14 HydrophobicContact CB-CB 4.18Å; Q3-R14 PolarHBondContact O-N 3.37Å; R14-F25 HydrophobicContact CB-CD2 3.97Å; R14-F25 HydrophobicContact CB-CE2 3.91Å; R14-F25 HydrophobicContact CB-CG 4.42Å; R14-F25 HydrophobicContact CB-CZ 4.29Å; R14-F25 HydrophobicContact CG-CD2 3.95Å; R14-F25 HydrophobicContact CG-CE2 4.24Å
15	T	76.3	Confident	76.5	Confident	59 Å²	59	75.6 Å²	75.6	36%	0.362	39%	0.387	S	S	.	.			trans	-118.6	168.8	172.4	59.6	0	0	0	0	111.6	L13 V18 R19	L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 HydrophobicContact CD2-CG2 3.88Å; L13-T15 HydrophobicContact CG-CG2 4.11Å; L13-T15 PolarHBondContact O-N 3.39Å; T15-V18 PolarHBondContact O-N 3.13Å; T15-V18 WeakPolarHBondContact OG1-CG2 3.41Å; T15-R19 PolarHBondContact O-N 3.14Å
16	V	70.4	Confident	76.6	Confident	105 Å²	105	76.2 Å²	76.2	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-60.9	-44.7	179.6	-176.3	0	0	0	0	110.8	V18 R19 D20	V16-V18 VanDerWaalsContact C-N 3.27Å; V16-V18 PolarHBondContact O-N 3.32Å; V16-R19 WeakPolarHBondContact O-CA 3.49Å; V16-R19 VanDerWaalsContact O-CB 3.31Å; V16-R19 WeakPolarHBondContact O-CB 3.32Å; V16-R19 PolarHBondContact O-N 3.36Å; V16-D20 PolarHBondContact O-N 3.46Å
17	D	71.5	Confident	76.7	Confident	108 Å²	108	81.5 Å²	81.5	58%	0.578	41%	0.409	S	S	*	.	H	α-helix	trans	-58.4	-34.9	178.3	-50.2	-34.5	0	0	0	113.8	R19 R21	D17-R19 VanDerWaalsContact C-N 3.34Å; D17-R21 WeakPolarHBondContact O-CG 3.42Å; D17-R21 PolarHBondContact O-N 2.79Å
18	V	71.9	Confident	76.9	Confident	14 Å²	14	81.8 Å²	81.8	9%	0.085	41%	0.41	C	S	.	.	H	α-helix	trans	-75.7	-28.6	179.6	172.5	0	0	0	0	111	L13 T15 V16 R21 I23 F25	L13-V18 WeakPolarHBondContact O-CG2 3.39Å; T15-V18 PolarHBondContact O-N 3.13Å; T15-V18 WeakPolarHBondContact OG1-CG2 3.41Å; V16-V18 VanDerWaalsContact C-N 3.27Å; V16-V18 PolarHBondContact O-N 3.32Å; V18-R21 PolarHBondContact O-N 3.22Å; V18-I23 HydrophobicContact CG1-CB 3.73Å; V18-I23 HydrophobicContact CG1-CD1 4.17Å; V18-I23 HydrophobicContact CG1-CG1 4.45Å; V18-I23 HydrophobicContact CG1-CG2 4.05Å; V18-I23 PolarHBondContact O-N 3.41Å; V18-F25 HydrophobicContact CG1-CE2 3.88Å; V18-F25 HydrophobicContact CG1-CZ 4.26Å
19	R	70	Confident	77.4	Confident	200 Å²	200	78.7 Å²	78.7	76%	0.755	40%	0.4	S	S	*	.	H	α-helix	trans	-71.5	-38.7	173	-170.9	-178.3	179.1	-176.9	-2.6	111.5	T15 V16 D17 R21 G22	T15-R19 PolarHBondContact O-N 3.14Å; V16-R19 WeakPolarHBondContact O-CA 3.49Å; V16-R19 VanDerWaalsContact O-CB 3.31Å; V16-R19 WeakPolarHBondContact O-CB 3.32Å; V16-R19 PolarHBondContact O-N 3.36Å; D17-R19 VanDerWaalsContact C-N 3.34Å; R19-R21 PolarHBondContact O-N 2.87Å; R19-G22 WeakPolarHBondContact O-CA 3.33Å; R19-G22 PolarHBondContact O-N 2.82Å
20	D	69.2	Low	77.8	Confident	128 Å²	128	84.2 Å²	84.2	68%	0.684	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-27	175.9	-66.9	-15.8	0	0	0	111.9	V16 G22	V16-D20 PolarHBondContact O-N 3.46Å; D20-G22 PolarHBondContact O-N 3.12Å
21	R	73.4	Confident	77.9	Confident	196 Å²	196	87.2 Å²	87.2	74%	0.74	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	4.2	168.8	-65.4	174.2	-171.2	-174.2	2.3	114	D17 V18 R19 I23	D17-R21 WeakPolarHBondContact O-CG 3.42Å; D17-R21 PolarHBondContact O-N 2.79Å; V18-R21 PolarHBondContact O-N 3.22Å; R19-R21 PolarHBondContact O-N 2.87Å; R21-I23 PolarHBondContact O-N 3.24Å
22	G	74.1	Confident	78.1	Confident	56 Å²	56	87.7 Å²	87.7	58%	0.577	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	17.3	176.6	0	0	0	0	0	115.3	R19 D20	R19-G22 WeakPolarHBondContact O-CA 3.33Å; R19-G22 PolarHBondContact O-N 2.82Å; D20-G22 PolarHBondContact O-N 3.12Å
23	I	80.6	Confident	78.1	Confident	15 Å²	15	92.6 Å²	92.6	8%	0.077	45%	0.445	C	S	.	.			trans	-92	119.5	-179.3	-57.7	174.1	0	0	0	109.8	V18 R21 F25 C56 K58	V18-I23 HydrophobicContact CG1-CB 3.73Å; V18-I23 HydrophobicContact CG1-CD1 4.17Å; V18-I23 HydrophobicContact CG1-CG1 4.45Å; V18-I23 HydrophobicContact CG1-CG2 4.05Å; V18-I23 PolarHBondContact O-N 3.41Å; R21-I23 PolarHBondContact O-N 3.24Å; I23-F25 HydrophobicContact CG2-CE2 4.44Å; I23-C56 HydrophobicContact CG2-CB 3.73Å; I23-K58 HydrophobicContact CD1-CD 4.21Å
24	T	82.3	Confident	78.2	Confident	54 Å²	54	92.3 Å²	92.3	33%	0.331	44%	0.441	S	S	.	.			trans	-102.4	152.4	177.5	54.1	0	0	0	0	111	H26 C56 S57	T24-H26 PolarHBondContact OG1-NE2 3.39Å; T24-C56 CarbonylContact O-C 3.46Å; T24-C56 WeakPolarHBondContact O-CA 3.46Å; T24-S57 PolarHBondContact N-OG 2.58Å; T24-S57 PolarHBondContact O-N 3.26Å; T24-S57 WeakPolarHBondContact OG1-CB 3.35Å
25	F	84	Confident	78.6	Confident	29 Å²	29	87.1 Å²	87.1	13%	0.127	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.8	179.2	-71.4	-98.4	0	0	0	110.4	C5 N12 L13 R14 V18 I23 V54 C56	C5-F25 HydrophobicContact CB-CE1 4.2Å; N12-F25 HydrophobicContact CB-CE1 4.42Å; N12-F25 HydrophobicContact CB-CZ 4Å; L13-F25 VanDerWaalsContact C-CZ 3.49Å; R14-F25 HydrophobicContact CB-CD2 3.97Å; R14-F25 HydrophobicContact CB-CE2 3.91Å; R14-F25 HydrophobicContact CB-CG 4.42Å; R14-F25 HydrophobicContact CB-CZ 4.29Å; R14-F25 HydrophobicContact CG-CD2 3.95Å; R14-F25 HydrophobicContact CG-CE2 4.24Å; V18-F25 HydrophobicContact CG1-CE2 3.88Å; V18-F25 HydrophobicContact CG1-CZ 4.26Å; I23-F25 HydrophobicContact CG2-CE2 4.44Å; F25-V54 HydrophobicContact CB-CB 4.46Å; F25-V54 HydrophobicContact CD1-CG2 3.97Å; F25-C56 HydrophobicContact CD1-CB 3.96Å; F25-C56 HydrophobicContact CE1-CB 3.76Å; F25-C56 HydrophobicContact CZ-CB 4.14Å
26	H	85.4	Confident	78.9	Confident	23 Å²	23	90.8 Å²	90.8	11%	0.106	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.6	-175.7	-58.5	-82.2	0	0	0	110	T24 V54 L55 F65 L74	T24-H26 PolarHBondContact OG1-NE2 3.39Å; H26-V54 CarbonylContact O-C 3.43Å; H26-V54 VanDerWaalsContact O-CA 3.28Å; H26-V54 WeakPolarHBondContact O-CA 3.34Å; H26-L55 PolarHBondContact N-O 2.97Å; H26-L55 PolarHBondContact O-N 2.91Å; H26-F65 AromaticContact CE1-CE1 3.91Å; H26-F65 AromaticContact NE2-CE1 3.44Å; H26-F65 WeakPolarHBondContact NE2-CE1 3.42Å; H26-L74 HydrophobicContact CB-CD1 3.73Å
27	K	84.7	Confident	79.4	Confident	131 Å²	131	90.1 Å²	90.1	57%	0.57	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	152.5	176.7	-70.7	-174.8	177.8	-169.4	0	110.9	V54	K27-V54 HydrophobicContact CB-CG1 4.39Å; K27-V54 HydrophobicContact CG-CG1 3.67Å
28	F	85.4	Confident	80.1	Confident	9 Å²	9	85.1 Å²	85.1	4%	0.039	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-60.1	138.4	172.7	-84.2	-108.7	0	0	0	110.7	R35 W38 E39 L42 F47 A49 S53 L55	F28-R35 HydrophobicContact CB-CG 4.48Å; F28-R35 HydrophobicContact CD1-CG 4.27Å; F28-W38 HydrophobicContact CD1-CB 3.84Å; F28-W38 AromaticContact CD1-CE3 3.99Å; F28-W38 HydrophobicContact CD1-CE3 3.99Å; F28-W38 HydrophobicContact CE1-CB 3.56Å; F28-W38 HydrophobicContact CE1-CE3 4.1Å; F28-W38 HydrophobicContact CG-CE3 4.21Å; F28-W38 HydrophobicContact CZ-CE3 4.4Å; F28-E39 HydrophobicContact CE1-CG 4.39Å; F28-L42 HydrophobicContact CE1-CD1 4.37Å; F28-L42 HydrophobicContact CZ-CD1 3.75Å; F28-F47 HydrophobicContact CZ-CE1 4.34Å; F28-A49 HydrophobicContact CB-CB 4.27Å; F28-A49 HydrophobicContact CD1-CB 3.52Å; F28-A49 HydrophobicContact CD2-CB 4.23Å; F28-A49 HydrophobicContact CE1-CB 3.83Å; F28-A49 HydrophobicContact CE2-CB 4.5Å; F28-A49 HydrophobicContact CG-CB 3.74Å; F28-A49 HydrophobicContact CZ-CB 4.32Å; F28-S53 WeakPolarHBondContact CD2-O 3.41Å; F28-S53 PolarHBondContact N-O 2.94Å; F28-L55 HydrophobicContact CE2-CD1 4.11Å; F28-L55 HydrophobicContact CE2-CD2 4.49Å; F28-L55 HydrophobicContact CE2-CG 3.79Å; F28-L55 HydrophobicContact CZ-CD1 3.85Å; F28-L55 HydrophobicContact CZ-CG 3.99Å
29	P	83.8	Confident	80.7	Confident	21 Å²	21	86.3 Å²	86.3	14%	0.136	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-54.4	147.1	178.7	-26.1	34.7	0	0	0	112.1	D31 R34 R35 W38	P29-D31 VanDerWaalsContact C-N 3.3Å; P29-R34 HydrophobicContact CB-CB 4.2Å; P29-R34 HydrophobicContact CB-CG 4.23Å; P29-R34 HydrophobicContact CG-CB 4.35Å; P29-R34 HydrophobicContact CG-CG 3.89Å; P29-R35 PolarHBondContact O-NE 2.9Å; P29-R35 PolarHBondContact O-NH2 3.29Å; P29-W38 HydrophobicContact CG-CD2 4.2Å; P29-W38 HydrophobicContact CG-CH2 4.47Å; P29-W38 HydrophobicContact CG-CZ2 4.11Å
30	K	79.1	Confident	81.2	Confident	197 Å²	197	82.3 Å²	82.3	86%	0.857	39%	0.388	S	S	*	.	S	Bend	trans	-74.6	-24.1	171.8	-69.6	-171.1	177.8	-173.9	0	112.5	K32	K30-K32 PolarHBondContact O-N 3.17Å
31	D	83.1	Confident	81.8	Confident	88 Å²	88	77.2 Å²	77.2	47%	0.471	36%	0.364	S	S	.	.	S	Bend	trans	-64.1	127.6	175.5	175.6	53.8	0	0	0	110.9	P29 E33 R34 R35	P29-D31 VanDerWaalsContact C-N 3.3Å; D31-E33 PolarHBondContact O-N 3.37Å; D31-E33 PolarHBondContact OD2-N 3.03Å; D31-R34 HydrophobicContact CB-CB 4.24Å; D31-R34 VanDerWaalsContact OD2-CB 3.3Å; D31-R34 WeakPolarHBondContact OD2-CB 3.37Å; D31-R34 PolarHBondContact OD2-N 3.24Å; D31-R35 WeakPolarHBondContact O-CB 3.14Å; D31-R35 PolarHBondContact O-N 3.09Å
32	K	79.8	Confident	82	Confident	180 Å²	180	67.9 Å²	67.9	78%	0.783	33%	0.329	S	S	*	.	H	α-helix	trans	-66.7	-39.9	-170.7	-73.3	-176.4	178.2	178.5	0	112	K30 K36	K30-K32 PolarHBondContact O-N 3.17Å; K32-K36 WeakPolarHBondContact O-CB 3.33Å; K32-K36 PolarHBondContact O-N 3.26Å; K32-K36 VanDerWaalsContact O-N 3.07Å
33	E	80.4	Confident	81.8	Confident	135 Å²	135	70 Å²	70	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-71.3	-44.5	-178.8	-66.1	-163.1	165.2	0	0	111.8	D31 K36 R37	D31-E33 PolarHBondContact O-N 3.37Å; D31-E33 PolarHBondContact OD2-N 3.03Å; E33-K36 PolarHBondContact O-N 3.15Å; E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 3.18Å; E33-R37 IonicContact OE2-NH2 3.3Å
34	R	80.8	Confident	81.5	Confident	37 Å²	37	75.5 Å²	75.5	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-37.6	178	-164.3	-178.7	172.6	-174.6	0.9	111.8	P29 D31 R37 W38 R75 V78	P29-R34 HydrophobicContact CB-CB 4.2Å; P29-R34 HydrophobicContact CB-CG 4.23Å; P29-R34 HydrophobicContact CG-CB 4.35Å; P29-R34 HydrophobicContact CG-CG 3.89Å; D31-R34 HydrophobicContact CB-CB 4.24Å; D31-R34 VanDerWaalsContact OD2-CB 3.3Å; D31-R34 WeakPolarHBondContact OD2-CB 3.37Å; D31-R34 PolarHBondContact OD2-N 3.24Å; R34-R37 PolarHBondContact O-N 3.33Å; R34-W38 PolarHBondContact O-N 2.85Å; R34-R75 PolarHBondContact NH2-O 3.38Å; R34-V78 PolarHBondContact NE-O 3.47Å; R34-V78 VanDerWaalsContact NE-O 3.09Å; R34-V78 VanDerWaalsContact NH2-N 3.15Å; R34-V78 PolarHBondContact NH2-O 3.04Å
35	R	84.4	Confident	81	Confident	44 Å²	44	81.1 Å²	81.1	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-47.4	173.5	-176.2	175.1	-74.5	-170.2	-7.4	111	F28 P29 D31 R37 W38 E39 A49 D51	F28-R35 HydrophobicContact CB-CG 4.48Å; F28-R35 HydrophobicContact CD1-CG 4.27Å; P29-R35 PolarHBondContact O-NE 2.9Å; P29-R35 PolarHBondContact O-NH2 3.29Å; D31-R35 WeakPolarHBondContact O-CB 3.14Å; D31-R35 PolarHBondContact O-N 3.09Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.2Å; R35-W38 WeakPolarHBondContact O-CB 3.28Å; R35-W38 PolarHBondContact O-N 3.45Å; R35-W38 VanDerWaalsContact O-N 3.11Å; R35-E39 WeakPolarHBondContact O-CG 3.47Å; R35-E39 PolarHBondContact O-N 2.87Å; R35-A49 HydrophobicContact CG-CB 4.35Å; R35-D51 IonicContact CZ-OD1 3.8Å; R35-D51 VanDerWaalsContact CZ-OD1 3.3Å; R35-D51 IonicContact NH1-OD1 3.39Å; R35-D51 PolarHBondContact NH1-OD1 3.13Å; R35-D51 IonicContact NH2-OD1 2.72Å; R35-D51 PolarHBondContact NH2-OD1 3.2Å
36	K	81.9	Confident	80.4	Confident	137 Å²	137	83.8 Å²	83.8	60%	0.596	40%	0.403	S	S	*	.	H	α-helix	trans	-62.3	-38.3	177.4	-163.9	172.1	-175	177.9	0	112.4	K32 E33 W38 E39 I40	K32-K36 WeakPolarHBondContact O-CB 3.33Å; K32-K36 PolarHBondContact O-N 3.26Å; K32-K36 VanDerWaalsContact O-N 3.07Å; E33-K36 PolarHBondContact O-N 3.15Å; K36-W38 VanDerWaalsContact C-N 3.34Å; K36-W38 PolarHBondContact O-N 2.79Å; K36-E39 PolarHBondContact O-N 2.96Å; K36-I40 HydrophobicContact CG-CD1 4.26Å; K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.44Å; K36-I40 PolarHBondContact O-N 3.35Å
37	R	81.3	Confident	80.1	Confident	90 Å²	90	85.2 Å²	85.2	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-37.9	173.7	-75.3	-177.7	-104.8	144.6	-8.3	112.6	E33 R34 R35 A41 I79	E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 3.18Å; E33-R37 IonicContact OE2-NH2 3.3Å; R34-R37 PolarHBondContact O-N 3.33Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.2Å; R37-A41 WeakPolarHBondContact O-CB 3.29Å; R37-A41 PolarHBondContact O-N 3.12Å; R37-I79 HydrophobicContact CB-CD1 4.13Å; R37-I79 HydrophobicContact CB-CG1 4.43Å; R37-I79 HydrophobicContact CG-CD1 4.46Å
38	W	86.9	Confident	79.9	Confident	3 Å²	3	84.3 Å²	84.3	1%	0.011	42%	0.415	C	S	.	.	H	α-helix	trans	-70.7	-37.7	175.1	-76.1	35.6	0	0	0	112.6	F28 P29 R34 R35 K36 A41 L42 L55 F60 L74 V78 P80	F28-W38 HydrophobicContact CD1-CB 3.84Å; F28-W38 AromaticContact CD1-CE3 3.99Å; F28-W38 HydrophobicContact CD1-CE3 3.99Å; F28-W38 HydrophobicContact CE1-CB 3.56Å; F28-W38 HydrophobicContact CE1-CE3 4.1Å; F28-W38 HydrophobicContact CG-CE3 4.21Å; F28-W38 HydrophobicContact CZ-CE3 4.4Å; P29-W38 HydrophobicContact CG-CD2 4.2Å; P29-W38 HydrophobicContact CG-CH2 4.47Å; P29-W38 HydrophobicContact CG-CZ2 4.11Å; R34-W38 PolarHBondContact O-N 2.85Å; R35-W38 WeakPolarHBondContact O-CB 3.28Å; R35-W38 PolarHBondContact O-N 3.45Å; R35-W38 VanDerWaalsContact O-N 3.11Å; K36-W38 VanDerWaalsContact C-N 3.34Å; K36-W38 PolarHBondContact O-N 2.79Å; W38-A41 PolarHBondContact O-N 3.49Å; W38-L42 PolarHBondContact O-N 2.85Å; W38-L55 HydrophobicContact CE3-CD1 3.77Å; W38-L55 HydrophobicContact CZ3-CD1 4.08Å; W38-F60 HydrophobicContact CE3-CZ 4.28Å; W38-F60 AromaticContact CH2-CE1 3.57Å; W38-F60 HydrophobicContact CH2-CE1 3.57Å; W38-F60 HydrophobicContact CH2-CE2 4.35Å; W38-F60 AromaticContact CH2-CZ 3.25Å; W38-F60 HydrophobicContact CH2-CZ 3.25Å; W38-F60 AromaticContact CZ2-CE1 3.51Å; W38-F60 HydrophobicContact CZ2-CE1 3.51Å; W38-F60 AromaticContact CZ2-CZ 3.73Å; W38-F60 HydrophobicContact CZ2-CZ 3.73Å; W38-F60 HydrophobicContact CZ3-CE1 4.24Å; W38-F60 AromaticContact CZ3-CZ 3.57Å; W38-F60 HydrophobicContact CZ3-CZ 3.57Å; W38-L74 HydrophobicContact CH2-CD1 3.53Å; W38-L74 HydrophobicContact CZ2-CD1 3.99Å; W38-V78 PolarHBondContact NE1-O 3.3Å; W38-P80 HydrophobicContact CB-CG 4.49Å; W38-P80 VanDerWaalsContact CD1-CD 3.46Å; W38-P80 HydrophobicContact CD2-CG 4.08Å; W38-P80 VanDerWaalsContact CE2-CD 3.5Å; W38-P80 HydrophobicContact CE3-CG 4.44Å; W38-P80 HydrophobicContact CG-CG 4.1Å
39	E	84.6	Confident	79.7	Confident	40 Å²	40	84.5 Å²	84.5	19%	0.187	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-45.6	174.2	-71	168.9	172.2	0	0	111.4	F28 R35 K36 A41 L42 A49	F28-E39 HydrophobicContact CE1-CG 4.39Å; R35-E39 WeakPolarHBondContact O-CG 3.47Å; R35-E39 PolarHBondContact O-N 2.87Å; K36-E39 PolarHBondContact O-N 2.96Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 3.34Å; E39-L42 WeakPolarHBondContact O-CB 3.42Å; E39-L42 PolarHBondContact O-N 2.95Å; E39-A49 HydrophobicContact CG-CB 3.98Å; E39-A49 WeakPolarHBondContact OE1-CB 3.45Å; E39-A49 PolarHBondContact OE1-N 3.15Å
40	I	80.6	Confident	79.5	Confident	115 Å²	115	86.1 Å²	86.1	59%	0.59	43%	0.43	S	S	*	.	H	α-helix	trans	-63.2	-39.4	176.2	-66.4	164.8	0	0	0	111	K36 L42 R43	K36-I40 HydrophobicContact CG-CD1 4.26Å; K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.44Å; K36-I40 PolarHBondContact O-N 3.35Å; I40-L42 PolarHBondContact O-N 2.82Å; I40-R43 PolarHBondContact O-N 2.77Å
41	A	80.5	Confident	79.3	Confident	21 Å²	21	82.3 Å²	82.3	17%	0.174	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-26.1	-179.7	0	0	0	0	0	113.1	R37 W38 E39 R43 I79 P80 F83 F85	R37-A41 WeakPolarHBondContact O-CB 3.29Å; R37-A41 PolarHBondContact O-N 3.12Å; W38-A41 PolarHBondContact O-N 3.49Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 3.34Å; A41-R43 VanDerWaalsContact C-N 3.3Å; A41-R43 PolarHBondContact O-N 3.3Å; A41-I79 HydrophobicContact CB-CG2 4.15Å; A41-P80 HydrophobicContact CB-CG 4.19Å; A41-F83 HydrophobicContact CB-CE2 4.12Å; A41-F83 WeakPolarHBondContact O-CE2 3.27Å; A41-F85 WeakPolarHBondContact O-CZ 3.43Å
42	L	77.6	Confident	79	Confident	1 Å²	1	82 Å²	82	1%	0.005	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.9	176.1	-73.9	173.8	0	0	0	114.3	A7 F28 W38 E39 I40 R44 F47 L55 F83 F85	A7-L42 HydrophobicContact CB-CD2 4.2Å; F28-L42 HydrophobicContact CE1-CD1 4.37Å; F28-L42 HydrophobicContact CZ-CD1 3.75Å; W38-L42 PolarHBondContact O-N 2.85Å; E39-L42 WeakPolarHBondContact O-CB 3.42Å; E39-L42 PolarHBondContact O-N 2.95Å; I40-L42 PolarHBondContact O-N 2.82Å; L42-R44 PolarHBondContact O-N 3.21Å; L42-R44 VanDerWaalsContact O-N 3.12Å; L42-F47 HydrophobicContact CD1-CD1 3.83Å; L42-F47 HydrophobicContact CD1-CE1 3.6Å; L42-F47 HydrophobicContact CD1-CZ 4.43Å; L42-L55 HydrophobicContact CD2-CD2 3.97Å; L42-F83 HydrophobicContact CD2-CD1 4.48Å; L42-F83 HydrophobicContact CD2-CE1 3.57Å; L42-F83 HydrophobicContact CD2-CZ 3.79Å; L42-F83 HydrophobicContact CG-CZ 4.48Å; L42-F85 WeakPolarHBondContact O-CE1 3.43Å
43	R	70.6	Confident	79.2	Confident	100 Å²	100	74.1 Å²	74.1	38%	0.377	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	38.2	179.8	-57.9	-173.9	-178.3	-174.5	2.4	113.9	I40 A41 F85 L89	I40-R43 PolarHBondContact O-N 2.77Å; A41-R43 VanDerWaalsContact C-N 3.3Å; A41-R43 PolarHBondContact O-N 3.3Å; R43-F85 HydrophobicContact CB-CE1 4.07Å; R43-F85 HydrophobicContact CB-CZ 4.07Å; R43-F85 HydrophobicContact CG-CE1 4.5Å; R43-F85 HydrophobicContact CG-CE2 4.32Å; R43-F85 HydrophobicContact CG-CZ 4.02Å; R43-L89 PolarHBondContact NH1-O 3.42Å
44	R	74	Confident	79.5	Confident	130 Å²	130	67.9 Å²	67.9	49%	0.491	36%	0.362	S	S	.	.			trans	-105.9	116.4	178.3	-166.5	173.7	-175.6	149.9	1.8	108.6	L42 G46 F47	L42-R44 PolarHBondContact O-N 3.21Å; L42-R44 VanDerWaalsContact O-N 3.12Å; R44-G46 PolarHBondContact O-N 3.34Å; R44-F47 HydrophobicContact CB-CB 3.98Å; R44-F47 HydrophobicContact CG-CB 4.23Å; R44-F47 PolarHBondContact O-N 2.85Å
45	D	72.1	Confident	79.7	Confident	173 Å²	173	66.1 Å²	66.1	93%	0.925	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	128.1	-177.7	-85.2	-19.1	0	0	0	111.3	F47	D45-F47 VanDerWaalsContact C-N 3.31Å; D45-F47 PolarHBondContact O-N 3.24Å
46	G	71.1	Confident	79.7	Confident	84 Å²	84	64 Å²	64	87%	0.866	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	8	177.1	0	0	0	0	0	116.5	R44	R44-G46 PolarHBondContact O-N 3.34Å
47	F	80.1	Confident	79.8	Confident	54 Å²	54	58.4 Å²	58.4	24%	0.237	33%	0.326	C	S	.	.			trans	-79.1	125.6	-179.6	-179.8	-98	0	0	0	112.8	F28 L42 R44 D45 A49	F28-F47 HydrophobicContact CZ-CE1 4.34Å; L42-F47 HydrophobicContact CD1-CD1 3.83Å; L42-F47 HydrophobicContact CD1-CE1 3.6Å; L42-F47 HydrophobicContact CD1-CZ 4.43Å; R44-F47 HydrophobicContact CB-CB 3.98Å; R44-F47 HydrophobicContact CG-CB 4.23Å; R44-F47 PolarHBondContact O-N 2.85Å; D45-F47 VanDerWaalsContact C-N 3.31Å; D45-F47 PolarHBondContact O-N 3.24Å; F47-A49 HydrophobicContact CE1-CB 4.1Å; F47-A49 HydrophobicContact CZ-CB 4.47Å
48	T	80.2	Confident	79.9	Confident	112 Å²	112	60 Å²	60	69%	0.687	34%	0.335	S	S	*	.			trans	-120	132.2	170.2	52.8	0	0	0	0	110	S50	T48-S50 PolarHBondContact O-N 2.9Å
49	A	80.5	Confident	79.7	Confident	13 Å²	13	60.6 Å²	60.6	11%	0.107	34%	0.338	C	S	.	.			trans	-79.7	124.4	-174.1	0	0	0	0	0	111.2	F28 R35 E39 F47	F28-A49 HydrophobicContact CB-CB 4.27Å; F28-A49 HydrophobicContact CD1-CB 3.52Å; F28-A49 HydrophobicContact CD2-CB 4.23Å; F28-A49 HydrophobicContact CE1-CB 3.83Å; F28-A49 HydrophobicContact CE2-CB 4.5Å; F28-A49 HydrophobicContact CG-CB 3.74Å; F28-A49 HydrophobicContact CZ-CB 4.32Å; R35-A49 HydrophobicContact CG-CB 4.35Å; E39-A49 HydrophobicContact CG-CB 3.98Å; E39-A49 WeakPolarHBondContact OE1-CB 3.45Å; E39-A49 PolarHBondContact OE1-N 3.15Å; F47-A49 HydrophobicContact CE1-CB 4.1Å; F47-A49 HydrophobicContact CZ-CB 4.47Å
50	S	80	Confident	79.7	Confident	55 Å²	55	59 Å²	59	39%	0.385	33%	0.33	S	S	.	.			trans	-79.4	163.2	169.1	75.8	0	0	0	0	111.1	T48 S52 S53	T48-S50 PolarHBondContact O-N 2.9Å; S50-S52 PolarHBondContact O-N 2.8Å; S50-S52 PolarHBondContact OG-N 2.96Å; S50-S52 PolarHBondContact OG-OG 3.11Å; S50-S53 PolarHBondContact N-OG 3.09Å; S50-S53 VanDerWaalsContact N-OG 3.12Å; S50-S53 VanDerWaalsContact O-CB 3.29Å; S50-S53 WeakPolarHBondContact O-CB 3.39Å; S50-S53 PolarHBondContact O-N 3.39Å; S50-S53 PolarHBondContact O-OG 3.34Å; S50-S53 PolarHBondContact OG-N 2.9Å; S50-S53 PolarHBondContact OG-OG 2.85Å
51	D	75.7	Confident	79.8	Confident	117 Å²	117	58 Å²	58	63%	0.626	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.5	175.9	-70.5	-26.8	0	0	0	114.1	R35	R35-D51 IonicContact CZ-OD1 3.8Å; R35-D51 VanDerWaalsContact CZ-OD1 3.3Å; R35-D51 IonicContact NH1-OD1 3.39Å; R35-D51 PolarHBondContact NH1-OD1 3.13Å; R35-D51 IonicContact NH2-OD1 2.72Å; R35-D51 PolarHBondContact NH2-OD1 3.2Å
52	S	76.6	Confident	79.5	Confident	80 Å²	80	62.9 Å²	62.9	56%	0.559	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-11	174.7	74.7	0	0	0	0	114	S50	S50-S52 PolarHBondContact O-N 2.8Å; S50-S52 PolarHBondContact OG-N 2.96Å; S50-S52 PolarHBondContact OG-OG 3.11Å
53	S	83.4	Confident	79.5	Confident	16 Å²	16	68.8 Å²	68.8	11%	0.112	38%	0.377	C	S	.	.			trans	-69.9	139.8	-177.4	-60.6	0	0	0	0	111.6	F28 S50	F28-S53 WeakPolarHBondContact CD2-O 3.41Å; F28-S53 PolarHBondContact N-O 2.94Å; S50-S53 PolarHBondContact N-OG 3.09Å; S50-S53 VanDerWaalsContact N-OG 3.12Å; S50-S53 VanDerWaalsContact O-CB 3.29Å; S50-S53 WeakPolarHBondContact O-CB 3.39Å; S50-S53 PolarHBondContact O-N 3.39Å; S50-S53 PolarHBondContact O-OG 3.34Å; S50-S53 PolarHBondContact OG-N 2.9Å; S50-S53 PolarHBondContact OG-OG 2.85Å
54	V	85.9	Confident	79.9	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.9	-175.8	-67.2	0	0	0	0	112.1	Q3 F4 S6 F25 H26 K27	Q3-V54 HydrophobicContact CB-CG2 3.99Å; F4-V54 WeakPolarHBondContact O-CG2 3.31Å; S6-V54 PolarHBondContact N-O 3.06Å; S6-V54 PolarHBondContact OG-O 2.99Å; F25-V54 HydrophobicContact CB-CB 4.46Å; F25-V54 HydrophobicContact CD1-CG2 3.97Å; H26-V54 CarbonylContact O-C 3.43Å; H26-V54 VanDerWaalsContact O-CA 3.28Å; H26-V54 WeakPolarHBondContact O-CA 3.34Å; K27-V54 HydrophobicContact CB-CG1 4.39Å; K27-V54 HydrophobicContact CG-CG1 3.67Å
55	L	85.9	Confident	80.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.2	169.3	-69.8	174.5	0	0	0	110.7	A7 H26 F28 W38 L42 F60 P80	A7-L55 HydrophobicContact CB-CD2 3.89Å; H26-L55 PolarHBondContact N-O 2.97Å; H26-L55 PolarHBondContact O-N 2.91Å; F28-L55 HydrophobicContact CE2-CD1 4.11Å; F28-L55 HydrophobicContact CE2-CD2 4.49Å; F28-L55 HydrophobicContact CE2-CG 3.79Å; F28-L55 HydrophobicContact CZ-CD1 3.85Å; F28-L55 HydrophobicContact CZ-CG 3.99Å; W38-L55 HydrophobicContact CE3-CD1 3.77Å; W38-L55 HydrophobicContact CZ3-CD1 4.08Å; L42-L55 HydrophobicContact CD2-CD2 3.97Å; L55-F60 HydrophobicContact CB-CE2 4.01Å; L55-F60 HydrophobicContact CB-CZ 4.31Å; L55-F60 HydrophobicContact CD1-CZ 4.34Å; L55-P80 HydrophobicContact CD1-CB 4.3Å; L55-P80 HydrophobicContact CD1-CG 3.93Å
56	C	85.3	Confident	80.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	157.1	176.3	78	0	0	0	0	111.9	C5 N12 I23 T24 F25 K58 H59	C5-C56 HydrophobicContact CB-CB 4.34Å; C5-C56 PolarHBondContact SG-N 2.94Å; N12-C56 HydrophobicContact CB-CB 4.45Å; N12-C56 PolarHBondContact ND2-SG 3.07Å; N12-C56 VanDerWaalsContact ND2-SG 3.41Å; I23-C56 HydrophobicContact CG2-CB 3.73Å; T24-C56 CarbonylContact O-C 3.46Å; T24-C56 WeakPolarHBondContact O-CA 3.46Å; F25-C56 HydrophobicContact CD1-CB 3.96Å; F25-C56 HydrophobicContact CE1-CB 3.76Å; F25-C56 HydrophobicContact CZ-CB 4.14Å; C56-K58 PolarHBondContact O-N 3.49Å; C56-K58 VanDerWaalsContact O-N 3.09Å; C56-H59 PolarHBondContact O-N 3.43Å; C56-H59 VanDerWaalsContact SG-CD2 3.54Å
57	S	83.8	Confident	80.3	Confident	19 Å²	19	57.5 Å²	57.5	13%	0.133	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-60.7	-20.6	-174.1	55.6	0	0	0	0	114.8	T24 H59 F60	T24-S57 PolarHBondContact N-OG 2.58Å; T24-S57 PolarHBondContact O-N 3.26Å; T24-S57 WeakPolarHBondContact OG1-CB 3.35Å; S57-H59 PolarHBondContact O-N 3.44Å; S57-H59 VanDerWaalsContact O-N 3.15Å; S57-F60 PolarHBondContact O-N 3.49Å
58	K	82.1	Confident	79.7	Confident	123 Å²	123	61.1 Å²	61.1	54%	0.535	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.8	177.5	-73.8	-173.4	169.9	178.9	0	114.5	I23 C56 F60	I23-K58 HydrophobicContact CD1-CD 4.21Å; C56-K58 PolarHBondContact O-N 3.49Å; C56-K58 VanDerWaalsContact O-N 3.09Å; K58-F60 VanDerWaalsContact C-N 3.3Å
59	H	84.3	Confident	78.8	Confident	15 Å²	15	58.1 Å²	58.1	7%	0.069	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-88.9	1.7	-179	-59.9	-62.3	0	0	0	113.7	A7 C10 C56 S57 P80 S81 I82 F83	A7-H59 VanDerWaalsContact CB-CE1 3.43Å; A7-H59 WeakPolarHBondContact CB-CE1 3.44Å; A7-H59 WeakPolarHBondContact CB-NE2 3.49Å; C10-H59 PolarHBondContact SG-NE2 3.32Å; C10-H59 VanDerWaalsContact SG-NE2 3.38Å; C56-H59 PolarHBondContact O-N 3.43Å; C56-H59 VanDerWaalsContact SG-CD2 3.54Å; S57-H59 PolarHBondContact O-N 3.44Å; S57-H59 VanDerWaalsContact O-N 3.15Å; H59-P80 HydrophobicContact CB-CB 4.27Å; H59-P80 WeakPolarHBondContact O-CA 3.35Å; H59-S81 PolarHBondContact O-N 3.12Å; H59-S81 VanDerWaalsContact O-N 3.15Å; H59-I82 WeakPolarHBondContact CA-O 3.39Å; H59-I82 PolarHBondContact ND1-O 3.07Å; H59-I82 PolarHBondContact O-N 3.49Å; H59-F83 HydrophobicContact CB-CE1 4.04Å; H59-F83 HydrophobicContact CB-CZ 4.31Å; H59-F83 AromaticContact CG-CE1 3.82Å; H59-F83 AromaticContact ND1-CD1 3.56Å; H59-F83 AromaticContact ND1-CE1 3.71Å
60	F	83.8	Confident	77.7	Confident	7 Å²	7	67.5 Å²	67.5	3%	0.031	37%	0.366	C	S	.	.	S	Bend	trans	-121.3	151.9	179.6	-57.4	-86	0	0	0	109.6	W38 L55 S57 K58 D64 F65 L74 V78 P80	W38-F60 HydrophobicContact CE3-CZ 4.28Å; W38-F60 AromaticContact CH2-CE1 3.57Å; W38-F60 HydrophobicContact CH2-CE1 3.57Å; W38-F60 HydrophobicContact CH2-CE2 4.35Å; W38-F60 AromaticContact CH2-CZ 3.25Å; W38-F60 HydrophobicContact CH2-CZ 3.25Å; W38-F60 AromaticContact CZ2-CE1 3.51Å; W38-F60 HydrophobicContact CZ2-CE1 3.51Å; W38-F60 AromaticContact CZ2-CZ 3.73Å; W38-F60 HydrophobicContact CZ2-CZ 3.73Å; W38-F60 HydrophobicContact CZ3-CE1 4.24Å; W38-F60 AromaticContact CZ3-CZ 3.57Å; W38-F60 HydrophobicContact CZ3-CZ 3.57Å; L55-F60 HydrophobicContact CB-CE2 4.01Å; L55-F60 HydrophobicContact CB-CZ 4.31Å; L55-F60 HydrophobicContact CD1-CZ 4.34Å; S57-F60 PolarHBondContact O-N 3.49Å; K58-F60 VanDerWaalsContact C-N 3.3Å; F60-D64 HydrophobicContact CB-CB 4.42Å; F60-F65 HydrophobicContact CB-CE2 3.76Å; F60-F65 HydrophobicContact CB-CZ 3.62Å; F60-F65 HydrophobicContact CD2-CZ 4.26Å; F60-F65 HydrophobicContact CG-CZ 4.22Å; F60-L74 HydrophobicContact CB-CD2 4.14Å; F60-L74 HydrophobicContact CD1-CD1 4.19Å; F60-L74 HydrophobicContact CD1-CD2 3.81Å; F60-L74 HydrophobicContact CD2-CD1 4.45Å; F60-L74 HydrophobicContact CD2-CD2 4.34Å; F60-L74 HydrophobicContact CE1-CD1 3.84Å; F60-L74 HydrophobicContact CE1-CD2 4.31Å; F60-L74 HydrophobicContact CE2-CD1 4.15Å; F60-L74 HydrophobicContact CG-CD1 4.47Å; F60-L74 HydrophobicContact CG-CD2 3.83Å; F60-L74 HydrophobicContact CZ-CD1 3.84Å; F60-V78 HydrophobicContact CD1-CG1 3.63Å; F60-V78 HydrophobicContact CE1-CG1 4.12Å; F60-P80 HydrophobicContact CD1-CB 4.07Å; F60-P80 HydrophobicContact CE1-CB 3.56Å; F60-P80 HydrophobicContact CE1-CG 4.09Å; F60-P80 HydrophobicContact CE2-CB 4.42Å; F60-P80 HydrophobicContact CZ-CB 3.73Å; F60-P80 HydrophobicContact CZ-CG 4.21Å
61	K	81.8	Confident	76.9	Confident	95 Å²	95	70 Å²	70	41%	0.413	37%	0.374	S	S	.	.			trans	-76.2	157.1	175.4	-62	177.6	-179.4	179.5	0	109.7	E63 D64 F65 I82	K61-E63 HydrophobicContact CB-CG 3.82Å; K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CD-OE1 3.3Å; K61-E63 IonicContact NZ-OE1 3.4Å; K61-E63 PolarHBondContact O-N 3.38Å; K61-D64 WeakPolarHBondContact CB-OD2 3.37Å; K61-D64 PolarHBondContact N-OD2 3.31Å; K61-D64 WeakPolarHBondContact O-CB 3.21Å; K61-D64 PolarHBondContact O-N 3.34Å; K61-D64 VanDerWaalsContact O-N 3.13Å; K61-F65 VanDerWaalsContact O-CD2 3.26Å; K61-F65 WeakPolarHBondContact O-CD2 3.44Å; K61-F65 WeakPolarHBondContact O-CE2 3.47Å; K61-I82 HydrophobicContact CG-CD1 3.93Å; K61-I82 HydrophobicContact CG-CG1 4.35Å
62	T	75.3	Confident	76.6	Confident	122 Å²	122	67.1 Å²	67.1	75%	0.748	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63	-25.1	179.7	47.2	0	0	0	0	113.4
63	E	77.4	Confident	76.6	Confident	126 Å²	126	70.8 Å²	70.8	59%	0.589	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-74.5	-22.6	177.2	61.2	-168.7	173.3	0	0	114	K61 F65 R75	K61-E63 HydrophobicContact CB-CG 3.82Å; K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CD-OE1 3.3Å; K61-E63 IonicContact NZ-OE1 3.4Å; K61-E63 PolarHBondContact O-N 3.38Å; E63-F65 PolarHBondContact O-N 3.07Å; E63-R75 PolarHBondContact O-NE 2.99Å
64	D	79.3	Confident	76.5	Confident	28 Å²	28	71.6 Å²	71.6	15%	0.15	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-75.6	-11.9	-177.1	-66.4	-31.3	0	0	0	113.2	F60 K61 L74 R75 V78	F60-D64 HydrophobicContact CB-CB 4.42Å; K61-D64 WeakPolarHBondContact CB-OD2 3.37Å; K61-D64 PolarHBondContact N-OD2 3.31Å; K61-D64 WeakPolarHBondContact O-CB 3.21Å; K61-D64 PolarHBondContact O-N 3.34Å; K61-D64 VanDerWaalsContact O-N 3.13Å; D64-L74 HydrophobicContact CB-CD2 4.37Å; D64-R75 PolarHBondContact O-N 3.28Å; D64-V78 HydrophobicContact CB-CB 4.28Å; D64-V78 HydrophobicContact CB-CG1 3.57Å; D64-V78 HydrophobicContact CB-CG2 3.72Å
65	F	78.5	Confident	76.3	Confident	21 Å²	21	77.2 Å²	77.2	9%	0.092	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.4	-179.7	-64	-77.9	0	0	0	111.3	H26 F60 K61 E63 K67 V72 R73 L74	H26-F65 AromaticContact CE1-CE1 3.91Å; H26-F65 AromaticContact NE2-CE1 3.44Å; H26-F65 WeakPolarHBondContact NE2-CE1 3.42Å; F60-F65 HydrophobicContact CB-CE2 3.76Å; F60-F65 HydrophobicContact CB-CZ 3.62Å; F60-F65 HydrophobicContact CD2-CZ 4.26Å; F60-F65 HydrophobicContact CG-CZ 4.22Å; K61-F65 VanDerWaalsContact O-CD2 3.26Å; K61-F65 WeakPolarHBondContact O-CD2 3.44Å; K61-F65 WeakPolarHBondContact O-CE2 3.47Å; E63-F65 PolarHBondContact O-N 3.07Å; F65-K67 HydrophobicContact CB-CG 4.49Å; F65-V72 HydrophobicContact CB-CG1 4.01Å; F65-V72 HydrophobicContact CD1-CG1 3.72Å; F65-V72 HydrophobicContact CG-CG1 4.14Å; F65-R73 WeakPolarHBondContact CA-O 3.46Å; F65-L74 HydrophobicContact CD1-CD2 3.62Å; F65-L74 HydrophobicContact CD1-CG 4.24Å; F65-L74 HydrophobicContact CE1-CD2 3.34Å; F65-L74 HydrophobicContact CE1-CG 4.01Å; F65-L74 HydrophobicContact CG-CD2 4.34Å; F65-L74 HydrophobicContact CZ-CD2 3.88Å
66	D	75.1	Confident	75.2	Confident	56 Å²	56	80.9 Å²	80.9	30%	0.299	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.8	166.8	-156.8	-23.2	0	0	0	109	T68 R73 R75	D66-T68 WeakPolarHBondContact OD1-CB 3.08Å; D66-T68 PolarHBondContact OD1-N 3.26Å; D66-T68 PolarHBondContact OD1-OG1 3.43Å; D66-R73 PolarHBondContact N-O 3.44Å; D66-R73 PolarHBondContact O-N 3.06Å; D66-R75 HydrophobicContact CB-CG 4.09Å; D66-R75 IonicContact OD2-NH1 3.9Å
67	K	71.3	Confident	74.6	Confident	144 Å²	144	86.5 Å²	86.5	63%	0.626	45%	0.446	S	S	*	.			trans	-104.1	10	-177.7	-62.6	-177.4	-177.4	178.3	0	112.6	F65 G69 V72	F65-K67 HydrophobicContact CB-CG 4.49Å; K67-G69 PolarHBondContact O-N 3.32Å; K67-G69 VanDerWaalsContact O-N 3.14Å; K67-V72 HydrophobicContact CG-CG1 4.46Å
68	T	68.1	Low	74.3	Confident	130 Å²	130	86.3 Å²	86.3	80%	0.798	44%	0.444	S	S	*	.	S	Bend	trans	-76.2	1.1	-170.5	-34.8	0	0	0	0	113.4	D66	D66-T68 WeakPolarHBondContact OD1-CB 3.08Å; D66-T68 PolarHBondContact OD1-N 3.26Å; D66-T68 PolarHBondContact OD1-OG1 3.43Å
69	G	60.8	Low	74.2	Confident	50 Å²	50	83.5 Å²	83.5	52%	0.515	43%	0.434	S	S	.	.	S	Bend	trans	-138.1	-179.9	177.3	0	0	0	0	0	113.9	K67 I71	K67-G69 PolarHBondContact O-N 3.32Å; K67-G69 VanDerWaalsContact O-N 3.14Å; G69-I71 PolarHBondContact O-N 3.22Å; G69-I71 VanDerWaalsContact O-N 3.13Å
70	Q	57.9	Low	74.1	Confident	209 Å²	209	82.9 Å²	82.9	98%	0.977	43%	0.432	S	S	*	.	S	Bend	trans	-63.3	-16.7	-176.1	-77.9	177.4	-24	0	0	115.3
71	I	62.4	Low	73.8	Confident	107 Å²	107	86 Å²	86	55%	0.549	45%	0.454	S	S	.	.	S	Bend	trans	-125.7	128.4	177.7	-55.8	174.4	0	0	0	108.6	G69 R73	G69-I71 PolarHBondContact O-N 3.22Å; G69-I71 VanDerWaalsContact O-N 3.13Å; I71-R73 PolarHBondContact O-N 3.33Å
72	V	69.6	Low	73.6	Confident	57 Å²	57	85.2 Å²	85.2	35%	0.345	45%	0.453	S	S	.	.			trans	-69.3	119.8	176	-177.5	0	0	0	0	110.1	F65 K67	F65-V72 HydrophobicContact CB-CG1 4.01Å; F65-V72 HydrophobicContact CD1-CG1 3.72Å; F65-V72 HydrophobicContact CG-CG1 4.14Å; K67-V72 HydrophobicContact CG-CG1 4.46Å
73	R	77.6	Confident	73.7	Confident	158 Å²	158	81 Å²	81	60%	0.596	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	158.3	179.3	-65.6	-175.4	178.1	113	-3.2	110.7	F65 D66 I71	F65-R73 WeakPolarHBondContact CA-O 3.46Å; D66-R73 PolarHBondContact N-O 3.44Å; D66-R73 PolarHBondContact O-N 3.06Å; I71-R73 PolarHBondContact O-N 3.33Å
74	L	81.3	Confident	73.2	Confident	32 Å²	32	79.4 Å²	79.4	17%	0.168	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	140	173	-72	166.1	0	0	0	109.6	H26 W38 F60 D64 F65 V78	H26-L74 HydrophobicContact CB-CD1 3.73Å; W38-L74 HydrophobicContact CH2-CD1 3.53Å; W38-L74 HydrophobicContact CZ2-CD1 3.99Å; F60-L74 HydrophobicContact CB-CD2 4.14Å; F60-L74 HydrophobicContact CD1-CD1 4.19Å; F60-L74 HydrophobicContact CD1-CD2 3.81Å; F60-L74 HydrophobicContact CD2-CD1 4.45Å; F60-L74 HydrophobicContact CD2-CD2 4.34Å; F60-L74 HydrophobicContact CE1-CD1 3.84Å; F60-L74 HydrophobicContact CE1-CD2 4.31Å; F60-L74 HydrophobicContact CE2-CD1 4.15Å; F60-L74 HydrophobicContact CG-CD1 4.47Å; F60-L74 HydrophobicContact CG-CD2 3.83Å; F60-L74 HydrophobicContact CZ-CD1 3.84Å; D64-L74 HydrophobicContact CB-CD2 4.37Å; F65-L74 HydrophobicContact CD1-CD2 3.62Å; F65-L74 HydrophobicContact CD1-CG 4.24Å; F65-L74 HydrophobicContact CE1-CD2 3.34Å; F65-L74 HydrophobicContact CE1-CG 4.01Å; F65-L74 HydrophobicContact CG-CD2 4.34Å; F65-L74 HydrophobicContact CZ-CD2 3.88Å; L74-V78 HydrophobicContact CD2-CG1 4.29Å
75	R	80.1	Confident	72.8	Confident	122 Å²	122	79.3 Å²	79.3	46%	0.46	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-61.4	156.6	175.8	-66.4	177.4	-176.6	-81.5	-3.6	111.3	R34 E63 D64 D66 V78	R34-R75 PolarHBondContact NH2-O 3.38Å; E63-R75 PolarHBondContact O-NE 2.99Å; D64-R75 PolarHBondContact O-N 3.28Å; D66-R75 HydrophobicContact CB-CG 4.09Å; D66-R75 IonicContact OD2-NH1 3.9Å; R75-V78 HydrophobicContact CB-CG2 3.84Å
76	A	64.3	Low	72	Confident	78 Å²	78	80.4 Å²	80.4	65%	0.645	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	138.9	169.8	0	0	0	0	0	108.8	V78	A76-V78 PolarHBondContact O-N 3.33Å
77	D	71	Confident	71.3	Confident	118 Å²	118	83.6 Å²	83.6	63%	0.631	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-1.7	179.5	-48.9	-42.1	0	0	0	119.9	I79	D77-I79 PolarHBondContact O-N 3Å
78	V	78.8	Confident	70.8	Confident	14 Å²	14	83.9 Å²	83.9	9%	0.085	46%	0.46	C	S	.	.			trans	-63.8	135.3	173.7	174.6	0	0	0	0	111.9	R34 W38 F60 D64 L74 R75 A76	R34-V78 PolarHBondContact NE-O 3.47Å; R34-V78 VanDerWaalsContact NE-O 3.09Å; R34-V78 VanDerWaalsContact NH2-N 3.15Å; R34-V78 PolarHBondContact NH2-O 3.04Å; W38-V78 PolarHBondContact NE1-O 3.3Å; F60-V78 HydrophobicContact CD1-CG1 3.63Å; F60-V78 HydrophobicContact CE1-CG1 4.12Å; D64-V78 HydrophobicContact CB-CB 4.28Å; D64-V78 HydrophobicContact CB-CG1 3.57Å; D64-V78 HydrophobicContact CB-CG2 3.72Å; L74-V78 HydrophobicContact CD2-CG1 4.29Å; R75-V78 HydrophobicContact CB-CG2 3.84Å; A76-V78 PolarHBondContact O-N 3.33Å
79	I	80.2	Confident	70.3	Confident	64 Å²	64	80.3 Å²	80.3	33%	0.328	44%	0.435	S	S	.	.			trans	-120	134.4	172.3	-56.2	168.3	0	0	0	108.4	R37 A41 D77 S81	R37-I79 HydrophobicContact CB-CD1 4.13Å; R37-I79 HydrophobicContact CB-CG1 4.43Å; R37-I79 HydrophobicContact CG-CD1 4.46Å; A41-I79 HydrophobicContact CB-CG2 4.15Å; D77-I79 PolarHBondContact O-N 3Å; I79-S81 PolarHBondContact O-N 3.32Å
80	P	82.3	Confident	70.2	Confident	3 Å²	3	83.1 Å²	83.1	2%	0.019	44%	0.435	C	S	.	.			trans	-63.1	132	177.8	26.9	-33.7	0	0	0	109.8	W38 A41 L55 H59 F60 F83	W38-P80 HydrophobicContact CB-CG 4.49Å; W38-P80 VanDerWaalsContact CD1-CD 3.46Å; W38-P80 HydrophobicContact CD2-CG 4.08Å; W38-P80 VanDerWaalsContact CE2-CD 3.5Å; W38-P80 HydrophobicContact CE3-CG 4.44Å; W38-P80 HydrophobicContact CG-CG 4.1Å; A41-P80 HydrophobicContact CB-CG 4.19Å; L55-P80 HydrophobicContact CD1-CB 4.3Å; L55-P80 HydrophobicContact CD1-CG 3.93Å; H59-P80 HydrophobicContact CB-CB 4.27Å; H59-P80 WeakPolarHBondContact O-CA 3.35Å; F60-P80 HydrophobicContact CD1-CB 4.07Å; F60-P80 HydrophobicContact CE1-CB 3.56Å; F60-P80 HydrophobicContact CE1-CG 4.09Å; F60-P80 HydrophobicContact CE2-CB 4.42Å; F60-P80 HydrophobicContact CZ-CB 3.73Å; F60-P80 HydrophobicContact CZ-CG 4.21Å; P80-F83 HydrophobicContact CB-CE2 3.85Å; P80-F83 HydrophobicContact CB-CZ 3.65Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 HydrophobicContact CG-CZ 3.92Å; P80-F83 WeakPolarHBondContact O-CE2 3.42Å
81	S	77	Confident	69.7	Low	71 Å²	71	82.5 Å²	82.5	50%	0.497	42%	0.424	S	S	.	.			trans	-127.2	-12.5	-173.1	54.9	0	0	0	0	113.4	H59 I79	H59-S81 PolarHBondContact O-N 3.12Å; H59-S81 VanDerWaalsContact O-N 3.15Å; I79-S81 PolarHBondContact O-N 3.32Å
82	I	76.8	Confident	69.1	Low	79 Å²	79	83.3 Å²	83.3	41%	0.405	43%	0.433	S	S	.	.			trans	-100.9	99.6	-176.1	-52.2	177.6	0	0	0	109.3	H59 K61	H59-I82 WeakPolarHBondContact CA-O 3.39Å; H59-I82 PolarHBondContact ND1-O 3.07Å; H59-I82 PolarHBondContact O-N 3.49Å; K61-I82 HydrophobicContact CG-CD1 3.93Å; K61-I82 HydrophobicContact CG-CG1 4.35Å
83	F	78.5	Confident	67.8	Low	34 Å²	34	86 Å²	86	15%	0.149	44%	0.442	C	S	.	.			trans	-137	137.1	175.8	-62.8	-76.1	0	0	0	110.8	A7 A41 L42 H59 P80 F85	A7-F83 HydrophobicContact CB-CD1 4.15Å; A7-F83 HydrophobicContact CB-CE1 3.82Å; A41-F83 HydrophobicContact CB-CE2 4.12Å; A41-F83 WeakPolarHBondContact O-CE2 3.27Å; L42-F83 HydrophobicContact CD2-CD1 4.48Å; L42-F83 HydrophobicContact CD2-CE1 3.57Å; L42-F83 HydrophobicContact CD2-CZ 3.79Å; L42-F83 HydrophobicContact CG-CZ 4.48Å; H59-F83 HydrophobicContact CB-CE1 4.04Å; H59-F83 HydrophobicContact CB-CZ 4.31Å; H59-F83 AromaticContact CG-CE1 3.82Å; H59-F83 AromaticContact ND1-CD1 3.56Å; H59-F83 AromaticContact ND1-CE1 3.71Å; P80-F83 HydrophobicContact CB-CE2 3.85Å; P80-F83 HydrophobicContact CB-CZ 3.65Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 HydrophobicContact CG-CZ 3.92Å; P80-F83 WeakPolarHBondContact O-CE2 3.42Å; F83-F85 HydrophobicContact CB-CD1 4.41Å; F83-F85 HydrophobicContact CB-CD2 3.88Å; F83-F85 HydrophobicContact CB-CE1 3.91Å; F83-F85 HydrophobicContact CB-CE2 3.32Å; F83-F85 HydrophobicContact CB-CG 4.39Å; F83-F85 HydrophobicContact CB-CZ 3.32Å; F83-F85 HydrophobicContact CD1-CZ 4.35Å; F83-F85 HydrophobicContact CD2-CE2 4.09Å; F83-F85 AromaticContact CD2-CZ 3.87Å; F83-F85 HydrophobicContact CD2-CZ 3.87Å; F83-F85 HydrophobicContact CG-CE1 4.32Å; F83-F85 AromaticContact CG-CE2 3.98Å; F83-F85 HydrophobicContact CG-CE2 3.98Å; F83-F85 AromaticContact CG-CZ 3.61Å; F83-F85 HydrophobicContact CG-CZ 3.61Å; F83-F85 PolarHBondContact O-N 3.37Å
84	S	67.4	Low	66	Low	92 Å²	92	85.6 Å²	85.6	64%	0.643	45%	0.452	S	S	*	.			trans	-94.7	82.6	175.4	48.6	0	0	0	0	110
85	F	70.7	Confident	64	Low	26 Å²	26	92.1 Å²	92.1	11%	0.114	48%	0.476	C	S	.	.			trans	-82.3	147.4	-179.9	-62.3	-63.2	0	0	0	112.6	A41 L42 R43 F83 L89 Q90	A41-F85 WeakPolarHBondContact O-CZ 3.43Å; L42-F85 WeakPolarHBondContact O-CE1 3.43Å; R43-F85 HydrophobicContact CB-CE1 4.07Å; R43-F85 HydrophobicContact CB-CZ 4.07Å; R43-F85 HydrophobicContact CG-CE1 4.5Å; R43-F85 HydrophobicContact CG-CE2 4.32Å; R43-F85 HydrophobicContact CG-CZ 4.02Å; F83-F85 HydrophobicContact CB-CD1 4.41Å; F83-F85 HydrophobicContact CB-CD2 3.88Å; F83-F85 HydrophobicContact CB-CE1 3.91Å; F83-F85 HydrophobicContact CB-CE2 3.32Å; F83-F85 HydrophobicContact CB-CG 4.39Å; F83-F85 HydrophobicContact CB-CZ 3.32Å; F83-F85 HydrophobicContact CD1-CZ 4.35Å; F83-F85 HydrophobicContact CD2-CE2 4.09Å; F83-F85 AromaticContact CD2-CZ 3.87Å; F83-F85 HydrophobicContact CD2-CZ 3.87Å; F83-F85 HydrophobicContact CG-CE1 4.32Å; F83-F85 AromaticContact CG-CE2 3.98Å; F83-F85 HydrophobicContact CG-CE2 3.98Å; F83-F85 AromaticContact CG-CZ 3.61Å; F83-F85 HydrophobicContact CG-CZ 3.61Å; F83-F85 PolarHBondContact O-N 3.37Å; F85-L89 HydrophobicContact CB-CB 4.07Å; F85-Q90 HydrophobicContact CB-CG 4.48Å; F85-Q90 PolarHBondContact O-NE2 3.01Å
86	P	61.7	Low	62.1	Low	44 Å²	44	97.4 Å²	97.4	29%	0.286	50%	0.496	S	S	.	.			trans	-58.3	153.2	170.2	-20.1	30.6	0	0	0	112.4	Y8 H88 L89 Q90	Y8-P86 HydrophobicContact CE1-CG 3.77Å; P86-H88 PolarHBondContact O-N 2.85Å; P86-L89 PolarHBondContact O-N 2.85Å; P86-Q90 PolarHBondContact O-N 3.39Å
87	V	59.7	Low	60.7	Low	124 Å²	124	99.1 Å²	99.1	75%	0.752	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-49.8	-36.4	-172	-178.7	0	0	0	0	113.7	L89 Q90	V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 2.92Å; V87-Q90 PolarHBondContact O-N 3.36Å
88	H	61	Low	59.6	Low	149 Å²	149	97.6 Å²	97.6	69%	0.69	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-75.3	-11.6	179.8	68.4	-84.5	0	0	0	115	P86	P86-H88 PolarHBondContact O-N 2.85Å
89	L	56.3	Low	58.1	Low	55 Å²	55	104.3 Å²	104.3	29%	0.288	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-109.5	0.1	175.9	-70	171.4	0	0	0	112.7	R43 F85 P86 V87	R43-L89 PolarHBondContact NH1-O 3.42Å; F85-L89 HydrophobicContact CB-CB 4.07Å; P86-L89 PolarHBondContact O-N 2.85Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 2.92Å
90	Q	59	Low	56.2	Low	110 Å²	110	106.5 Å²	106.5	51%	0.514	54%	0.543	S	S	.	.	S	Bend	trans	-74.5	134.5	174.1	-68.9	178.8	5.1	0	0	109.8	F85 P86 V87 V92	F85-Q90 HydrophobicContact CB-CG 4.48Å; F85-Q90 PolarHBondContact O-NE2 3.01Å; P86-Q90 PolarHBondContact O-N 3.39Å; V87-Q90 PolarHBondContact O-N 3.36Å; Q90-V92 PolarHBondContact O-N 3.33Å
91	R	48.6	Very low	54.2	Low	195 Å²	195	108.7 Å²	108.7	74%	0.736	56%	0.559	S	S	*	*			trans	-69	123.7	177.4	-127.3	-176.3	-176.5	177.6	-1.2	107.6	E93	R91-E93 PolarHBondContact O-N 2.51Å; R91-E93 VanDerWaalsContact O-N 3.07Å
92	V	48.9	Very low	52.6	Low	124 Å²	124	109.6 Å²	109.6	75%	0.752	56%	0.562	S	S	*	*			trans	-72.2	100.7	169.9	-178	0	0	0	0	107.8	Q90 N94	Q90-V92 PolarHBondContact O-N 3.33Å; V92-N94 PolarHBondContact O-N 3.07Å
93	E	42.1	Very low	51.1	Low	113 Å²	113	113 Å²	113	53%	0.528	57%	0.574	S	S	.	*			trans	-80.6	104.4	170.2	-73.3	-169.7	172.7	0	0	109	R91 Y95	R91-E93 PolarHBondContact O-N 2.51Å; R91-E93 VanDerWaalsContact O-N 3.07Å; E93-Y95 HydrophobicContact CB-CD1 4.44Å; E93-Y95 HydrophobicContact CB-CE1 3.72Å; E93-Y95 HydrophobicContact CB-CE2 3.84Å; E93-Y95 WeakPolarHBondContact CB-OH 3.36Å; E93-Y95 WeakPolarHBondContact O-CD2 3.16Å; E93-Y95 WeakPolarHBondContact O-CE2 3.45Å; E93-Y95 PolarHBondContact O-N 3.11Å; E93-Y95 VanDerWaalsContact O-N 3.1Å; E93-Y95 WeakPolarHBondContact OE2-CE1 3.41Å; E93-Y95 PolarHBondContact OE2-OH 3.17Å
94	N	40.3	Very low	49.3	Very low	150 Å²	150	114.7 Å²	114.7	80%	0.802	59%	0.593	S	S	*	*			trans	-76.6	91.3	171.5	-74.1	-30.5	0	0	0	109.5	V92 R96	V92-N94 PolarHBondContact O-N 3.07Å; N94-R96 PolarHBondContact O-N 3.48Å
95	Y	39.3	Very low	48.2	Very low	170 Å²	170	117.7 Å²	117.7	67%	0.667	60%	0.597	S	S	*	*			trans	-76.1	106.7	169.6	-44	-77.9	0	0	0	109.6	E93 T97	E93-Y95 HydrophobicContact CB-CD1 4.44Å; E93-Y95 HydrophobicContact CB-CE1 3.72Å; E93-Y95 HydrophobicContact CB-CE2 3.84Å; E93-Y95 WeakPolarHBondContact CB-OH 3.36Å; E93-Y95 WeakPolarHBondContact O-CD2 3.16Å; E93-Y95 WeakPolarHBondContact O-CE2 3.45Å; E93-Y95 PolarHBondContact O-N 3.11Å; E93-Y95 VanDerWaalsContact O-N 3.1Å; E93-Y95 WeakPolarHBondContact OE2-CE1 3.41Å; E93-Y95 PolarHBondContact OE2-OH 3.17Å; Y95-T97 PolarHBondContact O-N 3.35Å
96	R	40.1	Very low	46.7	Very low	233 Å²	233	120.6 Å²	120.6	88%	0.879	62%	0.621	S	S	*	*			trans	-80.2	92	153.4	-82	-176	176.6	175	0.7	107.5	N94 T98	N94-R96 PolarHBondContact O-N 3.48Å; R96-T98 VanDerWaalsContact C-N 3.34Å; R96-T98 PolarHBondContact O-N 3.1Å
97	T	35.5	Very low	46	Very low	114 Å²	114	125.2 Å²	125.2	70%	0.699	64%	0.643	S	S	*	*			trans	-78.5	86	174.7	-6.3	0	0	0	0	109.1	Y95	Y95-T97 PolarHBondContact O-N 3.35Å
98	T	47.2	Very low	44.8	Very low	85 Å²	85	126.8 Å²	126.8	52%	0.521	65%	0.647	S	S	.	*			trans	-82	140.3	159	42.6	0	0	0	0	108.6	R96 T100 S101	R96-T98 VanDerWaalsContact C-N 3.34Å; R96-T98 PolarHBondContact O-N 3.1Å; T98-T100 PolarHBondContact O-N 3.31Å; T98-S101 PolarHBondContact O-N 3.33Å; T98-S101 PolarHBondContact O-OG 3.13Å
99	I	46.7	Very low	43.6	Very low	156 Å²	156	127.9 Å²	127.9	80%	0.8	65%	0.652	S	S	*	*	H	α-helix	trans	-53.3	-20.2	-177.8	-67.2	166.4	0	0	0	112.7	T102	I99-T102 PolarHBondContact O-OG1 3.2Å
100	T	40.7	Very low	42.6	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	68%	0.68	S	S	*	*	H	α-helix	trans	-66.4	-30.3	173	6.9	0	0	0	0	114.5	T98	T98-T100 PolarHBondContact O-N 3.31Å
101	S	41.4	Very low	41.5	Very low	50 Å²	50	134.8 Å²	134.8	35%	0.35	69%	0.694	S	S	.	*	H	α-helix	trans	-74	-33.3	-178.2	77.3	0	0	0	0	112.8	T98 K103 A104 Q105	T98-S101 PolarHBondContact O-N 3.33Å; T98-S101 PolarHBondContact O-OG 3.13Å; S101-K103 VanDerWaalsContact C-N 3.27Å; S101-K103 PolarHBondContact O-N 2.77Å; S101-A104 PolarHBondContact O-N 3.44Å; S101-A104 VanDerWaalsContact O-N 3.13Å; S101-Q105 PolarHBondContact O-N 3.32Å
102	T	41.8	Very low	40.9	Very low	90 Å²	90	130.8 Å²	130.8	55%	0.552	70%	0.696	S	S	*	*	H	α-helix	trans	-66.7	-26.7	178.5	-6.4	0	0	0	0	113	I99	I99-T102 PolarHBondContact O-OG1 3.2Å
103	K	46.5	Very low	40.7	Very low	151 Å²	151	132.1 Å²	132.1	66%	0.657	70%	0.699	S	S	*	*	H	α-helix	trans	-81.2	-21.5	174.2	-102.4	177.8	178.5	167.8	0	113.6	S101 S106	S101-K103 VanDerWaalsContact C-N 3.27Å; S101-K103 PolarHBondContact O-N 2.77Å; K103-S106 PolarHBondContact O-OG 2.89Å
104	A	40.3	Very low	40.5	Very low	68 Å²	68	134.4 Å²	134.4	56%	0.562	72%	0.715	S	S	*	*	H	α-helix	trans	-80.7	-30.3	178	0	0	0	0	0	112.1	S101 S106	S101-A104 PolarHBondContact O-N 3.44Å; S101-A104 VanDerWaalsContact O-N 3.13Å; A104-S106 VanDerWaalsContact C-N 3.35Å; A104-S106 PolarHBondContact O-N 3.28Å
105	Q	44.6	Very low	40.6	Very low	156 Å²	156	134 Å²	134	73%	0.729	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-20.3	179.1	-78.9	-179.3	-25.9	0	0	114.3	S101	S101-Q105 PolarHBondContact O-N 3.32Å
106	S	40	Very low	40.9	Very low	87 Å²	87	133.9 Å²	133.9	61%	0.608	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-2	-177.2	66.3	0	0	0	0	115	K103 A104	K103-S106 PolarHBondContact O-OG 2.89Å; A104-S106 VanDerWaalsContact C-N 3.35Å; A104-S106 PolarHBondContact O-N 3.28Å
107	N	45.8	Very low	41.3	Very low	140 Å²	140	128.9 Å²	128.9	75%	0.749	72%	0.718	S	S	*	*			trans	-134.3	38.4	-170	-99.5	13.3	0	0	0	114.5	Q109	N107-Q109 PolarHBondContact O-N 2.89Å; N107-Q109 VanDerWaalsContact O-N 3.11Å
108	L	34.9	Very low	42	Very low	158 Å²	158	134.2 Å²	134.2	83%	0.827	73%	0.727	S	S	*	*			trans	-82	83.2	171.5	-77.2	153.6	0	0	0	110.8
109	Q	35.5	Very low	42.1	Very low	172 Å²	172	133.7 Å²	133.7	80%	0.804	73%	0.731	S	S	*	*			trans	-102.7	140.8	148	-83.9	-176.6	-17.7	0	0	108.1	N107 Q111	N107-Q109 PolarHBondContact O-N 2.89Å; N107-Q109 VanDerWaalsContact O-N 3.11Å; Q109-Q111 PolarHBondContact O-N 3.03Å
110	P	35.3	Very low	42.5	Very low	134 Å²	134	133.4 Å²	133.4	87%	0.87	73%	0.73	S	S	*	*			trans	-69.8	114.5	-178.2	27.9	-31.1	0	0	0	109.4
111	Q	36.7	Very low	43.3	Very low	175 Å²	175	131.1 Å²	131.1	82%	0.818	72%	0.717	S	S	*	*			trans	-106.7	135.5	160.6	-71.1	-158.4	-48	0	0	108.8	Q109	Q109-Q111 PolarHBondContact O-N 3.03Å
112	S	36	Very low	44.2	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	75%	0.747	S	S	*	*			trans	-54.6	138.6	179.1	47	0	0	0	0	112.2	D114	S112-D114 PolarHBondContact O-N 3.38Å
113	N	43.8	Very low	45.5	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	74%	0.738	S	S	*	*			trans	-54.8	114.5	171.7	-76.5	-15	0	0	0	110.9
114	D	37.7	Very low	46.7	Very low	160 Å²	160	132.1 Å²	132.1	86%	0.856	74%	0.742	S	S	*	*			trans	-136.7	85.4	153	-94.5	-27.2	0	0	0	107.6	S112 H116	S112-D114 PolarHBondContact O-N 3.38Å; D114-H116 PolarHBondContact O-N 3.23Å
115	D	42.3	Very low	48.4	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	75%	0.745	S	S	*	*			trans	-77.2	93.2	168.7	-94.2	-28.3	0	0	0	108.1
116	H	46.4	Very low	49.7	Very low	168 Å²	168	128.5 Å²	128.5	78%	0.778	73%	0.728	S	S	*	*			trans	-168.9	119.7	149.1	-76.6	-42	0	0	0	110.7	D114 Y118 A119	D114-H116 PolarHBondContact O-N 3.23Å; H116-Y118 PolarHBondContact O-N 3.01Å; H116-A119 PolarHBondContact O-N 3.43Å
117	C	47.9	Very low	51.4	Low	129 Å²	129	127.3 Å²	127.3	87%	0.872	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	9.7	-172.6	-158.7	0	0	0	0	115.6
118	Y	50.2	Low	53.1	Low	226 Å²	226	124.3 Å²	124.3	89%	0.886	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	1.7	177.7	-63.2	-79.8	0	0	0	113.8	H116 L120	H116-Y118 PolarHBondContact O-N 3.01Å; Y118-L120 PolarHBondContact O-N 3.37Å
119	A	50.3	Low	55.3	Low	74 Å²	74	118.5 Å²	118.5	61%	0.612	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.9	174.9	0	0	0	0	0	109.7	H116	H116-A119 PolarHBondContact O-N 3.43Å
120	L	53.8	Low	57.5	Low	150 Å²	150	117.4 Å²	117.4	79%	0.785	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-60.8	128.6	164.5	-80.1	164.6	0	0	0	107.6	Y118 A122 I127	Y118-L120 PolarHBondContact O-N 3.37Å; L120-A122 PolarHBondContact O-N 3.45Å; L120-I127 HydrophobicContact CD2-CD1 4.32Å
121	P	57.6	Low	59.7	Low	61 Å²	61	116.5 Å²	116.5	40%	0.396	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-53.5	136.6	176.9	-25.7	33.1	0	0	0	110.5	S123 A126 I127	P121-S123 PolarHBondContact O-N 3.01Å; P121-A126 HydrophobicContact CB-CB 4.09Å; P121-I127 HydrophobicContact CB-CD1 4.44Å; P121-I127 HydrophobicContact CB-CG1 3.86Å; P121-I127 HydrophobicContact CG-CD1 4.23Å; P121-I127 HydrophobicContact CG-CG1 3.55Å
122	A	59.8	Low	62.2	Low	119 Å²	119	115.7 Å²	115.7	98%	0.983	65%	0.646	S	S	*	*	S	Bend	trans	-59.1	-8.4	-174.9	0	0	0	0	0	114.7	L120	L120-A122 PolarHBondContact O-N 3.45Å
123	S	70.9	Confident	64.7	Low	50 Å²	50	118.8 Å²	118.8	35%	0.35	64%	0.641	S	S	.	*			trans	-135.7	139.2	173.6	88	0	0	0	0	113.7	P121 T125 A126	P121-S123 PolarHBondContact O-N 3.01Å; S123-T125 PolarHBondContact O-N 3.19Å; S123-T125 PolarHBondContact OG-OG1 3.01Å; S123-A126 PolarHBondContact O-N 3.41Å; S123-A126 VanDerWaalsContact O-N 3.12Å; S123-A126 PolarHBondContact OG-N 3.14Å
124	L	69.9	Low	66.6	Low	142 Å²	142	114 Å²	114	74%	0.743	62%	0.623	S	S	*	*	H	α-helix	trans	-59.1	-26.4	174.2	-162.7	71.2	0	0	0	112.4	T128	L124-T128 PolarHBondContact O-N 2.74Å; L124-T128 VanDerWaalsContact O-N 3.12Å; L124-T128 PolarHBondContact O-OG1 3.31Å
125	T	76.8	Confident	69.1	Low	102 Å²	102	110.6 Å²	110.6	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-71	-34.9	176.7	46.8	0	0	0	0	113	S123 T128 A129	S123-T125 PolarHBondContact O-N 3.19Å; S123-T125 PolarHBondContact OG-OG1 3.01Å; T125-T128 VanDerWaalsContact CA-OG1 3.29Å; T125-T128 WeakPolarHBondContact CA-OG1 3.43Å; T125-T128 PolarHBondContact O-OG1 3.19Å; T125-A129 VanDerWaalsContact O-CB 3.31Å; T125-A129 WeakPolarHBondContact O-CB 3.36Å; T125-A129 PolarHBondContact O-N 3.12Å
126	A	73	Confident	71.5	Confident	46 Å²	46	106.6 Å²	106.6	38%	0.38	59%	0.59	S	S	.	*	H	α-helix	trans	-69.9	-38.2	176.2	0	0	0	0	0	111.8	P121 S123 K130	P121-A126 HydrophobicContact CB-CB 4.09Å; S123-A126 PolarHBondContact O-N 3.41Å; S123-A126 VanDerWaalsContact O-N 3.12Å; S123-A126 PolarHBondContact OG-N 3.14Å; A126-K130 WeakPolarHBondContact O-CB 3.47Å; A126-K130 PolarHBondContact O-N 3.36Å
127	I	74.6	Confident	73.6	Confident	63 Å²	63	105 Å²	105	32%	0.323	58%	0.578	S	S	.	*	H	α-helix	trans	-65.5	-48.8	176	-61.3	171.3	0	0	0	110.6	L120 P121 A129 K130 H131	L120-I127 HydrophobicContact CD2-CD1 4.32Å; P121-I127 HydrophobicContact CB-CD1 4.44Å; P121-I127 HydrophobicContact CB-CG1 3.86Å; P121-I127 HydrophobicContact CG-CD1 4.23Å; P121-I127 HydrophobicContact CG-CG1 3.55Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.19Å; I127-K130 PolarHBondContact O-N 3.05Å; I127-H131 WeakPolarHBondContact O-CB 3.46Å; I127-H131 PolarHBondContact O-N 3.24Å
128	T	81.3	Confident	75.5	Confident	77 Å²	77	102.4 Å²	102.4	47%	0.472	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-36.2	178.2	34.3	0	0	0	0	112.4	L124 T125 H131 K132	L124-T128 PolarHBondContact O-N 2.74Å; L124-T128 VanDerWaalsContact O-N 3.12Å; L124-T128 PolarHBondContact O-OG1 3.31Å; T125-T128 VanDerWaalsContact CA-OG1 3.29Å; T125-T128 WeakPolarHBondContact CA-OG1 3.43Å; T125-T128 PolarHBondContact O-OG1 3.19Å; T128-H131 PolarHBondContact O-N 3.46Å; T128-K132 WeakPolarHBondContact O-CB 3.29Å; T128-K132 PolarHBondContact O-N 3.45Å
129	A	82.6	Confident	77.4	Confident	35 Å²	35	96.8 Å²	96.8	29%	0.289	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-42.7	173	0	0	0	0	0	112.3	T125 I127 K132 R133	T125-A129 VanDerWaalsContact O-CB 3.31Å; T125-A129 WeakPolarHBondContact O-CB 3.36Å; T125-A129 PolarHBondContact O-N 3.12Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.19Å; A129-K132 PolarHBondContact O-N 2.86Å; A129-R133 WeakPolarHBondContact O-CG 3.36Å; A129-R133 PolarHBondContact O-N 2.9Å
130	K	80.7	Confident	79.4	Confident	150 Å²	150	99.7 Å²	99.7	65%	0.652	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-41.1	176.1	-166.8	175.1	-179	178.1	0	111.5	A126 I127 R133 A134	A126-K130 WeakPolarHBondContact O-CB 3.47Å; A126-K130 PolarHBondContact O-N 3.36Å; I127-K130 PolarHBondContact O-N 3.05Å; K130-R133 PolarHBondContact O-N 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.03Å
131	H	82.5	Confident	81	Confident	114 Å²	114	96.5 Å²	96.5	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-46.4	174.9	-173.8	-99.8	0	0	0	111.9	I127 T128 R133 A134 L135	I127-H131 WeakPolarHBondContact O-CB 3.46Å; I127-H131 PolarHBondContact O-N 3.24Å; T128-H131 PolarHBondContact O-N 3.46Å; H131-R133 PolarHBondContact O-N 3.42Å; H131-A134 PolarHBondContact O-N 3.13Å; H131-L135 WeakPolarHBondContact CE1-CD1 3.49Å; H131-L135 WeakPolarHBondContact O-CG 3.31Å; H131-L135 PolarHBondContact O-N 3.49Å
132	K	88.9	Confident	82.3	Confident	158 Å²	158	99.3 Å²	99.3	69%	0.687	53%	0.526	S	S	*	.	H	α-helix	trans	-60	-42.1	174.7	-85.7	-173.8	174.9	-178.5	0	112.7	T128 A129 A134 L135 A136	T128-K132 WeakPolarHBondContact O-CB 3.29Å; T128-K132 PolarHBondContact O-N 3.45Å; A129-K132 PolarHBondContact O-N 2.86Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-L135 PolarHBondContact O-N 3.05Å; K132-A136 WeakPolarHBondContact O-CB 3.44Å; K132-A136 PolarHBondContact O-N 3.31Å
133	R	87.6	Confident	83.7	Confident	177 Å²	177	101.2 Å²	101.2	67%	0.668	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-40.1	175.1	-71.1	-179.9	-149.6	155	5.1	111.9	A129 K130 H131 R137	A129-R133 WeakPolarHBondContact O-CG 3.36Å; A129-R133 PolarHBondContact O-N 2.9Å; K130-R133 PolarHBondContact O-N 3.26Å; H131-R133 PolarHBondContact O-N 3.42Å; R133-R137 WeakPolarHBondContact O-CB 3.35Å; R133-R137 PolarHBondContact O-N 2.97Å
134	A	83.9	Confident	84.4	Confident	53 Å²	53	102.1 Å²	102.1	44%	0.438	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-44.9	176.7	0	0	0	0	0	111.4	K130 H131 K132 R137 V138	K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.03Å; H131-A134 PolarHBondContact O-N 3.13Å; K132-A134 VanDerWaalsContact C-N 3.34Å; A134-R137 WeakPolarHBondContact O-CB 3.34Å; A134-R137 PolarHBondContact O-N 3.1Å; A134-V138 WeakPolarHBondContact O-CG2 3.48Å; A134-V138 PolarHBondContact O-N 3.21Å
135	L	91	Very high	84.9	Confident	87 Å²	87	100.2 Å²	100.2	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-59.5	-48.1	175	-76.1	174.1	0	0	0	112.1	H131 K132 R137 V138 E139	H131-L135 WeakPolarHBondContact CE1-CD1 3.49Å; H131-L135 WeakPolarHBondContact O-CG 3.31Å; H131-L135 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 3.05Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 2.96Å; L135-V138 WeakPolarHBondContact O-CB 3.24Å; L135-V138 PolarHBondContact O-N 2.98Å; L135-V138 VanDerWaalsContact O-N 3.1Å; L135-E139 PolarHBondContact O-N 2.96Å
136	A	91.2	Very high	85.3	Confident	57 Å²	57	102.4 Å²	102.4	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-35.6	177.1	0	0	0	0	0	112.3	K132 Y140	K132-A136 WeakPolarHBondContact O-CB 3.44Å; K132-A136 PolarHBondContact O-N 3.31Å; A136-Y140 WeakPolarHBondContact O-CB 3.37Å; A136-Y140 PolarHBondContact O-N 3.42Å
137	R	90.3	Very high	85.8	Confident	136 Å²	136	104.6 Å²	104.6	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-42.5	174.3	-172.5	79.9	179.8	164.4	8.3	111.4	R133 A134 L135 Y140 L141	R133-R137 WeakPolarHBondContact O-CB 3.35Å; R133-R137 PolarHBondContact O-N 2.97Å; A134-R137 WeakPolarHBondContact O-CB 3.34Å; A134-R137 PolarHBondContact O-N 3.1Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 2.96Å; R137-Y140 PolarHBondContact O-N 3.31Å; R137-L141 HydrophobicContact CG-CD1 4.15Å; R137-L141 WeakPolarHBondContact O-CB 3.49Å; R137-L141 VanDerWaalsContact O-CG 3.24Å; R137-L141 WeakPolarHBondContact O-CG 3.45Å; R137-L141 PolarHBondContact O-N 2.9Å
138	V	88	Confident	86.1	Confident	74 Å²	74	104.7 Å²	104.7	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-50	177.4	171.6	0	0	0	0	110.2	A134 L135 Y140 L141 E142	A134-V138 WeakPolarHBondContact O-CG2 3.48Å; A134-V138 PolarHBondContact O-N 3.21Å; L135-V138 WeakPolarHBondContact O-CB 3.24Å; L135-V138 PolarHBondContact O-N 2.98Å; L135-V138 VanDerWaalsContact O-N 3.1Å; V138-Y140 VanDerWaalsContact C-N 3.31Å; V138-Y140 PolarHBondContact O-N 2.87Å; V138-L141 PolarHBondContact O-N 2.85Å; V138-L141 VanDerWaalsContact O-N 3.13Å; V138-E142 HydrophobicContact CG1-CG 4.42Å; V138-E142 WeakPolarHBondContact O-CG 3.5Å; V138-E142 PolarHBondContact O-N 3.12Å
139	E	90.8	Very high	85.7	Confident	107 Å²	107	105.6 Å²	105.6	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-40.9	177.9	-75.4	-173.8	-171.4	0	0	113	L135 E142 R143	L135-E139 PolarHBondContact O-N 2.96Å; E139-E142 PolarHBondContact O-N 3.39Å; E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 VanDerWaalsContact O-N 3.08Å; E139-R143 IonicContact OE2-NH1 2.85Å
140	Y	93.1	Very high	85.5	Confident	135 Å²	135	105.8 Å²	105.8	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-47.5	175.6	171.9	-95.2	0	0	0	111.6	A136 R137 V138 E142 R143 D144	A136-Y140 WeakPolarHBondContact O-CB 3.37Å; A136-Y140 PolarHBondContact O-N 3.42Å; R137-Y140 PolarHBondContact O-N 3.31Å; V138-Y140 VanDerWaalsContact C-N 3.31Å; V138-Y140 PolarHBondContact O-N 2.87Å; Y140-E142 VanDerWaalsContact C-N 3.3Å; Y140-E142 PolarHBondContact O-N 3.18Å; Y140-R143 PolarHBondContact O-N 2.94Å; Y140-D144 WeakPolarHBondContact O-CB 3.38Å; Y140-D144 PolarHBondContact O-N 3.39Å
141	L	87.3	Confident	85.5	Confident	84 Å²	84	106.5 Å²	106.5	44%	0.44	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-35	179.9	-71.3	170.6	0	0	0	112	R137 V138 K145	R137-L141 HydrophobicContact CG-CD1 4.15Å; R137-L141 WeakPolarHBondContact O-CB 3.49Å; R137-L141 VanDerWaalsContact O-CG 3.24Å; R137-L141 WeakPolarHBondContact O-CG 3.45Å; R137-L141 PolarHBondContact O-N 2.9Å; V138-L141 PolarHBondContact O-N 2.85Å; V138-L141 VanDerWaalsContact O-N 3.13Å; L141-K145 VanDerWaalsContact O-CB 3.25Å; L141-K145 WeakPolarHBondContact O-CB 3.43Å; L141-K145 PolarHBondContact O-N 2.96Å
142	E	85.2	Confident	85	Confident	119 Å²	119	106 Å²	106	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-65.7	-42.4	174.3	-73.9	-177	168.2	0	0	112.4	V138 E139 Y140 K146	V138-E142 HydrophobicContact CG1-CG 4.42Å; V138-E142 WeakPolarHBondContact O-CG 3.5Å; V138-E142 PolarHBondContact O-N 3.12Å; E139-E142 PolarHBondContact O-N 3.39Å; Y140-E142 VanDerWaalsContact C-N 3.3Å; Y140-E142 PolarHBondContact O-N 3.18Å; E142-K146 PolarHBondContact O-N 3.21Å; E142-K146 VanDerWaalsContact O-N 3.11Å
143	R	88.3	Confident	84.3	Confident	160 Å²	160	106 Å²	106	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-64.2	-46.8	174	-77.5	-174.9	179.1	106.4	-3.4	111.8	E139 Y140 K145 K146 N147	E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 VanDerWaalsContact O-N 3.08Å; E139-R143 IonicContact OE2-NH1 2.85Å; Y140-R143 PolarHBondContact O-N 2.94Å; R143-K145 VanDerWaalsContact C-N 3.33Å; R143-K145 PolarHBondContact O-N 3.34Å; R143-K146 PolarHBondContact O-N 2.7Å; R143-N147 PolarHBondContact O-N 2.91Å
144	D	86.5	Confident	84	Confident	69 Å²	69	104.8 Å²	104.8	37%	0.369	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-45.3	179	-171.2	52.3	0	0	0	111	Y140 K146 N147 T148	Y140-D144 WeakPolarHBondContact O-CB 3.38Å; Y140-D144 PolarHBondContact O-N 3.39Å; D144-K146 PolarHBondContact O-N 3.48Å; D144-N147 WeakPolarHBondContact O-CB 3.4Å; D144-N147 PolarHBondContact O-N 3.36Å; D144-N147 VanDerWaalsContact O-N 3.11Å; D144-T148 PolarHBondContact O-N 3.1Å; D144-T148 PolarHBondContact O-OG1 3.2Å
145	K	80.6	Confident	83.6	Confident	101 Å²	101	105.1 Å²	105.1	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-54.6	-49.7	174	-177.1	-172.4	172	-174.2	0	112.1	L141 R143 N147 T148 M149	L141-K145 VanDerWaalsContact O-CB 3.25Å; L141-K145 WeakPolarHBondContact O-CB 3.43Å; L141-K145 PolarHBondContact O-N 2.96Å; R143-K145 VanDerWaalsContact C-N 3.33Å; R143-K145 PolarHBondContact O-N 3.34Å; K145-N147 VanDerWaalsContact C-N 3.3Å; K145-N147 PolarHBondContact O-N 3.38Å; K145-T148 VanDerWaalsContact CA-OG1 3.27Å; K145-T148 WeakPolarHBondContact CA-OG1 3.41Å; K145-T148 PolarHBondContact O-N 3.44Å; K145-T148 PolarHBondContact O-OG1 3.42Å; K145-M149 HydrophobicContact CG-CE 4.14Å; K145-M149 HydrophobicContact CG-SD 4.45Å; K145-M149 WeakPolarHBondContact O-CG 3.29Å; K145-M149 PolarHBondContact O-N 3Å
146	K	83.2	Confident	82.8	Confident	148 Å²	148	106.2 Å²	106.2	64%	0.643	50%	0.502	S	S	*	.	H	α-helix	trans	-57.2	-43.7	177.1	-81.7	-177.4	177.6	177.1	0	111.5	E142 R143 D144 M149 A150	E142-K146 PolarHBondContact O-N 3.21Å; E142-K146 VanDerWaalsContact O-N 3.11Å; R143-K146 PolarHBondContact O-N 2.7Å; D144-K146 PolarHBondContact O-N 3.48Å; K146-M149 HydrophobicContact CG-CE 4.26Å; K146-M149 PolarHBondContact O-N 3.37Å; K146-A150 PolarHBondContact O-N 3.01Å
147	N	85.2	Confident	82.2	Confident	92 Å²	92	107.6 Å²	107.6	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-43	178.5	-70.7	-21.2	0	0	0	112.4	R143 D144 K145 A150 R151	R143-N147 PolarHBondContact O-N 2.91Å; D144-N147 WeakPolarHBondContact O-CB 3.4Å; D144-N147 PolarHBondContact O-N 3.36Å; D144-N147 VanDerWaalsContact O-N 3.11Å; K145-N147 VanDerWaalsContact C-N 3.3Å; K145-N147 PolarHBondContact O-N 3.38Å; N147-A150 PolarHBondContact O-N 3.39Å; N147-R151 WeakPolarHBondContact O-CG 3.27Å; N147-R151 PolarHBondContact O-N 2.94Å
148	T	79.9	Confident	81.8	Confident	66 Å²	66	105 Å²	105	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-43	174.3	32.1	0	0	0	0	112.6	D144 K145 A150 R151 E152	D144-T148 PolarHBondContact O-N 3.1Å; D144-T148 PolarHBondContact O-OG1 3.2Å; K145-T148 VanDerWaalsContact CA-OG1 3.27Å; K145-T148 WeakPolarHBondContact CA-OG1 3.41Å; K145-T148 PolarHBondContact O-N 3.44Å; K145-T148 PolarHBondContact O-OG1 3.42Å; T148-A150 VanDerWaalsContact C-N 3.33Å; T148-A150 PolarHBondContact O-N 2.91Å; T148-R151 PolarHBondContact O-N 3.39Å; T148-E152 PolarHBondContact O-N 2.94Å
149	M	74	Confident	81.3	Confident	95 Å²	95	103.9 Å²	103.9	47%	0.468	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-40.8	176.4	-71.8	-173.1	-59	0	0	111.7	K145 K146 E152 K153	K145-M149 HydrophobicContact CG-CE 4.14Å; K145-M149 HydrophobicContact CG-SD 4.45Å; K145-M149 WeakPolarHBondContact O-CG 3.29Å; K145-M149 PolarHBondContact O-N 3Å; K146-M149 HydrophobicContact CG-CE 4.26Å; K146-M149 PolarHBondContact O-N 3.37Å; M149-E152 PolarHBondContact O-N 3.29Å; M149-K153 WeakPolarHBondContact O-CB 3.25Å; M149-K153 PolarHBondContact O-N 3.4Å
150	A	78.4	Confident	80.7	Confident	40 Å²	40	106.3 Å²	106.3	33%	0.331	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-38	176.1	0	0	0	0	0	112.5	K146 N147 T148 R154	K146-A150 PolarHBondContact O-N 3.01Å; N147-A150 PolarHBondContact O-N 3.39Å; T148-A150 VanDerWaalsContact C-N 3.33Å; T148-A150 PolarHBondContact O-N 2.91Å; A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 3.11Å; A150-R154 VanDerWaalsContact O-N 3.1Å; A150-R154 PolarHBondContact O-NE 3.08Å
151	R	79.1	Confident	80.1	Confident	165 Å²	165	102.9 Å²	102.9	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-45.5	173.6	-72.6	175.1	-176.7	173.3	2	111.7	N147 T148 R154 A155	N147-R151 WeakPolarHBondContact O-CG 3.27Å; N147-R151 PolarHBondContact O-N 2.94Å; T148-R151 PolarHBondContact O-N 3.39Å; R151-R154 PolarHBondContact O-N 2.82Å; R151-A155 PolarHBondContact O-N 2.91Å
152	E	72.5	Confident	79.7	Confident	104 Å²	104	103.1 Å²	103.1	49%	0.486	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-44.6	177.8	-168.2	-167.7	153.4	0	0	111.6	T148 M149 R154 A155 K156	T148-E152 PolarHBondContact O-N 2.94Å; M149-E152 PolarHBondContact O-N 3.29Å; E152-R154 PolarHBondContact O-N 3.39Å; E152-A155 PolarHBondContact O-N 3.47Å; E152-K156 HydrophobicContact CG-CD 4.47Å; E152-K156 PolarHBondContact O-N 3.11Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.41Å; E152-K156 IonicContact OE1-NZ 3.14Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å
153	K	75.1	Confident	79.3	Confident	157 Å²	157	101.6 Å²	101.6	68%	0.683	50%	0.504	S	S	*	.	H	α-helix	trans	-58.5	-47	176.7	-171.4	175.2	-179.2	178.5	0	111.2	M149 A155 K156 T157	M149-K153 WeakPolarHBondContact O-CB 3.25Å; M149-K153 PolarHBondContact O-N 3.4Å; K153-A155 PolarHBondContact O-N 3.23Å; K153-K156 PolarHBondContact O-N 3.41Å; K153-T157 PolarHBondContact O-N 3.07Å; K153-T157 PolarHBondContact O-OG1 3.38Å
154	R	80.3	Confident	78.6	Confident	152 Å²	152	95.4 Å²	95.4	57%	0.574	49%	0.49	S	S	*	.	H	α-helix	trans	-60	-44.4	175.7	-76.6	-176.3	-72.4	-125.7	-2.1	112.3	A150 R151 E152 T157 T158	A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 3.11Å; A150-R154 VanDerWaalsContact O-N 3.1Å; A150-R154 PolarHBondContact O-NE 3.08Å; R151-R154 PolarHBondContact O-N 2.82Å; E152-R154 PolarHBondContact O-N 3.39Å; R154-T157 PolarHBondContact O-N 3.11Å; R154-T158 WeakPolarHBondContact O-CB 3.31Å; R154-T158 PolarHBondContact O-N 2.93Å; R154-T158 PolarHBondContact O-OG1 3.44Å
155	A	76.4	Confident	78.2	Confident	60 Å²	60	95.8 Å²	95.8	50%	0.496	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-42.5	177.7	0	0	0	0	0	112	R151 E152 K153 T158 A159	R151-A155 PolarHBondContact O-N 2.91Å; E152-A155 PolarHBondContact O-N 3.47Å; K153-A155 PolarHBondContact O-N 3.23Å; A155-T158 PolarHBondContact O-N 3.41Å; A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 2.88Å
156	K	74.4	Confident	77.9	Confident	110 Å²	110	94.6 Å²	94.6	48%	0.478	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-46.2	174.9	-80	176.6	169.1	166.4	0	112.2	E152 K153 T158 A159 K160	E152-K156 HydrophobicContact CG-CD 4.47Å; E152-K156 PolarHBondContact O-N 3.11Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.41Å; E152-K156 IonicContact OE1-NZ 3.14Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å; K153-K156 PolarHBondContact O-N 3.41Å; K156-T158 VanDerWaalsContact C-N 3.34Å; K156-T158 PolarHBondContact O-N 3.49Å; K156-A159 PolarHBondContact O-N 3.43Å; K156-K160 WeakPolarHBondContact O-CB 3.49Å; K156-K160 WeakPolarHBondContact O-CG 3.24Å; K156-K160 PolarHBondContact O-N 3.41Å
157	T	78.6	Confident	77.3	Confident	86 Å²	86	90.8 Å²	90.8	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.1	-51.3	0	0	0	0	111.2	K153 R154 K160 S161	K153-T157 PolarHBondContact O-N 3.07Å; K153-T157 PolarHBondContact O-OG1 3.38Å; R154-T157 PolarHBondContact O-N 3.11Å; T157-K160 PolarHBondContact O-N 3.42Å; T157-S161 WeakPolarHBondContact O-CB 3.44Å; T157-S161 PolarHBondContact O-N 3.44Å
158	T	80.6	Confident	76.9	Confident	80 Å²	80	94.1 Å²	94.1	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-45.6	177.9	-50.7	0	0	0	0	111	R154 A155 K156 K160 S161 L162	R154-T158 WeakPolarHBondContact O-CB 3.31Å; R154-T158 PolarHBondContact O-N 2.93Å; R154-T158 PolarHBondContact O-OG1 3.44Å; A155-T158 PolarHBondContact O-N 3.41Å; K156-T158 VanDerWaalsContact C-N 3.34Å; K156-T158 PolarHBondContact O-N 3.49Å; T158-K160 PolarHBondContact O-N 2.9Å; T158-S161 WeakPolarHBondContact O-CB 3.46Å; T158-S161 PolarHBondContact O-N 2.88Å; T158-L162 HydrophobicContact CG2-CD1 4.01Å; T158-L162 HydrophobicContact CG2-CG 4.44Å; T158-L162 WeakPolarHBondContact O-CB 3.45Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.41Å; T158-L162 PolarHBondContact O-N 3.29Å
159	A	77.4	Confident	76.9	Confident	51 Å²	51	97.1 Å²	97.1	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.4	0	0	0	0	0	112.2	A155 K156 L162 L163	A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 2.88Å; K156-A159 PolarHBondContact O-N 3.43Å; A159-L162 PolarHBondContact O-N 2.92Å; A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 PolarHBondContact O-N 2.93Å
160	K	77.7	Confident	76.7	Confident	159 Å²	159	99.8 Å²	99.8	69%	0.691	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-41.8	174.5	-75.7	-173.6	177.3	-169.7	0	112	K156 T157 T158 L163 G164	K156-K160 WeakPolarHBondContact O-CB 3.49Å; K156-K160 WeakPolarHBondContact O-CG 3.24Å; K156-K160 PolarHBondContact O-N 3.41Å; T157-K160 PolarHBondContact O-N 3.42Å; T158-K160 PolarHBondContact O-N 2.9Å; K160-L163 PolarHBondContact O-N 3.49Å; K160-G164 PolarHBondContact O-N 2.93Å
161	S	80.8	Confident	76.5	Confident	63 Å²	63	103.4 Å²	103.4	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-48.6	174.9	-167.2	0	0	0	0	111.3	T157 T158 L163 G164 E165	T157-S161 WeakPolarHBondContact O-CB 3.44Å; T157-S161 PolarHBondContact O-N 3.44Å; T158-S161 WeakPolarHBondContact O-CB 3.46Å; T158-S161 PolarHBondContact O-N 2.88Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.41Å; S161-G164 PolarHBondContact O-N 3.2Å; S161-E165 WeakPolarHBondContact O-CG 3.49Å; S161-E165 PolarHBondContact O-N 3.41Å; S161-E165 PolarHBondContact OG-OE1 3.5Å
162	L	80.1	Confident	76.3	Confident	89 Å²	89	97.7 Å²	97.7	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-39	178.4	-71.9	169.5	0	0	0	112.1	T158 A159 E165 L166	T158-L162 HydrophobicContact CG2-CD1 4.01Å; T158-L162 HydrophobicContact CG2-CG 4.44Å; T158-L162 WeakPolarHBondContact O-CB 3.45Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.41Å; T158-L162 PolarHBondContact O-N 3.29Å; A159-L162 PolarHBondContact O-N 2.92Å; L162-E165 PolarHBondContact O-N 2.85Å; L162-L166 VanDerWaalsContact O-CB 3.32Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.3Å; L162-L166 PolarHBondContact O-N 3.39Å
163	L	75.2	Confident	76.4	Confident	86 Å²	86	97.2 Å²	97.2	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-40.6	175.5	-120.6	125	0	0	0	111.8	A159 K160 S161 L166 S167 L180	A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 PolarHBondContact O-N 2.93Å; K160-L163 PolarHBondContact O-N 3.49Å; S161-L163 VanDerWaalsContact C-N 3.33Å; S161-L163 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 2.95Å; L163-S167 VanDerWaalsContact O-CB 3.27Å; L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 2.87Å; L163-L180 HydrophobicContact CD2-CD1 4.16Å; L163-L180 HydrophobicContact CD2-CD2 4.03Å
164	G	73.5	Confident	76.2	Confident	30 Å²	30	95.9 Å²	95.9	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-48.6	173.2	0	0	0	0	0	111.9	K160 S161 L166 S167 E168	K160-G164 PolarHBondContact O-N 2.93Å; S161-G164 PolarHBondContact O-N 3.2Å; G164-L166 PolarHBondContact O-N 2.98Å; G164-S167 WeakPolarHBondContact O-CB 3.43Å; G164-S167 PolarHBondContact O-N 3.31Å; G164-E168 WeakPolarHBondContact O-CG 3.31Å; G164-E168 PolarHBondContact O-N 3.27Å
165	E	78.3	Confident	75.9	Confident	78 Å²	78	94.4 Å²	94.4	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-38.3	177.9	-73.2	177.3	-138	0	0	113.1	S161 L162 K169	S161-E165 WeakPolarHBondContact O-CG 3.49Å; S161-E165 PolarHBondContact O-N 3.41Å; S161-E165 PolarHBondContact OG-OE1 3.5Å; L162-E165 PolarHBondContact O-N 2.85Å; E165-K169 VanDerWaalsContact O-CB 3.31Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 WeakPolarHBondContact O-CD 3.42Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.11Å; E165-K169 VanDerWaalsContact O-N 3.07Å; E165-K169 IonicContact OE2-NZ 2.82Å
166	L	74.9	Confident	75.6	Confident	75 Å²	75	96 Å²	96	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-70.5	-34.7	176.7	-72.9	168.7	0	0	0	111.9	L162 L163 G164 N170 L171 I172	L162-L166 VanDerWaalsContact O-CB 3.32Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.3Å; L162-L166 PolarHBondContact O-N 3.39Å; L163-L166 PolarHBondContact O-N 2.95Å; G164-L166 PolarHBondContact O-N 2.98Å; L166-N170 PolarHBondContact O-N 2.92Å; L166-L171 HydrophobicContact CD2-CB 4.02Å; L166-L171 HydrophobicContact CD2-CD1 4.48Å; L166-L171 PolarHBondContact O-N 3.41Å; L166-L171 VanDerWaalsContact O-N 3.11Å; L166-I172 HydrophobicContact CB-CG1 4.16Å
167	S	71.6	Confident	75.3	Confident	68 Å²	68	94.9 Å²	94.9	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-46.2	173.3	-178.5	0	0	0	0	111.5	L163 G164 K169 N170	L163-S167 VanDerWaalsContact O-CB 3.27Å; L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 2.87Å; G164-S167 WeakPolarHBondContact O-CB 3.43Å; G164-S167 PolarHBondContact O-N 3.31Å; S167-K169 VanDerWaalsContact C-N 3.29Å; S167-K169 PolarHBondContact O-N 2.76Å; S167-N170 PolarHBondContact O-N 3.14Å
168	E	76.9	Confident	74.8	Confident	163 Å²	163	97.1 Å²	97.1	76%	0.762	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-33.4	177.7	-74.6	174.6	-175.3	0	0	112.5	G164	G164-E168 WeakPolarHBondContact O-CG 3.31Å; G164-E168 PolarHBondContact O-N 3.27Å
169	K	79.8	Confident	74.1	Confident	129 Å²	129	101 Å²	101	56%	0.561	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	1.4	-179.7	-67.7	172	-176.8	166.2	0	114	E165 S167 L171	E165-K169 VanDerWaalsContact O-CB 3.31Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 WeakPolarHBondContact O-CD 3.42Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.11Å; E165-K169 VanDerWaalsContact O-N 3.07Å; E165-K169 IonicContact OE2-NZ 2.82Å; S167-K169 VanDerWaalsContact C-N 3.29Å; S167-K169 PolarHBondContact O-N 2.76Å; K169-L171 HydrophobicContact CB-CD1 3.9Å; K169-L171 HydrophobicContact CB-CG 4.08Å; K169-L171 HydrophobicContact CD-CD1 4.46Å; K169-L171 PolarHBondContact O-N 3.2Å
170	N	69.8	Low	73.5	Confident	150 Å²	150	102 Å²	102	80%	0.802	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.9	-175.9	-73.7	-31.6	0	0	0	114.2	L166 S167	L166-N170 PolarHBondContact O-N 2.92Å; S167-N170 PolarHBondContact O-N 3.14Å
171	L	73.9	Confident	72.9	Confident	116 Å²	116	99.3 Å²	99.3	61%	0.607	50%	0.503	S	S	*	.			trans	-98.2	9.6	-179	-70	170.8	0	0	0	113	L166 K169 T173	L166-L171 HydrophobicContact CD2-CB 4.02Å; L166-L171 HydrophobicContact CD2-CD1 4.48Å; L166-L171 PolarHBondContact O-N 3.41Å; L166-L171 VanDerWaalsContact O-N 3.11Å; K169-L171 HydrophobicContact CB-CD1 3.9Å; K169-L171 HydrophobicContact CB-CG 4.08Å; K169-L171 HydrophobicContact CD-CD1 4.46Å; K169-L171 PolarHBondContact O-N 3.2Å; L171-T173 PolarHBondContact O-N 2.89Å
172	I	73.7	Confident	72	Confident	46 Å²	46	103.2 Å²	103.2	24%	0.236	51%	0.512	C	S	.	.			trans	-78.9	114.7	177.5	-56.5	179.1	0	0	0	108.1	L166 L176 K177	L166-I172 HydrophobicContact CB-CG1 4.16Å; I172-L176 HydrophobicContact CG2-CB 4.12Å; I172-L176 HydrophobicContact CG2-CD2 4.29Å; I172-K177 HydrophobicContact CG2-CB 3.91Å
173	T	75.2	Confident	70.9	Confident	94 Å²	94	105.7 Å²	105.7	58%	0.577	52%	0.516	S	S	*	.			trans	-60.5	143.1	173.6	-22.9	0	0	0	0	110.3	L171 E175 L176 K177	L171-T173 PolarHBondContact O-N 2.89Å; T173-E175 PolarHBondContact O-N 2.87Å; T173-L176 WeakPolarHBondContact O-CA 3.36Å; T173-L176 WeakPolarHBondContact O-CB 3.24Å; T173-L176 PolarHBondContact O-N 2.81Å; T173-K177 PolarHBondContact O-N 3.26Å
174	E	72	Confident	70	Confident	128 Å²	128	105.2 Å²	105.2	60%	0.598	52%	0.52	S	S	*	.	H	α-helix	trans	-53.7	-39.1	178.5	-72.6	-62	153.7	0	0	112.7	L176 K177 E178	E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.32Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3.19Å; E174-E178 PolarHBondContact O-N 2.94Å
175	E	72.8	Confident	69.2	Low	121 Å²	121	110.5 Å²	110.5	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-63.7	-34.3	174.8	-168.8	-173.9	171.7	0	0	113.1	T173 R179	T173-E175 PolarHBondContact O-N 2.87Å; E175-R179 WeakPolarHBondContact O-CG 3.4Å; E175-R179 PolarHBondContact O-N 2.88Å; E175-R179 IonicContact OE1-NH2 2.83Å
176	L	69.9	Low	68.3	Low	93 Å²	93	110.3 Å²	110.3	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-75.6	-36.2	178.4	-146.1	105.3	0	0	0	110.7	I172 T173 E174 R179 L180	I172-L176 HydrophobicContact CG2-CB 4.12Å; I172-L176 HydrophobicContact CG2-CD2 4.29Å; T173-L176 WeakPolarHBondContact O-CA 3.36Å; T173-L176 WeakPolarHBondContact O-CB 3.24Å; T173-L176 PolarHBondContact O-N 2.81Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.32Å; L176-R179 PolarHBondContact O-N 2.88Å; L176-L180 HydrophobicContact CD2-CD1 4.03Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 WeakPolarHBondContact O-CD1 3.37Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.22Å
177	K	69.4	Low	67.5	Low	88 Å²	88	114.1 Å²	114.1	38%	0.383	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-49.1	175	-170.7	-178.7	172.3	-168.4	0	111.2	I172 T173 E174 R179 L180 E181	I172-K177 HydrophobicContact CG2-CB 3.91Å; T173-K177 PolarHBondContact O-N 3.26Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3.19Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.25Å; K177-L180 PolarHBondContact O-N 2.95Å; K177-L180 VanDerWaalsContact O-N 3.09Å; K177-E181 VanDerWaalsContact CE-OE1 3.29Å; K177-E181 WeakPolarHBondContact CE-OE1 3.27Å; K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 WeakPolarHBondContact O-CG 3.41Å; K177-E181 PolarHBondContact O-N 3.19Å
178	E	67.3	Low	67.1	Low	132 Å²	132	114.5 Å²	114.5	62%	0.617	56%	0.555	S	S	*	*	H	α-helix	trans	-57.4	-40	173.9	-78.4	-175.6	163.1	0	0	112	E174 F182	E174-E178 PolarHBondContact O-N 2.94Å; E178-F182 WeakPolarHBondContact O-CB 3.14Å; E178-F182 PolarHBondContact O-N 2.98Å
179	R	65.7	Low	66.4	Low	162 Å²	162	114.5 Å²	114.5	61%	0.611	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-38.8	175.2	-79.3	-175.2	172.2	174.1	7.7	113	E175 L176 K177 Y183	E175-R179 WeakPolarHBondContact O-CG 3.4Å; E175-R179 PolarHBondContact O-N 2.88Å; E175-R179 IonicContact OE1-NH2 2.83Å; L176-R179 PolarHBondContact O-N 2.88Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.25Å; R179-Y183 WeakPolarHBondContact O-CD2 3.39Å; R179-Y183 PolarHBondContact O-N 3.36Å
180	L	65.8	Low	65.8	Low	71 Å²	71	111.4 Å²	111.4	37%	0.372	54%	0.541	S	S	.	.	H	α-helix	trans	-67.5	-41.4	176.3	-83.1	156.4	0	0	0	111.2	L163 L176 K177 Y183 S184	L163-L180 HydrophobicContact CD2-CD1 4.16Å; L163-L180 HydrophobicContact CD2-CD2 4.03Å; L176-L180 HydrophobicContact CD2-CD1 4.03Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 WeakPolarHBondContact O-CD1 3.37Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.22Å; K177-L180 PolarHBondContact O-N 2.95Å; K177-L180 VanDerWaalsContact O-N 3.09Å; L180-Y183 CarbonylContact O-C 3.53Å; L180-Y183 PolarHBondContact O-N 3.45Å; L180-S184 PolarHBondContact O-N 3.44Å
181	E	64.8	Low	65.7	Low	103 Å²	103	104.8 Å²	104.8	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-39.6	174.9	-74.3	176.9	-175.9	0	0	111.8	K177 Y183 S184	K177-E181 VanDerWaalsContact CE-OE1 3.29Å; K177-E181 WeakPolarHBondContact CE-OE1 3.27Å; K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 WeakPolarHBondContact O-CG 3.41Å; K177-E181 PolarHBondContact O-N 3.19Å; E181-Y183 PolarHBondContact O-N 3.13Å; E181-Y183 VanDerWaalsContact O-N 3.14Å; E181-S184 WeakPolarHBondContact CA-OG 3.41Å; E181-S184 PolarHBondContact O-N 3.31Å; E181-S184 VanDerWaalsContact O-N 3.13Å; E181-S184 PolarHBondContact O-OG 2.92Å
182	F	61.1	Low	65.2	Low	145 Å²	145	105.3 Å²	105.3	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-58.2	-30.4	174.6	-176.6	-95	0	0	0	113.2	E178	E178-F182 WeakPolarHBondContact O-CB 3.14Å; E178-F182 PolarHBondContact O-N 2.98Å
183	Y	57.3	Low	64.7	Low	142 Å²	142	108.4 Å²	108.4	56%	0.557	52%	0.516	S	S	*	.	H	α-helix	trans	-99.7	-9.9	178	-69.8	-68.3	0	0	0	113.8	R179 L180 E181 D185 L186	R179-Y183 WeakPolarHBondContact O-CD2 3.39Å; R179-Y183 PolarHBondContact O-N 3.36Å; L180-Y183 CarbonylContact O-C 3.53Å; L180-Y183 PolarHBondContact O-N 3.45Å; E181-Y183 PolarHBondContact O-N 3.13Å; E181-Y183 VanDerWaalsContact O-N 3.14Å; Y183-D185 VanDerWaalsContact C-N 3.26Å; Y183-D185 PolarHBondContact O-N 2.93Å; Y183-L186 HydrophobicContact CD1-CD1 3.98Å; Y183-L186 PolarHBondContact O-N 3.4Å
184	S	56.9	Low	63.9	Low	75 Å²	75	112.8 Å²	112.8	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-28.9	179.4	60.5	0	0	0	0	112.5	L180 E181 L186	L180-S184 PolarHBondContact O-N 3.44Å; E181-S184 WeakPolarHBondContact CA-OG 3.41Å; E181-S184 PolarHBondContact O-N 3.31Å; E181-S184 VanDerWaalsContact O-N 3.13Å; E181-S184 PolarHBondContact O-OG 2.92Å; S184-L186 VanDerWaalsContact C-N 3.29Å; S184-L186 PolarHBondContact O-N 2.98Å
185	D	55.6	Low	63.7	Low	142 Å²	142	109.6 Å²	109.6	76%	0.759	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-19.5	176.9	-68.1	-10.3	0	0	0	112.8	Y183 Q187	Y183-D185 VanDerWaalsContact C-N 3.26Å; Y183-D185 PolarHBondContact O-N 2.93Å; D185-Q187 PolarHBondContact O-N 3.38Å
186	L	59.4	Low	63.3	Low	73 Å²	73	111.5 Å²	111.5	38%	0.382	54%	0.538	S	S	.	.	S	Bend	trans	-76.8	93.1	167.3	-84.4	119.3	0	0	0	107.8	Y183 S184 L188 F226	Y183-L186 HydrophobicContact CD1-CD1 3.98Å; Y183-L186 PolarHBondContact O-N 3.4Å; S184-L186 VanDerWaalsContact C-N 3.29Å; S184-L186 PolarHBondContact O-N 2.98Å; L186-L188 HydrophobicContact CB-CD2 4.33Å; L186-L188 HydrophobicContact CB-CG 4.22Å; L186-L188 HydrophobicContact CD2-CD2 4.36Å; L186-L188 WeakPolarHBondContact O-CG 3.37Å; L186-L188 PolarHBondContact O-N 3.48Å; L186-F226 HydrophobicContact CD2-CE2 3.9Å; L186-F226 HydrophobicContact CD2-CZ 3.66Å
187	Q	59.4	Low	63.3	Low	155 Å²	155	113.6 Å²	113.6	72%	0.724	55%	0.545	S	S	*	.			trans	-60.5	77.7	168.4	-68.7	-179.2	-15.8	0	0	110.1	D185 E189 F190	D185-Q187 PolarHBondContact O-N 3.38Å; Q187-E189 PolarHBondContact O-N 2.93Å; Q187-E189 VanDerWaalsContact O-N 3.14Å; Q187-F190 WeakPolarHBondContact O-CD1 3.31Å; Q187-F190 WeakPolarHBondContact O-CE1 3.43Å
188	L	63	Low	63.7	Low	77 Å²	77	111 Å²	111	40%	0.403	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-71.1	-6.9	-176.8	-67.5	171.5	0	0	0	112.9	L186 F190 M191 F226	L186-L188 HydrophobicContact CB-CD2 4.33Å; L186-L188 HydrophobicContact CB-CG 4.22Å; L186-L188 HydrophobicContact CD2-CD2 4.36Å; L186-L188 WeakPolarHBondContact O-CG 3.37Å; L186-L188 PolarHBondContact O-N 3.48Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 2.83Å; L188-M191 HydrophobicContact CD2-SD 3.47Å; L188-M191 WeakPolarHBondContact CD2-SD 3.31Å; L188-M191 VanDerWaalsContact O-CB 3.31Å; L188-M191 WeakPolarHBondContact O-CB 3.44Å; L188-M191 PolarHBondContact O-N 2.82Å; L188-M191 VanDerWaalsContact O-N 3.08Å; L188-F226 HydrophobicContact CD2-CE2 3.88Å; L188-F226 HydrophobicContact CD2-CZ 3.74Å
189	E	62.8	Low	64.4	Low	162 Å²	162	106.3 Å²	106.3	76%	0.757	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-62.6	-35.5	-179.3	-68.4	-175.6	164.5	0	0	112.7	Q187 M191 E192	Q187-E189 PolarHBondContact O-N 2.93Å; Q187-E189 VanDerWaalsContact O-N 3.14Å; E189-M191 PolarHBondContact O-N 3.5Å; E189-M191 VanDerWaalsContact O-N 3.17Å; E189-E192 WeakPolarHBondContact O-CB 3.4Å; E189-E192 PolarHBondContact O-N 3.04Å; E189-E192 VanDerWaalsContact O-N 3.13Å
190	F	67.1	Low	64.9	Low	64 Å²	64	103.3 Å²	103.3	28%	0.281	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.5	176.6	79.7	-97.4	0	0	0	112.6	Q187 L188 E192 S199 Y202 F205	Q187-F190 WeakPolarHBondContact O-CD1 3.31Å; Q187-F190 WeakPolarHBondContact O-CE1 3.43Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 2.83Å; F190-E192 VanDerWaalsContact C-N 3.35Å; F190-S199 PolarHBondContact O-OG 3.2Å; F190-S199 VanDerWaalsContact O-OG 3.06Å; F190-Y202 HydrophobicContact CD2-CD2 4.49Å; F190-Y202 HydrophobicContact CE2-CD2 4.09Å; F190-F205 HydrophobicContact CE2-CB 3.88Å; F190-F205 HydrophobicContact CE2-CD1 4.09Å; F190-F205 HydrophobicContact CE2-CD2 4.44Å; F190-F205 AromaticContact CE2-CG 3.87Å; F190-F205 HydrophobicContact CE2-CG 3.87Å; F190-F205 HydrophobicContact CZ-CB 4.39Å; F190-F205 HydrophobicContact CZ-CD1 4.2Å; F190-F205 HydrophobicContact CZ-CD2 4.11Å; F190-F205 HydrophobicContact CZ-CE2 4.46Å; F190-F205 AromaticContact CZ-CG 3.96Å; F190-F205 HydrophobicContact CZ-CG 3.96Å
191	M	66.8	Low	65.6	Low	12 Å²	12	106.1 Å²	106.1	6%	0.059	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-85.9	-7.2	179.7	-53.9	-176.7	75.3	0	0	112.9	L188 E189 K193 Y202 F205 F226 P227 L228	L188-M191 HydrophobicContact CD2-SD 3.47Å; L188-M191 WeakPolarHBondContact CD2-SD 3.31Å; L188-M191 VanDerWaalsContact O-CB 3.31Å; L188-M191 WeakPolarHBondContact O-CB 3.44Å; L188-M191 PolarHBondContact O-N 2.82Å; L188-M191 VanDerWaalsContact O-N 3.08Å; E189-M191 PolarHBondContact O-N 3.5Å; E189-M191 VanDerWaalsContact O-N 3.17Å; M191-K193 PolarHBondContact O-N 3.46Å; M191-Y202 HydrophobicContact CB-CD2 4.3Å; M191-Y202 HydrophobicContact CB-CE1 4.39Å; M191-Y202 HydrophobicContact CB-CE2 4.17Å; M191-Y202 HydrophobicContact CE-CD2 4.21Å; M191-Y202 HydrophobicContact CE-CE2 3.45Å; M191-Y202 VanDerWaalsContact CE-CE2 3.45Å; M191-Y202 HydrophobicContact CG-CD2 4.09Å; M191-Y202 HydrophobicContact CG-CE2 4.12Å; M191-Y202 WeakPolarHBondContact O-CE1 3.42Å; M191-F205 HydrophobicContact CE-CD1 4.45Å; M191-F205 HydrophobicContact CE-CE1 4Å; M191-F226 HydrophobicContact CE-CD1 3.71Å; M191-F226 HydrophobicContact CE-CE1 3.25Å; M191-F226 HydrophobicContact CE-CZ 4.02Å; M191-F226 HydrophobicContact SD-CE1 3.61Å; M191-F226 HydrophobicContact SD-CZ 3.75Å; M191-P227 HydrophobicContact CE-CG 3.84Å; M191-P227 WeakPolarHBondContact CE-O 3.32Å; M191-P227 HydrophobicContact SD-CG 4.29Å; M191-L228 HydrophobicContact CE-CD2 4.22Å
192	E	63.9	Low	66.4	Low	127 Å²	127	101.5 Å²	101.5	59%	0.593	50%	0.5	S	S	*	.	S	Bend	trans	-69.1	130.9	174.7	-67.5	-161.5	152.3	0	0	110.6	E189 F190 K194	E189-E192 WeakPolarHBondContact O-CB 3.4Å; E189-E192 PolarHBondContact O-N 3.04Å; E189-E192 VanDerWaalsContact O-N 3.13Å; F190-E192 VanDerWaalsContact C-N 3.35Å; E192-K194 PolarHBondContact O-N 2.85Å
193	K	62.5	Low	67.5	Low	110 Å²	110	97.2 Å²	97.2	48%	0.478	48%	0.48	S	S	.	.			trans	-70.9	121.1	173.5	-72.5	179.5	175.8	178.4	0	109.2	M191 G195 Y198	M191-K193 PolarHBondContact O-N 3.46Å; K193-G195 VanDerWaalsContact C-N 3.27Å; K193-G195 PolarHBondContact O-N 3.36Å; K193-Y198 HydrophobicContact CD-CE1 4.41Å; K193-Y198 VanDerWaalsContact CE-OH 3.31Å; K193-Y198 WeakPolarHBondContact CE-OH 3.28Å; K193-Y198 HydrophobicContact CG-CD1 4.43Å; K193-Y198 HydrophobicContact CG-CE1 4.44Å; K193-Y198 PolarHBondContact NZ-OH 2.83Å
194	K	58.3	Low	68.5	Low	187 Å²	187	94.5 Å²	94.5	81%	0.813	47%	0.472	S	S	*	.	B	Isolated β-bridge	trans	-75.1	85.8	163.4	-69.2	-174.6	179.5	178.5	0	108	E192 H196 E197	E192-K194 PolarHBondContact O-N 2.85Å; K194-H196 PolarHBondContact O-N 3.18Å; K194-E197 PolarHBondContact N-O 2.92Å; K194-E197 PolarHBondContact O-N 3.02Å
195	G	67.9	Low	69.8	Low	61 Å²	61	94.2 Å²	94.2	63%	0.629	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-113.4	-176.3	0	0	0	0	0	113	K193	K193-G195 VanDerWaalsContact C-N 3.27Å; K193-G195 PolarHBondContact O-N 3.36Å
196	H	64.2	Low	71.3	Confident	160 Å²	160	87.5 Å²	87.5	74%	0.741	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-11.5	-179.1	-69.3	-66.5	0	0	0	114.1	K194	K194-H196 PolarHBondContact O-N 3.18Å
197	E	69.7	Low	72.4	Confident	137 Å²	137	84.5 Å²	84.5	64%	0.64	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-105	146.8	-172.5	-67.4	-171.8	161.7	0	0	112.4	K194	K194-E197 PolarHBondContact N-O 2.92Å; K194-E197 PolarHBondContact O-N 3.02Å
198	Y	78.8	Confident	73.5	Confident	34 Å²	34	79.4 Å²	79.4	13%	0.133	39%	0.39	C	S	.	.			trans	-90.4	132.1	172.8	-61.4	-98.9	0	0	0	108.1	K193 Y202 R203 P229 T233 W237	K193-Y198 HydrophobicContact CD-CE1 4.41Å; K193-Y198 VanDerWaalsContact CE-OH 3.31Å; K193-Y198 WeakPolarHBondContact CE-OH 3.28Å; K193-Y198 HydrophobicContact CG-CD1 4.43Å; K193-Y198 HydrophobicContact CG-CE1 4.44Å; K193-Y198 PolarHBondContact NZ-OH 2.83Å; Y198-Y202 AromaticContact CD1-CD1 3.59Å; Y198-Y202 HydrophobicContact CD1-CD1 3.59Å; Y198-Y202 AromaticContact CD1-CE1 3.41Å; Y198-Y202 HydrophobicContact CD1-CE1 3.41Å; Y198-Y202 VanDerWaalsContact CD1-CE1 3.41Å; Y198-Y202 HydrophobicContact CE1-CD1 4.44Å; Y198-Y202 AromaticContact CE1-CE1 3.82Å; Y198-Y202 HydrophobicContact CE1-CE1 3.82Å; Y198-Y202 HydrophobicContact CG-CD1 4.46Å; Y198-R203 PolarHBondContact O-NE 2.8Å; Y198-P229 HydrophobicContact CD1-CG 4.15Å; Y198-P229 HydrophobicContact CE1-CB 4.19Å; Y198-P229 HydrophobicContact CE1-CG 3.76Å; Y198-T233 HydrophobicContact CE2-CG2 4.06Å; Y198-W237 AromaticContact CD1-CH2 3.95Å; Y198-W237 HydrophobicContact CD1-CH2 3.95Å; Y198-W237 HydrophobicContact CD1-CZ2 4.14Å; Y198-W237 HydrophobicContact CD2-CH2 4.09Å; Y198-W237 AromaticContact CD2-CZ2 3.43Å; Y198-W237 HydrophobicContact CD2-CZ2 3.43Å; Y198-W237 VanDerWaalsContact CD2-CZ2 3.43Å; Y198-W237 HydrophobicContact CE1-CH2 4.42Å; Y198-W237 HydrophobicContact CE2-CH2 4.49Å; Y198-W237 AromaticContact CE2-CZ2 3.92Å; Y198-W237 HydrophobicContact CE2-CZ2 3.92Å; Y198-W237 AromaticContact CG-CH2 3.76Å; Y198-W237 HydrophobicContact CG-CH2 3.76Å; Y198-W237 AromaticContact CG-CZ2 3.51Å; Y198-W237 HydrophobicContact CG-CZ2 3.51Å
199	S	80.8	Confident	74.5	Confident	34 Å²	34	77.5 Å²	77.5	24%	0.238	38%	0.38	C	S	.	.			trans	-58.2	152.1	172.8	58.3	0	0	0	0	110.9	F190 E201 Y202 R203	F190-S199 PolarHBondContact O-OG 3.2Å; F190-S199 VanDerWaalsContact O-OG 3.06Å; S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact O-N 3.09Å; S199-Y202 PolarHBondContact O-N 3.24Å; S199-Y202 WeakPolarHBondContact OG-CB 3.24Å; S199-Y202 PolarHBondContact OG-N 2.9Å; S199-R203 WeakPolarHBondContact O-CG 3.37Å; S199-R203 PolarHBondContact O-N 3.13Å
200	N	77.6	Confident	75.6	Confident	98 Å²	98	70.9 Å²	70.9	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-43.2	179.2	-73.8	-11.5	0	0	0	111.6	Y202 R203 E204	N200-Y202 VanDerWaalsContact C-N 3.28Å; N200-Y202 PolarHBondContact O-N 2.81Å; N200-R203 WeakPolarHBondContact O-CB 3.41Å; N200-R203 PolarHBondContact O-N 2.9Å; N200-R203 VanDerWaalsContact O-N 3.09Å; N200-E204 WeakPolarHBondContact O-CG 3.48Å; N200-E204 PolarHBondContact O-N 2.7Å
201	E	78.9	Confident	76.1	Confident	131 Å²	131	69.7 Å²	69.7	61%	0.612	35%	0.345	S	S	*	.	H	α-helix	trans	-55.4	-42.3	174.5	-66.9	164	-171.6	0	0	112.2	S199 F205	S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact O-N 3.09Å; E201-F205 WeakPolarHBondContact O-CB 3.31Å; E201-F205 PolarHBondContact O-N 3.14Å
202	Y	82.9	Confident	76.6	Confident	6 Å²	6	75.6 Å²	75.6	2%	0.024	37%	0.372	C	S	.	.	H	α-helix	trans	-73.7	-34.3	178.2	-175.8	-154.1	0	0	0	112.7	F190 M191 Y198 S199 N200 F205 A206 P227 P229	F190-Y202 HydrophobicContact CD2-CD2 4.49Å; F190-Y202 HydrophobicContact CE2-CD2 4.09Å; M191-Y202 HydrophobicContact CB-CD2 4.3Å; M191-Y202 HydrophobicContact CB-CE1 4.39Å; M191-Y202 HydrophobicContact CB-CE2 4.17Å; M191-Y202 HydrophobicContact CE-CD2 4.21Å; M191-Y202 HydrophobicContact CE-CE2 3.45Å; M191-Y202 VanDerWaalsContact CE-CE2 3.45Å; M191-Y202 HydrophobicContact CG-CD2 4.09Å; M191-Y202 HydrophobicContact CG-CE2 4.12Å; M191-Y202 WeakPolarHBondContact O-CE1 3.42Å; Y198-Y202 AromaticContact CD1-CD1 3.59Å; Y198-Y202 HydrophobicContact CD1-CD1 3.59Å; Y198-Y202 AromaticContact CD1-CE1 3.41Å; Y198-Y202 HydrophobicContact CD1-CE1 3.41Å; Y198-Y202 VanDerWaalsContact CD1-CE1 3.41Å; Y198-Y202 HydrophobicContact CE1-CD1 4.44Å; Y198-Y202 AromaticContact CE1-CE1 3.82Å; Y198-Y202 HydrophobicContact CE1-CE1 3.82Å; Y198-Y202 HydrophobicContact CG-CD1 4.46Å; S199-Y202 PolarHBondContact O-N 3.24Å; S199-Y202 WeakPolarHBondContact OG-CB 3.24Å; S199-Y202 PolarHBondContact OG-N 2.9Å; N200-Y202 VanDerWaalsContact C-N 3.28Å; N200-Y202 PolarHBondContact O-N 2.81Å; Y202-F205 HydrophobicContact CD2-CD1 4.15Å; Y202-F205 HydrophobicContact CE2-CD1 4.35Å; Y202-A206 VanDerWaalsContact O-CB 3.28Å; Y202-A206 WeakPolarHBondContact O-CB 3.47Å; Y202-A206 PolarHBondContact O-N 3.22Å; Y202-P227 VanDerWaalsContact OH-C 3.26Å; Y202-P227 PolarHBondContact OH-O 3.42Å; Y202-P229 WeakPolarHBondContact OH-CD 3.29Å
203	R	83.4	Confident	77.5	Confident	54 Å²	54	70.3 Å²	70.3	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-49.4	171.8	-68.1	177.4	-172.2	-164.8	2.1	110.3	Y198 S199 N200 A206 L207 W237	Y198-R203 PolarHBondContact O-NE 2.8Å; S199-R203 WeakPolarHBondContact O-CG 3.37Å; S199-R203 PolarHBondContact O-N 3.13Å; N200-R203 WeakPolarHBondContact O-CB 3.41Å; N200-R203 PolarHBondContact O-N 2.9Å; N200-R203 VanDerWaalsContact O-N 3.09Å; R203-A206 PolarHBondContact O-N 3.08Å; R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 VanDerWaalsContact O-CG 3.24Å; R203-L207 WeakPolarHBondContact O-CG 3.35Å; R203-L207 PolarHBondContact O-N 3.13Å; R203-W237 HydrophobicContact CB-CD2 4.49Å; R203-W237 HydrophobicContact CB-CE3 4.06Å; R203-W237 HydrophobicContact CB-CH2 4.3Å; R203-W237 HydrophobicContact CB-CZ3 3.96Å; R203-W237 HydrophobicContact CG-CD2 4.03Å; R203-W237 HydrophobicContact CG-CE3 3.98Å; R203-W237 HydrophobicContact CG-CH2 3.68Å; R203-W237 HydrophobicContact CG-CZ2 3.7Å; R203-W237 HydrophobicContact CG-CZ3 3.81Å
204	E	79.4	Confident	78.5	Confident	85 Å²	85	67.8 Å²	67.8	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-48.1	176.8	-75.3	173.9	-148.6	0	0	111.8	N200 A206 L207 T208 T632	N200-E204 WeakPolarHBondContact O-CG 3.48Å; N200-E204 PolarHBondContact O-N 2.7Å; E204-A206 PolarHBondContact O-N 3.42Å; E204-L207 PolarHBondContact O-N 2.62Å; E204-T208 WeakPolarHBondContact O-CB 3.35Å; E204-T208 PolarHBondContact O-N 3.49Å; E204-T208 PolarHBondContact O-OG1 3.3Å; E204-T632 HydrophobicContact CG-CG2 3.86Å; E204-T632 WeakPolarHBondContact OE1-CG2 3.47Å
205	F	84.2	Confident	79.8	Confident	70 Å²	70	67.8 Å²	67.8	31%	0.307	35%	0.346	S	S	.	.	H	α-helix	trans	-57.2	-49.9	176.2	172.9	-97.7	0	0	0	111.6	F190 M191 E201 Y202 T208 L209 F226 L228	F190-F205 HydrophobicContact CE2-CB 3.88Å; F190-F205 HydrophobicContact CE2-CD1 4.09Å; F190-F205 HydrophobicContact CE2-CD2 4.44Å; F190-F205 AromaticContact CE2-CG 3.87Å; F190-F205 HydrophobicContact CE2-CG 3.87Å; F190-F205 HydrophobicContact CZ-CB 4.39Å; F190-F205 HydrophobicContact CZ-CD1 4.2Å; F190-F205 HydrophobicContact CZ-CD2 4.11Å; F190-F205 HydrophobicContact CZ-CE2 4.46Å; F190-F205 AromaticContact CZ-CG 3.96Å; F190-F205 HydrophobicContact CZ-CG 3.96Å; M191-F205 HydrophobicContact CE-CD1 4.45Å; M191-F205 HydrophobicContact CE-CE1 4Å; E201-F205 WeakPolarHBondContact O-CB 3.31Å; E201-F205 PolarHBondContact O-N 3.14Å; Y202-F205 HydrophobicContact CD2-CD1 4.15Å; Y202-F205 HydrophobicContact CE2-CD1 4.35Å; F205-T208 PolarHBondContact O-N 3.31Å; F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CZ-CD2 4.22Å; F205-L209 VanDerWaalsContact O-CB 3.32Å; F205-L209 WeakPolarHBondContact O-CB 3.49Å; F205-L209 PolarHBondContact O-N 3.47Å; F205-F226 AromaticContact CE1-CE1 3.98Å; F205-F226 HydrophobicContact CE1-CE1 3.98Å; F205-F226 HydrophobicContact CZ-CE1 4.06Å; F205-L228 HydrophobicContact CE1-CD2 4.02Å
206	A	86.6	Confident	80.8	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-39.9	-176.8	0	0	0	0	0	112.4	Y202 R203 E204 H210 Y217 P229 L234 W237	Y202-A206 VanDerWaalsContact O-CB 3.28Å; Y202-A206 WeakPolarHBondContact O-CB 3.47Å; Y202-A206 PolarHBondContact O-N 3.22Å; R203-A206 PolarHBondContact O-N 3.08Å; E204-A206 PolarHBondContact O-N 3.42Å; A206-H210 WeakPolarHBondContact O-CB 3.31Å; A206-H210 PolarHBondContact O-N 3.03Å; A206-Y217 HydrophobicContact CB-CE2 4.25Å; A206-Y217 VanDerWaalsContact O-CE2 3.27Å; A206-Y217 WeakPolarHBondContact O-CE2 3.46Å; A206-P229 HydrophobicContact CB-CG 3.86Å; A206-L234 HydrophobicContact CB-CD2 3.89Å; A206-W237 HydrophobicContact CB-CZ3 4.29Å
207	L	83.3	Confident	82	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-43.3	175.2	-71.7	168.7	0	0	0	111.2	R203 E204 H210 L211 L234 W237 L238 V627 P633	R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 VanDerWaalsContact O-CG 3.24Å; R203-L207 WeakPolarHBondContact O-CG 3.35Å; R203-L207 PolarHBondContact O-N 3.13Å; E204-L207 PolarHBondContact O-N 2.62Å; L207-H210 PolarHBondContact O-N 3.18Å; L207-L211 WeakPolarHBondContact O-CB 2.95Å; L207-L211 PolarHBondContact O-N 3.06Å; L207-L234 HydrophobicContact CD2-CB 3.99Å; L207-L234 HydrophobicContact CD2-CD2 4.04Å; L207-L234 HydrophobicContact CD2-CG 4.5Å; L207-L234 HydrophobicContact CG-CD2 4.35Å; L207-W237 HydrophobicContact CD1-CB 4.48Å; L207-W237 HydrophobicContact CD1-CE3 4.31Å; L207-W237 HydrophobicContact CD2-CE3 4.4Å; L207-W237 HydrophobicContact CG-CE3 4.17Å; L207-L238 HydrophobicContact CD2-CD1 4.07Å; L207-L238 HydrophobicContact CD2-CD2 4.12Å; L207-L238 HydrophobicContact CD2-CG 3.81Å; L207-V627 HydrophobicContact CB-CG1 3.92Å; L207-V627 HydrophobicContact CD1-CG1 3.77Å; L207-V627 HydrophobicContact CG-CG1 4.44Å; L207-P633 HydrophobicContact CD1-CG 4.33Å
208	T	81.3	Confident	82.9	Confident	48 Å²	48	58.2 Å²	58.2	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-46.3	177.9	-60.2	0	0	0	0	111.4	E204 F205 H210 L211 H212	E204-T208 WeakPolarHBondContact O-CB 3.35Å; E204-T208 PolarHBondContact O-N 3.49Å; E204-T208 PolarHBondContact O-OG1 3.3Å; F205-T208 PolarHBondContact O-N 3.31Å; T208-H210 VanDerWaalsContact C-N 3.34Å; T208-H210 PolarHBondContact O-N 3.24Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 PolarHBondContact O-N 2.98Å; T208-L211 VanDerWaalsContact O-N 3.16Å; T208-H212 PolarHBondContact O-CD2 3.48Å; T208-H212 PolarHBondContact O-N 3.25Å
209	L	84.7	Confident	83.3	Confident	37 Å²	37	61.2 Å²	61.2	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-42.3	176.9	-176	64.5	0	0	0	111.8	F205 L211 H212 G213 Y217 L220 L228	F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CZ-CD2 4.22Å; F205-L209 VanDerWaalsContact O-CB 3.32Å; F205-L209 WeakPolarHBondContact O-CB 3.49Å; F205-L209 PolarHBondContact O-N 3.47Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.85Å; L209-H212 PolarHBondContact O-N 3.18Å; L209-G213 PolarHBondContact O-N 2.99Å; L209-Y217 HydrophobicContact CB-CD2 4.02Å; L209-Y217 HydrophobicContact CB-CE2 4.47Å; L209-Y217 HydrophobicContact CD2-CD2 3.83Å; L209-Y217 HydrophobicContact CD2-CE2 4.28Å; L209-Y217 HydrophobicContact CG-CD2 3.83Å; L209-L220 HydrophobicContact CD1-CD1 4.1Å; L209-L220 HydrophobicContact CD2-CD1 3.92Å; L209-L220 HydrophobicContact CG-CD1 4.46Å; L209-L228 HydrophobicContact CD2-CD1 3.85Å; L209-L228 HydrophobicContact CD2-CD2 3.93Å
210	H	85.6	Confident	83.6	Confident	23 Å²	23	62.1 Å²	62.1	11%	0.106	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-35.4	175.9	-178.4	-94.7	0	0	0	112.1	A206 L207 T208 G213 P214 Y217 L234	A206-H210 WeakPolarHBondContact O-CB 3.31Å; A206-H210 PolarHBondContact O-N 3.03Å; L207-H210 PolarHBondContact O-N 3.18Å; T208-H210 VanDerWaalsContact C-N 3.34Å; T208-H210 PolarHBondContact O-N 3.24Å; H210-G213 CarbonylContact O-C 3.56Å; H210-G213 PolarHBondContact O-N 3.37Å; H210-P214 VanDerWaalsContact O-CD 3.27Å; H210-P214 WeakPolarHBondContact O-CD 3.27Å; H210-P214 WeakPolarHBondContact O-CG 3.27Å; H210-Y217 HydrophobicContact CB-CD2 3.74Å; H210-Y217 HydrophobicContact CB-CE2 4.11Å; H210-Y217 HydrophobicContact CB-CG 4.03Å; H210-L234 HydrophobicContact CB-CD1 3.51Å
211	L	76.8	Confident	83.9	Confident	39 Å²	39	58.8 Å²	58.8	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-43.4	175.6	-177.3	65.9	0	0	0	112.2	L207 T208 L209 G213 R624 R628	L207-L211 WeakPolarHBondContact O-CB 2.95Å; L207-L211 PolarHBondContact O-N 3.06Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 PolarHBondContact O-N 2.98Å; T208-L211 VanDerWaalsContact O-N 3.16Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.85Å; L211-G213 VanDerWaalsContact C-N 3.28Å; L211-G213 PolarHBondContact O-N 3.49Å; L211-R624 HydrophobicContact CD1-CB 4.03Å; L211-R628 HydrophobicContact CD2-CB 3.64Å; L211-R628 HydrophobicContact CD2-CG 4.02Å
212	H	76.9	Confident	84.2	Confident	136 Å²	136	59.3 Å²	59.3	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-65.2	-31.6	177.6	-79.6	-66.3	0	0	0	113.1	T208 L209	T208-H212 PolarHBondContact O-CD2 3.48Å; T208-H212 PolarHBondContact O-N 3.25Å; L209-H212 PolarHBondContact O-N 3.18Å
213	G	83.2	Confident	84.1	Confident	15 Å²	15	66.3 Å²	66.3	16%	0.155	33%	0.327	C	S	.	.			trans	-173.9	104	176.9	0	0	0	0	0	113.1	L209 H210 L211 K215 A216 Y217	L209-G213 PolarHBondContact O-N 2.99Å; H210-G213 CarbonylContact O-C 3.56Å; H210-G213 PolarHBondContact O-N 3.37Å; L211-G213 VanDerWaalsContact C-N 3.28Å; L211-G213 PolarHBondContact O-N 3.49Å; G213-K215 PolarHBondContact O-N 3.04Å; G213-A216 PolarHBondContact O-N 3.4Å; G213-Y217 WeakPolarHBondContact O-CB 3.21Å; G213-Y217 PolarHBondContact O-N 3.48Å
214	P	84.6	Confident	83.6	Confident	57 Å²	57	71.6 Å²	71.6	37%	0.37	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-32.8	176.1	-25.8	34.1	0	0	0	112.8	H210 K218	H210-P214 VanDerWaalsContact O-CD 3.27Å; H210-P214 WeakPolarHBondContact O-CD 3.27Å; H210-P214 WeakPolarHBondContact O-CG 3.27Å; P214-K218 WeakPolarHBondContact O-CG 3.4Å; P214-K218 PolarHBondContact O-N 2.94Å
215	K	85.9	Confident	83.3	Confident	187 Å²	187	78.2 Å²	78.2	81%	0.813	37%	0.369	S	S	*	.	H	α-helix	trans	-68.8	-42.5	175.5	-66.6	-178.1	180	178.1	0	111.8	G213 Y219	G213-K215 PolarHBondContact O-N 3.04Å; K215-Y219 VanDerWaalsContact O-CB 3.31Å; K215-Y219 WeakPolarHBondContact O-CB 3.5Å; K215-Y219 PolarHBondContact O-N 3.45Å
216	A	87.9	Confident	83	Confident	46 Å²	46	76.9 Å²	76.9	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-43.7	176.7	0	0	0	0	0	110.6	G213 K218 Y219 L220	G213-A216 PolarHBondContact O-N 3.4Å; A216-K218 PolarHBondContact O-N 3.41Å; A216-Y219 PolarHBondContact O-N 3.21Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 VanDerWaalsContact O-CG 3.31Å; A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 2.83Å
217	Y	89.1	Confident	82.6	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.016	38%	0.384	C	S	.	.	H	α-helix	trans	-55.5	-50.6	174.6	-171.9	-86.3	0	0	0	112.3	A206 L209 H210 G213 Y219 L220 G221 L228 P229 P231 L234	A206-Y217 HydrophobicContact CB-CE2 4.25Å; A206-Y217 VanDerWaalsContact O-CE2 3.27Å; A206-Y217 WeakPolarHBondContact O-CE2 3.46Å; L209-Y217 HydrophobicContact CB-CD2 4.02Å; L209-Y217 HydrophobicContact CB-CE2 4.47Å; L209-Y217 HydrophobicContact CD2-CD2 3.83Å; L209-Y217 HydrophobicContact CD2-CE2 4.28Å; L209-Y217 HydrophobicContact CG-CD2 3.83Å; H210-Y217 HydrophobicContact CB-CD2 3.74Å; H210-Y217 HydrophobicContact CB-CE2 4.11Å; H210-Y217 HydrophobicContact CB-CG 4.03Å; G213-Y217 WeakPolarHBondContact O-CB 3.21Å; G213-Y217 PolarHBondContact O-N 3.48Å; Y217-Y219 PolarHBondContact O-N 3.48Å; Y217-L220 PolarHBondContact O-N 3Å; Y217-G221 PolarHBondContact O-N 3.05Å; Y217-L228 HydrophobicContact CD2-CD1 4.02Å; Y217-L228 HydrophobicContact CE1-CB 4.24Å; Y217-L228 HydrophobicContact CE1-CD1 4.47Å; Y217-L228 HydrophobicContact CE2-CB 4.27Å; Y217-L228 HydrophobicContact CE2-CD1 3.96Å; Y217-L228 HydrophobicContact CE2-CD2 4.02Å; Y217-L228 HydrophobicContact CE2-CG 4.31Å; Y217-L228 HydrophobicContact CG-CD1 4.31Å; Y217-P229 WeakPolarHBondContact CE1-O 3.41Å; Y217-P229 WeakPolarHBondContact OH-CD 3.35Å; Y217-P229 PolarHBondContact OH-O 3.43Å; Y217-P231 HydrophobicContact CE1-CG 4.45Å; Y217-L234 HydrophobicContact CE1-CD1 3.99Å; Y217-L234 HydrophobicContact CE2-CD1 4.08Å
218	K	88.1	Confident	82.7	Confident	107 Å²	107	81.1 Å²	81.1	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.8	-75.1	-175.3	178.5	-171.7	0	112.2	P214 A216 L220 G221 E222	P214-K218 WeakPolarHBondContact O-CG 3.4Å; P214-K218 PolarHBondContact O-N 2.94Å; A216-K218 PolarHBondContact O-N 3.41Å; K218-L220 PolarHBondContact O-N 3.42Å; K218-G221 PolarHBondContact O-N 3.17Å; K218-E222 VanDerWaalsContact O-CB 3.24Å; K218-E222 WeakPolarHBondContact O-CB 3.26Å; K218-E222 WeakPolarHBondContact O-CG 3.17Å; K218-E222 PolarHBondContact O-N 3.14Å
219	Y	89	Confident	82.9	Confident	97 Å²	97	79 Å²	79	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-44.3	177.4	172.9	-93.6	0	0	0	112.2	K215 A216 Y217 K223 R224	K215-Y219 VanDerWaalsContact O-CB 3.31Å; K215-Y219 WeakPolarHBondContact O-CB 3.5Å; K215-Y219 PolarHBondContact O-N 3.45Å; A216-Y219 PolarHBondContact O-N 3.21Å; Y217-Y219 PolarHBondContact O-N 3.48Å; Y219-K223 HydrophobicContact CD2-CB 3.98Å; Y219-K223 HydrophobicContact CD2-CD 3.59Å; Y219-K223 HydrophobicContact CD2-CG 3.97Å; Y219-K223 HydrophobicContact CE2-CB 4.01Å; Y219-K223 HydrophobicContact CE2-CD 3.62Å; Y219-K223 HydrophobicContact CE2-CG 4.26Å; Y219-K223 WeakPolarHBondContact O-CA 2.87Å; Y219-K223 WeakPolarHBondContact O-CB 3.33Å; Y219-K223 PolarHBondContact O-N 3.29Å; Y219-R224 HydrophobicContact CD1-CG 4.32Å; Y219-R224 HydrophobicContact CE1-CG 3.75Å; Y219-R224 PolarHBondContact O-N 3.19Å; Y219-R224 PolarHBondContact OH-NE 3.4Å; Y219-R224 VanDerWaalsContact OH-NE 3.13Å; Y219-R224 PolarHBondContact OH-NH2 3.48Å
220	L	86.6	Confident	83	Confident	53 Å²	53	83.4 Å²	83.4	28%	0.277	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-45	178.2	-71.6	171.2	0	0	0	111.2	L209 A216 Y217 K218 R224 R225 F226 L228	L209-L220 HydrophobicContact CD1-CD1 4.1Å; L209-L220 HydrophobicContact CD2-CD1 3.92Å; L209-L220 HydrophobicContact CG-CD1 4.46Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 VanDerWaalsContact O-CG 3.31Å; A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 2.83Å; Y217-L220 PolarHBondContact O-N 3Å; K218-L220 PolarHBondContact O-N 3.42Å; L220-R224 HydrophobicContact CD2-CB 4.46Å; L220-R224 HydrophobicContact CD2-CG 4.45Å; L220-R224 CarbonylContact O-C 3.59Å; L220-R224 PolarHBondContact O-N 3.33Å; L220-R225 PolarHBondContact O-N 3.21Å; L220-R225 VanDerWaalsContact O-N 3.14Å; L220-F226 HydrophobicContact CB-CB 4.2Å; L220-F226 WeakPolarHBondContact O-CB 3.12Å; L220-F226 PolarHBondContact O-N 3.5Å; L220-L228 HydrophobicContact CB-CD1 3.87Å
221	G	83.4	Confident	83	Confident	28 Å²	28	83.9 Å²	83.9	29%	0.289	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-47.7	178.5	0	0	0	0	0	113.5	Y217 K218 R225	Y217-G221 PolarHBondContact O-N 3.05Å; K218-G221 PolarHBondContact O-N 3.17Å; G221-R225 WeakPolarHBondContact O-CA 3.28Å
222	E	84.4	Confident	83.4	Confident	142 Å²	142	87.8 Å²	87.8	66%	0.664	42%	0.417	S	S	*	.	H	α-helix	trans	-85.3	-47.4	-172.2	-64.4	172	-172.8	0	0	112.8	K218	K218-E222 VanDerWaalsContact O-CB 3.24Å; K218-E222 WeakPolarHBondContact O-CB 3.26Å; K218-E222 WeakPolarHBondContact O-CG 3.17Å; K218-E222 PolarHBondContact O-N 3.14Å
223	K	80.8	Confident	83.9	Confident	154 Å²	154	82.5 Å²	82.5	67%	0.67	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-36	-172.8	-60.8	-157.5	-172.6	177.3	0	113.4	Y219	Y219-K223 HydrophobicContact CD2-CB 3.98Å; Y219-K223 HydrophobicContact CD2-CD 3.59Å; Y219-K223 HydrophobicContact CD2-CG 3.97Å; Y219-K223 HydrophobicContact CE2-CB 4.01Å; Y219-K223 HydrophobicContact CE2-CD 3.62Å; Y219-K223 HydrophobicContact CE2-CG 4.26Å; Y219-K223 WeakPolarHBondContact O-CA 2.87Å; Y219-K223 WeakPolarHBondContact O-CB 3.33Å; Y219-K223 PolarHBondContact O-N 3.29Å
224	R	74.5	Confident	84	Confident	165 Å²	165	81.9 Å²	81.9	62%	0.623	39%	0.388	S	S	*	.	S	Bend	trans	-97.4	-0.5	179	-60.6	-62	-177.5	168.9	1.8	113.3	Y219 L220 F226	Y219-R224 HydrophobicContact CD1-CG 4.32Å; Y219-R224 HydrophobicContact CE1-CG 3.75Å; Y219-R224 PolarHBondContact O-N 3.19Å; Y219-R224 PolarHBondContact OH-NE 3.4Å; Y219-R224 VanDerWaalsContact OH-NE 3.13Å; Y219-R224 PolarHBondContact OH-NH2 3.48Å; L220-R224 HydrophobicContact CD2-CB 4.46Å; L220-R224 HydrophobicContact CD2-CG 4.45Å; L220-R224 CarbonylContact O-C 3.59Å; L220-R224 PolarHBondContact O-N 3.33Å; R224-F226 PolarHBondContact O-N 3.06Å; R224-F226 VanDerWaalsContact O-N 3.11Å
225	R	73.4	Confident	84	Confident	224 Å²	224	84.2 Å²	84.2	85%	0.845	39%	0.394	S	S	*	.			trans	51.1	31.4	179.7	-60.5	-173.1	178.2	-173.3	1	112.9	L220 G221	L220-R225 PolarHBondContact O-N 3.21Å; L220-R225 VanDerWaalsContact O-N 3.14Å; G221-R225 WeakPolarHBondContact O-CA 3.28Å
226	F	76	Confident	83.9	Confident	42 Å²	42	83.1 Å²	83.1	18%	0.184	38%	0.384	C	S	.	.			trans	-63.8	132.2	172.1	-151.5	-108.9	0	0	0	107.6	L186 L188 M191 F205 L220 R224 L228	L186-F226 HydrophobicContact CD2-CE2 3.9Å; L186-F226 HydrophobicContact CD2-CZ 3.66Å; L188-F226 HydrophobicContact CD2-CE2 3.88Å; L188-F226 HydrophobicContact CD2-CZ 3.74Å; M191-F226 HydrophobicContact CE-CD1 3.71Å; M191-F226 HydrophobicContact CE-CE1 3.25Å; M191-F226 HydrophobicContact CE-CZ 4.02Å; M191-F226 HydrophobicContact SD-CE1 3.61Å; M191-F226 HydrophobicContact SD-CZ 3.75Å; F205-F226 AromaticContact CE1-CE1 3.98Å; F205-F226 HydrophobicContact CE1-CE1 3.98Å; F205-F226 HydrophobicContact CZ-CE1 4.06Å; L220-F226 HydrophobicContact CB-CB 4.2Å; L220-F226 WeakPolarHBondContact O-CB 3.12Å; L220-F226 PolarHBondContact O-N 3.5Å; R224-F226 PolarHBondContact O-N 3.06Å; R224-F226 VanDerWaalsContact O-N 3.11Å; F226-L228 VanDerWaalsContact C-N 3.34Å; F226-L228 HydrophobicContact CB-CD1 4.39Å; F226-L228 HydrophobicContact CB-CG 4.28Å; F226-L228 HydrophobicContact CD1-CD1 4.26Å; F226-L228 HydrophobicContact CD1-CD2 3.81Å; F226-L228 HydrophobicContact CD1-CG 3.83Å; F226-L228 HydrophobicContact CE1-CD2 4.37Å; F226-L228 PolarHBondContact O-N 2.98Å
227	P	78.3	Confident	83.7	Confident	70 Å²	70	81.6 Å²	81.6	46%	0.455	37%	0.369	S	S	.	.			trans	-67.8	97.8	-179.1	27.6	-31.1	0	0	0	106.8	M191 Y202	M191-P227 HydrophobicContact CE-CG 3.84Å; M191-P227 WeakPolarHBondContact CE-O 3.32Å; M191-P227 HydrophobicContact SD-CG 4.29Å; Y202-P227 VanDerWaalsContact OH-C 3.26Å; Y202-P227 PolarHBondContact OH-O 3.42Å
228	L	85.4	Confident	83.4	Confident	29 Å²	29	82 Å²	82	15%	0.152	37%	0.371	C	S	.	.			trans	-124.5	143.3	178.9	-70.8	176.4	0	0	0	109.2	M191 F205 L209 Y217 L220 F226	M191-L228 HydrophobicContact CE-CD2 4.22Å; F205-L228 HydrophobicContact CE1-CD2 4.02Å; L209-L228 HydrophobicContact CD2-CD1 3.85Å; L209-L228 HydrophobicContact CD2-CD2 3.93Å; Y217-L228 HydrophobicContact CD2-CD1 4.02Å; Y217-L228 HydrophobicContact CE1-CB 4.24Å; Y217-L228 HydrophobicContact CE1-CD1 4.47Å; Y217-L228 HydrophobicContact CE2-CB 4.27Å; Y217-L228 HydrophobicContact CE2-CD1 3.96Å; Y217-L228 HydrophobicContact CE2-CD2 4.02Å; Y217-L228 HydrophobicContact CE2-CG 4.31Å; Y217-L228 HydrophobicContact CG-CD1 4.31Å; L220-L228 HydrophobicContact CB-CD1 3.87Å; F226-L228 VanDerWaalsContact C-N 3.34Å; F226-L228 HydrophobicContact CB-CD1 4.39Å; F226-L228 HydrophobicContact CB-CG 4.28Å; F226-L228 HydrophobicContact CD1-CD1 4.26Å; F226-L228 HydrophobicContact CD1-CD2 3.81Å; F226-L228 HydrophobicContact CD1-CG 3.83Å; F226-L228 HydrophobicContact CE1-CD2 4.37Å; F226-L228 PolarHBondContact O-N 2.98Å
229	P	87.3	Confident	82.9	Confident	3 Å²	3	81 Å²	81	2%	0.019	38%	0.377	C	S	.	.			trans	-55.8	152.6	172.1	-22.1	30.4	0	0	0	112	Y198 Y202 A206 Y217 T233 L234 W237	Y198-P229 HydrophobicContact CD1-CG 4.15Å; Y198-P229 HydrophobicContact CE1-CB 4.19Å; Y198-P229 HydrophobicContact CE1-CG 3.76Å; Y202-P229 WeakPolarHBondContact OH-CD 3.29Å; A206-P229 HydrophobicContact CB-CG 3.86Å; Y217-P229 WeakPolarHBondContact CE1-O 3.41Å; Y217-P229 WeakPolarHBondContact OH-CD 3.35Å; Y217-P229 PolarHBondContact OH-O 3.43Å; P229-T233 HydrophobicContact CB-CG2 4.3Å; P229-L234 HydrophobicContact CB-CD2 4.15Å; P229-L234 HydrophobicContact CG-CD2 4.35Å; P229-W237 HydrophobicContact CB-CH2 4.01Å; P229-W237 HydrophobicContact CB-CZ3 4.34Å; P229-W237 HydrophobicContact CG-CH2 3.57Å; P229-W237 HydrophobicContact CG-CZ3 3.94Å
230	H	85.9	Confident	82.2	Confident	131 Å²	131	79.2 Å²	79.2	61%	0.606	38%	0.379	S	S	*	.			trans	-66.2	143.8	170.4	-172.1	-95.5	0	0	0	109.4	H232 T233 L234	H230-H232 VanDerWaalsContact ND1-CB 3.28Å; H230-H232 WeakPolarHBondContact ND1-CB 3.36Å; H230-H232 PolarHBondContact ND1-N 2.87Å; H230-H232 VanDerWaalsContact ND1-N 3.18Å; H230-H232 PolarHBondContact O-N 3.38Å; H230-T233 WeakPolarHBondContact O-CA 3.28Å; H230-T233 VanDerWaalsContact O-CB 3.24Å; H230-T233 WeakPolarHBondContact O-CB 3.24Å; H230-T233 PolarHBondContact O-N 3.04Å; H230-L234 PolarHBondContact O-N 3.48Å
231	P	86.6	Confident	81.9	Confident	32 Å²	32	76.9 Å²	76.9	21%	0.208	37%	0.366	C	S	.	.	H	α-helix	trans	-53.9	-29.5	179.2	-30.1	36.2	0	0	0	114.6	Y217 T233 L234 Q235	Y217-P231 HydrophobicContact CE1-CG 4.45Å; P231-T233 VanDerWaalsContact C-N 3.33Å; P231-T233 PolarHBondContact O-N 3.16Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 2.86Å; P231-Q235 WeakPolarHBondContact O-CG 3.4Å; P231-Q235 PolarHBondContact O-N 3.34Å
232	H	84.8	Confident	81.6	Confident	121 Å²	121	77.4 Å²	77.4	56%	0.56	36%	0.362	S	S	*	.	H	α-helix	trans	-64.5	-35.3	173.5	-171.3	60.4	0	0	0	112.9	H230 L234 Q235 R236	H230-H232 VanDerWaalsContact ND1-CB 3.28Å; H230-H232 WeakPolarHBondContact ND1-CB 3.36Å; H230-H232 PolarHBondContact ND1-N 2.87Å; H230-H232 VanDerWaalsContact ND1-N 3.18Å; H230-H232 PolarHBondContact O-N 3.38Å; H232-L234 VanDerWaalsContact C-N 3.34Å; H232-Q235 PolarHBondContact O-N 3.45Å; H232-R236 PolarHBondContact O-N 3.09Å
233	T	86.9	Confident	81.4	Confident	25 Å²	25	71.7 Å²	71.7	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-40.8	173	-53.2	0	0	0	0	110.9	Y198 P229 H230 P231 R236 W237	Y198-T233 HydrophobicContact CE2-CG2 4.06Å; P229-T233 HydrophobicContact CB-CG2 4.3Å; H230-T233 WeakPolarHBondContact O-CA 3.28Å; H230-T233 VanDerWaalsContact O-CB 3.24Å; H230-T233 WeakPolarHBondContact O-CB 3.24Å; H230-T233 PolarHBondContact O-N 3.04Å; P231-T233 VanDerWaalsContact C-N 3.33Å; P231-T233 PolarHBondContact O-N 3.16Å; T233-R236 WeakPolarHBondContact O-CB 3.36Å; T233-R236 PolarHBondContact O-N 3.19Å; T233-W237 HydrophobicContact CG2-CD2 4.3Å; T233-W237 HydrophobicContact CG2-CH2 4.11Å; T233-W237 HydrophobicContact CG2-CZ2 3.53Å; T233-W237 PolarHBondContact O-N 3.37Å
234	L	86.1	Confident	81.7	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-44	174.8	-56.8	-175.8	0	0	0	112	A206 L207 H210 Y217 P229 H230 P231 H232 R236 W237 L238	A206-L234 HydrophobicContact CB-CD2 3.89Å; L207-L234 HydrophobicContact CD2-CB 3.99Å; L207-L234 HydrophobicContact CD2-CD2 4.04Å; L207-L234 HydrophobicContact CD2-CG 4.5Å; L207-L234 HydrophobicContact CG-CD2 4.35Å; H210-L234 HydrophobicContact CB-CD1 3.51Å; Y217-L234 HydrophobicContact CE1-CD1 3.99Å; Y217-L234 HydrophobicContact CE2-CD1 4.08Å; P229-L234 HydrophobicContact CB-CD2 4.15Å; P229-L234 HydrophobicContact CG-CD2 4.35Å; H230-L234 PolarHBondContact O-N 3.48Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 2.86Å; H232-L234 VanDerWaalsContact C-N 3.34Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 2.94Å; L234-W237 HydrophobicContact CD2-CE3 3.63Å; L234-W237 HydrophobicContact CD2-CH2 4.48Å; L234-W237 HydrophobicContact CD2-CZ3 3.46Å; L234-W237 VanDerWaalsContact CD2-CZ3 3.46Å; L234-W237 PolarHBondContact O-N 2.91Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.44Å
235	Q	82.7	Confident	82.5	Confident	106 Å²	106	65 Å²	65	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-43.9	175.5	-73.5	174.1	-11.9	0	0	111.1	P231 H232 W237 L238 C239	P231-Q235 WeakPolarHBondContact O-CG 3.4Å; P231-Q235 PolarHBondContact O-N 3.34Å; H232-Q235 PolarHBondContact O-N 3.45Å; Q235-W237 VanDerWaalsContact C-N 3.35Å; Q235-W237 PolarHBondContact O-N 3.06Å; Q235-L238 PolarHBondContact O-N 3.46Å; Q235-C239 PolarHBondContact O-N 3.26Å; Q235-C239 PolarHBondContact O-SG 2.92Å
236	R	84.1	Confident	83.5	Confident	164 Å²	164	54.7 Å²	54.7	62%	0.619	27%	0.272	S	S	*	.	H	α-helix	trans	-62.8	-39	177.9	-167.7	180	67.7	172	5.2	112.6	H232 T233 L234 C239	H232-R236 PolarHBondContact O-N 3.09Å; T233-R236 WeakPolarHBondContact O-CB 3.36Å; T233-R236 PolarHBondContact O-N 3.19Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 2.94Å; R236-C239 WeakPolarHBondContact O-CB 3.39Å; R236-C239 PolarHBondContact O-N 3.31Å
237	W	84.9	Confident	84.3	Confident	14 Å²	14	54.1 Å²	54.1	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-39.7	173.8	-63.1	-28.6	0	0	0	112.2	Y198 R203 A206 L207 P229 T233 L234 Q235 C239 S240 P633	Y198-W237 AromaticContact CD1-CH2 3.95Å; Y198-W237 HydrophobicContact CD1-CH2 3.95Å; Y198-W237 HydrophobicContact CD1-CZ2 4.14Å; Y198-W237 HydrophobicContact CD2-CH2 4.09Å; Y198-W237 AromaticContact CD2-CZ2 3.43Å; Y198-W237 HydrophobicContact CD2-CZ2 3.43Å; Y198-W237 VanDerWaalsContact CD2-CZ2 3.43Å; Y198-W237 HydrophobicContact CE1-CH2 4.42Å; Y198-W237 HydrophobicContact CE2-CH2 4.49Å; Y198-W237 AromaticContact CE2-CZ2 3.92Å; Y198-W237 HydrophobicContact CE2-CZ2 3.92Å; Y198-W237 AromaticContact CG-CH2 3.76Å; Y198-W237 HydrophobicContact CG-CH2 3.76Å; Y198-W237 AromaticContact CG-CZ2 3.51Å; Y198-W237 HydrophobicContact CG-CZ2 3.51Å; R203-W237 HydrophobicContact CB-CD2 4.49Å; R203-W237 HydrophobicContact CB-CE3 4.06Å; R203-W237 HydrophobicContact CB-CH2 4.3Å; R203-W237 HydrophobicContact CB-CZ3 3.96Å; R203-W237 HydrophobicContact CG-CD2 4.03Å; R203-W237 HydrophobicContact CG-CE3 3.98Å; R203-W237 HydrophobicContact CG-CH2 3.68Å; R203-W237 HydrophobicContact CG-CZ2 3.7Å; R203-W237 HydrophobicContact CG-CZ3 3.81Å; A206-W237 HydrophobicContact CB-CZ3 4.29Å; L207-W237 HydrophobicContact CD1-CB 4.48Å; L207-W237 HydrophobicContact CD1-CE3 4.31Å; L207-W237 HydrophobicContact CD2-CE3 4.4Å; L207-W237 HydrophobicContact CG-CE3 4.17Å; P229-W237 HydrophobicContact CB-CH2 4.01Å; P229-W237 HydrophobicContact CB-CZ3 4.34Å; P229-W237 HydrophobicContact CG-CH2 3.57Å; P229-W237 HydrophobicContact CG-CZ3 3.94Å; T233-W237 HydrophobicContact CG2-CD2 4.3Å; T233-W237 HydrophobicContact CG2-CH2 4.11Å; T233-W237 HydrophobicContact CG2-CZ2 3.53Å; T233-W237 PolarHBondContact O-N 3.37Å; L234-W237 HydrophobicContact CD2-CE3 3.63Å; L234-W237 HydrophobicContact CD2-CH2 4.48Å; L234-W237 HydrophobicContact CD2-CZ3 3.46Å; L234-W237 VanDerWaalsContact CD2-CZ3 3.46Å; L234-W237 PolarHBondContact O-N 2.91Å; Q235-W237 VanDerWaalsContact C-N 3.35Å; Q235-W237 PolarHBondContact O-N 3.06Å; W237-C239 PolarHBondContact O-N 2.96Å; W237-S240 PolarHBondContact O-N 2.9Å; W237-S240 PolarHBondContact O-OG 3.03Å; W237-S240 VanDerWaalsContact O-OG 3.09Å; W237-P633 HydrophobicContact CB-CG 4.36Å; W237-P633 WeakPolarHBondContact O-CG 3.23Å
238	L	81.6	Confident	84.9	Confident	13 Å²	13	51 Å²	51	7%	0.068	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-22.4	176.2	-71.4	165.6	0	0	0	112.4	L207 L234 Q235 S240 V241 R623 R624 V627	L207-L238 HydrophobicContact CD2-CD1 4.07Å; L207-L238 HydrophobicContact CD2-CD2 4.12Å; L207-L238 HydrophobicContact CD2-CG 3.81Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.44Å; Q235-L238 PolarHBondContact O-N 3.46Å; L238-S240 PolarHBondContact O-N 3.22Å; L238-V241 PolarHBondContact O-N 3.31Å; L238-R623 VanDerWaalsContact O-CD 3.28Å; L238-R623 WeakPolarHBondContact O-CD 3.49Å; L238-R623 PolarHBondContact O-NH1 2.87Å; L238-R624 HydrophobicContact CD1-CG 3.95Å; L238-R624 HydrophobicContact CD2-CG 4.38Å; L238-V627 HydrophobicContact CD2-CG2 3.56Å
239	C	77.5	Confident	85.1	Confident	86 Å²	86	56.2 Å²	56.2	58%	0.581	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	177.7	-69.1	0	0	0	0	114.6	Q235 R236 W237	Q235-C239 PolarHBondContact O-N 3.26Å; Q235-C239 PolarHBondContact O-SG 2.92Å; R236-C239 WeakPolarHBondContact O-CB 3.39Å; R236-C239 PolarHBondContact O-N 3.31Å; W237-C239 PolarHBondContact O-N 2.96Å
240	S	76	Confident	85.2	Confident	60 Å²	60	58.6 Å²	58.6	42%	0.42	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.9	176.7	64.3	0	0	0	0	113.7	W237 L238 D242 P633	W237-S240 PolarHBondContact O-N 2.9Å; W237-S240 PolarHBondContact O-OG 3.03Å; W237-S240 VanDerWaalsContact O-OG 3.09Å; L238-S240 PolarHBondContact O-N 3.22Å; S240-D242 PolarHBondContact O-N 3.29Å; S240-P633 WeakPolarHBondContact OG-CA 3.45Å; S240-P633 WeakPolarHBondContact OG-CB 3.18Å; S240-P633 PolarHBondContact OG-OXT 3.2Å
241	V	78.9	Confident	85.4	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	25%	0.254	C	S	.	.	S	Bend	trans	-78.4	120.6	178	-178.8	0	0	0	0	108.8	L238 D243 R623 M626 V627 V631 P633	L238-V241 PolarHBondContact O-N 3.31Å; V241-D243 PolarHBondContact O-N 3.04Å; V241-R623 HydrophobicContact CB-CG 3.98Å; V241-R623 HydrophobicContact CG1-CG 4.14Å; V241-M626 HydrophobicContact CG1-CB 4.14Å; V241-V627 HydrophobicContact CG2-CG2 4.04Å; V241-V631 HydrophobicContact CG1-CG1 4.41Å; V241-P633 HydrophobicContact CG2-CG 4.07Å
242	D	77.8	Confident	85.7	Confident	39 Å²	39	50.9 Å²	50.9	21%	0.209	24%	0.244	C	C	.	.			trans	-63.6	123.2	174	-163.3	-6	0	0	0	109.3	S240 R244 N248 M250	S240-D242 PolarHBondContact O-N 3.29Å; D242-R244 WeakPolarHBondContact OD1-CB 3.43Å; D242-R244 WeakPolarHBondContact OD1-CG 3.41Å; D242-R244 IonicContact OD1-CZ 2.67Å; D242-R244 PolarHBondContact OD1-N 3.2Å; D242-R244 IonicContact OD1-NE 2.66Å; D242-R244 PolarHBondContact OD1-NE 3.38Å; D242-R244 IonicContact OD1-NH2 2.77Å; D242-R244 IonicContact OD2-CZ 3.44Å; D242-R244 IonicContact OD2-NE 3.6Å; D242-R244 PolarHBondContact OD2-NE 3.09Å; D242-R244 IonicContact OD2-NH2 2.78Å; D242-R244 PolarHBondContact OD2-NH2 3.45Å; D242-N248 PolarHBondContact O-ND2 3.21Å; D242-M250 HydrophobicContact CB-SD 4.26Å; D242-M250 PolarHBondContact N-SD 3.09Å
243	D	80	Confident	86	Confident	23 Å²	23	48.3 Å²	48.3	12%	0.123	24%	0.235	C	C	.	.			trans	-125.9	18.3	178.8	75.2	-38.1	0	0	0	112.2	V241 Y324 R623	V241-D243 PolarHBondContact O-N 3.04Å; D243-Y324 PolarHBondContact O-OH 3.33Å; D243-R623 HydrophobicContact CB-CB 3.69Å; D243-R623 HydrophobicContact CB-CG 3.96Å; D243-R623 VanDerWaalsContact CG-CZ 3.41Å; D243-R623 IonicContact OD1-CZ 3.67Å; D243-R623 IonicContact OD1-NE 2.76Å; D243-R623 IonicContact OD1-NH2 3.9Å; D243-R623 PolarHBondContact OD1-NH2 3.03Å; D243-R623 IonicContact OD2-CZ 3.53Å; D243-R623 IonicContact OD2-NE 3.79Å; D243-R623 PolarHBondContact OD2-NE 2.93Å; D243-R623 IonicContact OD2-NH2 3.71Å; D243-R623 PolarHBondContact OD2-NH2 3.26Å
244	R	87.5	Confident	86.1	Confident	168 Å²	168	47.3 Å²	47.3	63%	0.634	23%	0.229	S	C	*	.			trans	-70.1	151.4	175.4	-69.3	176.1	-69.8	175.3	2.8	111.5	D242 Y324	D242-R244 WeakPolarHBondContact OD1-CB 3.43Å; D242-R244 WeakPolarHBondContact OD1-CG 3.41Å; D242-R244 IonicContact OD1-CZ 2.67Å; D242-R244 PolarHBondContact OD1-N 3.2Å; D242-R244 IonicContact OD1-NE 2.66Å; D242-R244 PolarHBondContact OD1-NE 3.38Å; D242-R244 IonicContact OD1-NH2 2.77Å; D242-R244 IonicContact OD2-CZ 3.44Å; D242-R244 IonicContact OD2-NE 3.6Å; D242-R244 PolarHBondContact OD2-NE 3.09Å; D242-R244 IonicContact OD2-NH2 2.78Å; D242-R244 PolarHBondContact OD2-NH2 3.45Å; R244-Y324 VanDerWaalsContact C-OH 3.22Å; R244-Y324 VanDerWaalsContact O-CE1 3.3Å; R244-Y324 WeakPolarHBondContact O-CE1 3.48Å
245	P	91.2	Very high	86.3	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	23%	0.229	C	C	.	.	S	Bend	trans	-58.8	152.6	168.9	-22.6	36.5	0	0	0	110.2	D296 G298 Y324 L326	P245-D296 HydrophobicContact CB-CB 3.99Å; P245-D296 WeakPolarHBondContact CD-OD2 3.34Å; P245-D296 HydrophobicContact CG-CB 3.82Å; P245-D296 VanDerWaalsContact CG-OD2 3.24Å; P245-D296 WeakPolarHBondContact CG-OD2 3.41Å; P245-G298 WeakPolarHBondContact O-CA 3.42Å; P245-Y324 CarbonylContact C-O 3.59Å; P245-Y324 WeakPolarHBondContact CA-O 3.45Å; P245-Y324 HydrophobicContact CB-CD2 4.47Å; P245-Y324 HydrophobicContact CB-CE2 3.93Å; P245-Y324 VanDerWaalsContact CD-OH 3.26Å; P245-Y324 WeakPolarHBondContact CD-OH 3.24Å; P245-Y324 HydrophobicContact CG-CE2 3.73Å; P245-Y324 WeakPolarHBondContact CG-OH 3.41Å; P245-L326 HydrophobicContact CG-CD1 4.02Å; P245-L326 HydrophobicContact CG-CG 4.24Å
246	G	93.1	Very high	86.7	Confident	7 Å²	7	45.2 Å²	45.2	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.8	-169.8	-172.2	0	0	0	0	0	113.5	A323 Y324	G246-A323 VanDerWaalsContact O-CA 3.27Å; G246-A323 WeakPolarHBondContact O-CA 3.4Å; G246-A323 WeakPolarHBondContact O-CB 3.48Å; G246-Y324 PolarHBondContact N-O 2.89Å; G246-Y324 PolarHBondContact O-N 3.46Å
247	L	92.8	Very high	87.1	Confident	31 Å²	31	43.3 Å²	43.3	16%	0.162	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	129	173	-75.9	168.1	0	0	0	110.3	K249 L252 I322 A323 H341 A342 E345	L247-K249 PolarHBondContact O-N 3.06Å; L247-L252 HydrophobicContact CB-CD1 4.17Å; L247-L252 HydrophobicContact CD2-CD1 4.45Å; L247-I322 HydrophobicContact CD2-CD1 4.3Å; L247-A323 HydrophobicContact CD2-CB 3.6Å; L247-A323 HydrophobicContact CG-CB 4.23Å; L247-H341 WeakPolarHBondContact CD1-ND1 3.44Å; L247-A342 HydrophobicContact CD2-CB 4.1Å; L247-E345 HydrophobicContact CD1-CB 4.07Å; L247-E345 HydrophobicContact CD1-CG 3.78Å
248	N	91.5	Very high	87.3	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.027	22%	0.22	C	C	.	.			trans	-86.8	103.5	-179.5	-167.7	-76.2	0	0	0	110.9	D242 M250 M251 L252 I322 M626	D242-N248 PolarHBondContact O-ND2 3.21Å; N248-M250 VanDerWaalsContact C-N 3.33Å; N248-M250 PolarHBondContact O-N 3.47Å; N248-M250 WeakPolarHBondContact OD1-CB 3.18Å; N248-M250 PolarHBondContact OD1-N 2.99Å; N248-M251 HydrophobicContact CB-CB 4.21Å; N248-M251 HydrophobicContact CB-CG 4.18Å; N248-M251 PolarHBondContact O-N 3.25Å; N248-M251 PolarHBondContact OD1-N 2.99Å; N248-L252 WeakPolarHBondContact O-CG 3.45Å; N248-L252 PolarHBondContact O-N 2.78Å; N248-I322 PolarHBondContact N-O 3.31Å; N248-M626 HydrophobicContact CB-CE 3.79Å; N248-M626 WeakPolarHBondContact ND2-CE 3.44Å; N248-M626 WeakPolarHBondContact OD1-CE 3.41Å
249	K	90.2	Very high	87.7	Confident	137 Å²	137	44.9 Å²	44.9	60%	0.596	22%	0.219	S	C	*	.	H	α-helix	trans	-58.1	-42.3	-179.7	-63.7	-174.2	179.4	-174.2	0	112.6	L247 M251 L252 D253	L247-K249 PolarHBondContact O-N 3.06Å; K249-M251 VanDerWaalsContact C-N 3.3Å; K249-M251 PolarHBondContact O-N 2.88Å; K249-L252 PolarHBondContact O-N 3.46Å; K249-L252 VanDerWaalsContact O-N 3.09Å; K249-D253 WeakPolarHBondContact O-CB 3.28Å; K249-D253 PolarHBondContact O-N 3.14Å
250	M	89.5	Confident	88.3	Confident	54 Å²	54	47.3 Å²	47.3	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-61.1	-37.5	180	-58.6	-178.8	80.7	0	0	112.6	D242 N248 M254 V631	D242-M250 HydrophobicContact CB-SD 4.26Å; D242-M250 PolarHBondContact N-SD 3.09Å; N248-M250 VanDerWaalsContact C-N 3.33Å; N248-M250 PolarHBondContact O-N 3.47Å; N248-M250 WeakPolarHBondContact OD1-CB 3.18Å; N248-M250 PolarHBondContact OD1-N 2.99Å; M250-M254 WeakPolarHBondContact O-CB 3.46Å; M250-M254 PolarHBondContact O-N 2.9Å; M250-M254 VanDerWaalsContact O-N 3.11Å; M250-V631 HydrophobicContact CB-CG1 3.82Å; M250-V631 HydrophobicContact CE-CG1 3.99Å; M250-V631 HydrophobicContact SD-CG1 4.28Å
251	M	90.3	Very high	89	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-47.3	172.4	-73.9	-68.9	-56.8	0	0	111.6	N248 K249 D253 M254 L255 A320 M626 C629 V631	N248-M251 HydrophobicContact CB-CB 4.21Å; N248-M251 HydrophobicContact CB-CG 4.18Å; N248-M251 PolarHBondContact O-N 3.25Å; N248-M251 PolarHBondContact OD1-N 2.99Å; K249-M251 VanDerWaalsContact C-N 3.3Å; K249-M251 PolarHBondContact O-N 2.88Å; M251-D253 VanDerWaalsContact C-N 3.3Å; M251-D253 PolarHBondContact O-N 2.87Å; M251-M254 HydrophobicContact CE-CE 3.45Å; M251-M254 VanDerWaalsContact CE-CE 3.45Å; M251-M254 WeakPolarHBondContact O-CB 3.36Å; M251-M254 PolarHBondContact O-N 3.45Å; M251-M254 VanDerWaalsContact O-N 3.14Å; M251-M254 HydrophobicContact SD-CE 3.85Å; M251-L255 VanDerWaalsContact O-CG 3.28Å; M251-L255 WeakPolarHBondContact O-CG 3.19Å; M251-L255 PolarHBondContact O-N 2.88Å; M251-A320 HydrophobicContact CE-CB 3.3Å; M251-M626 HydrophobicContact CB-CE 4.27Å; M251-M626 HydrophobicContact CG-CE 2.98Å; M251-M626 HydrophobicContact CG-SD 3.63Å; M251-M626 HydrophobicContact SD-CE 3.7Å; M251-M626 HydrophobicContact SD-SD 3.67Å; M251-M626 VanDerWaalsContact SD-SD 3.67Å; M251-C629 HydrophobicContact CE-CB 3.98Å; M251-C629 HydrophobicContact SD-CB 4.21Å; M251-V631 HydrophobicContact CG-CG2 3.86Å; M251-V631 HydrophobicContact SD-CB 4.25Å; M251-V631 HydrophobicContact SD-CG2 3.11Å; M251-V631 WeakPolarHBondContact SD-CG2 3.42Å
252	L	91.8	Very high	89.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-43.5	-178.7	-68.2	172.6	0	0	0	111	L247 N248 K249 M254 L255 E256 I322 E345 L346 R349	L247-L252 HydrophobicContact CB-CD1 4.17Å; L247-L252 HydrophobicContact CD2-CD1 4.45Å; N248-L252 WeakPolarHBondContact O-CG 3.45Å; N248-L252 PolarHBondContact O-N 2.78Å; K249-L252 PolarHBondContact O-N 3.46Å; K249-L252 VanDerWaalsContact O-N 3.09Å; L252-M254 VanDerWaalsContact C-N 3.32Å; L252-M254 PolarHBondContact O-N 2.73Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.42Å; L252-L255 VanDerWaalsContact O-N 3.15Å; L252-E256 PolarHBondContact O-N 3.17Å; L252-I322 HydrophobicContact CD2-CB 4.2Å; L252-I322 HydrophobicContact CD2-CG2 4.13Å; L252-E345 HydrophobicContact CD1-CB 4.3Å; L252-L346 HydrophobicContact CD2-CD2 3.73Å; L252-L346 HydrophobicContact CD2-CG 4.39Å; L252-R349 WeakPolarHBondContact O-CD 3.46Å
253	D	90.9	Very high	89.9	Confident	67 Å²	67	57 Å²	57	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-68.8	-31.5	177.5	-56.1	-14.5	0	0	0	111.7	K249 M251 R257 R349	K249-D253 WeakPolarHBondContact O-CB 3.28Å; K249-D253 PolarHBondContact O-N 3.14Å; M251-D253 VanDerWaalsContact C-N 3.3Å; M251-D253 PolarHBondContact O-N 2.87Å; D253-R257 WeakPolarHBondContact O-CG 3.43Å; D253-R257 PolarHBondContact O-N 2.89Å; D253-R257 VanDerWaalsContact O-N 3.13Å; D253-R349 IonicContact OD1-CZ 2.66Å; D253-R349 IonicContact OD1-NE 3.34Å; D253-R349 PolarHBondContact OD1-NE 2.94Å; D253-R349 IonicContact OD1-NH2 3.32Å; D253-R349 PolarHBondContact OD1-NH2 3.13Å; D253-R349 VanDerWaalsContact OD1-NH2 3.13Å
254	M	89.1	Confident	90.1	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-39.7	170.3	179.1	-86.2	-63.2	0	0	112	M250 M251 L252 K258 C629 V631	M250-M254 WeakPolarHBondContact O-CB 3.46Å; M250-M254 PolarHBondContact O-N 2.9Å; M250-M254 VanDerWaalsContact O-N 3.11Å; M251-M254 HydrophobicContact CE-CE 3.45Å; M251-M254 VanDerWaalsContact CE-CE 3.45Å; M251-M254 WeakPolarHBondContact O-CB 3.36Å; M251-M254 PolarHBondContact O-N 3.45Å; M251-M254 VanDerWaalsContact O-N 3.14Å; M251-M254 HydrophobicContact SD-CE 3.85Å; L252-M254 VanDerWaalsContact C-N 3.32Å; L252-M254 PolarHBondContact O-N 2.73Å; M254-K258 PolarHBondContact O-N 3Å; M254-K258 HydrophobicContact SD-CD 3.82Å; M254-K258 VanDerWaalsContact SD-CE 3.53Å; M254-K258 HydrophobicContact SD-CG 4.42Å; M254-C629 WeakPolarHBondContact CE-O 3.44Å; M254-V631 HydrophobicContact CB-CG2 4.45Å; M254-V631 HydrophobicContact CE-CG2 4.36Å
255	L	90.4	Very high	89.9	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-39.1	175.1	-65.2	174.5	0	0	0	111.4	M251 L252 K258 C259 V315 L318 A320 I322 L346 I351	M251-L255 VanDerWaalsContact O-CG 3.28Å; M251-L255 WeakPolarHBondContact O-CG 3.19Å; M251-L255 PolarHBondContact O-N 2.88Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.42Å; L252-L255 VanDerWaalsContact O-N 3.15Å; L255-K258 PolarHBondContact O-N 2.92Å; L255-C259 WeakPolarHBondContact O-CB 3.2Å; L255-C259 PolarHBondContact O-N 3.07Å; L255-V315 HydrophobicContact CD1-CG2 3.74Å; L255-V315 HydrophobicContact CD2-CG2 4.38Å; L255-L318 HydrophobicContact CD2-CB 3.78Å; L255-L318 HydrophobicContact CD2-CD1 3.36Å; L255-L318 HydrophobicContact CD2-CG 4.18Å; L255-A320 HydrophobicContact CD1-CB 4.29Å; L255-A320 HydrophobicContact CD2-CB 3.76Å; L255-A320 HydrophobicContact CG-CB 4.42Å; L255-I322 HydrophobicContact CD1-CG2 3.59Å; L255-L346 HydrophobicContact CD1-CD2 4.49Å; L255-I351 HydrophobicContact CB-CD1 3.52Å; L255-I351 HydrophobicContact CD1-CD1 4.46Å
256	E	92.3	Very high	89.6	Confident	61 Å²	61	59.8 Å²	59.8	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-50	175.3	-173.6	-178.4	-179.1	0	0	111.4	L252 K258 C259 Q260 R349	L252-E256 PolarHBondContact O-N 3.17Å; E256-K258 VanDerWaalsContact C-N 3.31Å; E256-K258 PolarHBondContact O-N 3.07Å; E256-C259 CarbonylContact O-C 3.32Å; E256-C259 WeakPolarHBondContact O-CA 3.44Å; E256-C259 VanDerWaalsContact O-CB 3.32Å; E256-C259 WeakPolarHBondContact O-CB 3.37Å; E256-C259 PolarHBondContact O-N 3.46Å; E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.43Å; E256-Q260 PolarHBondContact OE1-NE2 3.25Å; E256-R349 HydrophobicContact CB-CB 3.99Å; E256-R349 HydrophobicContact CB-CG 4.13Å; E256-R349 HydrophobicContact CG-CB 4.01Å; E256-R349 HydrophobicContact CG-CG 4.2Å
257	R	90.9	Very high	89.4	Confident	124 Å²	124	59.4 Å²	59.4	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-57.2	-44	176.8	-72.9	-177.4	-65.1	116.9	-8.1	112.1	D253 C259 Q260 E261	D253-R257 WeakPolarHBondContact O-CG 3.43Å; D253-R257 PolarHBondContact O-N 2.89Å; D253-R257 VanDerWaalsContact O-N 3.13Å; R257-C259 VanDerWaalsContact C-N 3.34Å; R257-C259 PolarHBondContact O-N 3.41Å; R257-Q260 WeakPolarHBondContact O-CB 3.41Å; R257-Q260 PolarHBondContact O-N 2.74Å; R257-E261 WeakPolarHBondContact O-CG 3.16Å; R257-E261 PolarHBondContact O-N 3.49Å
258	K	89.2	Confident	89.2	Confident	55 Å²	55	61.5 Å²	61.5	24%	0.239	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-40.1	175.7	-71.3	-173.2	179.2	172.3	0	111.8	M254 L255 E256 Q260 E261 D262 Y266 L318	M254-K258 PolarHBondContact O-N 3Å; M254-K258 HydrophobicContact SD-CD 3.82Å; M254-K258 VanDerWaalsContact SD-CE 3.53Å; M254-K258 HydrophobicContact SD-CG 4.42Å; L255-K258 PolarHBondContact O-N 2.92Å; E256-K258 VanDerWaalsContact C-N 3.31Å; E256-K258 PolarHBondContact O-N 3.07Å; K258-Q260 VanDerWaalsContact C-N 3.28Å; K258-Q260 PolarHBondContact O-N 2.9Å; K258-E261 WeakPolarHBondContact O-CB 3.35Å; K258-E261 PolarHBondContact O-N 3.1Å; K258-D262 PolarHBondContact O-N 2.77Å; K258-D262 VanDerWaalsContact O-N 3.07Å; K258-Y266 HydrophobicContact CB-CD2 4.05Å; K258-Y266 HydrophobicContact CB-CE2 4.33Å; K258-Y266 HydrophobicContact CB-CG 4.29Å; K258-Y266 WeakPolarHBondContact O-CD2 3.28Å; K258-L318 HydrophobicContact CB-CD1 4.04Å; K258-L318 HydrophobicContact CD-CD1 3.92Å; K258-L318 HydrophobicContact CD-CD2 3.54Å; K258-L318 HydrophobicContact CD-CG 4.39Å
259	C	90.1	Very high	89.3	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-39.1	174.8	-169	0	0	0	0	112	L255 E256 R257 D262 H263 G350 I351	L255-C259 WeakPolarHBondContact O-CB 3.2Å; L255-C259 PolarHBondContact O-N 3.07Å; E256-C259 CarbonylContact O-C 3.32Å; E256-C259 WeakPolarHBondContact O-CA 3.44Å; E256-C259 VanDerWaalsContact O-CB 3.32Å; E256-C259 WeakPolarHBondContact O-CB 3.37Å; E256-C259 PolarHBondContact O-N 3.46Å; R257-C259 VanDerWaalsContact C-N 3.34Å; R257-C259 PolarHBondContact O-N 3.41Å; C259-D262 CarbonylContact O-C 3.49Å; C259-H263 VanDerWaalsContact O-CA 3.24Å; C259-H263 WeakPolarHBondContact O-CA 3.42Å; C259-H263 PolarHBondContact O-N 3.2Å; C259-H263 PolarHBondContact SG-ND1 3.21Å; C259-G350 PolarHBondContact SG-O 2.95Å; C259-G350 VanDerWaalsContact SG-O 3.38Å; C259-I351 HydrophobicContact CB-CG1 4.12Å
260	Q	91.7	Very high	89.6	Confident	136 Å²	136	55.2 Å²	55.2	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-68.7	-33.6	175.2	-67.7	169.2	-3.4	0	0	112.6	E256 R257 K258	E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.43Å; E256-Q260 PolarHBondContact OE1-NE2 3.25Å; R257-Q260 WeakPolarHBondContact O-CB 3.41Å; R257-Q260 PolarHBondContact O-N 2.74Å; K258-Q260 VanDerWaalsContact C-N 3.28Å; K258-Q260 PolarHBondContact O-N 2.9Å
261	E	90.7	Very high	89.9	Confident	140 Å²	140	52.7 Å²	52.7	65%	0.654	26%	0.256	S	S	*	.	H	α-helix	trans	-66.8	-46.8	175.1	-72.6	168.9	-169.4	0	0	112.5	R257 K258	R257-E261 WeakPolarHBondContact O-CG 3.16Å; R257-E261 PolarHBondContact O-N 3.49Å; K258-E261 WeakPolarHBondContact O-CB 3.35Å; K258-E261 PolarHBondContact O-N 3.1Å
262	D	87.8	Confident	90.2	Very high	66 Å²	66	52.7 Å²	52.7	35%	0.353	26%	0.256	S	S	.	.			trans	-149.4	89	-179.6	-175	-11.3	0	0	0	110.9	K258 C259 A264 K265 Y266	K258-D262 PolarHBondContact O-N 2.77Å; K258-D262 VanDerWaalsContact O-N 3.07Å; C259-D262 CarbonylContact O-C 3.49Å; D262-A264 VanDerWaalsContact C-N 3.29Å; D262-A264 PolarHBondContact O-N 3.33Å; D262-A264 PolarHBondContact OD1-N 3.43Å; D262-K265 HydrophobicContact CB-CB 4.1Å; D262-K265 PolarHBondContact O-N 3.16Å; D262-K265 WeakPolarHBondContact OD1-CB 3.42Å; D262-K265 PolarHBondContact OD1-N 3.09Å; D262-K265 WeakPolarHBondContact OD2-CB 3.4Å; D262-Y266 HydrophobicContact CB-CD2 3.93Å; D262-Y266 HydrophobicContact CB-CE2 4Å; D262-Y266 VanDerWaalsContact O-CD2 3.28Å; D262-Y266 WeakPolarHBondContact O-CD2 3.45Å; D262-Y266 PolarHBondContact O-N 2.77Å
263	H	87.5	Confident	90.3	Very high	101 Å²	101	52.7 Å²	52.7	47%	0.468	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-34.2	-178.8	-172.2	74.2	0	0	0	112.4	C259 K265 G267 G350	C259-H263 VanDerWaalsContact O-CA 3.24Å; C259-H263 WeakPolarHBondContact O-CA 3.42Å; C259-H263 PolarHBondContact O-N 3.2Å; C259-H263 PolarHBondContact SG-ND1 3.21Å; H263-K265 PolarHBondContact O-N 2.78Å; H263-G267 VanDerWaalsContact O-CA 3.25Å; H263-G267 WeakPolarHBondContact O-CA 3.31Å; H263-G267 PolarHBondContact O-N 2.67Å; H263-G350 PolarHBondContact CE1-O 3.47Å
264	A	83.9	Confident	90.5	Very high	87 Å²	87	50.6 Å²	50.6	72%	0.719	25%	0.245	S	C	*	.	H	α-helix	trans	-64.9	-33.1	179.6	0	0	0	0	0	111.6	D262	D262-A264 VanDerWaalsContact C-N 3.29Å; D262-A264 PolarHBondContact O-N 3.33Å; D262-A264 PolarHBondContact OD1-N 3.43Å
265	K	83.4	Confident	90.7	Very high	128 Å²	128	52 Å²	52	56%	0.557	26%	0.258	S	S	*	.	H	α-helix	trans	-88.6	-35.5	-179.6	-171.8	178.3	178	-167.8	0	114	D262 H263	D262-K265 HydrophobicContact CB-CB 4.1Å; D262-K265 PolarHBondContact O-N 3.16Å; D262-K265 WeakPolarHBondContact OD1-CB 3.42Å; D262-K265 PolarHBondContact OD1-N 3.09Å; D262-K265 WeakPolarHBondContact OD2-CB 3.4Å; H263-K265 PolarHBondContact O-N 2.78Å
266	Y	85.2	Confident	90.8	Very high	43 Å²	43	51.9 Å²	51.9	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-116.9	-7.9	-169.8	-55.1	-58.1	0	0	0	114.6	K258 D262 F268 L318	K258-Y266 HydrophobicContact CB-CD2 4.05Å; K258-Y266 HydrophobicContact CB-CE2 4.33Å; K258-Y266 HydrophobicContact CB-CG 4.29Å; K258-Y266 WeakPolarHBondContact O-CD2 3.28Å; D262-Y266 HydrophobicContact CB-CD2 3.93Å; D262-Y266 HydrophobicContact CB-CE2 4Å; D262-Y266 VanDerWaalsContact O-CD2 3.28Å; D262-Y266 WeakPolarHBondContact O-CD2 3.45Å; D262-Y266 PolarHBondContact O-N 2.77Å; Y266-F268 VanDerWaalsContact C-N 3.26Å; Y266-F268 PolarHBondContact O-N 3.28Å; Y266-L318 HydrophobicContact CD1-CD1 3.69Å; Y266-L318 HydrophobicContact CD1-CD2 3.4Å; Y266-L318 VanDerWaalsContact CD1-CD2 3.4Å; Y266-L318 HydrophobicContact CD1-CG 3.52Å; Y266-L318 HydrophobicContact CE1-CD1 4.4Å; Y266-L318 HydrophobicContact CE1-CD2 3.26Å; Y266-L318 HydrophobicContact CE1-CG 3.93Å; Y266-L318 HydrophobicContact CG-CD1 4.04Å; Y266-L318 HydrophobicContact CG-CD2 4.35Å; Y266-L318 HydrophobicContact CG-CG 4.36Å
267	G	87.1	Confident	90.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-72.3	-15.7	179.2	0	0	0	0	0	114.2	H263 R352	H263-G267 VanDerWaalsContact O-CA 3.25Å; H263-G267 WeakPolarHBondContact O-CA 3.31Å; H263-G267 PolarHBondContact O-N 2.67Å; G267-R352 WeakPolarHBondContact O-CB 3.42Å; G267-R352 PolarHBondContact O-N 3.45Å
268	F	90.3	Very high	91	Very high	74 Å²	74	46.6 Å²	46.6	33%	0.325	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.9	-178.5	-60.3	-87.2	0	0	0	111.5	Y266 R352 L354	Y266-F268 VanDerWaalsContact C-N 3.26Å; Y266-F268 PolarHBondContact O-N 3.28Å; F268-R352 WeakPolarHBondContact CA-O 3.49Å; F268-R352 HydrophobicContact CD1-CB 4.27Å; F268-R352 HydrophobicContact CD1-CG 4.46Å; F268-L354 HydrophobicContact CB-CD1 3.81Å; F268-L354 HydrophobicContact CB-CG 4.32Å; F268-L354 HydrophobicContact CD1-CD1 4.18Å; F268-L354 HydrophobicContact CD1-CD2 3.94Å; F268-L354 HydrophobicContact CD1-CG 4.11Å; F268-L354 HydrophobicContact CG-CD1 4.4Å
269	V	93.9	Very high	91.2	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.2	-177.4	-58.4	0	0	0	0	112.5	V315 I351 R352 V353 L354	V269-V315 HydrophobicContact CB-CB 4.23Å; V269-V315 HydrophobicContact CG2-CB 4.19Å; V269-V315 HydrophobicContact CG2-CG1 4.15Å; V269-I351 HydrophobicContact CB-CG2 4.4Å; V269-I351 HydrophobicContact CG1-CG2 3.93Å; V269-I351 HydrophobicContact CG2-CG2 3.58Å; V269-R352 PolarHBondContact N-O 3.26Å; V269-V353 HydrophobicContact CG2-CG2 4.01Å; V269-V353 WeakPolarHBondContact O-CA 3.3Å; V269-L354 PolarHBondContact O-N 2.8Å
270	A	94.9	Very high	91.4	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.9	164.7	0	0	0	0	0	109.6	V315 V316 C355 F591	A270-V315 CarbonylContact O-C 3.35Å; A270-V315 WeakPolarHBondContact O-CA 3.3Å; A270-V316 PolarHBondContact N-O 2.84Å; A270-V316 VanDerWaalsContact N-O 3.13Å; A270-V316 PolarHBondContact O-N 2.97Å; A270-C355 CarbonylContact C-O 3.44Å; A270-C355 WeakPolarHBondContact CA-O 3.29Å; A270-F591 HydrophobicContact CB-CD1 3.79Å; A270-F591 HydrophobicContact CB-CE1 4.19Å
271	L	96.4	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.5	175.3	179.6	64.2	0	0	0	109.4	L273 F313 V315 I322 L343 V353 C355 I356 T357	L271-L273 HydrophobicContact CD2-CD1 4.31Å; L271-L273 HydrophobicContact CG-CD1 4.07Å; L271-F313 HydrophobicContact CD1-CB 4.2Å; L271-V315 HydrophobicContact CD1-CG1 4.12Å; L271-I322 HydrophobicContact CD1-CD1 3.92Å; L271-L343 HydrophobicContact CD2-CD2 4.34Å; L271-V353 HydrophobicContact CB-CG1 3.71Å; L271-C355 PolarHBondContact N-O 2.88Å; L271-I356 HydrophobicContact CB-CG1 4.39Å; L271-I356 HydrophobicContact CD2-CD1 4.32Å; L271-I356 HydrophobicContact CD2-CG1 4.44Å; L271-I356 CarbonylContact O-C 3.54Å; L271-I356 VanDerWaalsContact O-CA 3.25Å; L271-I356 WeakPolarHBondContact O-CA 3.45Å; L271-T357 PolarHBondContact O-N 3.05Å
272	I	96.6	Very high	91.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.6	-179.2	-55.4	-162.2	0	0	0	109.4	F313 M314 V316 S592 Q593 L596	I272-F313 WeakPolarHBondContact O-CA 3.3Å; I272-M314 PolarHBondContact N-O 3.48Å; I272-M314 PolarHBondContact O-N 2.84Å; I272-V316 HydrophobicContact CD1-CB 4.18Å; I272-V316 HydrophobicContact CD1-CG2 3.31Å; I272-V316 HydrophobicContact CG1-CG2 3.79Å; I272-S592 WeakPolarHBondContact CD1-O 3.08Å; I272-Q593 HydrophobicContact CG2-CB 4.3Å; I272-Q593 HydrophobicContact CG2-CG 3.77Å; I272-L596 HydrophobicContact CG2-CB 4.07Å; I272-L596 HydrophobicContact CG2-CD2 4.07Å
273	L	94.9	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.8	177.8	-62.1	91.8	0	0	0	110	L271 F313 V339 I356 T357 Q593	L271-L273 HydrophobicContact CD2-CD1 4.31Å; L271-L273 HydrophobicContact CG-CD1 4.07Å; L273-F313 HydrophobicContact CB-CD1 4.47Å; L273-F313 HydrophobicContact CD2-CD1 3.72Å; L273-F313 HydrophobicContact CD2-CE1 3.19Å; L273-F313 HydrophobicContact CD2-CE2 4.26Å; L273-F313 HydrophobicContact CD2-CG 4.48Å; L273-F313 HydrophobicContact CD2-CZ 3.51Å; L273-F313 HydrophobicContact CG-CD1 3.81Å; L273-F313 HydrophobicContact CG-CE1 3.83Å; L273-F313 HydrophobicContact CG-CG 4.44Å; L273-F313 HydrophobicContact CG-CZ 4.43Å; L273-V339 HydrophobicContact CD2-CG2 3.51Å; L273-I356 HydrophobicContact CD1-CG2 3.17Å; L273-T357 PolarHBondContact N-O 2.86Å; L273-Q593 PolarHBondContact O-NE2 3.04Å
274	D	94.8	Very high	91.5	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.4	166.2	-161.6	10.2	0	0	0	110	M312 L596 F600	D274-M312 PolarHBondContact N-O 2.84Å; D274-M312 PolarHBondContact O-N 3.07Å; D274-L596 HydrophobicContact CB-CD2 3.43Å; D274-L596 VanDerWaalsContact CB-CD2 3.43Å; D274-L596 HydrophobicContact CB-CG 4.28Å; D274-L596 VanDerWaalsContact N-CD2 3.29Å; D274-F600 HydrophobicContact CB-CE2 3.93Å; D274-F600 HydrophobicContact CB-CZ 4.15Å
275	A	92.8	Very high	91.3	Very high	35 Å²	35	49.6 Å²	49.6	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.9	179.8	0	0	0	0	0	111.3	E309 A310 L311	A275-E309 HydrophobicContact CB-CB 4.46Å; A275-A310 WeakPolarHBondContact CA-O 3.23Å; A275-L311 HydrophobicContact CB-CD1 4.35Å
276	M	92.4	Very high	91.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.1	173.2	-171.3	-173.8	80	0	0	110.2	I278 E309 A310 F600 I603 R604 P613 F618	M276-I278 HydrophobicContact CE-CG2 3.82Å; M276-I278 PolarHBondContact O-N 3.21Å; M276-E309 CarbonylContact O-C 3.37Å; M276-E309 VanDerWaalsContact O-CA 3.29Å; M276-E309 WeakPolarHBondContact O-CA 3.48Å; M276-A310 PolarHBondContact N-O 3.32Å; M276-A310 PolarHBondContact O-N 2.89Å; M276-F600 HydrophobicContact CB-CD1 3.91Å; M276-F600 HydrophobicContact CB-CD2 4.23Å; M276-F600 HydrophobicContact CB-CE1 3.84Å; M276-F600 HydrophobicContact CB-CE2 4.13Å; M276-F600 HydrophobicContact CB-CG 4.12Å; M276-F600 HydrophobicContact CB-CZ 3.94Å; M276-F600 HydrophobicContact CG-CD1 4.33Å; M276-F600 HydrophobicContact CG-CG 4.24Å; M276-F600 HydrophobicContact SD-CB 4.04Å; M276-F600 HydrophobicContact SD-CD1 4.07Å; M276-F600 HydrophobicContact SD-CG 4.15Å; M276-I603 HydrophobicContact CE-CG2 4Å; M276-I603 HydrophobicContact SD-CG2 4.35Å; M276-R604 HydrophobicContact SD-CG 4.22Å; M276-P613 HydrophobicContact CE-CG 3.79Å; M276-F618 HydrophobicContact CE-CD2 3.56Å; M276-F618 HydrophobicContact CE-CE2 3.7Å
277	A	92.9	Very high	90.6	Very high	64 Å²	64	56.7 Å²	56.7	53%	0.529	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.4	169.9	0	0	0	0	0	111.4
278	I	94.1	Very high	90.1	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.046	30%	0.304	C	S	.	.			trans	-121.3	159.6	175.6	58.4	167.8	0	0	0	110.5	M276 K280 A307 T308 A310 L326 N612 P613 A615 F618	M276-I278 HydrophobicContact CE-CG2 3.82Å; M276-I278 PolarHBondContact O-N 3.21Å; I278-K280 PolarHBondContact O-N 2.98Å; I278-A307 HydrophobicContact CD1-CB 3.97Å; I278-T308 WeakPolarHBondContact CG1-O 3.19Å; I278-T308 PolarHBondContact N-O 2.98Å; I278-A310 HydrophobicContact CG2-CB 4.03Å; I278-L326 HydrophobicContact CD1-CD2 3.9Å; I278-N612 VanDerWaalsContact C-OD1 3.25Å; I278-N612 WeakPolarHBondContact CA-OD1 3.3Å; I278-P613 WeakPolarHBondContact CB-O 3.49Å; I278-A615 HydrophobicContact CD1-CB 4.17Å; I278-F618 HydrophobicContact CG2-CD2 4.34Å
279	R	93.6	Very high	89.7	Confident	93 Å²	93	64.1 Å²	64.1	35%	0.351	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-74.4	120	178.5	-174.8	175.6	66.8	-172.4	1.9	110	H281 N612 P613	R279-H281 PolarHBondContact O-N 3.33Å; R279-N612 PolarHBondContact N-OD1 3.26Å; R279-P613 PolarHBondContact N-O 3.09Å
280	K	93.4	Very high	89.2	Confident	148 Å²	148	66.1 Å²	66.1	64%	0.643	34%	0.337	S	S	*	.			trans	-57.5	105.4	169.8	-54.7	-165	-168.9	-157.6	0	109.7	I278 V306 T308	I278-K280 PolarHBondContact O-N 2.98Å; K280-V306 HydrophobicContact CB-CG1 4.08Å; K280-T308 HydrophobicContact CD-CG2 3.76Å; K280-T308 HydrophobicContact CG-CG2 3.94Å
281	H	91.9	Very high	88.8	Confident	81 Å²	81	68.6 Å²	68.6	38%	0.375	35%	0.349	S	S	.	.			trans	-160.8	122.3	-177.9	-175.7	60.7	0	0	0	110	R279	R279-H281 PolarHBondContact O-N 3.33Å
282	V	91.3	Very high	88.3	Confident	53 Å²	53	69.4 Å²	69.4	32%	0.321	36%	0.355	S	S	.	.			trans	-95.3	130.2	173.4	-179	0	0	0	0	108.7	L291 S292 F294 V306	V282-L291 HydrophobicContact CG1-CB 4.36Å; V282-L291 HydrophobicContact CG1-CD2 3.99Å; V282-S292 CarbonylContact C-O 3.55Å; V282-S292 VanDerWaalsContact CA-O 3.28Å; V282-S292 WeakPolarHBondContact CA-O 3.31Å; V282-F294 HydrophobicContact CG1-CE2 3.92Å; V282-F294 HydrophobicContact CG1-CZ 3.8Å; V282-F294 HydrophobicContact CG2-CD1 4.43Å; V282-F294 HydrophobicContact CG2-CE1 3.9Å; V282-F294 HydrophobicContact CG2-CZ 3.97Å; V282-V306 HydrophobicContact CG2-CG1 4.22Å; V282-V306 HydrophobicContact CG2-CG2 3.74Å
283	Q	89.1	Confident	87.8	Confident	90 Å²	90	69.6 Å²	69.6	42%	0.421	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	179.1	-173.6	174.2	10.1	0	0	110.2	S292	Q283-S292 PolarHBondContact N-O 3.37Å; Q283-S292 PolarHBondContact O-N 3.07Å; Q283-S292 PolarHBondContact O-OG 3.5Å
284	Y	87.6	Confident	87.7	Confident	121 Å²	121	70.5 Å²	70.5	48%	0.475	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.4	170.9	-174.8	-108.9	0	0	0	110.3	L286 L291	Y284-L286 HydrophobicContact CD1-CG 4.26Å; Y284-L286 HydrophobicContact CE1-CD2 4.43Å; Y284-L286 HydrophobicContact CE1-CG 4.16Å; Y284-L291 HydrophobicContact CD2-CD2 3.78Å; Y284-L291 HydrophobicContact CD2-CG 4.15Å; Y284-L291 HydrophobicContact CG-CD2 4.33Å
285	N	80.4	Confident	87.5	Confident	69 Å²	69	70.1 Å²	70.1	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.6	174.9	-177.2	-16.1	0	0	0	109.6	H287 T288 Q289 S290	N285-H287 PolarHBondContact O-N 3.33Å; N285-H287 WeakPolarHBondContact OD1-CB 3.24Å; N285-H287 PolarHBondContact OD1-N 3.32Å; N285-T288 VanDerWaalsContact CB-OG1 3.28Å; N285-T288 WeakPolarHBondContact CB-OG1 3.28Å; N285-T288 VanDerWaalsContact CG-OG1 3.26Å; N285-T288 PolarHBondContact ND2-OG1 3.24Å; N285-T288 PolarHBondContact O-N 3.07Å; N285-T288 PolarHBondContact OD1-N 3.05Å; N285-Q289 VanDerWaalsContact O-CA 3.26Å; N285-Q289 WeakPolarHBondContact O-CA 3.05Å; N285-Q289 PolarHBondContact O-N 3.06Å; N285-S290 PolarHBondContact N-O 2.96Å; N285-S290 PolarHBondContact O-N 2.91Å
286	L	79	Confident	87.4	Confident	147 Å²	147	69 Å²	69	77%	0.77	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.9	179.5	-79.5	134.9	0	0	0	113.8	Y284	Y284-L286 HydrophobicContact CD1-CG 4.26Å; Y284-L286 HydrophobicContact CE1-CD2 4.43Å; Y284-L286 HydrophobicContact CE1-CG 4.16Å
287	H	74.7	Confident	87.3	Confident	173 Å²	173	71.7 Å²	71.7	80%	0.801	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-43.1	-177.7	-174.5	60.4	0	0	0	112.3	N285 Q289	N285-H287 PolarHBondContact O-N 3.33Å; N285-H287 WeakPolarHBondContact OD1-CB 3.24Å; N285-H287 PolarHBondContact OD1-N 3.32Å; H287-Q289 VanDerWaalsContact C-N 3.34Å
288	T	76.6	Confident	86.8	Confident	77 Å²	77	70.2 Å²	70.2	47%	0.472	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.4	177.1	58	0	0	0	0	112.6	N285 S290	N285-T288 VanDerWaalsContact CB-OG1 3.28Å; N285-T288 WeakPolarHBondContact CB-OG1 3.28Å; N285-T288 VanDerWaalsContact CG-OG1 3.26Å; N285-T288 PolarHBondContact ND2-OG1 3.24Å; N285-T288 PolarHBondContact O-N 3.07Å; N285-T288 PolarHBondContact OD1-N 3.05Å; T288-S290 WeakPolarHBondContact CB-OG 3.49Å; T288-S290 PolarHBondContact O-N 3.23Å; T288-S290 VanDerWaalsContact O-N 3.13Å; T288-S290 PolarHBondContact OG1-OG 3.41Å
289	Q	82.8	Confident	86.2	Confident	152 Å²	152	77.8 Å²	77.8	71%	0.71	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	28.5	-174.3	-61.4	-177.3	-11.4	0	0	113.6	N285 H287	N285-Q289 VanDerWaalsContact O-CA 3.26Å; N285-Q289 WeakPolarHBondContact O-CA 3.05Å; N285-Q289 PolarHBondContact O-N 3.06Å; H287-Q289 VanDerWaalsContact C-N 3.34Å
290	S	82.9	Confident	85.2	Confident	49 Å²	49	75.4 Å²	75.4	34%	0.343	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.4	-174.6	62.3	0	0	0	0	112.1	N285 T288	N285-S290 PolarHBondContact N-O 2.96Å; N285-S290 PolarHBondContact O-N 2.91Å; T288-S290 WeakPolarHBondContact CB-OG 3.49Å; T288-S290 PolarHBondContact O-N 3.23Å; T288-S290 VanDerWaalsContact O-N 3.13Å; T288-S290 PolarHBondContact OG1-OG 3.41Å
291	L	86.3	Confident	84	Confident	56 Å²	56	71.1 Å²	71.1	29%	0.293	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143.5	168.4	-66.3	166.9	0	0	0	109.9	V282 Y284 F294 N301	V282-L291 HydrophobicContact CG1-CB 4.36Å; V282-L291 HydrophobicContact CG1-CD2 3.99Å; Y284-L291 HydrophobicContact CD2-CD2 3.78Å; Y284-L291 HydrophobicContact CD2-CG 4.15Å; Y284-L291 HydrophobicContact CG-CD2 4.33Å; L291-F294 HydrophobicContact CB-CD2 4.33Å; L291-F294 HydrophobicContact CB-CE2 3.59Å; L291-F294 HydrophobicContact CD1-CE2 4.16Å; L291-F294 HydrophobicContact CD1-CZ 4.45Å; L291-F294 HydrophobicContact CG-CE2 4.47Å; L291-N301 PolarHBondContact O-ND2 3.05Å
292	S	85.5	Confident	82.9	Confident	18 Å²	18	71.3 Å²	71.3	13%	0.126	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.9	-179.4	55.1	0	0	0	0	109.8	V282 Q283 C616	V282-S292 CarbonylContact C-O 3.55Å; V282-S292 VanDerWaalsContact CA-O 3.28Å; V282-S292 WeakPolarHBondContact CA-O 3.31Å; Q283-S292 PolarHBondContact N-O 3.37Å; Q283-S292 PolarHBondContact O-N 3.07Å; Q283-S292 PolarHBondContact O-OG 3.5Å; S292-C616 PolarHBondContact OG-SG 3.35Å
293	G	87.9	Confident	82.2	Confident	3 Å²	3	74.5 Å²	74.5	3%	0.031	40%	0.398	C	S	.	.	S	Bend	trans	113	3.1	-173	0	0	0	0	0	115.1	V306 A307	G293-V306 WeakPolarHBondContact O-CG1 3.11Å; G293-A307 PolarHBondContact O-N 3.25Å
294	F	91.5	Very high	81.8	Confident	19 Å²	19	75.7 Å²	75.7	8%	0.083	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	169.3	177.1	-62.1	-71	0	0	0	112.6	V282 L291 D296 N301 N302 E303 E305 V306	V282-F294 HydrophobicContact CG1-CE2 3.92Å; V282-F294 HydrophobicContact CG1-CZ 3.8Å; V282-F294 HydrophobicContact CG2-CD1 4.43Å; V282-F294 HydrophobicContact CG2-CE1 3.9Å; V282-F294 HydrophobicContact CG2-CZ 3.97Å; L291-F294 HydrophobicContact CB-CD2 4.33Å; L291-F294 HydrophobicContact CB-CE2 3.59Å; L291-F294 HydrophobicContact CD1-CE2 4.16Å; L291-F294 HydrophobicContact CD1-CZ 4.45Å; L291-F294 HydrophobicContact CG-CE2 4.47Å; F294-D296 PolarHBondContact O-N 3.26Å; F294-N301 HydrophobicContact CB-CB 4.5Å; F294-N302 VanDerWaalsContact CB-O 3.31Å; F294-N302 WeakPolarHBondContact CB-O 3.47Å; F294-E303 HydrophobicContact CD2-CB 4.26Å; F294-E303 HydrophobicContact CD2-CG 4.09Å; F294-E303 HydrophobicContact CE2-CB 4.06Å; F294-E303 HydrophobicContact CE2-CG 4.04Å; F294-E303 HydrophobicContact CZ-CB 4.33Å; F294-E305 CarbonylContact C-O 3.56Å; F294-E305 VanDerWaalsContact CA-O 3.28Å; F294-E305 WeakPolarHBondContact CA-O 3.41Å; F294-E305 WeakPolarHBondContact CD1-O 3.15Å; F294-V306 HydrophobicContact CD1-CG2 4.27Å; F294-V306 HydrophobicContact CE1-CG2 4.18Å
295	V	91.2	Very high	81.8	Confident	16 Å²	16	74.3 Å²	74.3	10%	0.097	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.4	170.3	172.1	0	0	0	0	109.3	L297 N302 E305 L326 A328	V295-L297 HydrophobicContact CG1-CD2 4.47Å; V295-L297 HydrophobicContact CG1-CG 4.39Å; V295-N302 PolarHBondContact O-N 2.66Å; V295-E305 HydrophobicContact CG2-CB 4.03Å; V295-E305 HydrophobicContact CG2-CG 4.23Å; V295-E305 PolarHBondContact N-O 2.87Å; V295-L326 WeakPolarHBondContact CA-O 3.48Å; V295-L326 WeakPolarHBondContact CG1-O 3.29Å; V295-A328 HydrophobicContact CG2-CB 3.77Å
296	D	91.5	Very high	82.4	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.064	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	114.4	178.5	-173.5	-11.3	0	0	0	108.7	P245 F294 G298 G300 N301 L326	P245-D296 HydrophobicContact CB-CB 3.99Å; P245-D296 WeakPolarHBondContact CD-OD2 3.34Å; P245-D296 HydrophobicContact CG-CB 3.82Å; P245-D296 VanDerWaalsContact CG-OD2 3.24Å; P245-D296 WeakPolarHBondContact CG-OD2 3.41Å; F294-D296 PolarHBondContact O-N 3.26Å; D296-G298 PolarHBondContact OD1-N 3.05Å; D296-G300 PolarHBondContact OD1-N 3.17Å; D296-N301 WeakPolarHBondContact CB-OD1 3.29Å; D296-N301 PolarHBondContact OD2-OD1 2.92Å; D296-N301 VanDerWaalsContact OD2-OD1 3.12Å; D296-L326 HydrophobicContact CB-CB 4.34Å; D296-L326 HydrophobicContact CB-CD1 4.42Å; D296-L326 PolarHBondContact N-O 3.5Å; D296-L326 PolarHBondContact O-N 3.37Å
297	L	89.1	Confident	83.1	Confident	55 Å²	55	66.3 Å²	66.3	29%	0.288	37%	0.369	S	S	.	.	S	Bend	trans	-98.9	9.5	-178.7	-58.2	-178.5	0	0	0	112.7	V295 Y325 T327 L330 T334	V295-L297 HydrophobicContact CG1-CD2 4.47Å; V295-L297 HydrophobicContact CG1-CG 4.39Å; L297-Y325 VanDerWaalsContact O-CD1 3.24Å; L297-Y325 WeakPolarHBondContact O-CD1 3.42Å; L297-Y325 VanDerWaalsContact O-CE1 3.24Å; L297-Y325 WeakPolarHBondContact O-CE1 3.46Å; L297-T327 HydrophobicContact CD2-CG2 3.83Å; L297-L330 HydrophobicContact CD2-CD1 4.24Å; L297-T334 HydrophobicContact CD1-CG2 3.68Å
298	G	83.2	Confident	84	Confident	34 Å²	34	59.1 Å²	59.1	35%	0.351	34%	0.337	S	S	.	.	S	Bend	trans	107.4	-10.3	179.5	0	0	0	0	0	114.9	P245 D296	P245-G298 WeakPolarHBondContact O-CA 3.42Å; D296-G298 PolarHBondContact OD1-N 3.05Å
299	D	80.3	Confident	84.9	Confident	168 Å²	168	59.3 Å²	59.3	90%	0.898	33%	0.333	S	S	*	.	S	Bend	trans	-98.1	4.1	176.4	-60.3	-34.2	0	0	0	112.6
300	G	73.5	Confident	85.4	Confident	42 Å²	42	52 Å²	52	43%	0.433	30%	0.299	S	S	.	.			trans	114	165.1	-178.7	0	0	0	0	0	113.5	D296 N302	D296-G300 PolarHBondContact OD1-N 3.17Å; G300-N302 PolarHBondContact O-N 3.05Å
301	N	68.5	Low	86	Confident	59 Å²	59	50.2 Å²	50.2	32%	0.316	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123	-178	-71.4	-14.3	0	0	0	111.1	L291 F294 D296 E303	L291-N301 PolarHBondContact O-ND2 3.05Å; F294-N301 HydrophobicContact CB-CB 4.5Å; D296-N301 WeakPolarHBondContact CB-OD1 3.29Å; D296-N301 PolarHBondContact OD2-OD1 2.92Å; D296-N301 VanDerWaalsContact OD2-OD1 3.12Å; N301-E303 PolarHBondContact O-N 3.41Å
302	N	68.6	Low	86.4	Confident	85 Å²	85	47.5 Å²	47.5	46%	0.455	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	96.9	166.7	-171.6	-3.2	0	0	0	108.7	F294 V295 G300 T304 E305	F294-N302 VanDerWaalsContact CB-O 3.31Å; F294-N302 WeakPolarHBondContact CB-O 3.47Å; V295-N302 PolarHBondContact O-N 2.66Å; G300-N302 PolarHBondContact O-N 3.05Å; N302-T304 PolarHBondContact ND2-OG1 2.86Å; N302-T304 PolarHBondContact O-N 3.37Å; N302-T304 VanDerWaalsContact OD1-CG2 3.29Å; N302-T304 WeakPolarHBondContact OD1-CG2 3.48Å; N302-T304 PolarHBondContact OD1-OG1 2.87Å; N302-E305 PolarHBondContact O-N 3.32Å
303	E	76.3	Confident	86.9	Confident	120 Å²	120	46.7 Å²	46.7	56%	0.561	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	11.9	-176	-59.7	-168.5	160.8	0	0	115.1	F294 N301	F294-E303 HydrophobicContact CD2-CB 4.26Å; F294-E303 HydrophobicContact CD2-CG 4.09Å; F294-E303 HydrophobicContact CE2-CB 4.06Å; F294-E303 HydrophobicContact CE2-CG 4.04Å; F294-E303 HydrophobicContact CZ-CB 4.33Å; N301-E303 PolarHBondContact O-N 3.41Å
304	T	80.4	Confident	87.3	Confident	114 Å²	114	47 Å²	47	70%	0.699	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-39.3	-179.4	56.7	0	0	0	0	113.1	N302	N302-T304 PolarHBondContact ND2-OG1 2.86Å; N302-T304 PolarHBondContact O-N 3.37Å; N302-T304 VanDerWaalsContact OD1-CG2 3.29Å; N302-T304 WeakPolarHBondContact OD1-CG2 3.48Å; N302-T304 PolarHBondContact OD1-OG1 2.87Å
305	E	88.6	Confident	87.4	Confident	92 Å²	92	46.1 Å²	46.1	43%	0.43	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.8	-172	-166.2	176.2	-166.2	0	0	112.1	F294 V295 N302 A328	F294-E305 CarbonylContact C-O 3.56Å; F294-E305 VanDerWaalsContact CA-O 3.28Å; F294-E305 WeakPolarHBondContact CA-O 3.41Å; F294-E305 WeakPolarHBondContact CD1-O 3.15Å; V295-E305 HydrophobicContact CG2-CB 4.03Å; V295-E305 HydrophobicContact CG2-CG 4.23Å; V295-E305 PolarHBondContact N-O 2.87Å; N302-E305 PolarHBondContact O-N 3.32Å; E305-A328 HydrophobicContact CG-CB 3.74Å; E305-A328 WeakPolarHBondContact OE1-CB 3.35Å
306	V	92.2	Very high	87.2	Confident	47 Å²	47	45.6 Å²	45.6	29%	0.285	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.4	180	-178	0	0	0	0	109.8	K280 V282 G293 F294 T308	K280-V306 HydrophobicContact CB-CG1 4.08Å; V282-V306 HydrophobicContact CG2-CG1 4.22Å; V282-V306 HydrophobicContact CG2-CG2 3.74Å; G293-V306 WeakPolarHBondContact O-CG1 3.11Å; F294-V306 HydrophobicContact CD1-CG2 4.27Å; F294-V306 HydrophobicContact CE1-CG2 4.18Å; V306-T308 WeakPolarHBondContact O-CG2 3.36Å
307	A	93	Very high	86.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	28%	0.277	C	S	.	.			trans	-66.1	140.9	179.1	0	0	0	0	0	111.7	I278 G293 L326	I278-A307 HydrophobicContact CD1-CB 3.97Å; G293-A307 PolarHBondContact O-N 3.25Å; A307-L326 HydrophobicContact CB-CB 3.86Å
308	T	94.3	Very high	85.7	Confident	23 Å²	23	46.3 Å²	46.3	14%	0.141	27%	0.273	C	S	.	.			trans	-122.5	-20.2	-177.1	77.2	0	0	0	0	112.4	I278 K280 V306 T327 A328	I278-T308 WeakPolarHBondContact CG1-O 3.19Å; I278-T308 PolarHBondContact N-O 2.98Å; K280-T308 HydrophobicContact CD-CG2 3.76Å; K280-T308 HydrophobicContact CG-CG2 3.94Å; V306-T308 WeakPolarHBondContact O-CG2 3.36Å; T308-T327 PolarHBondContact N-O 2.68Å; T308-A328 HydrophobicContact CG2-CB 4.03Å; T308-A328 PolarHBondContact OG1-O 3.48Å
309	E	94.5	Very high	85.8	Confident	80 Å²	80	49 Å²	49	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.2	-179.2	-64.1	179.7	164.4	0	0	110	A275 M276 T327	A275-E309 HydrophobicContact CB-CB 4.46Å; M276-E309 CarbonylContact O-C 3.37Å; M276-E309 VanDerWaalsContact O-CA 3.29Å; M276-E309 WeakPolarHBondContact O-CA 3.48Å; E309-T327 PolarHBondContact N-O 2.82Å; E309-T327 PolarHBondContact O-N 3.43Å; E309-T327 VanDerWaalsContact O-O 3.12Å
310	A	94.9	Very high	86.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.4	169.7	0	0	0	0	0	108.1	A275 M276 I278 Y325 L326 F618	A275-A310 WeakPolarHBondContact CA-O 3.23Å; M276-A310 PolarHBondContact N-O 3.32Å; M276-A310 PolarHBondContact O-N 2.89Å; I278-A310 HydrophobicContact CG2-CB 4.03Å; A310-Y325 CarbonylContact C-O 3.52Å; A310-Y325 VanDerWaalsContact CA-O 3.31Å; A310-Y325 WeakPolarHBondContact CA-O 3.48Å; A310-L326 HydrophobicContact CB-CD2 4.33Å; A310-F618 HydrophobicContact CB-CD1 4.45Å; A310-F618 HydrophobicContact CB-CD2 4.24Å; A310-F618 HydrophobicContact CB-CE1 4.08Å; A310-F618 HydrophobicContact CB-CE2 3.81Å; A310-F618 HydrophobicContact CB-CZ 3.73Å
311	L	95.3	Very high	87.1	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.052	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.8	174.8	175.7	63.8	0	0	0	109	A275 F313 Y324 Y325 T327 L330 Q335 L338	A275-L311 HydrophobicContact CB-CD1 4.35Å; L311-F313 HydrophobicContact CD1-CE1 4.2Å; L311-F313 HydrophobicContact CD2-CE1 3.82Å; L311-F313 HydrophobicContact CD2-CZ 4.44Å; L311-F313 HydrophobicContact CG-CD1 4.35Å; L311-F313 HydrophobicContact CG-CE1 3.8Å; L311-Y324 CarbonylContact O-C 3.55Å; L311-Y324 VanDerWaalsContact O-CA 3.22Å; L311-Y324 WeakPolarHBondContact O-CA 3.29Å; L311-Y325 HydrophobicContact CD2-CD2 4.45Å; L311-Y325 PolarHBondContact N-O 2.79Å; L311-Y325 PolarHBondContact O-N 2.5Å; L311-T327 HydrophobicContact CB-CG2 4.36Å; L311-L330 HydrophobicContact CD2-CD2 3.46Å; L311-L330 VanDerWaalsContact CD2-CD2 3.46Å; L311-Q335 HydrophobicContact CD2-CG 4.4Å; L311-L338 HydrophobicContact CD2-CD1 4.43Å
312	M	94.9	Very high	88.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.8	-170.8	-78	-93	-57.6	0	0	111.7	D274 P321 Y324 L596 L599 F600 F618 F622	D274-M312 PolarHBondContact N-O 2.84Å; D274-M312 PolarHBondContact O-N 3.07Å; M312-P321 HydrophobicContact CE-CB 4.03Å; M312-Y324 WeakPolarHBondContact SD-CB 3.26Å; M312-Y324 HydrophobicContact SD-CG 4.22Å; M312-L596 HydrophobicContact CB-CD1 4Å; M312-L596 HydrophobicContact CB-CD2 4.4Å; M312-L596 HydrophobicContact CE-CD1 4.34Å; M312-L599 HydrophobicContact CE-CD2 3.35Å; M312-L599 HydrophobicContact CE-CG 4.31Å; M312-F600 HydrophobicContact CB-CE1 3.91Å; M312-F600 HydrophobicContact CB-CZ 4.14Å; M312-F600 HydrophobicContact CG-CE1 3.87Å; M312-F600 HydrophobicContact CG-CZ 4.46Å; M312-F618 HydrophobicContact CG-CZ 4.03Å; M312-F618 HydrophobicContact SD-CE1 4.22Å; M312-F618 HydrophobicContact SD-CZ 3.62Å; M312-F622 HydrophobicContact CE-CD2 4.08Å; M312-F622 HydrophobicContact CE-CE2 3.71Å; M312-F622 HydrophobicContact SD-CD2 4.08Å; M312-F622 HydrophobicContact SD-CE2 3.8Å
313	F	95.9	Very high	89.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.5	177.2	-69.8	13.2	0	0	0	108.8	L271 I272 L273 L311 I322 A323 Y325 L338 V339 A342	L271-F313 HydrophobicContact CD1-CB 4.2Å; I272-F313 WeakPolarHBondContact O-CA 3.3Å; L273-F313 HydrophobicContact CB-CD1 4.47Å; L273-F313 HydrophobicContact CD2-CD1 3.72Å; L273-F313 HydrophobicContact CD2-CE1 3.19Å; L273-F313 HydrophobicContact CD2-CE2 4.26Å; L273-F313 HydrophobicContact CD2-CG 4.48Å; L273-F313 HydrophobicContact CD2-CZ 3.51Å; L273-F313 HydrophobicContact CG-CD1 3.81Å; L273-F313 HydrophobicContact CG-CE1 3.83Å; L273-F313 HydrophobicContact CG-CG 4.44Å; L273-F313 HydrophobicContact CG-CZ 4.43Å; L311-F313 HydrophobicContact CD1-CE1 4.2Å; L311-F313 HydrophobicContact CD2-CE1 3.82Å; L311-F313 HydrophobicContact CD2-CZ 4.44Å; L311-F313 HydrophobicContact CG-CD1 4.35Å; L311-F313 HydrophobicContact CG-CE1 3.8Å; F313-I322 HydrophobicContact CB-CD1 4.29Å; F313-I322 HydrophobicContact CB-CG1 3.87Å; F313-I322 WeakPolarHBondContact O-CG1 3.44Å; F313-I322 PolarHBondContact O-N 2.84Å; F313-A323 HydrophobicContact CB-CB 3.84Å; F313-A323 HydrophobicContact CD2-CB 4.22Å; F313-A323 HydrophobicContact CG-CB 4.19Å; F313-A323 PolarHBondContact N-O 2.87Å; F313-A323 PolarHBondContact O-N 3.23Å; F313-Y325 HydrophobicContact CD1-CE2 4.4Å; F313-Y325 HydrophobicContact CD2-CE2 4.2Å; F313-Y325 HydrophobicContact CE1-CD2 4.39Å; F313-Y325 HydrophobicContact CE1-CE2 4.16Å; F313-Y325 AromaticContact CE2-CE2 3.98Å; F313-Y325 HydrophobicContact CE2-CE2 3.98Å; F313-Y325 HydrophobicContact CG-CE2 4.4Å; F313-Y325 AromaticContact CZ-CE2 3.95Å; F313-Y325 HydrophobicContact CZ-CE2 3.95Å; F313-L338 HydrophobicContact CE2-CB 4.22Å; F313-L338 HydrophobicContact CZ-CB 3.93Å; F313-V339 HydrophobicContact CE2-CG2 4.24Å; F313-V339 HydrophobicContact CZ-CG2 3.96Å; F313-A342 HydrophobicContact CD2-CB 3.83Å; F313-A342 HydrophobicContact CE2-CB 3.97Å
314	M	94.8	Very high	90.4	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.044	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133	-178.9	-179.2	178.4	-178.4	0	0	110.5	I272 Q319 A320 H595 L596 L599	I272-M314 PolarHBondContact N-O 3.48Å; I272-M314 PolarHBondContact O-N 2.84Å; M314-Q319 VanDerWaalsContact CE-C 3.49Å; M314-Q319 HydrophobicContact CE-CB 3.73Å; M314-Q319 HydrophobicContact CE-CG 4.27Å; M314-A320 WeakPolarHBondContact CA-O 3.42Å; M314-A320 WeakPolarHBondContact CG-O 3.44Å; M314-H595 HydrophobicContact CE-CB 4.15Å; M314-H595 HydrophobicContact SD-CB 4.31Å; M314-L596 HydrophobicContact CB-CD1 3.92Å; M314-L596 HydrophobicContact SD-CB 4.36Å; M314-L596 HydrophobicContact SD-CD1 4.07Å; M314-L599 HydrophobicContact SD-CD2 4.34Å
315	V	94.3	Very high	91.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126	172.3	-61.9	0	0	0	0	110.3	L255 V269 A270 L271 Q319 A320 I322 L346	L255-V315 HydrophobicContact CD1-CG2 3.74Å; L255-V315 HydrophobicContact CD2-CG2 4.38Å; V269-V315 HydrophobicContact CB-CB 4.23Å; V269-V315 HydrophobicContact CG2-CB 4.19Å; V269-V315 HydrophobicContact CG2-CG1 4.15Å; A270-V315 CarbonylContact O-C 3.35Å; A270-V315 WeakPolarHBondContact O-CA 3.3Å; L271-V315 HydrophobicContact CD1-CG1 4.12Å; V315-Q319 WeakPolarHBondContact O-CA 3.38Å; V315-Q319 PolarHBondContact O-N 2.86Å; V315-A320 HydrophobicContact CG2-CB 3.8Å; V315-A320 PolarHBondContact N-O 2.9Å; V315-A320 PolarHBondContact O-N 2.82Å; V315-I322 HydrophobicContact CG1-CD1 3.9Å; V315-I322 HydrophobicContact CG1-CG1 4.33Å; V315-I322 HydrophobicContact CG1-CG2 4.05Å; V315-I322 HydrophobicContact CG2-CG2 3.84Å; V315-L346 HydrophobicContact CG1-CD1 3.95Å; V315-L346 HydrophobicContact CG1-CD2 4.31Å
316	V	87.3	Confident	91.4	Very high	6 Å²	6	17 Å²	17	4%	0.036	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	178	-179.9	0	0	0	0	109.6	A270 I272 R590 H595	A270-V316 PolarHBondContact N-O 2.84Å; A270-V316 VanDerWaalsContact N-O 3.13Å; A270-V316 PolarHBondContact O-N 2.97Å; I272-V316 HydrophobicContact CD1-CB 4.18Å; I272-V316 HydrophobicContact CD1-CG2 3.31Å; I272-V316 HydrophobicContact CG1-CG2 3.79Å; V316-R590 HydrophobicContact CG1-CB 4.39Å; V316-R590 VanDerWaalsContact CG1-O 3.24Å; V316-R590 WeakPolarHBondContact CG1-O 3.46Å; V316-H595 HydrophobicContact CG2-CB 3.84Å
317	G	76.5	Confident	91.4	Very high	43 Å²	43	15 Å²	15	44%	0.443	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	143.4	-64.9	-161.9	0	0	0	0	0	106.8
318	L	72.4	Confident	91.3	Very high	38 Å²	38	15.7 Å²	15.7	20%	0.199	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.6	172	-76.8	165.2	0	0	0	114.5	L255 K258 Y266 A320	L255-L318 HydrophobicContact CD2-CB 3.78Å; L255-L318 HydrophobicContact CD2-CD1 3.36Å; L255-L318 HydrophobicContact CD2-CG 4.18Å; K258-L318 HydrophobicContact CB-CD1 4.04Å; K258-L318 HydrophobicContact CD-CD1 3.92Å; K258-L318 HydrophobicContact CD-CD2 3.54Å; K258-L318 HydrophobicContact CD-CG 4.39Å; Y266-L318 HydrophobicContact CD1-CD1 3.69Å; Y266-L318 HydrophobicContact CD1-CD2 3.4Å; Y266-L318 VanDerWaalsContact CD1-CD2 3.4Å; Y266-L318 HydrophobicContact CD1-CG 3.52Å; Y266-L318 HydrophobicContact CE1-CD1 4.4Å; Y266-L318 HydrophobicContact CE1-CD2 3.26Å; Y266-L318 HydrophobicContact CE1-CG 3.93Å; Y266-L318 HydrophobicContact CG-CD1 4.04Å; Y266-L318 HydrophobicContact CG-CD2 4.35Å; Y266-L318 HydrophobicContact CG-CG 4.36Å; L318-A320 HydrophobicContact CB-CB 4.48Å
319	Q	84.6	Confident	90.8	Very high	92 Å²	92	19 Å²	19	43%	0.43	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	52.7	-177	-66.8	-175.6	-27.1	0	0	112.4	M314 V315 H595	M314-Q319 VanDerWaalsContact CE-C 3.49Å; M314-Q319 HydrophobicContact CE-CB 3.73Å; M314-Q319 HydrophobicContact CE-CG 4.27Å; V315-Q319 WeakPolarHBondContact O-CA 3.38Å; V315-Q319 PolarHBondContact O-N 2.86Å; Q319-H595 PolarHBondContact NE2-ND1 3.25Å; Q319-H595 VanDerWaalsContact NE2-ND1 3.11Å
320	A	89.7	Confident	90.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.6	-171.5	0	0	0	0	0	111	M251 L255 M314 V315 L318 I322	M251-A320 HydrophobicContact CE-CB 3.3Å; L255-A320 HydrophobicContact CD1-CB 4.29Å; L255-A320 HydrophobicContact CD2-CB 3.76Å; L255-A320 HydrophobicContact CG-CB 4.42Å; M314-A320 WeakPolarHBondContact CA-O 3.42Å; M314-A320 WeakPolarHBondContact CG-O 3.44Å; V315-A320 HydrophobicContact CG2-CB 3.8Å; V315-A320 PolarHBondContact N-O 2.9Å; V315-A320 PolarHBondContact O-N 2.82Å; L318-A320 HydrophobicContact CB-CB 4.48Å; A320-I322 PolarHBondContact O-N 3.12Å
321	P	93	Very high	90.3	Very high	1 Å²	1	19 Å²	19	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.9	168.1	29.2	-30.2	0	0	0	109.1	M312 L599 F622 M626	M312-P321 HydrophobicContact CE-CB 4.03Å; P321-L599 HydrophobicContact CB-CD2 3.81Å; P321-L599 HydrophobicContact CG-CD2 4.13Å; P321-F622 HydrophobicContact CB-CE2 3.82Å; P321-F622 HydrophobicContact CB-CZ 4.16Å; P321-F622 HydrophobicContact CG-CE2 4.14Å; P321-F622 HydrophobicContact CG-CZ 4.39Å; P321-M626 HydrophobicContact CG-SD 3.92Å
322	I	93.6	Very high	90.2	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-25	-174.7	57.3	161.6	0	0	0	112.7	L247 N248 L252 L255 L271 F313 V315 A320 L346	L247-I322 HydrophobicContact CD2-CD1 4.3Å; N248-I322 PolarHBondContact N-O 3.31Å; L252-I322 HydrophobicContact CD2-CB 4.2Å; L252-I322 HydrophobicContact CD2-CG2 4.13Å; L255-I322 HydrophobicContact CD1-CG2 3.59Å; L271-I322 HydrophobicContact CD1-CD1 3.92Å; F313-I322 HydrophobicContact CB-CD1 4.29Å; F313-I322 HydrophobicContact CB-CG1 3.87Å; F313-I322 WeakPolarHBondContact O-CG1 3.44Å; F313-I322 PolarHBondContact O-N 2.84Å; V315-I322 HydrophobicContact CG1-CD1 3.9Å; V315-I322 HydrophobicContact CG1-CG1 4.33Å; V315-I322 HydrophobicContact CG1-CG2 4.05Å; V315-I322 HydrophobicContact CG2-CG2 3.84Å; A320-I322 PolarHBondContact O-N 3.12Å; I322-L346 HydrophobicContact CD1-CD1 3.98Å; I322-L346 HydrophobicContact CD1-CD2 4.47Å; I322-L346 HydrophobicContact CD1-CG 4.41Å
323	A	94	Very high	90.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	152.7	-176.8	0	0	0	0	0	111	G246 L247 F313 Y325	G246-A323 VanDerWaalsContact O-CA 3.27Å; G246-A323 WeakPolarHBondContact O-CA 3.4Å; G246-A323 WeakPolarHBondContact O-CB 3.48Å; L247-A323 HydrophobicContact CD2-CB 3.6Å; L247-A323 HydrophobicContact CG-CB 4.23Å; F313-A323 HydrophobicContact CB-CB 3.84Å; F313-A323 HydrophobicContact CD2-CB 4.22Å; F313-A323 HydrophobicContact CG-CB 4.19Å; F313-A323 PolarHBondContact N-O 2.87Å; F313-A323 PolarHBondContact O-N 3.23Å; A323-Y325 HydrophobicContact CB-CE2 3.78Å
324	Y	95.4	Very high	90	Very high	1 Å²	1	26 Å²	26	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.6	162.5	82.2	-89.7	0	0	0	110.8	D243 R244 P245 G246 L311 M312 L326 F618 Q619 F622	D243-Y324 PolarHBondContact O-OH 3.33Å; R244-Y324 VanDerWaalsContact C-OH 3.22Å; R244-Y324 VanDerWaalsContact O-CE1 3.3Å; R244-Y324 WeakPolarHBondContact O-CE1 3.48Å; P245-Y324 CarbonylContact C-O 3.59Å; P245-Y324 WeakPolarHBondContact CA-O 3.45Å; P245-Y324 HydrophobicContact CB-CD2 4.47Å; P245-Y324 HydrophobicContact CB-CE2 3.93Å; P245-Y324 VanDerWaalsContact CD-OH 3.26Å; P245-Y324 WeakPolarHBondContact CD-OH 3.24Å; P245-Y324 HydrophobicContact CG-CE2 3.73Å; P245-Y324 WeakPolarHBondContact CG-OH 3.41Å; G246-Y324 PolarHBondContact N-O 2.89Å; G246-Y324 PolarHBondContact O-N 3.46Å; L311-Y324 CarbonylContact O-C 3.55Å; L311-Y324 VanDerWaalsContact O-CA 3.22Å; L311-Y324 WeakPolarHBondContact O-CA 3.29Å; M312-Y324 WeakPolarHBondContact SD-CB 3.26Å; M312-Y324 HydrophobicContact SD-CG 4.22Å; Y324-L326 HydrophobicContact CE2-CD2 4.36Å; Y324-L326 HydrophobicContact CE2-CG 4.24Å; Y324-F618 HydrophobicContact CD1-CE1 4.47Å; Y324-F618 HydrophobicContact CD2-CD1 4.13Å; Y324-F618 AromaticContact CD2-CE1 3.53Å; Y324-F618 HydrophobicContact CD2-CE1 3.53Å; Y324-F618 HydrophobicContact CE2-CD1 4.15Å; Y324-F618 AromaticContact CE2-CE1 3.97Å; Y324-F618 HydrophobicContact CE2-CE1 3.97Å; Y324-F618 AromaticContact CG-CE1 3.82Å; Y324-F618 HydrophobicContact CG-CE1 3.82Å; Y324-Q619 HydrophobicContact CE2-CG 4.27Å; Y324-Q619 VanDerWaalsContact OH-CG 3.23Å; Y324-Q619 WeakPolarHBondContact OH-CG 3.49Å; Y324-Q619 PolarHBondContact OH-NE2 2.96Å; Y324-F622 AromaticContact CD1-CD1 3.74Å; Y324-F622 HydrophobicContact CD1-CD1 3.74Å; Y324-F622 HydrophobicContact CD1-CD2 4.22Å; Y324-F622 AromaticContact CD1-CE1 3.6Å; Y324-F622 HydrophobicContact CD1-CE1 3.6Å; Y324-F622 HydrophobicContact CD1-CE2 4.09Å; Y324-F622 HydrophobicContact CD1-CG 4.05Å; Y324-F622 AromaticContact CD1-CZ 3.79Å; Y324-F622 HydrophobicContact CD1-CZ 3.79Å; Y324-F622 AromaticContact CE1-CD1 3.69Å; Y324-F622 HydrophobicContact CE1-CD1 3.69Å; Y324-F622 AromaticContact CE1-CE1 3.86Å; Y324-F622 HydrophobicContact CE1-CE1 3.86Å; Y324-F622 HydrophobicContact CE1-CG 4.21Å
325	Y	94.8	Very high	90	Very high	3 Å²	3	26 Å²	26	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.4	-178.7	-53.5	-82.5	0	0	0	109.1	L297 A310 L311 F313 A323 L338	L297-Y325 VanDerWaalsContact O-CD1 3.24Å; L297-Y325 WeakPolarHBondContact O-CD1 3.42Å; L297-Y325 VanDerWaalsContact O-CE1 3.24Å; L297-Y325 WeakPolarHBondContact O-CE1 3.46Å; A310-Y325 CarbonylContact C-O 3.52Å; A310-Y325 VanDerWaalsContact CA-O 3.31Å; A310-Y325 WeakPolarHBondContact CA-O 3.48Å; L311-Y325 HydrophobicContact CD2-CD2 4.45Å; L311-Y325 PolarHBondContact N-O 2.79Å; L311-Y325 PolarHBondContact O-N 2.5Å; F313-Y325 HydrophobicContact CD1-CE2 4.4Å; F313-Y325 HydrophobicContact CD2-CE2 4.2Å; F313-Y325 HydrophobicContact CE1-CD2 4.39Å; F313-Y325 HydrophobicContact CE1-CE2 4.16Å; F313-Y325 AromaticContact CE2-CE2 3.98Å; F313-Y325 HydrophobicContact CE2-CE2 3.98Å; F313-Y325 HydrophobicContact CG-CE2 4.4Å; F313-Y325 AromaticContact CZ-CE2 3.95Å; F313-Y325 HydrophobicContact CZ-CE2 3.95Å; A323-Y325 HydrophobicContact CB-CE2 3.78Å; Y325-L338 HydrophobicContact CD1-CD1 4.21Å; Y325-L338 HydrophobicContact CD1-CD2 4.19Å; Y325-L338 HydrophobicContact CD2-CD1 3.98Å; Y325-L338 HydrophobicContact CE1-CD1 4.32Å; Y325-L338 HydrophobicContact CE1-CD2 3.66Å; Y325-L338 HydrophobicContact CE2-CB 4.41Å; Y325-L338 HydrophobicContact CE2-CD1 4.14Å; Y325-L338 HydrophobicContact CE2-CD2 4.49Å; Y325-L338 HydrophobicContact CG-CD1 4.02Å
326	L	94.4	Very high	90	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.9	176.4	-65.2	176.1	0	0	0	108.4	P245 I278 V295 D296 A307 A310 Y324 A615	P245-L326 HydrophobicContact CG-CD1 4.02Å; P245-L326 HydrophobicContact CG-CG 4.24Å; I278-L326 HydrophobicContact CD1-CD2 3.9Å; V295-L326 WeakPolarHBondContact CA-O 3.48Å; V295-L326 WeakPolarHBondContact CG1-O 3.29Å; D296-L326 HydrophobicContact CB-CB 4.34Å; D296-L326 HydrophobicContact CB-CD1 4.42Å; D296-L326 PolarHBondContact N-O 3.5Å; D296-L326 PolarHBondContact O-N 3.37Å; A307-L326 HydrophobicContact CB-CB 3.86Å; A310-L326 HydrophobicContact CB-CD2 4.33Å; Y324-L326 HydrophobicContact CE2-CD2 4.36Å; Y324-L326 HydrophobicContact CE2-CG 4.24Å; L326-A615 HydrophobicContact CD1-CB 3.9Å; L326-A615 HydrophobicContact CD2-CB 4.14Å
327	T	92.3	Very high	90.4	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.9	-171.8	61.1	0	0	0	0	111.2	L297 T308 E309 L311 L330	L297-T327 HydrophobicContact CD2-CG2 3.83Å; T308-T327 PolarHBondContact N-O 2.68Å; E309-T327 PolarHBondContact N-O 2.82Å; E309-T327 PolarHBondContact O-N 3.43Å; E309-T327 VanDerWaalsContact O-O 3.12Å; L311-T327 HydrophobicContact CB-CG2 4.36Å; T327-L330 HydrophobicContact CG2-CD1 4.2Å
328	A	90.3	Very high	91.3	Very high	16 Å²	16	31.4 Å²	31.4	13%	0.132	18%	0.181	C	C	.	.	S	Bend	trans	-112	-47.2	170.1	0	0	0	0	0	110.4	V295 E305 T308	V295-A328 HydrophobicContact CG2-CB 3.77Å; E305-A328 HydrophobicContact CG-CB 3.74Å; E305-A328 WeakPolarHBondContact OE1-CB 3.35Å; T308-A328 HydrophobicContact CG2-CB 4.03Å; T308-A328 PolarHBondContact OG1-O 3.48Å
329	S	84.7	Confident	92.4	Very high	93 Å²	93	29.6 Å²	29.6	65%	0.65	17%	0.172	S	C	*	.	S	Bend	trans	-142.7	147.4	162.3	63	0	0	0	0	107.7
330	L	86.4	Confident	93	Very high	31 Å²	31	26.3 Å²	26.3	16%	0.162	16%	0.159	C	C	.	.			trans	-121.8	128.1	179.3	-162.4	66.9	0	0	0	110.1	L297 L311 T327 T334 Q335 L338 T363	L297-L330 HydrophobicContact CD2-CD1 4.24Å; L311-L330 HydrophobicContact CD2-CD2 3.46Å; L311-L330 VanDerWaalsContact CD2-CD2 3.46Å; T327-L330 HydrophobicContact CG2-CD1 4.2Å; L330-T334 HydrophobicContact CD1-CG2 3.58Å; L330-Q335 HydrophobicContact CD2-CB 3.52Å; L330-Q335 HydrophobicContact CD2-CG 3.59Å; L330-Q335 HydrophobicContact CG-CB 4.05Å; L330-L338 HydrophobicContact CD2-CD1 4.31Å; L330-T363 VanDerWaalsContact O-CG2 3.31Å; L330-T363 WeakPolarHBondContact O-CG2 3.41Å
331	S	91.2	Very high	93.3	Very high	50 Å²	50	30.1 Å²	30.1	35%	0.35	18%	0.177	S	C	.	.			trans	-74	149.5	173.3	84.6	0	0	0	0	110.3	D333 T334 Q335	S331-D333 PolarHBondContact O-N 3.05Å; S331-T334 PolarHBondContact O-N 3.24Å; S331-T334 WeakPolarHBondContact OG-CB 3.33Å; S331-T334 PolarHBondContact OG-N 2.77Å; S331-T334 PolarHBondContact OG-OG1 3.47Å; S331-Q335 PolarHBondContact O-N 3.25Å
332	P	93	Very high	93.4	Very high	30 Å²	30	30.1 Å²	30.1	20%	0.195	18%	0.176	C	C	.	.	H	α-helix	trans	-55.5	-37.2	174.6	-24.4	33.4	0	0	0	112.8	Q335 K336 T363	P332-Q335 PolarHBondContact O-N 3.39Å; P332-K336 WeakPolarHBondContact O-CB 3.44Å; P332-K336 PolarHBondContact O-N 2.94Å; P332-T363 HydrophobicContact CB-CG2 4.33Å; P332-T363 HydrophobicContact CG-CG2 3.95Å
333	D	94.1	Very high	93.6	Very high	79 Å²	79	30.1 Å²	30.1	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-43.1	180	-67.1	-67.6	0	0	0	112.3	S331 K336 V337 Q370	S331-D333 PolarHBondContact O-N 3.05Å; D333-K336 WeakPolarHBondContact O-CB 2.96Å; D333-K336 PolarHBondContact O-N 3.39Å; D333-K336 IonicContact OD1-NZ 3.73Å; D333-V337 WeakPolarHBondContact O-CG2 3.34Å; D333-V337 PolarHBondContact O-N 2.91Å; D333-V337 VanDerWaalsContact O-N 3.13Å; D333-Q370 VanDerWaalsContact OD1-CD 3.32Å; D333-Q370 PolarHBondContact OD1-NE2 3.49Å; D333-Q370 PolarHBondContact OD1-OE1 3.17Å; D333-Q370 VanDerWaalsContact OD1-OE1 3.09Å; D333-Q370 PolarHBondContact OD2-NE2 2.87Å
334	T	92.6	Very high	93.7	Very high	47 Å²	47	33.9 Å²	33.9	29%	0.288	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-45	175.2	-49.2	0	0	0	0	110.5	L297 L330 S331 K336 V337 L338	L297-T334 HydrophobicContact CD1-CG2 3.68Å; L330-T334 HydrophobicContact CD1-CG2 3.58Å; S331-T334 PolarHBondContact O-N 3.24Å; S331-T334 WeakPolarHBondContact OG-CB 3.33Å; S331-T334 PolarHBondContact OG-N 2.77Å; S331-T334 PolarHBondContact OG-OG1 3.47Å; T334-K336 VanDerWaalsContact C-N 3.3Å; T334-K336 PolarHBondContact O-N 3.23Å; T334-V337 PolarHBondContact O-N 3.12Å; T334-L338 WeakPolarHBondContact O-CG 3.3Å; T334-L338 PolarHBondContact O-N 3.36Å; T334-L338 VanDerWaalsContact O-N 3.09Å
335	Q	94.5	Very high	93.7	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-38	179.1	-160.7	176.6	-25.4	0	0	112.3	L311 L330 S331 P332 V337 L338 V339 N364 M367	L311-Q335 HydrophobicContact CD2-CG 4.4Å; L330-Q335 HydrophobicContact CD2-CB 3.52Å; L330-Q335 HydrophobicContact CD2-CG 3.59Å; L330-Q335 HydrophobicContact CG-CB 4.05Å; S331-Q335 PolarHBondContact O-N 3.25Å; P332-Q335 PolarHBondContact O-N 3.39Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.06Å; Q335-L338 PolarHBondContact O-N 3.48Å; Q335-V339 WeakPolarHBondContact O-CG2 3.38Å; Q335-V339 PolarHBondContact O-N 3.2Å; Q335-N364 PolarHBondContact NE2-OD1 2.95Å; Q335-N364 PolarHBondContact OE1-OD1 2.9Å; Q335-M367 HydrophobicContact CB-CG 4.49Å; Q335-M367 HydrophobicContact CB-SD 3.93Å; Q335-M367 HydrophobicContact CG-SD 3.56Å; Q335-M367 VanDerWaalsContact CG-SD 3.56Å
336	K	95.3	Very high	93.7	Very high	60 Å²	60	36.3 Å²	36.3	26%	0.261	21%	0.206	S	C	.	.	H	α-helix	trans	-56.6	-47.5	172.9	-177.7	-175.5	76.1	-164.2	0	111.3	P332 D333 T334 L338 V339 S340 M367 Q370 L371	P332-K336 WeakPolarHBondContact O-CB 3.44Å; P332-K336 PolarHBondContact O-N 2.94Å; D333-K336 WeakPolarHBondContact O-CB 2.96Å; D333-K336 PolarHBondContact O-N 3.39Å; D333-K336 IonicContact OD1-NZ 3.73Å; T334-K336 VanDerWaalsContact C-N 3.3Å; T334-K336 PolarHBondContact O-N 3.23Å; K336-L338 PolarHBondContact O-N 2.98Å; K336-V339 PolarHBondContact O-N 3.22Å; K336-S340 WeakPolarHBondContact O-CB 3.2Å; K336-S340 PolarHBondContact O-N 3.33Å; K336-S340 PolarHBondContact O-OG 3.24Å; K336-M367 HydrophobicContact CB-CG 3.98Å; K336-Q370 HydrophobicContact CD-CB 3.94Å; K336-L371 HydrophobicContact CD-CD2 4.21Å; K336-L371 HydrophobicContact CD-CG 4.4Å; K336-L371 HydrophobicContact CG-CD2 3.62Å; K336-L371 HydrophobicContact CG-CG 3.9Å
337	V	95.1	Very high	93.8	Very high	90 Å²	90	39.4 Å²	39.4	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-45.4	178.1	173.5	0	0	0	0	111	D333 T334 Q335 V339 S340 H341	D333-V337 WeakPolarHBondContact O-CG2 3.34Å; D333-V337 PolarHBondContact O-N 2.91Å; D333-V337 VanDerWaalsContact O-N 3.13Å; T334-V337 PolarHBondContact O-N 3.12Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.06Å; V337-V339 PolarHBondContact O-N 3.41Å; V337-S340 PolarHBondContact O-N 2.66Å; V337-H341 WeakPolarHBondContact O-CB 3.28Å; V337-H341 PolarHBondContact O-N 2.81Å
338	L	95.4	Very high	93.9	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-42.8	178	-62.6	179.7	0	0	0	112.1	L311 F313 Y325 L330 T334 Q335 K336 A342	L311-L338 HydrophobicContact CD2-CD1 4.43Å; F313-L338 HydrophobicContact CE2-CB 4.22Å; F313-L338 HydrophobicContact CZ-CB 3.93Å; Y325-L338 HydrophobicContact CD1-CD1 4.21Å; Y325-L338 HydrophobicContact CD1-CD2 4.19Å; Y325-L338 HydrophobicContact CD2-CD1 3.98Å; Y325-L338 HydrophobicContact CE1-CD1 4.32Å; Y325-L338 HydrophobicContact CE1-CD2 3.66Å; Y325-L338 HydrophobicContact CE2-CB 4.41Å; Y325-L338 HydrophobicContact CE2-CD1 4.14Å; Y325-L338 HydrophobicContact CE2-CD2 4.49Å; Y325-L338 HydrophobicContact CG-CD1 4.02Å; L330-L338 HydrophobicContact CD2-CD1 4.31Å; T334-L338 WeakPolarHBondContact O-CG 3.3Å; T334-L338 PolarHBondContact O-N 3.36Å; T334-L338 VanDerWaalsContact O-N 3.09Å; Q335-L338 PolarHBondContact O-N 3.48Å; K336-L338 PolarHBondContact O-N 2.98Å; L338-A342 WeakPolarHBondContact O-CB 3.36Å; L338-A342 PolarHBondContact O-N 2.84Å
339	V	96.5	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-48.1	177.2	172	0	0	0	0	111.2	L273 F313 Q335 K336 V337 H341 A342 L343 I356 M367 L371	L273-V339 HydrophobicContact CD2-CG2 3.51Å; F313-V339 HydrophobicContact CE2-CG2 4.24Å; F313-V339 HydrophobicContact CZ-CG2 3.96Å; Q335-V339 WeakPolarHBondContact O-CG2 3.38Å; Q335-V339 PolarHBondContact O-N 3.2Å; K336-V339 PolarHBondContact O-N 3.22Å; V337-V339 PolarHBondContact O-N 3.41Å; V339-H341 VanDerWaalsContact C-N 3.33Å; V339-H341 PolarHBondContact O-N 3.48Å; V339-A342 PolarHBondContact O-N 2.91Å; V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 HydrophobicContact CG1-CG 4.37Å; V339-L343 WeakPolarHBondContact O-CG 3.45Å; V339-L343 PolarHBondContact O-N 2.96Å; V339-I356 HydrophobicContact CG1-CD1 3.57Å; V339-M367 HydrophobicContact CB-SD 4.41Å; V339-M367 HydrophobicContact CG2-CE 4.33Å; V339-M367 HydrophobicContact CG2-SD 3.72Å; V339-L371 HydrophobicContact CG1-CD1 4.47Å
340	S	96.3	Very high	94.4	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-45.3	178.3	-66.3	0	0	0	0	111.7	K336 V337 A342 L343 E344	K336-S340 WeakPolarHBondContact O-CB 3.2Å; K336-S340 PolarHBondContact O-N 3.33Å; K336-S340 PolarHBondContact O-OG 3.24Å; V337-S340 PolarHBondContact O-N 2.66Å; S340-A342 PolarHBondContact O-N 3.15Å; S340-L343 WeakPolarHBondContact O-CB 3.45Å; S340-L343 PolarHBondContact O-N 2.81Å; S340-E344 WeakPolarHBondContact O-CG 3.33Å; S340-E344 PolarHBondContact O-N 3.08Å
341	H	95.6	Very high	94.7	Very high	81 Å²	81	39.8 Å²	39.8	38%	0.375	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-40.6	177	-178.4	-138.4	0	0	0	112.2	L247 V337 V339 L343 E344 E345	L247-H341 WeakPolarHBondContact CD1-ND1 3.44Å; V337-H341 WeakPolarHBondContact O-CB 3.28Å; V337-H341 PolarHBondContact O-N 2.81Å; V339-H341 VanDerWaalsContact C-N 3.33Å; V339-H341 PolarHBondContact O-N 3.48Å; H341-L343 VanDerWaalsContact C-N 3.34Å; H341-L343 PolarHBondContact O-N 3.29Å; H341-E344 PolarHBondContact O-N 3.15Å; H341-E345 WeakPolarHBondContact O-CB 3.41Å; H341-E345 WeakPolarHBondContact O-CG 3.48Å; H341-E345 PolarHBondContact O-N 3.33Å
342	A	96.4	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-37.4	174.7	0	0	0	0	0	112.7	L247 F313 L338 V339 S340 L346	L247-A342 HydrophobicContact CD2-CB 4.1Å; F313-A342 HydrophobicContact CD2-CB 3.83Å; F313-A342 HydrophobicContact CE2-CB 3.97Å; L338-A342 WeakPolarHBondContact O-CB 3.36Å; L338-A342 PolarHBondContact O-N 2.84Å; V339-A342 PolarHBondContact O-N 2.91Å; S340-A342 PolarHBondContact O-N 3.15Å; A342-L346 WeakPolarHBondContact O-CB 3.44Å; A342-L346 WeakPolarHBondContact O-CD1 3.3Å; A342-L346 VanDerWaalsContact O-CG 3.23Å; A342-L346 WeakPolarHBondContact O-CG 3.43Å; A342-L346 PolarHBondContact O-N 3.15Å; A342-L346 VanDerWaalsContact O-N 3.12Å
343	L	96.9	Very high	94.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-44.4	175	-68.3	175.9	0	0	0	111.5	L271 V339 S340 H341 L346 H347 V353 I356 F387 H389 P390	L271-L343 HydrophobicContact CD2-CD2 4.34Å; V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 HydrophobicContact CG1-CG 4.37Å; V339-L343 WeakPolarHBondContact O-CG 3.45Å; V339-L343 PolarHBondContact O-N 2.96Å; S340-L343 WeakPolarHBondContact O-CB 3.45Å; S340-L343 PolarHBondContact O-N 2.81Å; H341-L343 VanDerWaalsContact C-N 3.34Å; H341-L343 PolarHBondContact O-N 3.29Å; L343-L346 PolarHBondContact O-N 3.44Å; L343-H347 VanDerWaalsContact O-CB 3.3Å; L343-H347 WeakPolarHBondContact O-CB 3.27Å; L343-H347 PolarHBondContact O-N 3.46Å; L343-V353 HydrophobicContact CD2-CB 3.63Å; L343-V353 HydrophobicContact CD2-CG1 3.78Å; L343-V353 HydrophobicContact CD2-CG2 3.74Å; L343-I356 HydrophobicContact CD1-CD1 4.43Å; L343-F387 HydrophobicContact CD1-CE2 3.95Å; L343-F387 HydrophobicContact CD1-CZ 4.1Å; L343-H389 PolarHBondContact O-NE2 3.11Å; L343-P390 HydrophobicContact CB-CG 4.09Å; L343-P390 HydrophobicContact CD1-CG 4.44Å
344	E	96.4	Very high	94.9	Very high	79 Å²	79	37 Å²	37	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-49	176.1	-73.2	163.9	-163.7	0	0	111.9	S340 H341 L346 H347 A348 P390 V391	S340-E344 WeakPolarHBondContact O-CG 3.33Å; S340-E344 PolarHBondContact O-N 3.08Å; H341-E344 PolarHBondContact O-N 3.15Å; E344-L346 PolarHBondContact O-N 2.96Å; E344-H347 PolarHBondContact O-N 3.11Å; E344-A348 WeakPolarHBondContact O-CB 3.45Å; E344-A348 PolarHBondContact O-N 3.45Å; E344-P390 HydrophobicContact CG-CB 4.29Å; E344-P390 HydrophobicContact CG-CG 3.93Å; E344-V391 HydrophobicContact CB-CG2 4.31Å; E344-V391 HydrophobicContact CG-CG2 3.65Å
345	E	95.8	Very high	95	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-67.7	-33.4	-178.6	-77.1	-71.6	135.2	0	0	113.6	L247 L252 H341 R349	L247-E345 HydrophobicContact CD1-CB 4.07Å; L247-E345 HydrophobicContact CD1-CG 3.78Å; L252-E345 HydrophobicContact CD1-CB 4.3Å; H341-E345 WeakPolarHBondContact O-CB 3.41Å; H341-E345 WeakPolarHBondContact O-CG 3.48Å; H341-E345 PolarHBondContact O-N 3.33Å; E345-R349 PolarHBondContact O-NH1 3.21Å; E345-R349 IonicContact OE2-CZ 3.6Å; E345-R349 IonicContact OE2-NH1 3.81Å; E345-R349 PolarHBondContact OE2-NH1 2.84Å; E345-R349 IonicContact OE2-NH2 3.08Å
346	L	95.3	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-43.6	172.9	-74.1	169.9	0	0	0	111.1	L252 L255 V315 I322 A342 L343 E344 A348 R349 G350 I351 V353	L252-L346 HydrophobicContact CD2-CD2 3.73Å; L252-L346 HydrophobicContact CD2-CG 4.39Å; L255-L346 HydrophobicContact CD1-CD2 4.49Å; V315-L346 HydrophobicContact CG1-CD1 3.95Å; V315-L346 HydrophobicContact CG1-CD2 4.31Å; I322-L346 HydrophobicContact CD1-CD1 3.98Å; I322-L346 HydrophobicContact CD1-CD2 4.47Å; I322-L346 HydrophobicContact CD1-CG 4.41Å; A342-L346 WeakPolarHBondContact O-CB 3.44Å; A342-L346 WeakPolarHBondContact O-CD1 3.3Å; A342-L346 VanDerWaalsContact O-CG 3.23Å; A342-L346 WeakPolarHBondContact O-CG 3.43Å; A342-L346 PolarHBondContact O-N 3.15Å; A342-L346 VanDerWaalsContact O-N 3.12Å; L343-L346 PolarHBondContact O-N 3.44Å; E344-L346 PolarHBondContact O-N 2.96Å; L346-A348 PolarHBondContact O-N 3.37Å; L346-R349 PolarHBondContact O-N 3.14Å; L346-R349 VanDerWaalsContact O-N 3.14Å; L346-G350 PolarHBondContact O-N 3.1Å; L346-I351 CarbonylContact C-O 3.5Å; L346-I351 VanDerWaalsContact C-O 3.32Å; L346-I351 HydrophobicContact CB-CB 4.38Å; L346-I351 HydrophobicContact CD2-CB 4.41Å; L346-I351 HydrophobicContact CD2-CD1 4.15Å; L346-I351 HydrophobicContact CD2-CG2 4.3Å; L346-I351 WeakPolarHBondContact O-CB 3.34Å; L346-I351 PolarHBondContact O-N 3.43Å; L346-V353 HydrophobicContact CB-CG2 4.29Å; L346-V353 HydrophobicContact CD1-CG2 3.47Å; L346-V353 VanDerWaalsContact CD1-CG2 3.47Å
347	H	95	Very high	95.2	Very high	66 Å²	66	31.5 Å²	31.5	31%	0.306	18%	0.175	S	C	.	.	H	α-helix	trans	-63	-41.9	178.2	177.4	62.1	0	0	0	112	L343 E344 R349 G350 I351 H389 T392	L343-H347 VanDerWaalsContact O-CB 3.3Å; L343-H347 WeakPolarHBondContact O-CB 3.27Å; L343-H347 PolarHBondContact O-N 3.46Å; E344-H347 PolarHBondContact O-N 3.11Å; H347-R349 PolarHBondContact O-N 3.29Å; H347-R349 VanDerWaalsContact O-N 3.08Å; H347-G350 PolarHBondContact O-N 3.09Å; H347-I351 PolarHBondContact N-O 3.33Å; H347-H389 AromaticContact CG-CE1 3.98Å; H347-T392 WeakPolarHBondContact CE1-CG2 3.42Å; H347-T392 WeakPolarHBondContact NE2-CG2 3.38Å
348	A	95.1	Very high	95.2	Very high	74 Å²	74	27.3 Å²	27.3	61%	0.612	15%	0.149	S	C	*	.	H	α-helix	trans	-56.5	-25.4	176.2	0	0	0	0	0	113.1	E344 L346	E344-A348 WeakPolarHBondContact O-CB 3.45Å; E344-A348 PolarHBondContact O-N 3.45Å; L346-A348 PolarHBondContact O-N 3.37Å
349	R	93.8	Very high	95	Very high	37 Å²	37	28.1 Å²	28.1	14%	0.14	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.2	177.8	-69.6	174.7	176.9	78	-2.7	113.6	L252 D253 E256 E345 L346 H347 I351	L252-R349 WeakPolarHBondContact O-CD 3.46Å; D253-R349 IonicContact OD1-CZ 2.66Å; D253-R349 IonicContact OD1-NE 3.34Å; D253-R349 PolarHBondContact OD1-NE 2.94Å; D253-R349 IonicContact OD1-NH2 3.32Å; D253-R349 PolarHBondContact OD1-NH2 3.13Å; D253-R349 VanDerWaalsContact OD1-NH2 3.13Å; E256-R349 HydrophobicContact CB-CB 3.99Å; E256-R349 HydrophobicContact CB-CG 4.13Å; E256-R349 HydrophobicContact CG-CB 4.01Å; E256-R349 HydrophobicContact CG-CG 4.2Å; E345-R349 PolarHBondContact O-NH1 3.21Å; E345-R349 IonicContact OE2-CZ 3.6Å; E345-R349 IonicContact OE2-NH1 3.81Å; E345-R349 PolarHBondContact OE2-NH1 2.84Å; E345-R349 IonicContact OE2-NH2 3.08Å; L346-R349 PolarHBondContact O-N 3.14Å; L346-R349 VanDerWaalsContact O-N 3.14Å; H347-R349 PolarHBondContact O-N 3.29Å; H347-R349 VanDerWaalsContact O-N 3.08Å; R349-I351 VanDerWaalsContact C-N 3.27Å; R349-I351 HydrophobicContact CB-CD1 4.48Å; R349-I351 PolarHBondContact O-N 2.95Å
350	G	91.9	Very high	94.5	Very high	38 Å²	38	28.7 Å²	28.7	39%	0.392	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	17.4	179.4	0	0	0	0	0	114.3	C259 H263 L346 H347	C259-G350 PolarHBondContact SG-O 2.95Å; C259-G350 VanDerWaalsContact SG-O 3.38Å; H263-G350 PolarHBondContact CE1-O 3.47Å; L346-G350 PolarHBondContact O-N 3.1Å; H347-G350 PolarHBondContact O-N 3.09Å
351	I	93.5	Very high	94.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	17%	0.174	C	C	.	.			trans	-101.2	118.8	178	-58.6	164.9	0	0	0	108.8	L255 C259 V269 L346 H347 R349	L255-I351 HydrophobicContact CB-CD1 3.52Å; L255-I351 HydrophobicContact CD1-CD1 4.46Å; C259-I351 HydrophobicContact CB-CG1 4.12Å; V269-I351 HydrophobicContact CB-CG2 4.4Å; V269-I351 HydrophobicContact CG1-CG2 3.93Å; V269-I351 HydrophobicContact CG2-CG2 3.58Å; L346-I351 CarbonylContact C-O 3.5Å; L346-I351 VanDerWaalsContact C-O 3.32Å; L346-I351 HydrophobicContact CB-CB 4.38Å; L346-I351 HydrophobicContact CD2-CB 4.41Å; L346-I351 HydrophobicContact CD2-CD1 4.15Å; L346-I351 HydrophobicContact CD2-CG2 4.3Å; L346-I351 WeakPolarHBondContact O-CB 3.34Å; L346-I351 PolarHBondContact O-N 3.43Å; H347-I351 PolarHBondContact N-O 3.33Å; R349-I351 VanDerWaalsContact C-N 3.27Å; R349-I351 HydrophobicContact CB-CD1 4.48Å; R349-I351 PolarHBondContact O-N 2.95Å
352	R	92.7	Very high	94	Very high	78 Å²	78	32 Å²	32	29%	0.294	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.5	178.9	-175.7	174.6	166.9	176.7	2.6	111.1	G267 F268 V269 E394	G267-R352 WeakPolarHBondContact O-CB 3.42Å; G267-R352 PolarHBondContact O-N 3.45Å; F268-R352 WeakPolarHBondContact CA-O 3.49Å; F268-R352 HydrophobicContact CD1-CB 4.27Å; F268-R352 HydrophobicContact CD1-CG 4.46Å; V269-R352 PolarHBondContact N-O 3.26Å; R352-E394 WeakPolarHBondContact CD-OE2 3.39Å; R352-E394 IonicContact CZ-OE1 4Å; R352-E394 VanDerWaalsContact CZ-OE1 3.26Å; R352-E394 IonicContact CZ-OE2 3.54Å; R352-E394 IonicContact NE-OE1 3.59Å; R352-E394 IonicContact NE-OE2 3.51Å; R352-E394 PolarHBondContact NE-OE2 2.87Å; R352-E394 IonicContact NH1-OE1 3.03Å; R352-E394 PolarHBondContact NH1-OE1 3.2Å; R352-E394 IonicContact NH1-OE2 3.94Å; R352-E394 IonicContact NH2-OE1 3.5Å; R352-E394 PolarHBondContact NH2-OE1 3.34Å; R352-E394 IonicContact NH2-OE2 3.26Å
353	V	95.1	Very high	93.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.6	173.1	-177	0	0	0	0	109.6	V269 L271 L343 L346	V269-V353 HydrophobicContact CG2-CG2 4.01Å; V269-V353 WeakPolarHBondContact O-CA 3.3Å; L271-V353 HydrophobicContact CB-CG1 3.71Å; L343-V353 HydrophobicContact CD2-CB 3.63Å; L343-V353 HydrophobicContact CD2-CG1 3.78Å; L343-V353 HydrophobicContact CD2-CG2 3.74Å; L346-V353 HydrophobicContact CB-CG2 4.29Å; L346-V353 HydrophobicContact CD1-CG2 3.47Å; L346-V353 VanDerWaalsContact CD1-CG2 3.47Å
354	L	94.2	Very high	93.7	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-43.6	179.9	-69.9	169	0	0	0	112.2	F268 V269 F397 L579	F268-L354 HydrophobicContact CB-CD1 3.81Å; F268-L354 HydrophobicContact CB-CG 4.32Å; F268-L354 HydrophobicContact CD1-CD1 4.18Å; F268-L354 HydrophobicContact CD1-CD2 3.94Å; F268-L354 HydrophobicContact CD1-CG 4.11Å; F268-L354 HydrophobicContact CG-CD1 4.4Å; V269-L354 PolarHBondContact O-N 2.8Å; L354-F397 WeakPolarHBondContact O-CD2 3.48Å; L354-F397 PolarHBondContact O-N 3.21Å; L354-L579 HydrophobicContact CD1-CD2 3.69Å; L354-L579 HydrophobicContact CD2-CD2 4.37Å
355	C	95.3	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.3	-170.3	178.7	0	0	0	0	111.1	A270 L271 F397 M575 F591	A270-C355 CarbonylContact C-O 3.44Å; A270-C355 WeakPolarHBondContact CA-O 3.29Å; L271-C355 PolarHBondContact N-O 2.88Å; C355-F397 CarbonylContact C-O 3.58Å; C355-F397 VanDerWaalsContact CA-O 3.23Å; C355-F397 WeakPolarHBondContact CA-O 3.49Å; C355-F397 HydrophobicContact CB-CB 4.21Å; C355-M575 HydrophobicContact CB-SD 4.05Å; C355-F591 HydrophobicContact CB-CD1 4.1Å; C355-F591 HydrophobicContact CB-CE1 4.27Å
356	I	96.7	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.6	168	-56.3	-169.6	0	0	0	109.4	L271 L273 V339 L343 M358 F387 V396 F397 V398 M399	L271-I356 HydrophobicContact CB-CG1 4.39Å; L271-I356 HydrophobicContact CD2-CD1 4.32Å; L271-I356 HydrophobicContact CD2-CG1 4.44Å; L271-I356 CarbonylContact O-C 3.54Å; L271-I356 VanDerWaalsContact O-CA 3.25Å; L271-I356 WeakPolarHBondContact O-CA 3.45Å; L273-I356 HydrophobicContact CD1-CG2 3.17Å; V339-I356 HydrophobicContact CG1-CD1 3.57Å; L343-I356 HydrophobicContact CD1-CD1 4.43Å; I356-M358 HydrophobicContact CB-CE 4.22Å; I356-M358 HydrophobicContact CG2-CE 3.5Å; I356-M358 VanDerWaalsContact CG2-CE 3.5Å; I356-F387 HydrophobicContact CD1-CE1 4.02Å; I356-F387 HydrophobicContact CD1-CZ 3.62Å; I356-F387 HydrophobicContact CG1-CZ 4.48Å; I356-V396 HydrophobicContact CD1-CG1 4.14Å; I356-V396 HydrophobicContact CG1-CG1 3.78Å; I356-F397 PolarHBondContact N-O 3.29Å; I356-V398 WeakPolarHBondContact O-CA 3.4Å; I356-M399 PolarHBondContact O-N 2.92Å
357	T	96.3	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128	173.4	-50.1	0	0	0	0	110.9	L271 L273 M399 F591 Q593	L271-T357 PolarHBondContact O-N 3.05Å; L273-T357 PolarHBondContact N-O 2.86Å; T357-M399 WeakPolarHBondContact CA-O 3.18Å; T357-F591 WeakPolarHBondContact CG2-O 3.37Å; T357-F591 PolarHBondContact OG1-O 3.4Å; T357-F591 VanDerWaalsContact OG1-O 3.06Å; T357-Q593 HydrophobicContact CG2-CG 3.91Å
358	M	94.3	Very high	93.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	169.4	-179.6	63.5	-168.3	75.4	0	0	112.6	I356 N364 M367 C368 V398 M399 M400 D401 Q593	I356-M358 HydrophobicContact CB-CE 4.22Å; I356-M358 HydrophobicContact CG2-CE 3.5Å; I356-M358 VanDerWaalsContact CG2-CE 3.5Å; M358-N364 HydrophobicContact CB-CB 4.4Å; M358-N364 HydrophobicContact CG-CB 4.17Å; M358-N364 HydrophobicContact SD-CB 3.63Å; M358-M367 HydrophobicContact CE-CE 3.72Å; M358-M367 HydrophobicContact SD-CE 4.02Å; M358-C368 WeakPolarHBondContact CE-SG 3.5Å; M358-C368 PolarHBondContact SD-SG 3.07Å; M358-V398 HydrophobicContact CE-CG1 4.03Å; M358-M399 PolarHBondContact N-O 2.94Å; M358-M400 HydrophobicContact CG-SD 4.3Å; M358-M400 CarbonylContact O-C 3.49Å; M358-M400 WeakPolarHBondContact O-CA 3.27Å; M358-D401 PolarHBondContact O-N 2.89Å; M358-Q593 VanDerWaalsContact CA-NE2 3.27Å
359	D	91.2	Very high	93.5	Very high	33 Å²	33	25.3 Å²	25.3	18%	0.176	15%	0.149	C	C	.	.			trans	-82.9	-174.7	178.4	90.4	-29.4	0	0	0	110.4	H361 N364 M400	D359-H361 VanDerWaalsContact C-N 3.26Å; D359-H361 PolarHBondContact O-N 2.91Å; D359-H361 WeakPolarHBondContact OD1-CB 3.43Å; D359-H361 PolarHBondContact OD1-N 3.32Å; D359-N364 PolarHBondContact OD1-ND2 3.45Å; D359-M400 WeakPolarHBondContact O-CE 3.4Å
360	G	87.6	Confident	93.5	Very high	11 Å²	11	27 Å²	27	11%	0.113	16%	0.159	C	C	.	.	S	Bend	trans	-82.3	12.6	-178.7	0	0	0	0	0	115.9	H404 L560	G360-H404 PolarHBondContact N-CE1 3.11Å; G360-H404 PolarHBondContact N-ND1 3.05Å; G360-H404 VanDerWaalsContact N-ND1 3.15Å; G360-L560 WeakPolarHBondContact O-CD2 3.22Å
361	H	90.3	Very high	93.6	Very high	103 Å²	103	26.5 Å²	26.5	48%	0.477	15%	0.147	S	C	.	.			trans	-67.6	145.7	-171.7	-162.3	-98.6	0	0	0	112.4	D359 T363 N364 I365	D359-H361 VanDerWaalsContact C-N 3.26Å; D359-H361 PolarHBondContact O-N 2.91Å; D359-H361 WeakPolarHBondContact OD1-CB 3.43Å; D359-H361 PolarHBondContact OD1-N 3.32Å; H361-T363 VanDerWaalsContact C-N 3.28Å; H361-T363 PolarHBondContact CE1-OG1 2.91Å; H361-T363 VanDerWaalsContact CE1-OG1 3.25Å; H361-T363 WeakPolarHBondContact ND1-CB 3.31Å; H361-T363 PolarHBondContact ND1-N 3.36Å; H361-T363 PolarHBondContact ND1-OG1 3.33Å; H361-T363 VanDerWaalsContact ND1-OG1 3.09Å; H361-T363 PolarHBondContact O-N 2.88Å; H361-N364 HydrophobicContact CB-CB 4.42Å; H361-N364 WeakPolarHBondContact O-CB 3.33Å; H361-N364 PolarHBondContact O-N 2.81Å; H361-N364 VanDerWaalsContact O-N 3.14Å; H361-I365 PolarHBondContact O-N 3.23Å; H361-I365 VanDerWaalsContact O-N 3.15Å
362	A	90.5	Very high	93.6	Very high	71 Å²	71	27.6 Å²	27.6	59%	0.587	16%	0.158	S	C	*	.	H	α-helix	trans	-62	-36.8	-177.2	0	0	0	0	0	112.5	N364 I365 S366	A362-N364 VanDerWaalsContact C-N 3.33Å; A362-N364 PolarHBondContact O-N 2.86Å; A362-I365 PolarHBondContact O-N 2.87Å; A362-S366 WeakPolarHBondContact O-CB 3.5Å; A362-S366 PolarHBondContact O-N 3.38Å
363	T	92.2	Very high	93.7	Very high	25 Å²	25	24 Å²	24	15%	0.153	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-45.4	174.7	-50	0	0	0	0	111.4	L330 P332 H361 S366 M367	L330-T363 VanDerWaalsContact O-CG2 3.31Å; L330-T363 WeakPolarHBondContact O-CG2 3.41Å; P332-T363 HydrophobicContact CB-CG2 4.33Å; P332-T363 HydrophobicContact CG-CG2 3.95Å; H361-T363 VanDerWaalsContact C-N 3.28Å; H361-T363 PolarHBondContact CE1-OG1 2.91Å; H361-T363 VanDerWaalsContact CE1-OG1 3.25Å; H361-T363 WeakPolarHBondContact ND1-CB 3.31Å; H361-T363 PolarHBondContact ND1-N 3.36Å; H361-T363 PolarHBondContact ND1-OG1 3.33Å; H361-T363 VanDerWaalsContact ND1-OG1 3.09Å; H361-T363 PolarHBondContact O-N 2.88Å; T363-S366 PolarHBondContact O-N 2.89Å; T363-M367 WeakPolarHBondContact O-CB 3.4Å; T363-M367 PolarHBondContact O-N 2.81Å
364	N	94	Very high	93.6	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-46.6	-179.9	-74.8	-10.4	0	0	0	111.7	Q335 M358 D359 H361 A362 S366 M367 C368	Q335-N364 PolarHBondContact NE2-OD1 2.95Å; Q335-N364 PolarHBondContact OE1-OD1 2.9Å; M358-N364 HydrophobicContact CB-CB 4.4Å; M358-N364 HydrophobicContact CG-CB 4.17Å; M358-N364 HydrophobicContact SD-CB 3.63Å; D359-N364 PolarHBondContact OD1-ND2 3.45Å; H361-N364 HydrophobicContact CB-CB 4.42Å; H361-N364 WeakPolarHBondContact O-CB 3.33Å; H361-N364 PolarHBondContact O-N 2.81Å; H361-N364 VanDerWaalsContact O-N 3.14Å; A362-N364 VanDerWaalsContact C-N 3.33Å; A362-N364 PolarHBondContact O-N 2.86Å; N364-S366 VanDerWaalsContact C-N 3.35Å; N364-S366 PolarHBondContact O-N 3.23Å; N364-M367 PolarHBondContact O-N 2.78Å; N364-C368 PolarHBondContact O-N 3.28Å
365	I	93.4	Very high	93.3	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-42.5	176.2	-61.9	169.8	0	0	0	111	H361 A362 C368 N369 L375 K376 M400 L560	H361-I365 PolarHBondContact O-N 3.23Å; H361-I365 VanDerWaalsContact O-N 3.15Å; A362-I365 PolarHBondContact O-N 2.87Å; I365-C368 PolarHBondContact O-N 3.04Å; I365-N369 PolarHBondContact O-N 3.21Å; I365-N369 VanDerWaalsContact O-N 3.14Å; I365-N369 PolarHBondContact O-ND2 3.33Å; I365-N369 VanDerWaalsContact O-ND2 3.08Å; I365-L375 HydrophobicContact CG2-CB 4.38Å; I365-L375 HydrophobicContact CG2-CD1 4.44Å; I365-K376 HydrophobicContact CG2-CG 4.39Å; I365-M400 HydrophobicContact CG1-CE 4.32Å; I365-L560 HydrophobicContact CD1-CD1 3.75Å; I365-L560 HydrophobicContact CD1-CD2 4.23Å
366	S	94.6	Very high	92.6	Very high	44 Å²	44	35.1 Å²	35.1	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-44	178.7	-168.2	0	0	0	0	111.7	A362 T363 N364 N369 Q370	A362-S366 WeakPolarHBondContact O-CB 3.5Å; A362-S366 PolarHBondContact O-N 3.38Å; T363-S366 PolarHBondContact O-N 2.89Å; N364-S366 VanDerWaalsContact C-N 3.35Å; N364-S366 PolarHBondContact O-N 3.23Å; S366-N369 PolarHBondContact O-N 2.74Å; S366-Q370 WeakPolarHBondContact O-CG 3.24Å; S366-Q370 PolarHBondContact O-N 3.05Å
367	M	95.4	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-47.9	176	176.4	-161.8	68	0	0	111.3	Q335 K336 V339 M358 T363 N364 N369 Q370 L371	Q335-M367 HydrophobicContact CB-CG 4.49Å; Q335-M367 HydrophobicContact CB-SD 3.93Å; Q335-M367 HydrophobicContact CG-SD 3.56Å; Q335-M367 VanDerWaalsContact CG-SD 3.56Å; K336-M367 HydrophobicContact CB-CG 3.98Å; V339-M367 HydrophobicContact CB-SD 4.41Å; V339-M367 HydrophobicContact CG2-CE 4.33Å; V339-M367 HydrophobicContact CG2-SD 3.72Å; M358-M367 HydrophobicContact CE-CE 3.72Å; M358-M367 HydrophobicContact SD-CE 4.02Å; T363-M367 WeakPolarHBondContact O-CB 3.4Å; T363-M367 PolarHBondContact O-N 2.81Å; N364-M367 PolarHBondContact O-N 2.78Å; M367-N369 VanDerWaalsContact C-N 3.32Å; M367-N369 PolarHBondContact O-N 3.33Å; M367-Q370 WeakPolarHBondContact O-CB 3.24Å; M367-Q370 PolarHBondContact O-N 3.2Å; M367-Q370 VanDerWaalsContact O-N 3.16Å; M367-L371 HydrophobicContact CG-CD1 4.19Å; M367-L371 WeakPolarHBondContact O-CG 3.2Å; M367-L371 PolarHBondContact O-N 2.95Å
368	C	95.3	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-40	177.1	-72.7	0	0	0	0	113.1	M358 N364 I365 Q370 L371 G372 C373 L375	M358-C368 WeakPolarHBondContact CE-SG 3.5Å; M358-C368 PolarHBondContact SD-SG 3.07Å; N364-C368 PolarHBondContact O-N 3.28Å; I365-C368 PolarHBondContact O-N 3.04Å; C368-Q370 VanDerWaalsContact C-N 3.33Å; C368-L371 PolarHBondContact O-N 3.15Å; C368-G372 PolarHBondContact O-N 3.28Å; C368-C373 HydrophobicContact CB-CB 4.24Å; C368-C373 WeakPolarHBondContact O-CB 3.49Å; C368-C373 PolarHBondContact O-N 3.1Å; C368-L375 HydrophobicContact CB-CD1 3.52Å; C368-L375 HydrophobicContact CB-CG 4.32Å
369	N	94.6	Very high	90.6	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-38.2	176.6	-65.4	-37.3	0	0	0	111.5	I365 S366 M367 L371 G372 C373 L375	I365-N369 PolarHBondContact O-N 3.21Å; I365-N369 VanDerWaalsContact O-N 3.14Å; I365-N369 PolarHBondContact O-ND2 3.33Å; I365-N369 VanDerWaalsContact O-ND2 3.08Å; S366-N369 PolarHBondContact O-N 2.74Å; M367-N369 VanDerWaalsContact C-N 3.32Å; M367-N369 PolarHBondContact O-N 3.33Å; N369-L371 VanDerWaalsContact C-N 3.29Å; N369-L371 PolarHBondContact O-N 2.93Å; N369-G372 PolarHBondContact O-N 2.99Å; N369-G372 VanDerWaalsContact O-N 3.14Å; N369-C373 WeakPolarHBondContact CA-O 3.19Å; N369-C373 PolarHBondContact OD1-O 2.99Å; N369-L375 PolarHBondContact OD1-N 3.24Å
370	Q	94.9	Very high	90.1	Very high	74 Å²	74	46 Å²	46	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-66.2	-29.1	173.8	-70.5	178.6	-11.3	0	0	113.2	D333 K336 S366 M367 C368 G372	D333-Q370 VanDerWaalsContact OD1-CD 3.32Å; D333-Q370 PolarHBondContact OD1-NE2 3.49Å; D333-Q370 PolarHBondContact OD1-OE1 3.17Å; D333-Q370 VanDerWaalsContact OD1-OE1 3.09Å; D333-Q370 PolarHBondContact OD2-NE2 2.87Å; K336-Q370 HydrophobicContact CD-CB 3.94Å; S366-Q370 WeakPolarHBondContact O-CG 3.24Å; S366-Q370 PolarHBondContact O-N 3.05Å; M367-Q370 WeakPolarHBondContact O-CB 3.24Å; M367-Q370 PolarHBondContact O-N 3.2Å; M367-Q370 VanDerWaalsContact O-N 3.16Å; C368-Q370 VanDerWaalsContact C-N 3.33Å; Q370-G372 VanDerWaalsContact C-N 3.27Å
371	L	94.3	Very high	90.1	Very high	27 Å²	27	51.8 Å²	51.8	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-74.1	-18	173.7	-74.5	166.7	0	0	0	112.7	K336 V339 M367 C368 N369 F387	K336-L371 HydrophobicContact CD-CD2 4.21Å; K336-L371 HydrophobicContact CD-CG 4.4Å; K336-L371 HydrophobicContact CG-CD2 3.62Å; K336-L371 HydrophobicContact CG-CG 3.9Å; V339-L371 HydrophobicContact CG1-CD1 4.47Å; M367-L371 HydrophobicContact CG-CD1 4.19Å; M367-L371 WeakPolarHBondContact O-CG 3.2Å; M367-L371 PolarHBondContact O-N 2.95Å; C368-L371 PolarHBondContact O-N 3.15Å; N369-L371 VanDerWaalsContact C-N 3.29Å; N369-L371 PolarHBondContact O-N 2.93Å; L371-F387 HydrophobicContact CB-CB 4.14Å; L371-F387 HydrophobicContact CB-CD1 4.22Å; L371-F387 HydrophobicContact CB-CD2 3.86Å; L371-F387 HydrophobicContact CB-CE2 4.3Å; L371-F387 HydrophobicContact CB-CG 3.81Å; L371-F387 HydrophobicContact CD1-CD2 4.45Å; L371-F387 HydrophobicContact CD1-CE1 4.15Å; L371-F387 HydrophobicContact CD1-CE2 4.07Å; L371-F387 HydrophobicContact CD1-CZ 3.9Å; L371-F387 HydrophobicContact CD2-CD2 4.34Å; L371-F387 HydrophobicContact CD2-CE2 4.22Å; L371-F387 HydrophobicContact CG-CD2 4.45Å; L371-F387 HydrophobicContact CG-CE2 4.44Å; L371-F387 WeakPolarHBondContact O-CB 3.17Å
372	G	93.5	Very high	89.9	Confident	25 Å²	25	52 Å²	52	26%	0.258	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	121	8	175.7	0	0	0	0	0	115.4	C368 N369 Q370 K384	C368-G372 PolarHBondContact O-N 3.28Å; N369-G372 PolarHBondContact O-N 2.99Å; N369-G372 VanDerWaalsContact O-N 3.14Å; Q370-G372 VanDerWaalsContact C-N 3.27Å; G372-K384 WeakPolarHBondContact O-CD 3.49Å; G372-K384 WeakPolarHBondContact O-CE 3.33Å; G372-K384 PolarHBondContact O-NZ 3.41Å
373	C	94.1	Very high	90	Very high	4 Å²	4	49 Å²	49	3%	0.027	26%	0.264	C	S	.	.			trans	-76.2	161.9	168.2	-61.5	0	0	0	0	111.8	C368 N369 L375 K384 N386	C368-C373 HydrophobicContact CB-CB 4.24Å; C368-C373 WeakPolarHBondContact O-CB 3.49Å; C368-C373 PolarHBondContact O-N 3.1Å; N369-C373 WeakPolarHBondContact CA-O 3.19Å; N369-C373 PolarHBondContact OD1-O 2.99Å; C373-L375 HydrophobicContact CB-CD2 3.97Å; C373-L375 HydrophobicContact CB-CG 3.88Å; C373-K384 WeakPolarHBondContact CA-O 3.4Å; C373-K384 WeakPolarHBondContact CB-O 3.45Å; C373-N386 VanDerWaalsContact SG-C 3.52Å; C373-N386 PolarHBondContact SG-O 3.47Å; C373-N386 VanDerWaalsContact SG-O 3.41Å
374	E	92.7	Very high	90.1	Very high	111 Å²	111	52 Å²	52	52%	0.519	28%	0.275	S	S	.	.			trans	-125.3	62.7	172.9	-63.8	172.8	-155.2	0	0	109.7	K376 G377 K384	E374-K376 PolarHBondContact O-N 3.15Å; E374-G377 PolarHBondContact O-N 3.15Å; E374-G377 VanDerWaalsContact O-N 3.1Å; E374-K384 HydrophobicContact CB-CB 3.96Å; E374-K384 HydrophobicContact CG-CB 4.31Å; E374-K384 HydrophobicContact CG-CD 4.23Å; E374-K384 PolarHBondContact N-O 3.47Å
375	L	88.9	Confident	90.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.7	-174.8	-56.9	-175.7	0	0	0	113.3	I365 C368 N369 C373 T385 V398 I567	I365-L375 HydrophobicContact CG2-CB 4.38Å; I365-L375 HydrophobicContact CG2-CD1 4.44Å; C368-L375 HydrophobicContact CB-CD1 3.52Å; C368-L375 HydrophobicContact CB-CG 4.32Å; N369-L375 PolarHBondContact OD1-N 3.24Å; C373-L375 HydrophobicContact CB-CD2 3.97Å; C373-L375 HydrophobicContact CB-CG 3.88Å; L375-T385 HydrophobicContact CD2-CG2 4.22Å; L375-V398 HydrophobicContact CD1-CG1 4.35Å; L375-I567 HydrophobicContact CB-CD1 3.98Å; L375-I567 HydrophobicContact CD1-CD1 4.45Å; L375-I567 HydrophobicContact CD2-CD1 4.08Å; L375-I567 HydrophobicContact CD2-CG1 4.19Å; L375-I567 HydrophobicContact CD2-CG2 4.19Å; L375-I567 HydrophobicContact CG-CD1 4.39Å
376	K	81	Confident	90.3	Very high	141 Å²	141	52.5 Å²	52.5	61%	0.613	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	13.3	174.6	-64.8	-175.8	179.7	176.4	0	112.8	I365 E374	I365-K376 HydrophobicContact CG2-CG 4.39Å; E374-K376 PolarHBondContact O-N 3.15Å
377	G	79.8	Confident	90.4	Very high	28 Å²	28	50.4 Å²	50.4	29%	0.289	26%	0.263	S	S	.	.	S	Bend	trans	-63.4	179.8	177.5	0	0	0	0	0	113	E374 P379	E374-G377 PolarHBondContact O-N 3.15Å; E374-G377 VanDerWaalsContact O-N 3.1Å; G377-P379 VanDerWaalsContact O-CD 3.23Å; G377-P379 WeakPolarHBondContact O-CD 3.38Å; G377-P379 VanDerWaalsContact O-N 3.16Å
378	N	83.8	Confident	90.4	Very high	78 Å²	78	54 Å²	54	42%	0.417	29%	0.286	S	S	.	.			trans	-64.7	114.1	175.5	-179.6	14.4	0	0	0	109.7	Q380 E381	N378-Q380 PolarHBondContact O-N 3.36Å; N378-Q380 VanDerWaalsContact O-N 3.14Å; N378-Q380 PolarHBondContact OD1-N 3.5Å; N378-E381 PolarHBondContact O-N 3.42Å
379	P	81.6	Confident	90.5	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.058	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.9	-173.5	31	-35.6	0	0	0	113.4	G377 E381 R539 L543 H554 I563	G377-P379 VanDerWaalsContact O-CD 3.23Å; G377-P379 WeakPolarHBondContact O-CD 3.38Å; G377-P379 VanDerWaalsContact O-N 3.16Å; P379-E381 CarbonylContact C-O 3.55Å; P379-E381 PolarHBondContact O-N 2.93Å; P379-R539 PolarHBondContact O-NH1 3.42Å; P379-R539 VanDerWaalsContact O-NH1 3.16Å; P379-R539 PolarHBondContact O-NH2 3.06Å; P379-L543 HydrophobicContact CB-CD2 3.73Å; P379-L543 HydrophobicContact CG-CD2 4.15Å; P379-L543 WeakPolarHBondContact O-CD1 3.47Å; P379-H554 VanDerWaalsContact CG-CD2 3.44Å; P379-H554 WeakPolarHBondContact CG-CD2 3.31Å; P379-I563 HydrophobicContact CB-CD1 3.8Å; P379-I563 HydrophobicContact CG-CD1 4.25Å
380	Q	80.6	Confident	90.5	Very high	148 Å²	148	55.2 Å²	55.2	69%	0.692	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.3	172.5	-65.2	-162.9	-7.4	0	0	112	N378	N378-Q380 PolarHBondContact O-N 3.36Å; N378-Q380 VanDerWaalsContact O-N 3.14Å; N378-Q380 PolarHBondContact OD1-N 3.5Å
381	E	86.3	Confident	90.4	Very high	132 Å²	132	55.6 Å²	55.6	62%	0.617	30%	0.303	S	S	*	.	S	Bend	trans	-94.5	155.3	172	-68.5	173.9	-161.8	0	0	110.3	N378 P379 L383 R539	N378-E381 PolarHBondContact O-N 3.42Å; P379-E381 CarbonylContact C-O 3.55Å; P379-E381 PolarHBondContact O-N 2.93Å; E381-L383 PolarHBondContact O-N 3Å; E381-R539 PolarHBondContact O-NH2 3.37Å
382	P	87	Confident	90.4	Very high	108 Å²	108	56.9 Å²	56.9	70%	0.701	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-54.3	123.1	172.3	-24.4	34.7	0	0	0	110.7
383	L	92.2	Very high	90.3	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-68.1	144.6	-179.3	-64.7	177.8	0	0	0	110.2	E381 T385 V566 I567 D570	E381-L383 PolarHBondContact O-N 3Å; L383-T385 HydrophobicContact CB-CG2 3.97Å; L383-T385 PolarHBondContact O-N 2.72Å; L383-V566 HydrophobicContact CD1-CG1 4Å; L383-V566 HydrophobicContact CG-CG1 4.49Å; L383-I567 HydrophobicContact CD1-CG1 3.83Å; L383-D570 PolarHBondContact N-OD2 3.25Å
384	K	93.6	Very high	90.3	Very high	89 Å²	89	61.3 Å²	61.3	39%	0.387	34%	0.338	S	S	.	.			trans	-77	91.5	171.8	-169.9	-174.2	-179.9	-165.5	0	109.6	G372 C373 E374	G372-K384 WeakPolarHBondContact O-CD 3.49Å; G372-K384 WeakPolarHBondContact O-CE 3.33Å; G372-K384 PolarHBondContact O-NZ 3.41Å; C373-K384 WeakPolarHBondContact CA-O 3.4Å; C373-K384 WeakPolarHBondContact CB-O 3.45Å; E374-K384 HydrophobicContact CB-CB 3.96Å; E374-K384 HydrophobicContact CG-CB 4.31Å; E374-K384 HydrophobicContact CG-CD 4.23Å; E374-K384 PolarHBondContact N-O 3.47Å
385	T	95.5	Very high	90.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.			trans	-99.1	22.4	-176.2	64.7	0	0	0	0	114.1	L375 L383 V398 I567 D570 T571	L375-T385 HydrophobicContact CD2-CG2 4.22Å; L383-T385 HydrophobicContact CB-CG2 3.97Å; L383-T385 PolarHBondContact O-N 2.72Å; T385-V398 PolarHBondContact O-N 3.13Å; T385-I567 HydrophobicContact CG2-CB 4.32Å; T385-I567 HydrophobicContact CG2-CG1 4.47Å; T385-I567 HydrophobicContact CG2-CG2 3.88Å; T385-D570 HydrophobicContact CG2-CB 4.13Å; T385-T571 WeakPolarHBondContact CB-OG1 3.46Å; T385-T571 PolarHBondContact OG1-OG1 2.92Å
386	N	96.3	Very high	90.8	Very high	27 Å²	27	61.2 Å²	61.2	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.2	175.6	61.4	83.4	0	0	0	110.7	C373 K395 V396 F397	C373-N386 VanDerWaalsContact SG-C 3.52Å; C373-N386 PolarHBondContact SG-O 3.47Å; C373-N386 VanDerWaalsContact SG-O 3.41Å; N386-K395 HydrophobicContact CB-CB 4.34Å; N386-V396 WeakPolarHBondContact CA-O 3.36Å; N386-V396 WeakPolarHBondContact CB-O 3.38Å; N386-F397 HydrophobicContact CB-CD1 3.94Å; N386-F397 HydrophobicContact CB-CE1 4.27Å
387	F	96.7	Very high	91.6	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	156	174.7	65.3	-88.6	0	0	0	110	L343 I356 L371 V396 V398	L343-F387 HydrophobicContact CD1-CE2 3.95Å; L343-F387 HydrophobicContact CD1-CZ 4.1Å; I356-F387 HydrophobicContact CD1-CE1 4.02Å; I356-F387 HydrophobicContact CD1-CZ 3.62Å; I356-F387 HydrophobicContact CG1-CZ 4.48Å; L371-F387 HydrophobicContact CB-CB 4.14Å; L371-F387 HydrophobicContact CB-CD1 4.22Å; L371-F387 HydrophobicContact CB-CD2 3.86Å; L371-F387 HydrophobicContact CB-CE2 4.3Å; L371-F387 HydrophobicContact CB-CG 3.81Å; L371-F387 HydrophobicContact CD1-CD2 4.45Å; L371-F387 HydrophobicContact CD1-CE1 4.15Å; L371-F387 HydrophobicContact CD1-CE2 4.07Å; L371-F387 HydrophobicContact CD1-CZ 3.9Å; L371-F387 HydrophobicContact CD2-CD2 4.34Å; L371-F387 HydrophobicContact CD2-CE2 4.22Å; L371-F387 HydrophobicContact CG-CD2 4.45Å; L371-F387 HydrophobicContact CG-CE2 4.44Å; L371-F387 WeakPolarHBondContact O-CB 3.17Å; F387-V396 HydrophobicContact CD1-CB 4.43Å; F387-V396 HydrophobicContact CD2-CB 4.44Å; F387-V396 HydrophobicContact CE1-CB 3.98Å; F387-V396 HydrophobicContact CE1-CG1 3.89Å; F387-V396 HydrophobicContact CE2-CB 3.99Å; F387-V396 HydrophobicContact CE2-CG1 4.35Å; F387-V396 HydrophobicContact CE2-CG2 4.35Å; F387-V396 HydrophobicContact CZ-CB 3.74Å; F387-V396 HydrophobicContact CZ-CG1 3.65Å; F387-V396 HydrophobicContact CZ-CG2 4.45Å; F387-V396 PolarHBondContact N-O 2.86Å; F387-V396 PolarHBondContact O-N 2.85Å; F387-V398 HydrophobicContact CD1-CG2 3.93Å; F387-V398 HydrophobicContact CE1-CG2 3.82Å
388	P	96.7	Very high	92.4	Very high	76 Å²	76	53.3 Å²	53.3	49%	0.494	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.5	178.7	29.4	-33.8	0	0	0	111	E394	P388-E394 CarbonylContact C-O 3.57Å
389	H	96.3	Very high	92.9	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.056	27%	0.274	C	S	.	.			trans	-59.3	137.6	172.9	-173.7	-75.7	0	0	0	110.1	L343 H347 V391 T392 G393 E394 V396	L343-H389 PolarHBondContact O-NE2 3.11Å; H347-H389 AromaticContact CG-CE1 3.98Å; H389-V391 VanDerWaalsContact C-N 3.28Å; H389-V391 PolarHBondContact ND1-N 3.5Å; H389-V391 VanDerWaalsContact ND1-N 3.11Å; H389-V391 PolarHBondContact O-N 3.12Å; H389-T392 WeakPolarHBondContact CB-OG1 3.46Å; H389-T392 PolarHBondContact ND1-N 2.97Å; H389-G393 WeakPolarHBondContact O-CA 3.49Å; H389-G393 PolarHBondContact O-N 3.06Å; H389-E394 WeakPolarHBondContact CB-O 3.34Å; H389-E394 PolarHBondContact N-O 3.31Å; H389-V396 HydrophobicContact CB-CG2 3.91Å
390	P	94	Very high	93.6	Very high	59 Å²	59	49.2 Å²	49.2	38%	0.383	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.2	-173.5	20.6	-33.5	0	0	0	114.1	L343 E344	L343-P390 HydrophobicContact CB-CG 4.09Å; L343-P390 HydrophobicContact CD1-CG 4.44Å; E344-P390 HydrophobicContact CG-CB 4.29Å; E344-P390 HydrophobicContact CG-CG 3.93Å
391	V	93.9	Very high	94.2	Very high	83 Å²	83	42.6 Å²	42.6	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-57.6	178.5	-170.7	0	0	0	0	113.4	E344 H389	E344-V391 HydrophobicContact CB-CG2 4.31Å; E344-V391 HydrophobicContact CG-CG2 3.65Å; H389-V391 VanDerWaalsContact C-N 3.28Å; H389-V391 PolarHBondContact ND1-N 3.5Å; H389-V391 VanDerWaalsContact ND1-N 3.11Å; H389-V391 PolarHBondContact O-N 3.12Å
392	T	93.6	Very high	94.5	Very high	54 Å²	54	36.5 Å²	36.5	33%	0.331	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.3	-170.3	60.7	0	0	0	0	114.5	H347 H389 E394	H347-T392 WeakPolarHBondContact CE1-CG2 3.42Å; H347-T392 WeakPolarHBondContact NE2-CG2 3.38Å; H389-T392 WeakPolarHBondContact CB-OG1 3.46Å; H389-T392 PolarHBondContact ND1-N 2.97Å; T392-E394 PolarHBondContact O-N 3.26Å; T392-E394 WeakPolarHBondContact OG1-CB 3.49Å; T392-E394 PolarHBondContact OG1-N 3.28Å
393	G	92.5	Very high	94.8	Very high	46 Å²	46	31.5 Å²	31.5	47%	0.474	18%	0.179	S	C	.	.			trans	70	-0.1	-169.3	0	0	0	0	0	114.7	H389	H389-G393 WeakPolarHBondContact O-CA 3.49Å; H389-G393 PolarHBondContact O-N 3.06Å
394	E	93.2	Very high	94.8	Very high	76 Å²	76	32.8 Å²	32.8	36%	0.355	19%	0.185	S	C	.	.			trans	-64.3	154.2	176	-69.2	-172	135.1	0	0	111.3	R352 P388 H389 T392 V396	R352-E394 WeakPolarHBondContact CD-OE2 3.39Å; R352-E394 IonicContact CZ-OE1 4Å; R352-E394 VanDerWaalsContact CZ-OE1 3.26Å; R352-E394 IonicContact CZ-OE2 3.54Å; R352-E394 IonicContact NE-OE1 3.59Å; R352-E394 IonicContact NE-OE2 3.51Å; R352-E394 PolarHBondContact NE-OE2 2.87Å; R352-E394 IonicContact NH1-OE1 3.03Å; R352-E394 PolarHBondContact NH1-OE1 3.2Å; R352-E394 IonicContact NH1-OE2 3.94Å; R352-E394 IonicContact NH2-OE1 3.5Å; R352-E394 PolarHBondContact NH2-OE1 3.34Å; R352-E394 IonicContact NH2-OE2 3.26Å; P388-E394 CarbonylContact C-O 3.57Å; H389-E394 WeakPolarHBondContact CB-O 3.34Å; H389-E394 PolarHBondContact N-O 3.31Å; T392-E394 PolarHBondContact O-N 3.26Å; T392-E394 WeakPolarHBondContact OG1-CB 3.49Å; T392-E394 PolarHBondContact OG1-N 3.28Å; E394-V396 PolarHBondContact O-N 3.15Å
395	K	95.4	Very high	94.8	Very high	109 Å²	109	28.6 Å²	28.6	47%	0.474	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.3	-179.1	-61.4	175.3	-169.9	166	0	110.9	N386	N386-K395 HydrophobicContact CB-CB 4.34Å
396	V	96.9	Very high	94.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119	166	-176.2	0	0	0	0	108	I356 N386 F387 H389 E394	I356-V396 HydrophobicContact CD1-CG1 4.14Å; I356-V396 HydrophobicContact CG1-CG1 3.78Å; N386-V396 WeakPolarHBondContact CA-O 3.36Å; N386-V396 WeakPolarHBondContact CB-O 3.38Å; F387-V396 HydrophobicContact CD1-CB 4.43Å; F387-V396 HydrophobicContact CD2-CB 4.44Å; F387-V396 HydrophobicContact CE1-CB 3.98Å; F387-V396 HydrophobicContact CE1-CG1 3.89Å; F387-V396 HydrophobicContact CE2-CB 3.99Å; F387-V396 HydrophobicContact CE2-CG1 4.35Å; F387-V396 HydrophobicContact CE2-CG2 4.35Å; F387-V396 HydrophobicContact CZ-CB 3.74Å; F387-V396 HydrophobicContact CZ-CG1 3.65Å; F387-V396 HydrophobicContact CZ-CG2 4.45Å; F387-V396 PolarHBondContact N-O 2.86Å; F387-V396 PolarHBondContact O-N 2.85Å; H389-V396 HydrophobicContact CB-CG2 3.91Å; E394-V396 PolarHBondContact O-N 3.15Å
397	F	97.1	Very high	94.7	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.5	-177.9	-66.9	-76.5	0	0	0	112.2	L354 C355 I356 N386 T571 L574 M575	L354-F397 WeakPolarHBondContact O-CD2 3.48Å; L354-F397 PolarHBondContact O-N 3.21Å; C355-F397 CarbonylContact C-O 3.58Å; C355-F397 VanDerWaalsContact CA-O 3.23Å; C355-F397 WeakPolarHBondContact CA-O 3.49Å; C355-F397 HydrophobicContact CB-CB 4.21Å; I356-F397 PolarHBondContact N-O 3.29Å; N386-F397 HydrophobicContact CB-CD1 3.94Å; N386-F397 HydrophobicContact CB-CE1 4.27Å; F397-T571 HydrophobicContact CB-CG2 3.78Å; F397-T571 HydrophobicContact CD1-CG2 4.15Å; F397-T571 HydrophobicContact CG-CG2 4.26Å; F397-L574 HydrophobicContact CE1-CB 3.73Å; F397-L574 HydrophobicContact CE1-CD1 4.46Å; F397-L574 HydrophobicContact CZ-CB 4.36Å; F397-M575 HydrophobicContact CB-SD 4.31Å; F397-M575 HydrophobicContact CD1-CB 4.32Å; F397-M575 HydrophobicContact CD2-CB 4.01Å; F397-M575 HydrophobicContact CD2-CG 3.83Å; F397-M575 HydrophobicContact CD2-SD 4.07Å; F397-M575 HydrophobicContact CE1-CB 4.32Å; F397-M575 HydrophobicContact CE2-CB 4Å; F397-M575 HydrophobicContact CE2-CG 4Å; F397-M575 HydrophobicContact CG-CB 4.17Å; F397-M575 HydrophobicContact CG-CG 4.35Å; F397-M575 HydrophobicContact CG-SD 4.33Å; F397-M575 HydrophobicContact CZ-CB 4.16Å
398	V	96.7	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.5	177	173	0	0	0	0	110.5	I356 M358 L375 T385 F387 T571	I356-V398 WeakPolarHBondContact O-CA 3.4Å; M358-V398 HydrophobicContact CE-CG1 4.03Å; L375-V398 HydrophobicContact CD1-CG1 4.35Å; T385-V398 PolarHBondContact O-N 3.13Å; F387-V398 HydrophobicContact CD1-CG2 3.93Å; F387-V398 HydrophobicContact CE1-CG2 3.82Å; V398-T571 PolarHBondContact O-OG1 3.19Å
399	M	95.6	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.6	172.7	-72	-170.4	71.8	0	0	111.6	I356 T357 M358 N568 T571 L572 M575 F591	I356-M399 PolarHBondContact O-N 2.92Å; T357-M399 WeakPolarHBondContact CA-O 3.18Å; M358-M399 PolarHBondContact N-O 2.94Å; M399-N568 HydrophobicContact CE-CB 4.42Å; M399-T571 HydrophobicContact CG-CG2 3.6Å; M399-T571 HydrophobicContact SD-CG2 4.35Å; M399-L572 HydrophobicContact CE-CD1 4.38Å; M399-L572 HydrophobicContact CE-CD2 4.12Å; M399-L572 HydrophobicContact CE-CG 4.14Å; M399-L572 HydrophobicContact SD-CD2 4.39Å; M399-M575 HydrophobicContact SD-CE 3.92Å; M399-F591 HydrophobicContact CE-CB 4.42Å; M399-F591 HydrophobicContact SD-CB 3.74Å; M399-F591 HydrophobicContact SD-CD2 4.23Å; M399-F591 HydrophobicContact SD-CG 3.99Å
400	M	94.9	Very high	94.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.5	171.5	-53.2	-58.4	-69.8	0	0	108.8	M358 D359 I365 P402 M405 L560 I567 N568	M358-M400 HydrophobicContact CG-SD 4.3Å; M358-M400 CarbonylContact O-C 3.49Å; M358-M400 WeakPolarHBondContact O-CA 3.27Å; D359-M400 WeakPolarHBondContact O-CE 3.4Å; I365-M400 HydrophobicContact CG1-CE 4.32Å; M400-P402 WeakPolarHBondContact O-CD 3.41Å; M400-P402 VanDerWaalsContact O-N 3.08Å; M400-M405 HydrophobicContact CB-CE 4.29Å; M400-M405 HydrophobicContact CB-CG 4.15Å; M400-M405 HydrophobicContact CB-SD 4.24Å; M400-M405 HydrophobicContact CE-CE 4.49Å; M400-L560 HydrophobicContact CE-CD1 4.31Å; M400-I567 HydrophobicContact CG-CB 4.27Å; M400-I567 HydrophobicContact CG-CD1 4.28Å; M400-I567 HydrophobicContact CG-CG2 3.97Å; M400-N568 PolarHBondContact N-OD1 3.26Å; M400-N568 PolarHBondContact O-ND2 2.83Å; M400-N568 PolarHBondContact O-OD1 3.14Å
401	D	93.9	Very high	94.5	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.048	13%	0.131	C	C	.	.			trans	-58.9	116.2	179.1	174.4	44	0	0	0	112.7	M358 C403 H404 M405 S592 Q593	M358-D401 PolarHBondContact O-N 2.89Å; D401-C403 PolarHBondContact O-N 3.4Å; D401-C403 PolarHBondContact OD1-N 3.46Å; D401-C403 VanDerWaalsContact OD2-CB 3.31Å; D401-C403 WeakPolarHBondContact OD2-CB 3.36Å; D401-H404 HydrophobicContact CB-CB 4.06Å; D401-H404 PolarHBondContact O-N 3.45Å; D401-H404 VanDerWaalsContact O-N 3.15Å; D401-H404 WeakPolarHBondContact OD2-CB 3.28Å; D401-H404 PolarHBondContact OD2-N 2.93Å; D401-M405 WeakPolarHBondContact O-CG 3.5Å; D401-M405 PolarHBondContact O-N 3.24Å; D401-S592 PolarHBondContact OD1-OG 3.49Å; D401-Q593 HydrophobicContact CB-CB 4.07Å; D401-Q593 HydrophobicContact CB-CG 3.84Å
402	P	93.4	Very high	94.6	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-33.2	-179.1	-23.8	34.5	0	0	0	112.9	M400 M405 L406 F506 M509	M400-P402 WeakPolarHBondContact O-CD 3.41Å; M400-P402 VanDerWaalsContact O-N 3.08Å; P402-M405 PolarHBondContact O-N 3.03Å; P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.27Å; P402-F506 HydrophobicContact CB-CD2 4.11Å; P402-F506 HydrophobicContact CB-CE2 4.13Å; P402-M509 HydrophobicContact CB-CB 4.05Å; P402-M509 HydrophobicContact CG-CB 3.88Å
403	C	92.6	Very high	94.6	Very high	3 Å²	3	17 Å²	17	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-42.3	177.7	-74.4	0	0	0	0	111.1	D401 K407 V463 D594	D401-C403 PolarHBondContact O-N 3.4Å; D401-C403 PolarHBondContact OD1-N 3.46Å; D401-C403 VanDerWaalsContact OD2-CB 3.31Å; D401-C403 WeakPolarHBondContact OD2-CB 3.36Å; C403-K407 PolarHBondContact O-N 3.15Å; C403-V463 HydrophobicContact CB-CG1 3.85Å; C403-V463 HydrophobicContact CB-CG2 4.2Å; C403-D594 PolarHBondContact SG-OD1 3.04Å
404	H	91.8	Very high	94.6	Very high	35 Å²	35	17.6 Å²	17.6	16%	0.162	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-45.2	172.2	-172.8	-132.7	0	0	0	111.9	G360 D401 L406 K407 L408	G360-H404 PolarHBondContact N-CE1 3.11Å; G360-H404 PolarHBondContact N-ND1 3.05Å; G360-H404 VanDerWaalsContact N-ND1 3.15Å; D401-H404 HydrophobicContact CB-CB 4.06Å; D401-H404 PolarHBondContact O-N 3.45Å; D401-H404 VanDerWaalsContact O-N 3.15Å; D401-H404 WeakPolarHBondContact OD2-CB 3.28Å; D401-H404 PolarHBondContact OD2-N 2.93Å; H404-L406 VanDerWaalsContact C-N 3.28Å; H404-L406 PolarHBondContact O-N 3.35Å; H404-K407 WeakPolarHBondContact O-CB 3.12Å; H404-K407 PolarHBondContact O-N 2.8Å; H404-K407 VanDerWaalsContact O-N 3.1Å; H404-L408 PolarHBondContact O-N 3.13Å
405	M	94.7	Very high	94.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-41.2	178.1	-65.2	-51.2	101.4	0	0	111.7	M400 D401 P402 K407 L408 T409 L560 G564 F565	M400-M405 HydrophobicContact CB-CE 4.29Å; M400-M405 HydrophobicContact CB-CG 4.15Å; M400-M405 HydrophobicContact CB-SD 4.24Å; M400-M405 HydrophobicContact CE-CE 4.49Å; D401-M405 WeakPolarHBondContact O-CG 3.5Å; D401-M405 PolarHBondContact O-N 3.24Å; P402-M405 PolarHBondContact O-N 3.03Å; M405-K407 PolarHBondContact O-N 3.42Å; M405-L408 HydrophobicContact CE-CD1 3.73Å; M405-L408 WeakPolarHBondContact O-CB 3.42Å; M405-L408 PolarHBondContact O-N 3.18Å; M405-L408 VanDerWaalsContact O-N 3.11Å; M405-L408 HydrophobicContact SD-CD1 4.2Å; M405-T409 PolarHBondContact O-N 3.25Å; M405-T409 PolarHBondContact O-OG1 2.89Å; M405-L560 HydrophobicContact CE-CG 4.47Å; M405-L560 HydrophobicContact SD-CG 4.36Å; M405-G564 VanDerWaalsContact SD-CA 3.59Å; M405-F565 HydrophobicContact CB-CD1 4.49Å; M405-F565 HydrophobicContact CB-CD2 3.96Å; M405-F565 HydrophobicContact CB-CE1 4.16Å; M405-F565 HydrophobicContact CB-CE2 3.59Å; M405-F565 HydrophobicContact CB-CG 4.4Å; M405-F565 HydrophobicContact CB-CZ 3.7Å
406	L	95.1	Very high	94.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-41.2	175.8	-169	65.9	0	0	0	112.8	P402 H404 L408 T409 R410 A466 A467 L470 I502 F506	P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.27Å; H404-L406 VanDerWaalsContact C-N 3.28Å; H404-L406 PolarHBondContact O-N 3.35Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-T409 PolarHBondContact O-N 2.73Å; L406-R410 PolarHBondContact O-N 3.35Å; L406-A466 HydrophobicContact CG-CB 4.31Å; L406-A467 HydrophobicContact CD2-CB 3.72Å; L406-L470 HydrophobicContact CD1-CB 4.18Å; L406-L470 HydrophobicContact CD1-CD1 3.81Å; L406-L470 HydrophobicContact CG-CD1 4.49Å; L406-I502 HydrophobicContact CD1-CG2 3.5Å; L406-F506 HydrophobicContact CB-CD2 4.23Å; L406-F506 HydrophobicContact CB-CE2 4.38Å; L406-F506 HydrophobicContact CD1-CB 4.42Å; L406-F506 HydrophobicContact CD1-CG 4.43Å; L406-F506 HydrophobicContact CD2-CD1 3.92Å; L406-F506 HydrophobicContact CD2-CD2 3.85Å; L406-F506 HydrophobicContact CD2-CE1 3.9Å; L406-F506 HydrophobicContact CD2-CE2 3.85Å; L406-F506 HydrophobicContact CD2-CG 3.88Å; L406-F506 HydrophobicContact CD2-CZ 3.86Å; L406-F506 HydrophobicContact CG-CD2 4.47Å
407	K	93.8	Very high	94.2	Very high	18 Å²	18	15.5 Å²	15.5	8%	0.078	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-43.4	173.4	-72.1	-179.4	-69.5	-176.6	0	111.1	C403 H404 M405 R410 N411 M461 V463 A466	C403-K407 PolarHBondContact O-N 3.15Å; H404-K407 WeakPolarHBondContact O-CB 3.12Å; H404-K407 PolarHBondContact O-N 2.8Å; H404-K407 VanDerWaalsContact O-N 3.1Å; M405-K407 PolarHBondContact O-N 3.42Å; K407-R410 PolarHBondContact O-N 2.96Å; K407-N411 PolarHBondContact O-N 3.25Å; K407-N411 PolarHBondContact O-ND2 3.05Å; K407-N411 PolarHBondContact O-OD1 3.33Å; K407-M461 WeakPolarHBondContact CD-O 3.48Å; K407-V463 HydrophobicContact CD-CG2 3.65Å; K407-V463 HydrophobicContact CG-CG2 4.12Å; K407-A466 HydrophobicContact CG-CB 4.21Å
408	L	94.6	Very high	94	Very high	36 Å²	36	17.1 Å²	17.1	19%	0.188	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-41.6	178.4	-65.7	-178.4	0	0	0	111.7	H404 M405 L406 N411 M412 L560	H404-L408 PolarHBondContact O-N 3.13Å; M405-L408 HydrophobicContact CE-CD1 3.73Å; M405-L408 WeakPolarHBondContact O-CB 3.42Å; M405-L408 PolarHBondContact O-N 3.18Å; M405-L408 VanDerWaalsContact O-N 3.11Å; M405-L408 HydrophobicContact SD-CD1 4.2Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L408-N411 PolarHBondContact O-N 2.77Å; L408-M412 VanDerWaalsContact O-CB 3.23Å; L408-M412 WeakPolarHBondContact O-CB 3.41Å; L408-M412 PolarHBondContact O-N 3.01Å; L408-L560 HydrophobicContact CD1-CB 4.23Å; L408-L560 HydrophobicContact CD1-CD2 3.85Å; L408-L560 HydrophobicContact CD1-CG 3.97Å
409	T	95.4	Very high	93.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.7	-56.3	0	0	0	0	112.1	M405 L406 N411 M412 L413 L470 F498 I502 S561 F565	M405-T409 PolarHBondContact O-N 3.25Å; M405-T409 PolarHBondContact O-OG1 2.89Å; L406-T409 PolarHBondContact O-N 2.73Å; T409-N411 PolarHBondContact O-N 2.9Å; T409-M412 HydrophobicContact CG2-CE 4.1Å; T409-M412 PolarHBondContact O-N 2.75Å; T409-L413 WeakPolarHBondContact O-CB 3.41Å; T409-L413 PolarHBondContact O-N 2.97Å; T409-L470 HydrophobicContact CG2-CD1 4.15Å; T409-F498 HydrophobicContact CG2-CE1 4.3Å; T409-F498 HydrophobicContact CG2-CZ 3.72Å; T409-I502 HydrophobicContact CG2-CD1 3.98Å; T409-I502 HydrophobicContact CG2-CG1 4.03Å; T409-I502 HydrophobicContact CG2-CG2 4.34Å; T409-S561 PolarHBondContact OG1-O 3.01Å; T409-S561 VanDerWaalsContact OG1-O 3.11Å; T409-F565 WeakPolarHBondContact OG1-CE2 3.46Å
410	R	95.6	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-48.1	172.7	-178.4	-155.6	59.1	-149.4	-9.6	111.3	L406 K407 M412 L413 Q414 W428 F456 K460 A466 L470	L406-R410 PolarHBondContact O-N 3.35Å; K407-R410 PolarHBondContact O-N 2.96Å; R410-M412 VanDerWaalsContact C-N 3.27Å; R410-M412 PolarHBondContact O-N 2.69Å; R410-L413 PolarHBondContact O-N 2.98Å; R410-Q414 PolarHBondContact O-N 3.17Å; R410-Q414 VanDerWaalsContact O-N 3.15Å; R410-W428 HydrophobicContact CG-CH2 3.91Å; R410-W428 HydrophobicContact CG-CZ3 4.01Å; R410-F456 HydrophobicContact CG-CE1 4.05Å; R410-F456 HydrophobicContact CG-CZ 4.12Å; R410-F456 VanDerWaalsContact CZ-CD2 3.44Å; R410-F456 VanDerWaalsContact NE-CE2 3.26Å; R410-K460 PolarHBondContact NH2-O 2.65Å; R410-A466 HydrophobicContact CB-CB 4.26Å; R410-L470 HydrophobicContact CB-CD1 3.98Å
411	N	94.4	Very high	93.6	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.053	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-36.3	-179.8	-62.1	-16.9	0	0	0	112	K407 L408 T409 A415 F456 K460	K407-N411 PolarHBondContact O-N 3.25Å; K407-N411 PolarHBondContact O-ND2 3.05Å; K407-N411 PolarHBondContact O-OD1 3.33Å; L408-N411 PolarHBondContact O-N 2.77Å; T409-N411 PolarHBondContact O-N 2.9Å; N411-A415 VanDerWaalsContact O-CB 3.31Å; N411-A415 WeakPolarHBondContact O-CB 3.47Å; N411-A415 PolarHBondContact O-N 3.32Å; N411-F456 WeakPolarHBondContact OD1-CE2 3.38Å; N411-K460 WeakPolarHBondContact ND2-CE 3.26Å
412	M	94.5	Very high	93	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-46.2	176.3	175.7	-78	-64.3	0	0	110.7	L408 T409 R410 Q414 A415 Y416 I419 F498 L553 R558 S561	L408-M412 VanDerWaalsContact O-CB 3.23Å; L408-M412 WeakPolarHBondContact O-CB 3.41Å; L408-M412 PolarHBondContact O-N 3.01Å; T409-M412 HydrophobicContact CG2-CE 4.1Å; T409-M412 PolarHBondContact O-N 2.75Å; R410-M412 VanDerWaalsContact C-N 3.27Å; R410-M412 PolarHBondContact O-N 2.69Å; M412-Q414 VanDerWaalsContact C-N 3.32Å; M412-Q414 PolarHBondContact O-N 2.81Å; M412-A415 PolarHBondContact O-N 3.18Å; M412-A415 VanDerWaalsContact O-N 3.11Å; M412-Y416 HydrophobicContact CG-CD2 3.9Å; M412-Y416 PolarHBondContact O-N 2.95Å; M412-Y416 HydrophobicContact SD-CD2 4.46Å; M412-I419 HydrophobicContact CE-CD1 4.07Å; M412-I419 HydrophobicContact SD-CD1 3.29Å; M412-I419 WeakPolarHBondContact SD-CD1 3.21Å; M412-I419 HydrophobicContact SD-CG1 4.4Å; M412-F498 HydrophobicContact CE-CZ 4.15Å; M412-L553 HydrophobicContact CE-CD2 3.67Å; M412-L553 HydrophobicContact CG-CD1 4.09Å; M412-L553 HydrophobicContact CG-CD2 4.26Å; M412-L553 HydrophobicContact SD-CD1 3.97Å; M412-L553 HydrophobicContact SD-CD2 3.51Å; M412-L553 VanDerWaalsContact SD-CD2 3.51Å; M412-L553 HydrophobicContact SD-CG 4.28Å; M412-R558 HydrophobicContact CB-CB 4.35Å; M412-R558 HydrophobicContact CG-CB 4.22Å; M412-S561 WeakPolarHBondContact CG-OG 3.49Å
413	L	94.6	Very high	92.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-45.1	179.3	179.5	61.9	0	0	0	111.7	T409 R410 S417 I419 I426 W428 I431 L470 F498	T409-L413 WeakPolarHBondContact O-CB 3.41Å; T409-L413 PolarHBondContact O-N 2.97Å; R410-L413 PolarHBondContact O-N 2.98Å; L413-S417 WeakPolarHBondContact O-CB 3.17Å; L413-S417 PolarHBondContact O-N 2.8Å; L413-I419 HydrophobicContact CD1-CD1 3.87Å; L413-I426 HydrophobicContact CD1-CB 4.42Å; L413-I426 HydrophobicContact CD1-CG2 3.38Å; L413-W428 HydrophobicContact CB-CE3 4.3Å; L413-W428 HydrophobicContact CD2-CE3 3.74Å; L413-W428 HydrophobicContact CD2-CZ3 4.05Å; L413-W428 HydrophobicContact CG-CE3 3.8Å; L413-W428 HydrophobicContact CG-CZ3 4.4Å; L413-I431 HydrophobicContact CD2-CD1 4.12Å; L413-L470 HydrophobicContact CD2-CD2 4.05Å; L413-F498 HydrophobicContact CD1-CE1 4.27Å; L413-F498 HydrophobicContact CD2-CD1 4.47Å; L413-F498 HydrophobicContact CD2-CE1 4.11Å
414	Q	93.2	Very high	92.4	Very high	60 Å²	60	30.4 Å²	30.4	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-64.4	-42	176.5	-169.3	-168.6	30.5	0	0	111.9	R410 M412 W428 F456	R410-Q414 PolarHBondContact O-N 3.17Å; R410-Q414 VanDerWaalsContact O-N 3.15Å; M412-Q414 VanDerWaalsContact C-N 3.32Å; M412-Q414 PolarHBondContact O-N 2.81Å; Q414-W428 HydrophobicContact CB-CD2 3.99Å; Q414-W428 HydrophobicContact CB-CE3 4.17Å; Q414-W428 HydrophobicContact CB-CG 4.34Å; Q414-W428 HydrophobicContact CG-CD2 4.13Å; Q414-W428 HydrophobicContact CG-CG 4.2Å; Q414-F456 HydrophobicContact CB-CE1 4.19Å; Q414-F456 HydrophobicContact CB-CZ 4.1Å; Q414-F456 HydrophobicContact CG-CE1 4.33Å; Q414-F456 HydrophobicContact CG-CZ 4.45Å
415	A	92.3	Very high	92.5	Very high	49 Å²	49	34.4 Å²	34.4	41%	0.405	20%	0.203	S	C	.	.	H	α-helix	trans	-77.7	-33	-172.3	0	0	0	0	0	114.6	N411 M412	N411-A415 VanDerWaalsContact O-CB 3.31Å; N411-A415 WeakPolarHBondContact O-CB 3.47Å; N411-A415 PolarHBondContact O-N 3.32Å; M412-A415 PolarHBondContact O-N 3.18Å; M412-A415 VanDerWaalsContact O-N 3.11Å
416	Y	92.8	Very high	92.5	Very high	60 Å²	60	34.4 Å²	34.4	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-109.3	10.1	-176.8	-68.5	-40.8	0	0	0	113.8	M412 P418 I419 T547 L553 R558	M412-Y416 HydrophobicContact CG-CD2 3.9Å; M412-Y416 PolarHBondContact O-N 2.95Å; M412-Y416 HydrophobicContact SD-CD2 4.46Å; Y416-P418 CarbonylContact O-C 3.54Å; Y416-I419 WeakPolarHBondContact O-CG1 3.45Å; Y416-I419 PolarHBondContact O-N 3.39Å; Y416-T547 HydrophobicContact CD2-CG2 4.47Å; Y416-T547 HydrophobicContact CG-CG2 4.47Å; Y416-L553 HydrophobicContact CD2-CD1 3.6Å; Y416-L553 HydrophobicContact CE2-CD1 4.06Å; Y416-R558 HydrophobicContact CE2-CB 3.75Å; Y416-R558 HydrophobicContact CE2-CG 3.74Å
417	S	90.6	Very high	92.5	Very high	34 Å²	34	35.8 Å²	35.8	24%	0.238	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.8	127.7	172.9	174.8	0	0	0	0	111.1	L413 N427 W428	L413-S417 WeakPolarHBondContact O-CB 3.17Å; L413-S417 PolarHBondContact O-N 2.8Å; S417-N427 VanDerWaalsContact OG-CA 3.31Å; S417-N427 WeakPolarHBondContact OG-CA 3.05Å; S417-N427 VanDerWaalsContact OG-CG 3.24Å; S417-N427 PolarHBondContact OG-OD1 2.94Å; S417-W428 PolarHBondContact OG-N 3.31Å
418	P	93.7	Very high	92.6	Very high	38 Å²	38	36 Å²	36	25%	0.247	21%	0.211	C	C	.	.	S	Bend	cis	-81.3	137.7	0.7	32	-33.5	0	0	0	113.6	Y416 H425 I426	Y416-P418 CarbonylContact O-C 3.54Å; P418-H425 HydrophobicContact CB-CB 4.18Å; P418-I426 CarbonylContact C-O 3.57Å; P418-I426 VanDerWaalsContact CA-O 3.29Å; P418-I426 WeakPolarHBondContact CA-O 3.32Å
419	I	94.5	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.1	172.1	-56.6	166.6	0	0	0	107.8	M412 L413 Y416 H425 I426 L545 L546	M412-I419 HydrophobicContact CE-CD1 4.07Å; M412-I419 HydrophobicContact SD-CD1 3.29Å; M412-I419 WeakPolarHBondContact SD-CD1 3.21Å; M412-I419 HydrophobicContact SD-CG1 4.4Å; L413-I419 HydrophobicContact CD1-CD1 3.87Å; Y416-I419 WeakPolarHBondContact O-CG1 3.45Å; Y416-I419 PolarHBondContact O-N 3.39Å; I419-H425 CarbonylContact O-C 3.57Å; I419-H425 WeakPolarHBondContact O-CA 3.33Å; I419-I426 HydrophobicContact CB-CB 4.2Å; I419-I426 HydrophobicContact CB-CD1 4.33Å; I419-I426 HydrophobicContact CG2-CD1 4.26Å; I419-I426 PolarHBondContact N-O 3.35Å; I419-I426 PolarHBondContact O-N 3.23Å; I419-L545 HydrophobicContact CG2-CB 4.22Å; I419-L546 VanDerWaalsContact CG2-O 3.25Å; I419-L546 WeakPolarHBondContact CG2-O 3.46Å
420	A	92.9	Very high	92.7	Very high	23 Å²	23	39 Å²	39	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.8	179	0	0	0	0	0	111.3	L546	A420-L546 HydrophobicContact CB-CB 4.2Å; A420-L546 PolarHBondContact N-O 3Å; A420-L546 PolarHBondContact O-N 3.24Å
421	T	90.9	Very high	92.7	Very high	21 Å²	21	39 Å²	39	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	169.3	175.7	68.7	0	0	0	0	109.6	T423 G424 I426 L545	T421-T423 PolarHBondContact O-N 3.07Å; T421-T423 PolarHBondContact OG1-N 3.43Å; T421-T423 PolarHBondContact OG1-OG1 2.88Å; T421-G424 WeakPolarHBondContact CB-O 3.46Å; T421-G424 PolarHBondContact N-O 2.94Å; T421-G424 PolarHBondContact O-N 3.06Å; T421-G424 PolarHBondContact OG1-N 3.19Å; T421-G424 PolarHBondContact OG1-O 3.37Å; T421-I426 HydrophobicContact CG2-CD1 3.33Å; T421-I426 HydrophobicContact CG2-CG1 3.61Å; T421-L545 HydrophobicContact CG2-CD2 3.54Å
422	T	82.3	Confident	92.7	Very high	116 Å²	116	43.2 Å²	43.2	71%	0.712	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.2	175.9	52.2	0	0	0	0	113.4
423	T	83	Confident	92.7	Very high	107 Å²	107	44.9 Å²	44.9	66%	0.656	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-3.7	-175.4	57	0	0	0	0	113.9	T421	T421-T423 PolarHBondContact O-N 3.07Å; T421-T423 PolarHBondContact OG1-N 3.43Å; T421-T423 PolarHBondContact OG1-OG1 2.88Å
424	G	89.3	Confident	92.7	Very high	28 Å²	28	44.9 Å²	44.9	29%	0.289	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	-157.2	-180	0	0	0	0	0	113.8	T421	T421-G424 WeakPolarHBondContact CB-O 3.46Å; T421-G424 PolarHBondContact N-O 2.94Å; T421-G424 PolarHBondContact O-N 3.06Å; T421-G424 PolarHBondContact OG1-N 3.19Å; T421-G424 PolarHBondContact OG1-O 3.37Å
425	H	93.5	Very high	92.8	Very high	119 Å²	119	42.2 Å²	42.2	55%	0.551	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.1	-177.1	-64.6	-69.1	0	0	0	112.5	P418 I419	P418-H425 HydrophobicContact CB-CB 4.18Å; I419-H425 CarbonylContact O-C 3.57Å; I419-H425 WeakPolarHBondContact O-CA 3.33Å
426	I	96.1	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.1	171.8	-51.7	162.7	0	0	0	107.9	L413 P418 I419 T421 T495 F498 L545	L413-I426 HydrophobicContact CD1-CB 4.42Å; L413-I426 HydrophobicContact CD1-CG2 3.38Å; P418-I426 CarbonylContact C-O 3.57Å; P418-I426 VanDerWaalsContact CA-O 3.29Å; P418-I426 WeakPolarHBondContact CA-O 3.32Å; I419-I426 HydrophobicContact CB-CB 4.2Å; I419-I426 HydrophobicContact CB-CD1 4.33Å; I419-I426 HydrophobicContact CG2-CD1 4.26Å; I419-I426 PolarHBondContact N-O 3.35Å; I419-I426 PolarHBondContact O-N 3.23Å; T421-I426 HydrophobicContact CG2-CD1 3.33Å; T421-I426 HydrophobicContact CG2-CG1 3.61Å; I426-T495 WeakPolarHBondContact CA-OG1 3.45Å; I426-T495 HydrophobicContact CG2-CG2 4.17Å; I426-F498 HydrophobicContact CD1-CB 3.7Å; I426-F498 HydrophobicContact CD1-CD1 4.44Å; I426-F498 HydrophobicContact CD1-CD2 3.51Å; I426-F498 HydrophobicContact CD1-CE2 4.24Å; I426-F498 HydrophobicContact CD1-CG 3.62Å; I426-F498 HydrophobicContact CG1-CB 3.96Å; I426-F498 HydrophobicContact CG1-CG 4.29Å; I426-F498 HydrophobicContact CG2-CB 4.04Å; I426-F498 HydrophobicContact CG2-CD1 3.86Å; I426-F498 HydrophobicContact CG2-CG 3.98Å; I426-L545 HydrophobicContact CD1-CD2 3.99Å
427	N	95.6	Very high	92.8	Very high	29 Å²	29	39.8 Å²	39.8	16%	0.155	22%	0.218	C	C	.	.			trans	-136.9	130.2	-172.9	-158.3	-45.8	0	0	0	113.2	S417 K429 Y430 T495	S417-N427 VanDerWaalsContact OG-CA 3.31Å; S417-N427 WeakPolarHBondContact OG-CA 3.05Å; S417-N427 VanDerWaalsContact OG-CG 3.24Å; S417-N427 PolarHBondContact OG-OD1 2.94Å; N427-K429 HydrophobicContact CB-CD 4.35Å; N427-K429 HydrophobicContact CB-CG 4.01Å; N427-K429 VanDerWaalsContact CG-CG 3.48Å; N427-K429 PolarHBondContact O-N 3.47Å; N427-K429 VanDerWaalsContact OD1-CB 3.26Å; N427-K429 WeakPolarHBondContact OD1-CB 2.97Å; N427-K429 WeakPolarHBondContact OD1-CG 3.46Å; N427-K429 PolarHBondContact OD1-N 3.03Å; N427-Y430 HydrophobicContact CB-CD2 3.95Å; N427-Y430 HydrophobicContact CB-CE2 3.79Å; N427-Y430 WeakPolarHBondContact O-CD2 3.2Å; N427-Y430 PolarHBondContact O-N 3.11Å; N427-T495 PolarHBondContact N-OG1 3.33Å
428	W	95.9	Very high	92.8	Very high	22 Å²	22	38.3 Å²	38.3	8%	0.083	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	175.9	-173.9	-99.3	0	0	0	112.8	R410 L413 Q414 S417 Y430 I431 Y432 F456 T469	R410-W428 HydrophobicContact CG-CH2 3.91Å; R410-W428 HydrophobicContact CG-CZ3 4.01Å; L413-W428 HydrophobicContact CB-CE3 4.3Å; L413-W428 HydrophobicContact CD2-CE3 3.74Å; L413-W428 HydrophobicContact CD2-CZ3 4.05Å; L413-W428 HydrophobicContact CG-CE3 3.8Å; L413-W428 HydrophobicContact CG-CZ3 4.4Å; Q414-W428 HydrophobicContact CB-CD2 3.99Å; Q414-W428 HydrophobicContact CB-CE3 4.17Å; Q414-W428 HydrophobicContact CB-CG 4.34Å; Q414-W428 HydrophobicContact CG-CD2 4.13Å; Q414-W428 HydrophobicContact CG-CG 4.2Å; S417-W428 PolarHBondContact OG-N 3.31Å; W428-Y430 PolarHBondContact O-N 3.26Å; W428-Y430 VanDerWaalsContact O-N 3.11Å; W428-I431 HydrophobicContact CD2-CD1 4.12Å; W428-I431 HydrophobicContact CE3-CD1 3.5Å; W428-I431 HydrophobicContact CH2-CD1 4.22Å; W428-I431 HydrophobicContact CZ3-CD1 3.58Å; W428-I431 PolarHBondContact O-N 3.38Å; W428-Y432 PolarHBondContact O-N 3.27Å; W428-F456 AromaticContact CH2-CD1 3.97Å; W428-F456 HydrophobicContact CH2-CD1 3.97Å; W428-F456 AromaticContact CH2-CE1 3.51Å; W428-F456 HydrophobicContact CH2-CE1 3.51Å; W428-F456 AromaticContact CZ2-CD1 3.87Å; W428-F456 HydrophobicContact CZ2-CD1 3.87Å; W428-F456 AromaticContact CZ2-CE1 3.52Å; W428-F456 HydrophobicContact CZ2-CE1 3.52Å; W428-F456 HydrophobicContact CZ3-CE1 4.43Å; W428-T469 HydrophobicContact CH2-CG2 3.74Å; W428-T469 HydrophobicContact CZ3-CG2 3.93Å
429	K	95.1	Very high	92.7	Very high	90 Å²	90	41.9 Å²	41.9	39%	0.391	22%	0.219	S	C	.	.	H	α-helix	trans	-53.7	-33.5	179.3	76.9	-175.2	176.7	168.6	0	113	N427 I431 Y432 H433	N427-K429 HydrophobicContact CB-CD 4.35Å; N427-K429 HydrophobicContact CB-CG 4.01Å; N427-K429 VanDerWaalsContact CG-CG 3.48Å; N427-K429 PolarHBondContact O-N 3.47Å; N427-K429 VanDerWaalsContact OD1-CB 3.26Å; N427-K429 WeakPolarHBondContact OD1-CB 2.97Å; N427-K429 WeakPolarHBondContact OD1-CG 3.46Å; N427-K429 PolarHBondContact OD1-N 3.03Å; K429-I431 VanDerWaalsContact C-N 3.3Å; K429-I431 PolarHBondContact O-N 3.38Å; K429-Y432 WeakPolarHBondContact O-CB 3.46Å; K429-Y432 PolarHBondContact O-N 3.06Å; K429-H433 PolarHBondContact O-CD2 2.86Å; K429-H433 PolarHBondContact O-N 3.36Å
430	Y	95.9	Very high	92.5	Very high	11 Å²	11	48.2 Å²	48.2	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-30.6	-178.7	-61.2	-60.5	0	0	0	112.5	N427 W428 L434 L488 F489 D491 C492 T495	N427-Y430 HydrophobicContact CB-CD2 3.95Å; N427-Y430 HydrophobicContact CB-CE2 3.79Å; N427-Y430 WeakPolarHBondContact O-CD2 3.2Å; N427-Y430 PolarHBondContact O-N 3.11Å; W428-Y430 PolarHBondContact O-N 3.26Å; W428-Y430 VanDerWaalsContact O-N 3.11Å; Y430-L434 VanDerWaalsContact O-CB 3.26Å; Y430-L434 WeakPolarHBondContact O-CB 3.28Å; Y430-L434 PolarHBondContact O-N 3.19Å; Y430-L488 WeakPolarHBondContact CD1-O 3.46Å; Y430-L488 WeakPolarHBondContact CE1-O 3.47Å; Y430-F489 HydrophobicContact CD1-CD1 4.3Å; Y430-D491 VanDerWaalsContact OH-C 3.22Å; Y430-D491 PolarHBondContact OH-O 3.13Å; Y430-C492 HydrophobicContact CD1-CB 3.85Å; Y430-C492 HydrophobicContact CD2-CB 4.16Å; Y430-C492 HydrophobicContact CE1-CB 3.94Å; Y430-C492 HydrophobicContact CE2-CB 4.21Å; Y430-C492 HydrophobicContact CG-CB 3.98Å; Y430-T495 HydrophobicContact CD2-CG2 4.11Å; Y430-T495 VanDerWaalsContact CD2-OG1 3.25Å; Y430-T495 WeakPolarHBondContact CD2-OG1 3.33Å; Y430-T495 WeakPolarHBondContact CE2-OG1 3.48Å
431	I	94.9	Very high	92.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71.7	-38.6	174.7	-62.5	164.3	0	0	0	110	L413 W428 K429 N435 I449 V454 T469 I499	L413-I431 HydrophobicContact CD2-CD1 4.12Å; W428-I431 HydrophobicContact CD2-CD1 4.12Å; W428-I431 HydrophobicContact CE3-CD1 3.5Å; W428-I431 HydrophobicContact CH2-CD1 4.22Å; W428-I431 HydrophobicContact CZ3-CD1 3.58Å; W428-I431 PolarHBondContact O-N 3.38Å; K429-I431 VanDerWaalsContact C-N 3.3Å; K429-I431 PolarHBondContact O-N 3.38Å; I431-N435 PolarHBondContact O-N 3.39Å; I431-N435 VanDerWaalsContact O-N 3.15Å; I431-I449 HydrophobicContact CG2-CD1 4.48Å; I431-V454 HydrophobicContact CG2-CG2 4.38Å; I431-T469 HydrophobicContact CD1-CG2 3.87Å; I431-T469 HydrophobicContact CG2-CG2 4.29Å; I431-I499 HydrophobicContact CD1-CD1 4.38Å
432	Y	95.1	Very high	91.9	Very high	99 Å²	99	54.1 Å²	54.1	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-52.2	173	172.9	-93.9	0	0	0	111.5	W428 K429 L434 N435 D436 V454 Y455	W428-Y432 PolarHBondContact O-N 3.27Å; K429-Y432 WeakPolarHBondContact O-CB 3.46Å; K429-Y432 PolarHBondContact O-N 3.06Å; Y432-L434 VanDerWaalsContact C-N 3.3Å; Y432-L434 PolarHBondContact O-N 3.4Å; Y432-N435 WeakPolarHBondContact O-CB 3.09Å; Y432-N435 PolarHBondContact O-N 3.02Å; Y432-N435 VanDerWaalsContact O-N 3.15Å; Y432-D436 PolarHBondContact O-N 3.11Å; Y432-V454 HydrophobicContact CD2-CG1 3.88Å; Y432-Y455 WeakPolarHBondContact CE2-OH 3.08Å
433	H	94.6	Very high	91.9	Very high	36 Å²	36	55.1 Å²	55.1	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-37.9	178.2	-65.6	-46.9	0	0	0	112.2	K429 N435 D436 V437 F489	K429-H433 PolarHBondContact O-CD2 2.86Å; K429-H433 PolarHBondContact O-N 3.36Å; H433-N435 VanDerWaalsContact C-N 3.34Å; H433-N435 PolarHBondContact O-N 3.07Å; H433-D436 PolarHBondContact O-N 3.25Å; H433-V437 WeakPolarHBondContact O-CG2 3.24Å; H433-V437 PolarHBondContact O-N 3.39Å; H433-F489 HydrophobicContact CB-CE1 4.27Å; H433-F489 HydrophobicContact CB-CE2 4.27Å; H433-F489 HydrophobicContact CB-CZ 3.73Å
434	L	94.4	Very high	92	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-44	175.7	-179.7	63.4	0	0	0	111.4	Y430 Y432 Q438 I449 V474 A477 L478 M481 F489	Y430-L434 VanDerWaalsContact O-CB 3.26Å; Y430-L434 WeakPolarHBondContact O-CB 3.28Å; Y430-L434 PolarHBondContact O-N 3.19Å; Y432-L434 VanDerWaalsContact C-N 3.3Å; Y432-L434 PolarHBondContact O-N 3.4Å; L434-Q438 HydrophobicContact CD1-CG 4.46Å; L434-Q438 WeakPolarHBondContact O-CB 3.39Å; L434-Q438 WeakPolarHBondContact O-CG 3.48Å; L434-Q438 PolarHBondContact O-N 3.49Å; L434-Q438 VanDerWaalsContact O-N 3.15Å; L434-I449 HydrophobicContact CD2-CG1 4.47Å; L434-V474 HydrophobicContact CD2-CG1 4.06Å; L434-A477 HydrophobicContact CD1-CB 4.11Å; L434-A477 HydrophobicContact CD2-CB 4.02Å; L434-L478 HydrophobicContact CB-CD2 4.16Å; L434-L478 HydrophobicContact CD2-CD2 4.11Å; L434-M481 HydrophobicContact CD1-CE 3.92Å; L434-M481 HydrophobicContact CD1-CG 4.04Å; L434-F489 HydrophobicContact CB-CE1 4.24Å; L434-F489 HydrophobicContact CB-CZ 4.34Å
435	N	94.8	Very high	91.7	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-40.5	176.6	-174.5	55.9	0	0	0	112	I431 Y432 H433 Q438 K439 I449 S450 D451 V454	I431-N435 PolarHBondContact O-N 3.39Å; I431-N435 VanDerWaalsContact O-N 3.15Å; Y432-N435 WeakPolarHBondContact O-CB 3.09Å; Y432-N435 PolarHBondContact O-N 3.02Å; Y432-N435 VanDerWaalsContact O-N 3.15Å; H433-N435 VanDerWaalsContact C-N 3.34Å; H433-N435 PolarHBondContact O-N 3.07Å; N435-Q438 PolarHBondContact O-N 3.47Å; N435-K439 WeakPolarHBondContact O-CG 3.43Å; N435-K439 PolarHBondContact O-N 2.83Å; N435-I449 HydrophobicContact CB-CG2 3.81Å; N435-S450 VanDerWaalsContact OD1-C 3.32Å; N435-S450 VanDerWaalsContact OD1-CA 3.3Å; N435-S450 WeakPolarHBondContact OD1-CA 3.46Å; N435-D451 PolarHBondContact ND2-OD1 2.94Å; N435-V454 HydrophobicContact CB-CG2 3.67Å
436	D	93.4	Very high	91.1	Very high	51 Å²	51	54.5 Å²	54.5	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-49.4	179	-175.3	47.8	0	0	0	112.1	Y432 H433 Q438 K439 Q440	Y432-D436 PolarHBondContact O-N 3.11Å; H433-D436 PolarHBondContact O-N 3.25Å; D436-Q438 VanDerWaalsContact C-N 3.33Å; D436-Q438 PolarHBondContact O-N 3.26Å; D436-K439 WeakPolarHBondContact O-CB 3.21Å; D436-K439 PolarHBondContact O-N 3.36Å; D436-K439 VanDerWaalsContact O-N 3.12Å; D436-Q440 VanDerWaalsContact CG-NE2 3.25Å; D436-Q440 WeakPolarHBondContact O-CG 3.21Å; D436-Q440 PolarHBondContact O-N 3.14Å; D436-Q440 PolarHBondContact OD1-NE2 3.08Å; D436-Q440 VanDerWaalsContact OD1-NE2 3.17Å; D436-Q440 PolarHBondContact OD2-NE2 3Å
437	V	91.8	Very high	90.8	Very high	7 Å²	7	55 Å²	55	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-44	176.2	171.4	0	0	0	0	111.3	H433 K439 Q440 H441 M481 Y486 F489	H433-V437 WeakPolarHBondContact O-CG2 3.24Å; H433-V437 PolarHBondContact O-N 3.39Å; V437-K439 VanDerWaalsContact C-N 3.3Å; V437-K439 PolarHBondContact O-N 2.92Å; V437-Q440 PolarHBondContact O-N 3.35Å; V437-H441 PolarHBondContact O-CD2 2.92Å; V437-H441 PolarHBondContact O-N 3.5Å; V437-M481 HydrophobicContact CG1-CE 4.2Å; V437-M481 HydrophobicContact CG1-SD 4.19Å; V437-Y486 HydrophobicContact CG1-CE1 4.03Å; V437-Y486 HydrophobicContact CG2-CE1 4.47Å; V437-F489 HydrophobicContact CG2-CE2 4.16Å; V437-F489 HydrophobicContact CG2-CZ 4.49Å
438	Q	91.8	Very high	90.5	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-34.1	178.4	-70.5	-179.4	148.9	0	0	112.8	L434 N435 D436 G442 L443 H444 N447	L434-Q438 HydrophobicContact CD1-CG 4.46Å; L434-Q438 WeakPolarHBondContact O-CB 3.39Å; L434-Q438 WeakPolarHBondContact O-CG 3.48Å; L434-Q438 PolarHBondContact O-N 3.49Å; L434-Q438 VanDerWaalsContact O-N 3.15Å; N435-Q438 PolarHBondContact O-N 3.47Å; D436-Q438 VanDerWaalsContact C-N 3.33Å; D436-Q438 PolarHBondContact O-N 3.26Å; Q438-G442 WeakPolarHBondContact O-CA 3.43Å; Q438-G442 PolarHBondContact O-N 3.15Å; Q438-L443 WeakPolarHBondContact CA-O 3.26Å; Q438-L443 PolarHBondContact O-N 3.28Å; Q438-H444 PolarHBondContact NE2-ND1 3.39Å; Q438-N447 PolarHBondContact NE2-OD1 2.88Å; Q438-N447 PolarHBondContact OE1-ND2 3.06Å; Q438-N447 PolarHBondContact OE1-OD1 2.81Å
439	K	91.6	Very high	90.3	Very high	112 Å²	112	59.3 Å²	59.3	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-71.2	-44	174.8	-78	174.7	159.5	-161.4	0	112.5	N435 D436 V437 H441 G442 D451	N435-K439 WeakPolarHBondContact O-CG 3.43Å; N435-K439 PolarHBondContact O-N 2.83Å; D436-K439 WeakPolarHBondContact O-CB 3.21Å; D436-K439 PolarHBondContact O-N 3.36Å; D436-K439 VanDerWaalsContact O-N 3.12Å; V437-K439 VanDerWaalsContact C-N 3.3Å; V437-K439 PolarHBondContact O-N 2.92Å; K439-H441 VanDerWaalsContact C-N 3.32Å; K439-H441 PolarHBondContact O-N 3.49Å; K439-G442 PolarHBondContact O-N 3.49Å; K439-D451 VanDerWaalsContact CE-CG 3.41Å; K439-D451 WeakPolarHBondContact CE-OD1 3.36Å; K439-D451 WeakPolarHBondContact CE-OD2 3.49Å; K439-D451 IonicContact NZ-OD1 3.1Å; K439-D451 PolarHBondContact NZ-OD1 2.78Å; K439-D451 IonicContact NZ-OD2 2.74Å; K439-D451 PolarHBondContact NZ-OD2 3.15Å
440	Q	89.9	Confident	90.2	Very high	133 Å²	133	56.9 Å²	56.9	62%	0.621	31%	0.306	S	S	*	.	H	α-helix	trans	-62	-42.1	-179.6	-72.4	175.4	11.9	0	0	111.4	D436 V437	D436-Q440 VanDerWaalsContact CG-NE2 3.25Å; D436-Q440 WeakPolarHBondContact O-CG 3.21Å; D436-Q440 PolarHBondContact O-N 3.14Å; D436-Q440 PolarHBondContact OD1-NE2 3.08Å; D436-Q440 VanDerWaalsContact OD1-NE2 3.17Å; D436-Q440 PolarHBondContact OD2-NE2 3Å; V437-Q440 PolarHBondContact O-N 3.35Å
441	H	86.4	Confident	90	Very high	108 Å²	108	59.4 Å²	59.4	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-88.4	-14.4	179.7	-64.8	-64.9	0	0	0	114.2	V437 K439 L443 Y486	V437-H441 PolarHBondContact O-CD2 2.92Å; V437-H441 PolarHBondContact O-N 3.5Å; K439-H441 VanDerWaalsContact C-N 3.32Å; K439-H441 PolarHBondContact O-N 3.49Å; H441-L443 PolarHBondContact O-N 3.06Å; H441-Y486 AromaticContact NE2-CZ 3.96Å; H441-Y486 PolarHBondContact NE2-OH 3.37Å
442	G	83.8	Confident	89.9	Confident	60 Å²	60	65.3 Å²	65.3	62%	0.619	35%	0.346	S	S	*	.	S	Bend	trans	69.7	8.2	-176.3	0	0	0	0	0	115	Q438 K439	Q438-G442 WeakPolarHBondContact O-CA 3.43Å; Q438-G442 PolarHBondContact O-N 3.15Å; K439-G442 PolarHBondContact O-N 3.49Å
443	L	84.1	Confident	89.8	Confident	137 Å²	137	60.9 Å²	60.9	72%	0.717	33%	0.329	S	S	*	.			trans	-118.9	132.8	-179.2	-67.9	171.8	0	0	0	110.7	Q438 H441	Q438-L443 WeakPolarHBondContact CA-O 3.26Å; Q438-L443 PolarHBondContact O-N 3.28Å; H441-L443 PolarHBondContact O-N 3.06Å
444	H	84.3	Confident	89.7	Confident	112 Å²	112	59.3 Å²	59.3	52%	0.519	32%	0.322	S	S	.	.			trans	-93.3	136.5	176.5	-77.8	-90.7	0	0	0	111.6	Q438 A446 I449	Q438-H444 PolarHBondContact NE2-ND1 3.39Å; H444-A446 PolarHBondContact O-N 3.29Å; H444-I449 PolarHBondContact CE1-O 3.49Å; H444-I449 VanDerWaalsContact CE1-O 3.23Å
445	A	82.1	Confident	89.5	Confident	31 Å²	31	65.1 Å²	65.1	26%	0.256	35%	0.345	S	S	.	.			trans	-79.4	56.1	175.4	0	0	0	0	0	111.5	N447 A477 M481	A445-N447 PolarHBondContact O-N 3.04Å; A445-N447 PolarHBondContact O-ND2 3.4Å; A445-A477 HydrophobicContact CB-CB 3.84Å; A445-M481 HydrophobicContact CB-CE 3.95Å
446	A	82	Confident	89.2	Confident	98 Å²	98	65 Å²	65	81%	0.81	34%	0.344	S	S	*	.	S	Bend	trans	49.9	26.2	180	0	0	0	0	0	115.5	H444	H444-A446 PolarHBondContact O-N 3.29Å
447	N	88.9	Confident	89	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.059	36%	0.361	C	S	.	.	S	Bend	trans	-116.8	171.2	174.8	66.8	70.6	0	0	0	110.6	Q438 A445 I449 V474	Q438-N447 PolarHBondContact NE2-OD1 2.88Å; Q438-N447 PolarHBondContact OE1-ND2 3.06Å; Q438-N447 PolarHBondContact OE1-OD1 2.81Å; A445-N447 PolarHBondContact O-N 3.04Å; A445-N447 PolarHBondContact O-ND2 3.4Å; N447-I449 VanDerWaalsContact OD1-CB 3.31Å; N447-I449 WeakPolarHBondContact OD1-CB 3.25Å; N447-I449 WeakPolarHBondContact OD1-CG1 3.2Å; N447-I449 PolarHBondContact OD1-N 3.11Å; N447-V474 HydrophobicContact CB-CG2 4.18Å
448	K	89.7	Confident	88.7	Confident	141 Å²	141	75.8 Å²	75.8	61%	0.613	40%	0.397	S	S	*	.			trans	-103.9	11.7	-176.2	-62.1	-176.8	179.2	-179.4	0	113.5	S450 H453 Q468	K448-S450 PolarHBondContact O-N 3.18Å; K448-H453 PolarHBondContact O-CE1 3.01Å; K448-H453 PolarHBondContact O-ND1 3.46Å; K448-Q468 HydrophobicContact CB-CB 4.34Å; K448-Q468 HydrophobicContact CB-CG 4.21Å; K448-Q468 HydrophobicContact CD-CG 4.05Å
449	I	92.8	Very high	88.4	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	41%	0.408	C	S	.	.			trans	-64.1	136.8	-176.6	-62.4	-62.5	0	0	0	110.1	I431 L434 N435 H444 N447 H453 V454 V474	I431-I449 HydrophobicContact CG2-CD1 4.48Å; L434-I449 HydrophobicContact CD2-CG1 4.47Å; N435-I449 HydrophobicContact CB-CG2 3.81Å; H444-I449 PolarHBondContact CE1-O 3.49Å; H444-I449 VanDerWaalsContact CE1-O 3.23Å; N447-I449 VanDerWaalsContact OD1-CB 3.31Å; N447-I449 WeakPolarHBondContact OD1-CB 3.25Å; N447-I449 WeakPolarHBondContact OD1-CG1 3.2Å; N447-I449 PolarHBondContact OD1-N 3.11Å; I449-H453 HydrophobicContact CD1-CB 4.1Å; I449-H453 HydrophobicContact CG2-CB 4.44Å; I449-V454 HydrophobicContact CG2-CG2 4.31Å; I449-V474 HydrophobicContact CD1-CG2 3.75Å; I449-V474 HydrophobicContact CG1-CG2 3.65Å
450	S	91.7	Very high	88.1	Confident	39 Å²	39	77.7 Å²	77.7	27%	0.273	41%	0.406	S	S	.	.			trans	-149.2	178.1	177.8	70.9	0	0	0	0	109.1	N435 K448 K452 H453 V454	N435-S450 VanDerWaalsContact OD1-C 3.32Å; N435-S450 VanDerWaalsContact OD1-CA 3.3Å; N435-S450 WeakPolarHBondContact OD1-CA 3.46Å; K448-S450 PolarHBondContact O-N 3.18Å; S450-K452 PolarHBondContact O-N 2.92Å; S450-K452 VanDerWaalsContact O-N 3.15Å; S450-K452 PolarHBondContact OG-N 3.1Å; S450-H453 PolarHBondContact N-ND1 3.48Å; S450-H453 WeakPolarHBondContact O-CA 3.36Å; S450-H453 VanDerWaalsContact O-CB 3.27Å; S450-H453 WeakPolarHBondContact O-CB 3.24Å; S450-H453 PolarHBondContact O-N 3.06Å; S450-H453 PolarHBondContact OG-ND1 2.99Å; S450-V454 PolarHBondContact O-N 3.41Å
451	D	92.3	Very high	87.8	Confident	65 Å²	65	78 Å²	78	35%	0.348	41%	0.409	S	S	.	.	H	α-helix	trans	-55.2	-38.1	174.5	-68.8	-24.3	0	0	0	114	N435 K439 H453 V454 Y455	N435-D451 PolarHBondContact ND2-OD1 2.94Å; K439-D451 VanDerWaalsContact CE-CG 3.41Å; K439-D451 WeakPolarHBondContact CE-OD1 3.36Å; K439-D451 WeakPolarHBondContact CE-OD2 3.49Å; K439-D451 IonicContact NZ-OD1 3.1Å; K439-D451 PolarHBondContact NZ-OD1 2.78Å; K439-D451 IonicContact NZ-OD2 2.74Å; K439-D451 PolarHBondContact NZ-OD2 3.15Å; D451-H453 PolarHBondContact O-N 3.04Å; D451-H453 VanDerWaalsContact O-N 3.15Å; D451-V454 PolarHBondContact O-N 3.03Å; D451-V454 VanDerWaalsContact O-N 3.15Å; D451-Y455 HydrophobicContact CB-CD2 4.24Å; D451-Y455 PolarHBondContact O-N 3.33Å
452	K	92.9	Very high	87.8	Confident	123 Å²	123	79.1 Å²	79.1	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-26.6	175.4	-61.2	-179.7	-176.9	173.1	0	113.3	S450 F456 L465	S450-K452 PolarHBondContact O-N 2.92Å; S450-K452 VanDerWaalsContact O-N 3.15Å; S450-K452 PolarHBondContact OG-N 3.1Å; K452-F456 WeakPolarHBondContact O-CA 3.32Å; K452-F456 WeakPolarHBondContact O-CB 3.46Å; K452-L465 HydrophobicContact CB-CD2 4.39Å
453	H	93.1	Very high	88	Confident	6 Å²	6	78.2 Å²	78.2	3%	0.028	39%	0.391	C	S	.	.	H	α-helix	trans	-83.5	-35.3	178.1	-66.9	88.7	0	0	0	112.5	K448 I449 S450 D451 F456 L465 Q468 T469	K448-H453 PolarHBondContact O-CE1 3.01Å; K448-H453 PolarHBondContact O-ND1 3.46Å; I449-H453 HydrophobicContact CD1-CB 4.1Å; I449-H453 HydrophobicContact CG2-CB 4.44Å; S450-H453 PolarHBondContact N-ND1 3.48Å; S450-H453 WeakPolarHBondContact O-CA 3.36Å; S450-H453 VanDerWaalsContact O-CB 3.27Å; S450-H453 WeakPolarHBondContact O-CB 3.24Å; S450-H453 PolarHBondContact O-N 3.06Å; S450-H453 PolarHBondContact OG-ND1 2.99Å; D451-H453 PolarHBondContact O-N 3.04Å; D451-H453 VanDerWaalsContact O-N 3.15Å; H453-F456 WeakPolarHBondContact O-CD1 3.4Å; H453-L465 PolarHBondContact CD2-O 2.84Å; H453-L465 VanDerWaalsContact NE2-CD2 3.33Å; H453-L465 WeakPolarHBondContact NE2-CD2 3.31Å; H453-Q468 PolarHBondContact CE1-OE1 2.94Å; H453-Q468 WeakPolarHBondContact NE2-CB 3.16Å; H453-Q468 PolarHBondContact NE2-OE1 3.09Å; H453-T469 PolarHBondContact CD2-OG1 3.12Å
454	V	91.4	Very high	88.4	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.018	38%	0.379	C	S	.	.	H	α-helix	trans	-79.3	-48	-179.5	-179.6	0	0	0	0	110.4	I431 Y432 N435 I449 S450 D451 F456	I431-V454 HydrophobicContact CG2-CG2 4.38Å; Y432-V454 HydrophobicContact CD2-CG1 3.88Å; N435-V454 HydrophobicContact CB-CG2 3.67Å; I449-V454 HydrophobicContact CG2-CG2 4.31Å; S450-V454 PolarHBondContact O-N 3.41Å; D451-V454 PolarHBondContact O-N 3.03Å; D451-V454 VanDerWaalsContact O-N 3.15Å; V454-F456 PolarHBondContact O-N 3.2Å
455	Y	91.3	Very high	88.8	Confident	123 Å²	123	70 Å²	70	48%	0.482	36%	0.357	S	S	.	.	S	Bend	trans	-102.2	60.3	179.7	-54.2	-72.6	0	0	0	110.4	Y432 D451 E457	Y432-Y455 WeakPolarHBondContact CE2-OH 3.08Å; D451-Y455 HydrophobicContact CB-CD2 4.24Å; D451-Y455 PolarHBondContact O-N 3.33Å; Y455-E457 VanDerWaalsContact C-N 3.28Å; Y455-E457 PolarHBondContact O-N 3.11Å
456	F	89.2	Confident	89.4	Confident	3 Å²	3	68.5 Å²	68.5	1%	0.013	35%	0.345	C	S	.	.			trans	-82.7	5.5	-170.9	66.4	-97.1	0	0	0	114.3	R410 N411 Q414 W428 K452 H453 V454 N458 H459 K460	R410-F456 HydrophobicContact CG-CE1 4.05Å; R410-F456 HydrophobicContact CG-CZ 4.12Å; R410-F456 VanDerWaalsContact CZ-CD2 3.44Å; R410-F456 VanDerWaalsContact NE-CE2 3.26Å; N411-F456 WeakPolarHBondContact OD1-CE2 3.38Å; Q414-F456 HydrophobicContact CB-CE1 4.19Å; Q414-F456 HydrophobicContact CB-CZ 4.1Å; Q414-F456 HydrophobicContact CG-CE1 4.33Å; Q414-F456 HydrophobicContact CG-CZ 4.45Å; W428-F456 AromaticContact CH2-CD1 3.97Å; W428-F456 HydrophobicContact CH2-CD1 3.97Å; W428-F456 AromaticContact CH2-CE1 3.51Å; W428-F456 HydrophobicContact CH2-CE1 3.51Å; W428-F456 AromaticContact CZ2-CD1 3.87Å; W428-F456 HydrophobicContact CZ2-CD1 3.87Å; W428-F456 AromaticContact CZ2-CE1 3.52Å; W428-F456 HydrophobicContact CZ2-CE1 3.52Å; W428-F456 HydrophobicContact CZ3-CE1 4.43Å; K452-F456 WeakPolarHBondContact O-CA 3.32Å; K452-F456 WeakPolarHBondContact O-CB 3.46Å; H453-F456 WeakPolarHBondContact O-CD1 3.4Å; V454-F456 PolarHBondContact O-N 3.2Å; F456-N458 VanDerWaalsContact C-N 3.35Å; F456-N458 PolarHBondContact O-N 2.81Å; F456-H459 CarbonylContact O-C 3.48Å; F456-H459 VanDerWaalsContact O-CA 3.3Å; F456-H459 WeakPolarHBondContact O-CA 3.48Å; F456-H459 PolarHBondContact O-N 3.15Å; F456-K460 WeakPolarHBondContact O-CA 3.04Å; F456-K460 PolarHBondContact O-N 3.47Å
457	E	88.1	Confident	89.9	Confident	132 Å²	132	65.2 Å²	65.2	62%	0.617	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-53.5	-47.8	-173.4	-71.1	155.3	-173.8	0	0	112.6	Y455 H459 K460	Y455-E457 VanDerWaalsContact C-N 3.28Å; Y455-E457 PolarHBondContact O-N 3.11Å; E457-H459 PolarHBondContact O-N 2.95Å; E457-K460 PolarHBondContact O-N 3.31Å
458	N	85.4	Confident	90.2	Very high	151 Å²	151	67.3 Å²	67.3	81%	0.807	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.3	176	-66.4	-29.2	0	0	0	113.8	F456	F456-N458 VanDerWaalsContact C-N 3.35Å; F456-N458 PolarHBondContact O-N 2.81Å
459	H	86.4	Confident	90.5	Very high	55 Å²	55	60.6 Å²	60.6	26%	0.255	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-126.5	24.6	-177.2	-58.5	98	0	0	0	112.2	F456 E457 M461 R462 L465	F456-H459 CarbonylContact O-C 3.48Å; F456-H459 VanDerWaalsContact O-CA 3.3Å; F456-H459 WeakPolarHBondContact O-CA 3.48Å; F456-H459 PolarHBondContact O-N 3.15Å; E457-H459 PolarHBondContact O-N 2.95Å; H459-M461 PolarHBondContact O-N 2.95Å; H459-M461 VanDerWaalsContact O-N 3.07Å; H459-R462 HydrophobicContact CB-CG 4.31Å; H459-R462 WeakPolarHBondContact O-CB 3.36Å; H459-R462 PolarHBondContact O-N 3.21Å; H459-L465 HydrophobicContact CB-CD1 3.44Å; H459-L465 VanDerWaalsContact CB-CD1 3.44Å
460	K	84.9	Confident	90.7	Very high	100 Å²	100	60.7 Å²	60.7	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.1	-173.4	-173.8	179.7	176.4	-173	0	113	R410 N411 F456 E457	R410-K460 PolarHBondContact NH2-O 2.65Å; N411-K460 WeakPolarHBondContact ND2-CE 3.26Å; F456-K460 WeakPolarHBondContact O-CA 3.04Å; F456-K460 PolarHBondContact O-N 3.47Å; E457-K460 PolarHBondContact O-N 3.31Å
461	M	84	Confident	90.9	Very high	139 Å²	139	59.6 Å²	59.6	69%	0.685	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.8	-179.8	-61.8	-54.7	-76.1	0	0	114.2	K407 H459 V463	K407-M461 WeakPolarHBondContact CD-O 3.48Å; H459-M461 PolarHBondContact O-N 2.95Å; H459-M461 VanDerWaalsContact O-N 3.07Å; M461-V463 PolarHBondContact O-N 3.42Å; M461-V463 VanDerWaalsContact O-N 3.15Å
462	R	86.3	Confident	91	Very high	133 Å²	133	63.4 Å²	63.4	50%	0.502	30%	0.3	S	S	.	.			trans	-74.5	108.1	-179.5	-67.8	-167.5	176.2	-175.9	0.8	111.1	H459 S464 L465	H459-R462 HydrophobicContact CB-CG 4.31Å; H459-R462 WeakPolarHBondContact O-CB 3.36Å; H459-R462 PolarHBondContact O-N 3.21Å; R462-S464 VanDerWaalsContact C-N 3.3Å; R462-S464 PolarHBondContact O-N 3.31Å; R462-L465 HydrophobicContact CB-CB 4.42Å; R462-L465 HydrophobicContact CB-CD1 3.98Å; R462-L465 HydrophobicContact CB-CG 3.99Å; R462-L465 PolarHBondContact O-N 2.95Å
463	V	87.4	Confident	91.1	Very high	40 Å²	40	59.6 Å²	59.6	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-38.5	176.3	-179.3	0	0	0	0	111.2	C403 K407 M461 L465 A466 A467	C403-V463 HydrophobicContact CB-CG1 3.85Å; C403-V463 HydrophobicContact CB-CG2 4.2Å; K407-V463 HydrophobicContact CD-CG2 3.65Å; K407-V463 HydrophobicContact CG-CG2 4.12Å; M461-V463 PolarHBondContact O-N 3.42Å; M461-V463 VanDerWaalsContact O-N 3.15Å; V463-L465 VanDerWaalsContact C-N 3.28Å; V463-L465 PolarHBondContact O-N 3.44Å; V463-A466 WeakPolarHBondContact O-CB 3.43Å; V463-A466 PolarHBondContact O-N 3.47Å; V463-A467 PolarHBondContact O-N 3.17Å
464	S	91.5	Very high	91.3	Very high	66 Å²	66	59.3 Å²	59.3	46%	0.462	29%	0.288	S	S	.	.	H	α-helix	trans	-58.3	-38.5	-179.5	57.6	0	0	0	0	113	R462 Q468	R462-S464 VanDerWaalsContact C-N 3.3Å; R462-S464 PolarHBondContact O-N 3.31Å; S464-Q468 WeakPolarHBondContact O-CB 3.34Å; S464-Q468 WeakPolarHBondContact O-CG 3.25Å; S464-Q468 PolarHBondContact O-N 3.03Å
465	L	93.3	Very high	91.5	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-42.3	175.2	-62.6	179.4	0	0	0	111	K452 H453 H459 R462 V463 Q468 T469	K452-L465 HydrophobicContact CB-CD2 4.39Å; H453-L465 PolarHBondContact CD2-O 2.84Å; H453-L465 VanDerWaalsContact NE2-CD2 3.33Å; H453-L465 WeakPolarHBondContact NE2-CD2 3.31Å; H459-L465 HydrophobicContact CB-CD1 3.44Å; H459-L465 VanDerWaalsContact CB-CD1 3.44Å; R462-L465 HydrophobicContact CB-CB 4.42Å; R462-L465 HydrophobicContact CB-CD1 3.98Å; R462-L465 HydrophobicContact CB-CG 3.99Å; R462-L465 PolarHBondContact O-N 2.95Å; V463-L465 VanDerWaalsContact C-N 3.28Å; V463-L465 PolarHBondContact O-N 3.44Å; L465-Q468 PolarHBondContact O-N 3.44Å; L465-T469 WeakPolarHBondContact O-CB 3.39Å; L465-T469 PolarHBondContact O-N 3.31Å; L465-T469 PolarHBondContact O-OG1 3.14Å
466	A	94.2	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-46.1	176.8	0	0	0	0	0	112.4	L406 K407 R410 V463 Q468 T469 L470	L406-A466 HydrophobicContact CG-CB 4.31Å; K407-A466 HydrophobicContact CG-CB 4.21Å; R410-A466 HydrophobicContact CB-CB 4.26Å; V463-A466 WeakPolarHBondContact O-CB 3.43Å; V463-A466 PolarHBondContact O-N 3.47Å; A466-Q468 VanDerWaalsContact C-N 3.34Å; A466-Q468 PolarHBondContact O-N 3.38Å; A466-T469 PolarHBondContact O-N 3.15Å; A466-L470 PolarHBondContact O-N 3.32Å
467	A	94.1	Very high	92.1	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-37	178.1	0	0	0	0	0	112.8	L406 V463 L470 S471 F506	L406-A467 HydrophobicContact CD2-CB 3.72Å; V463-A467 PolarHBondContact O-N 3.17Å; A467-L470 CarbonylContact O-C 3.05Å; A467-S471 WeakPolarHBondContact O-CB 3.23Å; A467-S471 PolarHBondContact O-N 3.25Å; A467-F506 HydrophobicContact CB-CE1 4.44Å
468	Q	95.3	Very high	92.5	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-71.9	-39.7	176.6	-72.5	171.8	22.2	0	0	112	K448 H453 S464 L465 A466 S471 V474	K448-Q468 HydrophobicContact CB-CB 4.34Å; K448-Q468 HydrophobicContact CB-CG 4.21Å; K448-Q468 HydrophobicContact CD-CG 4.05Å; H453-Q468 PolarHBondContact CE1-OE1 2.94Å; H453-Q468 WeakPolarHBondContact NE2-CB 3.16Å; H453-Q468 PolarHBondContact NE2-OE1 3.09Å; S464-Q468 WeakPolarHBondContact O-CB 3.34Å; S464-Q468 WeakPolarHBondContact O-CG 3.25Å; S464-Q468 PolarHBondContact O-N 3.03Å; L465-Q468 PolarHBondContact O-N 3.44Å; A466-Q468 VanDerWaalsContact C-N 3.34Å; A466-Q468 PolarHBondContact O-N 3.38Å; Q468-S471 WeakPolarHBondContact O-CB 3.42Å; Q468-S471 PolarHBondContact O-OG 3.26Å; Q468-V474 WeakPolarHBondContact O-CG2 3.09Å
469	T	95.4	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-45.4	175.7	-60.9	0	0	0	0	112.4	W428 I431 H453 L465 A466 S471	W428-T469 HydrophobicContact CH2-CG2 3.74Å; W428-T469 HydrophobicContact CZ3-CG2 3.93Å; I431-T469 HydrophobicContact CD1-CG2 3.87Å; I431-T469 HydrophobicContact CG2-CG2 4.29Å; H453-T469 PolarHBondContact CD2-OG1 3.12Å; L465-T469 WeakPolarHBondContact O-CB 3.39Å; L465-T469 PolarHBondContact O-N 3.31Å; L465-T469 PolarHBondContact O-OG1 3.14Å; A466-T469 PolarHBondContact O-N 3.15Å; T469-S471 VanDerWaalsContact C-N 3.29Å; T469-S471 PolarHBondContact O-N 2.72Å
470	L	95.9	Very high	93.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	46.7	-178.4	-59.4	177.3	0	0	0	110.9	L406 T409 R410 L413 A466 A467 I499 I502 D503	L406-L470 HydrophobicContact CD1-CB 4.18Å; L406-L470 HydrophobicContact CD1-CD1 3.81Å; L406-L470 HydrophobicContact CG-CD1 4.49Å; T409-L470 HydrophobicContact CG2-CD1 4.15Å; R410-L470 HydrophobicContact CB-CD1 3.98Å; L413-L470 HydrophobicContact CD2-CD2 4.05Å; A466-L470 PolarHBondContact O-N 3.32Å; A467-L470 CarbonylContact O-C 3.05Å; L470-I499 HydrophobicContact CD2-CG1 4.13Å; L470-I502 HydrophobicContact CB-CG2 4.43Å; L470-I502 HydrophobicContact CD1-CG2 4.15Å; L470-D503 WeakPolarHBondContact O-CB 3.46Å
471	S	96	Very high	93.7	Very high	15 Å²	15	41.8 Å²	41.8	11%	0.105	21%	0.214	C	C	.	.	S	Bend	trans	-105	155.1	-178.4	67.4	0	0	0	0	113.3	A467 Q468 T469 S473 V474 S475 I499 D503	A467-S471 WeakPolarHBondContact O-CB 3.23Å; A467-S471 PolarHBondContact O-N 3.25Å; Q468-S471 WeakPolarHBondContact O-CB 3.42Å; Q468-S471 PolarHBondContact O-OG 3.26Å; T469-S471 VanDerWaalsContact C-N 3.29Å; T469-S471 PolarHBondContact O-N 2.72Å; S471-S473 PolarHBondContact O-N 3.09Å; S471-S473 VanDerWaalsContact O-N 3.17Å; S471-S473 PolarHBondContact OG-OG 3.48Å; S471-V474 WeakPolarHBondContact O-CB 3.23Å; S471-V474 PolarHBondContact O-N 3.18Å; S471-S475 PolarHBondContact O-N 3.48Å; S471-I499 WeakPolarHBondContact O-CG2 3.47Å; S471-D503 VanDerWaalsContact CA-OD1 3.22Å; S471-D503 WeakPolarHBondContact CA-OD1 3.42Å
472	R	95.2	Very high	94.2	Very high	145 Å²	145	38.7 Å²	38.7	55%	0.547	19%	0.194	S	C	.	.	H	α-helix	trans	-53.6	-35.7	171.1	-178.6	175.9	179.4	-166.9	-1.7	113	V474 S475 V476 D503	R472-V474 VanDerWaalsContact C-N 3.26Å; R472-V474 PolarHBondContact O-N 3.13Å; R472-S475 WeakPolarHBondContact O-CB 3.31Å; R472-S475 PolarHBondContact O-N 3.28Å; R472-V476 HydrophobicContact CG-CG2 4.25Å; R472-V476 WeakPolarHBondContact O-CG2 3.06Å; R472-V476 PolarHBondContact O-N 2.9Å; R472-D503 WeakPolarHBondContact CB-OD2 3.44Å; R472-D503 PolarHBondContact N-OD1 2.86Å
473	S	95.5	Very high	94.6	Very high	44 Å²	44	37.8 Å²	37.8	31%	0.308	20%	0.199	S	C	.	.	H	α-helix	trans	-60	-36.3	178.1	69.6	0	0	0	0	112.5	S471 A477	S471-S473 PolarHBondContact O-N 3.09Å; S471-S473 VanDerWaalsContact O-N 3.17Å; S471-S473 PolarHBondContact OG-OG 3.48Å; S473-A477 WeakPolarHBondContact O-CB 3.39Å; S473-A477 PolarHBondContact O-N 3.48Å
474	V	96.3	Very high	94.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.1	-43.7	176.4	176.8	0	0	0	0	110.4	L434 N447 I449 Q468 S471 R472 V476 A477 L478 I499	L434-V474 HydrophobicContact CD2-CG1 4.06Å; N447-V474 HydrophobicContact CB-CG2 4.18Å; I449-V474 HydrophobicContact CD1-CG2 3.75Å; I449-V474 HydrophobicContact CG1-CG2 3.65Å; Q468-V474 WeakPolarHBondContact O-CG2 3.09Å; S471-V474 WeakPolarHBondContact O-CB 3.23Å; S471-V474 PolarHBondContact O-N 3.18Å; R472-V474 VanDerWaalsContact C-N 3.26Å; R472-V474 PolarHBondContact O-N 3.13Å; V474-V476 VanDerWaalsContact C-N 3.34Å; V474-V476 PolarHBondContact O-N 3.43Å; V474-A477 PolarHBondContact O-N 3.01Å; V474-L478 HydrophobicContact CG1-CG 4.42Å; V474-L478 WeakPolarHBondContact O-CG 3.39Å; V474-L478 PolarHBondContact O-N 3.26Å; V474-I499 HydrophobicContact CG1-CD1 3.97Å
475	S	96.5	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-46.9	175	176	0	0	0	0	112.1	S471 R472 L478 R479 A496	S471-S475 PolarHBondContact O-N 3.48Å; R472-S475 WeakPolarHBondContact O-CB 3.31Å; R472-S475 PolarHBondContact O-N 3.28Å; S475-L478 PolarHBondContact O-N 3.03Å; S475-R479 PolarHBondContact O-N 3.11Å; S475-R479 VanDerWaalsContact O-N 3.16Å; S475-R479 PolarHBondContact OG-NH1 3.4Å; S475-A496 WeakPolarHBondContact CB-O 3.16Å; S475-A496 PolarHBondContact OG-O 3.38Å
476	V	96.4	Very high	94.8	Very high	67 Å²	67	44.4 Å²	44.4	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-42.6	176	174.1	0	0	0	0	111.2	R472 V474 L478 R479 T480	R472-V476 HydrophobicContact CG-CG2 4.25Å; R472-V476 WeakPolarHBondContact O-CG2 3.06Å; R472-V476 PolarHBondContact O-N 2.9Å; V474-V476 VanDerWaalsContact C-N 3.34Å; V474-V476 PolarHBondContact O-N 3.43Å; V476-L478 PolarHBondContact O-N 3.26Å; V476-R479 PolarHBondContact O-N 2.73Å; V476-T480 WeakPolarHBondContact O-CB 3.46Å; V476-T480 PolarHBondContact O-N 2.94Å; V476-T480 PolarHBondContact O-OG1 3.38Å
477	A	95.7	Very high	94.6	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-43.2	177.3	0	0	0	0	0	112.1	L434 A445 S473 V474 R479 T480 M481	L434-A477 HydrophobicContact CD1-CB 4.11Å; L434-A477 HydrophobicContact CD2-CB 4.02Å; A445-A477 HydrophobicContact CB-CB 3.84Å; S473-A477 WeakPolarHBondContact O-CB 3.39Å; S473-A477 PolarHBondContact O-N 3.48Å; V474-A477 PolarHBondContact O-N 3.01Å; A477-R479 PolarHBondContact O-N 3.12Å; A477-T480 PolarHBondContact O-N 3.48Å; A477-M481 WeakPolarHBondContact O-CG 3.31Å; A477-M481 PolarHBondContact O-N 3.19Å
478	L	95.8	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-46.7	176.7	-67.7	-177.4	0	0	0	111.8	L434 V474 S475 V476 T480 M481 R482 F489 C492 T495 A496 I499	L434-L478 HydrophobicContact CB-CD2 4.16Å; L434-L478 HydrophobicContact CD2-CD2 4.11Å; V474-L478 HydrophobicContact CG1-CG 4.42Å; V474-L478 WeakPolarHBondContact O-CG 3.39Å; V474-L478 PolarHBondContact O-N 3.26Å; S475-L478 PolarHBondContact O-N 3.03Å; V476-L478 PolarHBondContact O-N 3.26Å; L478-T480 VanDerWaalsContact C-N 3.33Å; L478-T480 PolarHBondContact O-N 2.89Å; L478-M481 PolarHBondContact O-N 2.89Å; L478-R482 PolarHBondContact O-N 3.21Å; L478-R482 VanDerWaalsContact O-N 3.12Å; L478-F489 HydrophobicContact CD2-CD1 3.9Å; L478-F489 HydrophobicContact CD2-CE1 3.65Å; L478-C492 PolarHBondContact O-SG 3.07Å; L478-C492 VanDerWaalsContact O-SG 3.41Å; L478-T495 HydrophobicContact CD1-CG2 4.06Å; L478-A496 HydrophobicContact CB-CB 4.28Å; L478-I499 HydrophobicContact CD1-CD1 3.97Å
479	R	96	Very high	94.6	Very high	53 Å²	53	49.3 Å²	49.3	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-40.4	176.2	-69	-178.3	-179.5	131.4	-2.6	112	S475 V476 A477 M481 R482 D483 E493 A496 E500	S475-R479 PolarHBondContact O-N 3.11Å; S475-R479 VanDerWaalsContact O-N 3.16Å; S475-R479 PolarHBondContact OG-NH1 3.4Å; V476-R479 PolarHBondContact O-N 2.73Å; A477-R479 PolarHBondContact O-N 3.12Å; R479-M481 PolarHBondContact O-N 3.42Å; R479-R482 WeakPolarHBondContact O-CB 3.44Å; R479-R482 PolarHBondContact O-N 3.12Å; R479-D483 WeakPolarHBondContact O-CB 3.37Å; R479-D483 PolarHBondContact O-N 2.93Å; R479-E493 IonicContact CZ-OE1 2.66Å; R479-E493 IonicContact NE-OE1 3.18Å; R479-E493 PolarHBondContact NE-OE1 2.98Å; R479-E493 VanDerWaalsContact NE-OE1 3.1Å; R479-E493 IonicContact NE-OE2 3.56Å; R479-E493 PolarHBondContact NE-OE2 3.22Å; R479-E493 VanDerWaalsContact NE-OE2 3.12Å; R479-E493 IonicContact NH2-OE1 2.72Å; R479-E493 PolarHBondContact NH2-OE1 3.15Å; R479-A496 HydrophobicContact CG-CB 3.91Å; R479-E500 IonicContact CZ-OE2 3.71Å; R479-E500 IonicContact NH1-OE2 3.61Å; R479-E500 PolarHBondContact NH1-OE2 3.05Å; R479-E500 IonicContact NH2-OE2 3.13Å; R479-E500 PolarHBondContact NH2-OE2 3.18Å; R479-E500 VanDerWaalsContact NH2-OE2 3.14Å
480	T	94.4	Very high	94.3	Very high	61 Å²	61	56.9 Å²	56.9	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.8	-52.5	0	0	0	0	111.2	V476 A477 L478 R482 D483 L484	V476-T480 WeakPolarHBondContact O-CB 3.46Å; V476-T480 PolarHBondContact O-N 2.94Å; V476-T480 PolarHBondContact O-OG1 3.38Å; A477-T480 PolarHBondContact O-N 3.48Å; L478-T480 VanDerWaalsContact C-N 3.33Å; L478-T480 PolarHBondContact O-N 2.89Å; T480-R482 VanDerWaalsContact C-N 3.31Å; T480-R482 PolarHBondContact O-N 3.45Å; T480-D483 PolarHBondContact O-N 3.48Å; T480-L484 HydrophobicContact CG2-CD1 4.08Å; T480-L484 HydrophobicContact CG2-CG 4.37Å; T480-L484 WeakPolarHBondContact O-CB 3.35Å; T480-L484 VanDerWaalsContact O-CG 3.27Å; T480-L484 WeakPolarHBondContact O-CG 3.42Å; T480-L484 PolarHBondContact O-N 2.88Å
481	M	93.1	Very high	94.1	Very high	16 Å²	16	62.3 Å²	62.3	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-37.1	177.1	-66	-58.5	171.7	0	0	112.4	L434 V437 A445 A477 L478 R479 G485 Y486 F489	L434-M481 HydrophobicContact CD1-CE 3.92Å; L434-M481 HydrophobicContact CD1-CG 4.04Å; V437-M481 HydrophobicContact CG1-CE 4.2Å; V437-M481 HydrophobicContact CG1-SD 4.19Å; A445-M481 HydrophobicContact CB-CE 3.95Å; A477-M481 WeakPolarHBondContact O-CG 3.31Å; A477-M481 PolarHBondContact O-N 3.19Å; L478-M481 PolarHBondContact O-N 2.89Å; R479-M481 PolarHBondContact O-N 3.42Å; M481-G485 PolarHBondContact O-N 3.34Å; M481-Y486 HydrophobicContact CB-CD2 4.46Å; M481-Y486 WeakPolarHBondContact O-CB 3.45Å; M481-Y486 WeakPolarHBondContact O-CD2 3.32Å; M481-Y486 PolarHBondContact O-N 3.47Å; M481-Y486 VanDerWaalsContact O-N 3.15Å; M481-Y486 HydrophobicContact SD-CD2 4.07Å; M481-Y486 HydrophobicContact SD-CE2 3.97Å; M481-F489 HydrophobicContact CB-CB 4.14Å; M481-F489 HydrophobicContact CB-CD1 3.89Å; M481-F489 HydrophobicContact CB-CD2 3.65Å; M481-F489 HydrophobicContact CB-CE1 4.17Å; M481-F489 HydrophobicContact CB-CE2 3.93Å; M481-F489 HydrophobicContact CB-CG 3.61Å; M481-F489 HydrophobicContact CB-CZ 4.17Å; M481-F489 HydrophobicContact CG-CD2 4.46Å; M481-F489 HydrophobicContact CG-CE1 4.36Å; M481-F489 HydrophobicContact CG-CE2 4.25Å; M481-F489 HydrophobicContact CG-CZ 4.18Å
482	R	94.6	Very high	94.1	Very high	73 Å²	73	61.6 Å²	61.6	28%	0.275	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-48.6	171.3	178.9	-160.5	66.3	-156.9	-5.9	111.2	L478 R479 T480 L484 G485 F489 E493	L478-R482 PolarHBondContact O-N 3.21Å; L478-R482 VanDerWaalsContact O-N 3.12Å; R479-R482 WeakPolarHBondContact O-CB 3.44Å; R479-R482 PolarHBondContact O-N 3.12Å; T480-R482 VanDerWaalsContact C-N 3.31Å; T480-R482 PolarHBondContact O-N 3.45Å; R482-L484 VanDerWaalsContact C-N 3.26Å; R482-L484 PolarHBondContact O-N 3.48Å; R482-G485 WeakPolarHBondContact O-CA 3.14Å; R482-G485 PolarHBondContact O-N 3.16Å; R482-F489 HydrophobicContact CB-CB 4.21Å; R482-E493 IonicContact CZ-OE2 3.48Å; R482-E493 IonicContact NH1-OE2 2.97Å; R482-E493 PolarHBondContact NH1-OE2 3.32Å
483	D	94.3	Very high	94.1	Very high	114 Å²	114	58 Å²	58	61%	0.61	32%	0.316	S	S	*	.	H	α-helix	trans	-68.2	-27.8	-175.7	-60.4	-15.3	0	0	0	112	R479 T480 G485	R479-D483 WeakPolarHBondContact O-CB 3.37Å; R479-D483 PolarHBondContact O-N 2.93Å; T480-D483 PolarHBondContact O-N 3.48Å; D483-G485 PolarHBondContact O-N 3.25Å
484	L	92.3	Very high	94.1	Very high	117 Å²	117	56.3 Å²	56.3	61%	0.613	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.6	169.9	-70.1	174.3	0	0	0	113.9	T480 R482 Y486	T480-L484 HydrophobicContact CG2-CD1 4.08Å; T480-L484 HydrophobicContact CG2-CG 4.37Å; T480-L484 WeakPolarHBondContact O-CB 3.35Å; T480-L484 VanDerWaalsContact O-CG 3.27Å; T480-L484 WeakPolarHBondContact O-CG 3.42Å; T480-L484 PolarHBondContact O-N 2.88Å; R482-L484 VanDerWaalsContact C-N 3.26Å; R482-L484 PolarHBondContact O-N 3.48Å; L484-Y486 HydrophobicContact CB-CD2 3.95Å; L484-Y486 HydrophobicContact CB-CE2 4.05Å; L484-Y486 HydrophobicContact CD1-CE2 4.3Å
485	G	91.9	Very high	94.1	Very high	62 Å²	62	56.3 Å²	56.3	64%	0.639	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	15.5	174.5	0	0	0	0	0	115.6	M481 R482 D483 S487	M481-G485 PolarHBondContact O-N 3.34Å; R482-G485 WeakPolarHBondContact O-CA 3.14Å; R482-G485 PolarHBondContact O-N 3.16Å; D483-G485 PolarHBondContact O-N 3.25Å; G485-S487 PolarHBondContact O-N 3.41Å
486	Y	91.8	Very high	94.1	Very high	78 Å²	78	56.3 Å²	56.3	31%	0.306	30%	0.304	S	S	.	.			trans	-67.6	116.4	174.4	-74.5	-96.2	0	0	0	110.5	V437 H441 M481 L484 L488 F489	V437-Y486 HydrophobicContact CG1-CE1 4.03Å; V437-Y486 HydrophobicContact CG2-CE1 4.47Å; H441-Y486 AromaticContact NE2-CZ 3.96Å; H441-Y486 PolarHBondContact NE2-OH 3.37Å; M481-Y486 HydrophobicContact CB-CD2 4.46Å; M481-Y486 WeakPolarHBondContact O-CB 3.45Å; M481-Y486 WeakPolarHBondContact O-CD2 3.32Å; M481-Y486 PolarHBondContact O-N 3.47Å; M481-Y486 VanDerWaalsContact O-N 3.15Å; M481-Y486 HydrophobicContact SD-CD2 4.07Å; M481-Y486 HydrophobicContact SD-CE2 3.97Å; L484-Y486 HydrophobicContact CB-CD2 3.95Å; L484-Y486 HydrophobicContact CB-CE2 4.05Å; L484-Y486 HydrophobicContact CD1-CE2 4.3Å; Y486-L488 PolarHBondContact O-N 3.36Å; Y486-L488 VanDerWaalsContact O-N 3.1Å; Y486-F489 HydrophobicContact CG-CD2 4.48Å; Y486-F489 PolarHBondContact O-N 2.89Å
487	S	91.1	Very high	94.1	Very high	107 Å²	107	54.8 Å²	54.8	75%	0.748	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32.7	-175.6	58.6	0	0	0	0	113.7	G485 F489 K490	G485-S487 PolarHBondContact O-N 3.41Å; S487-F489 PolarHBondContact O-N 3.18Å; S487-K490 PolarHBondContact O-N 3.38Å
488	L	93.4	Very high	94.1	Very high	79 Å²	79	54.7 Å²	54.7	41%	0.414	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-64.9	-15.3	178	-63	175.1	0	0	0	114.1	Y430 Y486	Y430-L488 WeakPolarHBondContact CD1-O 3.46Å; Y430-L488 WeakPolarHBondContact CE1-O 3.47Å; Y486-L488 PolarHBondContact O-N 3.36Å; Y486-L488 VanDerWaalsContact O-N 3.1Å
489	F	94.1	Very high	94.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-113.8	6.3	-175.1	-62.5	-91.9	0	0	0	113.9	Y430 H433 L434 V437 L478 M481 R482 Y486 S487 D491 C492	Y430-F489 HydrophobicContact CD1-CD1 4.3Å; H433-F489 HydrophobicContact CB-CE1 4.27Å; H433-F489 HydrophobicContact CB-CE2 4.27Å; H433-F489 HydrophobicContact CB-CZ 3.73Å; L434-F489 HydrophobicContact CB-CE1 4.24Å; L434-F489 HydrophobicContact CB-CZ 4.34Å; V437-F489 HydrophobicContact CG2-CE2 4.16Å; V437-F489 HydrophobicContact CG2-CZ 4.49Å; L478-F489 HydrophobicContact CD2-CD1 3.9Å; L478-F489 HydrophobicContact CD2-CE1 3.65Å; M481-F489 HydrophobicContact CB-CB 4.14Å; M481-F489 HydrophobicContact CB-CD1 3.89Å; M481-F489 HydrophobicContact CB-CD2 3.65Å; M481-F489 HydrophobicContact CB-CE1 4.17Å; M481-F489 HydrophobicContact CB-CE2 3.93Å; M481-F489 HydrophobicContact CB-CG 3.61Å; M481-F489 HydrophobicContact CB-CZ 4.17Å; M481-F489 HydrophobicContact CG-CD2 4.46Å; M481-F489 HydrophobicContact CG-CE1 4.36Å; M481-F489 HydrophobicContact CG-CE2 4.25Å; M481-F489 HydrophobicContact CG-CZ 4.18Å; R482-F489 HydrophobicContact CB-CB 4.21Å; Y486-F489 HydrophobicContact CG-CD2 4.48Å; Y486-F489 PolarHBondContact O-N 2.89Å; S487-F489 PolarHBondContact O-N 3.18Å; F489-D491 VanDerWaalsContact C-N 3.27Å; F489-D491 PolarHBondContact O-N 3.41Å; F489-C492 HydrophobicContact CB-CB 4.4Å; F489-C492 WeakPolarHBondContact O-CB 3.27Å; F489-C492 PolarHBondContact O-N 2.93Å; F489-C492 VanDerWaalsContact O-N 3.14Å; F489-C492 PolarHBondContact O-SG 3.4Å
490	K	90.6	Very high	94.2	Very high	159 Å²	159	53.3 Å²	53.3	69%	0.691	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-43.9	-176.4	-170.5	176.9	178.2	-178	0	113.3	S487	S487-K490 PolarHBondContact O-N 3.38Å
491	D	91.6	Very high	94.3	Very high	117 Å²	117	52.2 Å²	52.2	63%	0.626	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	31.4	-176.7	-53.8	-44.7	0	0	0	112.9	Y430 F489	Y430-D491 VanDerWaalsContact OH-C 3.22Å; Y430-D491 PolarHBondContact OH-O 3.13Å; F489-D491 VanDerWaalsContact C-N 3.27Å; F489-D491 PolarHBondContact O-N 3.41Å
492	C	94.8	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.			trans	-82.9	-7.6	-176.3	78.4	0	0	0	0	114.6	Y430 L478 F489 A494 T495 A496	Y430-C492 HydrophobicContact CD1-CB 3.85Å; Y430-C492 HydrophobicContact CD2-CB 4.16Å; Y430-C492 HydrophobicContact CE1-CB 3.94Å; Y430-C492 HydrophobicContact CE2-CB 4.21Å; Y430-C492 HydrophobicContact CG-CB 3.98Å; L478-C492 PolarHBondContact O-SG 3.07Å; L478-C492 VanDerWaalsContact O-SG 3.41Å; F489-C492 HydrophobicContact CB-CB 4.4Å; F489-C492 WeakPolarHBondContact O-CB 3.27Å; F489-C492 PolarHBondContact O-N 2.93Å; F489-C492 VanDerWaalsContact O-N 3.14Å; F489-C492 PolarHBondContact O-SG 3.4Å; C492-A494 PolarHBondContact O-N 2.72Å; C492-T495 WeakPolarHBondContact O-CA 3.43Å; C492-T495 WeakPolarHBondContact O-CB 3.44Å; C492-T495 PolarHBondContact O-N 3.21Å; C492-A496 PolarHBondContact O-N 2.95Å
493	E	95.3	Very high	94.5	Very high	70 Å²	70	49 Å²	49	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-44.1	-169.6	-176.7	55.6	-137.1	0	0	112.9	R479 R482 T495 A496 A497	R479-E493 IonicContact CZ-OE1 2.66Å; R479-E493 IonicContact NE-OE1 3.18Å; R479-E493 PolarHBondContact NE-OE1 2.98Å; R479-E493 VanDerWaalsContact NE-OE1 3.1Å; R479-E493 IonicContact NE-OE2 3.56Å; R479-E493 PolarHBondContact NE-OE2 3.22Å; R479-E493 VanDerWaalsContact NE-OE2 3.12Å; R479-E493 IonicContact NH2-OE1 2.72Å; R479-E493 PolarHBondContact NH2-OE1 3.15Å; R482-E493 IonicContact CZ-OE2 3.48Å; R482-E493 IonicContact NH1-OE2 2.97Å; R482-E493 PolarHBondContact NH1-OE2 3.32Å; E493-T495 PolarHBondContact O-N 3.08Å; E493-A496 PolarHBondContact O-N 3.46Å; E493-A496 VanDerWaalsContact O-N 3.15Å; E493-A497 WeakPolarHBondContact O-CB 3.47Å; E493-A497 PolarHBondContact O-N 3.17Å
494	A	95.1	Very high	94.6	Very high	8 Å²	8	47.2 Å²	47.2	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-36.4	176.2	0	0	0	0	0	111.8	C492 F498	C492-A494 PolarHBondContact O-N 2.72Å; A494-F498 WeakPolarHBondContact O-CB 3.23Å; A494-F498 PolarHBondContact O-N 3.03Å
495	T	96.6	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.4	-43.3	176.8	-54.6	0	0	0	0	111.9	I426 N427 Y430 L478 C492 E493 F498 I499	I426-T495 WeakPolarHBondContact CA-OG1 3.45Å; I426-T495 HydrophobicContact CG2-CG2 4.17Å; N427-T495 PolarHBondContact N-OG1 3.33Å; Y430-T495 HydrophobicContact CD2-CG2 4.11Å; Y430-T495 VanDerWaalsContact CD2-OG1 3.25Å; Y430-T495 WeakPolarHBondContact CD2-OG1 3.33Å; Y430-T495 WeakPolarHBondContact CE2-OG1 3.48Å; L478-T495 HydrophobicContact CD1-CG2 4.06Å; C492-T495 WeakPolarHBondContact O-CA 3.43Å; C492-T495 WeakPolarHBondContact O-CB 3.44Å; C492-T495 PolarHBondContact O-N 3.21Å; E493-T495 PolarHBondContact O-N 3.08Å; T495-F498 PolarHBondContact O-N 3.36Å; T495-I499 HydrophobicContact CG2-CD1 4.04Å; T495-I499 WeakPolarHBondContact O-CG1 3.38Å; T495-I499 PolarHBondContact O-N 3.21Å
496	A	96.4	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-43.7	177.1	0	0	0	0	0	111.8	S475 L478 R479 C492 E493 I499 E500	S475-A496 WeakPolarHBondContact CB-O 3.16Å; S475-A496 PolarHBondContact OG-O 3.38Å; L478-A496 HydrophobicContact CB-CB 4.28Å; R479-A496 HydrophobicContact CG-CB 3.91Å; C492-A496 PolarHBondContact O-N 2.95Å; E493-A496 PolarHBondContact O-N 3.46Å; E493-A496 VanDerWaalsContact O-N 3.15Å; A496-I499 PolarHBondContact O-N 2.96Å; A496-E500 WeakPolarHBondContact O-CB 3.49Å; A496-E500 PolarHBondContact O-N 2.82Å
497	A	96.3	Very high	95.2	Very high	34 Å²	34	37.1 Å²	37.1	28%	0.281	19%	0.194	S	C	.	.	H	α-helix	trans	-64.5	-42.2	176.7	0	0	0	0	0	112	E493 E500 M501	E493-A497 WeakPolarHBondContact O-CB 3.47Å; E493-A497 PolarHBondContact O-N 3.17Å; A497-E500 PolarHBondContact O-N 3.1Å; A497-M501 WeakPolarHBondContact O-CB 3.49Å; A497-M501 PolarHBondContact O-N 3.2Å
498	F	96.5	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-50.6	173.8	174.2	-98.8	0	0	0	111.9	T409 M412 L413 I426 A494 T495 E500 M501 I502 Y541 L545	T409-F498 HydrophobicContact CG2-CE1 4.3Å; T409-F498 HydrophobicContact CG2-CZ 3.72Å; M412-F498 HydrophobicContact CE-CZ 4.15Å; L413-F498 HydrophobicContact CD1-CE1 4.27Å; L413-F498 HydrophobicContact CD2-CD1 4.47Å; L413-F498 HydrophobicContact CD2-CE1 4.11Å; I426-F498 HydrophobicContact CD1-CB 3.7Å; I426-F498 HydrophobicContact CD1-CD1 4.44Å; I426-F498 HydrophobicContact CD1-CD2 3.51Å; I426-F498 HydrophobicContact CD1-CE2 4.24Å; I426-F498 HydrophobicContact CD1-CG 3.62Å; I426-F498 HydrophobicContact CG1-CB 3.96Å; I426-F498 HydrophobicContact CG1-CG 4.29Å; I426-F498 HydrophobicContact CG2-CB 4.04Å; I426-F498 HydrophobicContact CG2-CD1 3.86Å; I426-F498 HydrophobicContact CG2-CG 3.98Å; A494-F498 WeakPolarHBondContact O-CB 3.23Å; A494-F498 PolarHBondContact O-N 3.03Å; T495-F498 PolarHBondContact O-N 3.36Å; F498-E500 VanDerWaalsContact C-N 3.29Å; F498-E500 PolarHBondContact O-N 2.96Å; F498-M501 WeakPolarHBondContact O-CB 3.35Å; F498-M501 PolarHBondContact O-N 3.42Å; F498-M501 VanDerWaalsContact O-N 3.15Å; F498-I502 HydrophobicContact CD1-CG1 4.34Å; F498-I502 HydrophobicContact CD2-CG1 4.37Å; F498-I502 HydrophobicContact CE1-CG1 3.89Å; F498-I502 HydrophobicContact CE2-CD1 3.87Å; F498-I502 HydrophobicContact CE2-CG1 3.93Å; F498-I502 HydrophobicContact CZ-CD1 3.93Å; F498-I502 HydrophobicContact CZ-CG1 3.67Å; F498-I502 WeakPolarHBondContact O-CG1 3.41Å; F498-I502 PolarHBondContact O-N 3.37Å; F498-Y541 HydrophobicContact CD2-CE1 4.01Å; F498-L545 HydrophobicContact CD2-CD1 4.43Å; F498-L545 HydrophobicContact CE2-CD1 3.93Å
499	I	96.9	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-44	179.6	-71.2	170.7	0	0	0	110.8	I431 L470 S471 V474 L478 T495 A496 I502 D503	I431-I499 HydrophobicContact CD1-CD1 4.38Å; L470-I499 HydrophobicContact CD2-CG1 4.13Å; S471-I499 WeakPolarHBondContact O-CG2 3.47Å; V474-I499 HydrophobicContact CG1-CD1 3.97Å; L478-I499 HydrophobicContact CD1-CD1 3.97Å; T495-I499 HydrophobicContact CG2-CD1 4.04Å; T495-I499 WeakPolarHBondContact O-CG1 3.38Å; T495-I499 PolarHBondContact O-N 3.21Å; A496-I499 PolarHBondContact O-N 2.96Å; I499-I502 PolarHBondContact O-N 3.05Å; I499-D503 WeakPolarHBondContact O-CB 3.38Å; I499-D503 PolarHBondContact O-N 3.33Å
500	E	96.6	Very high	95.4	Very high	24 Å²	24	29.5 Å²	29.5	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-37.7	177.7	-178.5	168.1	-157.6	0	0	112.8	R479 A496 A497 F498 R504	R479-E500 IonicContact CZ-OE2 3.71Å; R479-E500 IonicContact NH1-OE2 3.61Å; R479-E500 PolarHBondContact NH1-OE2 3.05Å; R479-E500 IonicContact NH2-OE2 3.13Å; R479-E500 PolarHBondContact NH2-OE2 3.18Å; R479-E500 VanDerWaalsContact NH2-OE2 3.14Å; A496-E500 WeakPolarHBondContact O-CB 3.49Å; A496-E500 PolarHBondContact O-N 2.82Å; A497-E500 PolarHBondContact O-N 3.1Å; F498-E500 VanDerWaalsContact C-N 3.29Å; F498-E500 PolarHBondContact O-N 2.96Å; E500-R504 HydrophobicContact CG-CG 4.47Å; E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.27Å; E500-R504 WeakPolarHBondContact O-CG 3.39Å; E500-R504 PolarHBondContact O-N 3.44Å; E500-R504 IonicContact OE1-CZ 2.69Å; E500-R504 IonicContact OE1-NE 2.97Å; E500-R504 PolarHBondContact OE1-NE 3.18Å; E500-R504 IonicContact OE1-NH2 3.57Å; E500-R504 PolarHBondContact OE1-NH2 3.25Å
501	M	96.3	Very high	95.5	Very high	39 Å²	39	22 Å²	22	19%	0.192	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-48.4	174.8	-174.4	65.8	75.2	0	0	111.2	A497 F498 M505 F534 A538 Y541	A497-M501 WeakPolarHBondContact O-CB 3.49Å; A497-M501 PolarHBondContact O-N 3.2Å; F498-M501 WeakPolarHBondContact O-CB 3.35Å; F498-M501 PolarHBondContact O-N 3.42Å; F498-M501 VanDerWaalsContact O-N 3.15Å; M501-M505 HydrophobicContact CG-CE 4.35Å; M501-M505 WeakPolarHBondContact O-CG 3.38Å; M501-M505 PolarHBondContact O-N 3.34Å; M501-F534 HydrophobicContact SD-CE2 3.67Å; M501-F534 HydrophobicContact SD-CZ 4.02Å; M501-A538 HydrophobicContact CG-CB 4.44Å; M501-A538 HydrophobicContact SD-CB 3.63Å; M501-Y541 HydrophobicContact CB-CD1 4.4Å; M501-Y541 HydrophobicContact CB-CE1 4.21Å; M501-Y541 HydrophobicContact CE-CD1 4.25Å; M501-Y541 HydrophobicContact CE-CG 4.28Å; M501-Y541 HydrophobicContact CG-CD1 3.77Å; M501-Y541 HydrophobicContact CG-CE1 4.07Å
502	I	96.9	Very high	95.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-44.9	178.3	-57.9	-53.6	0	0	0	111.5	L406 T409 L470 F498 I499 R504 M505 F506 L542	L406-I502 HydrophobicContact CD1-CG2 3.5Å; T409-I502 HydrophobicContact CG2-CD1 3.98Å; T409-I502 HydrophobicContact CG2-CG1 4.03Å; T409-I502 HydrophobicContact CG2-CG2 4.34Å; L470-I502 HydrophobicContact CB-CG2 4.43Å; L470-I502 HydrophobicContact CD1-CG2 4.15Å; F498-I502 HydrophobicContact CD1-CG1 4.34Å; F498-I502 HydrophobicContact CD2-CG1 4.37Å; F498-I502 HydrophobicContact CE1-CG1 3.89Å; F498-I502 HydrophobicContact CE2-CD1 3.87Å; F498-I502 HydrophobicContact CE2-CG1 3.93Å; F498-I502 HydrophobicContact CZ-CD1 3.93Å; F498-I502 HydrophobicContact CZ-CG1 3.67Å; F498-I502 WeakPolarHBondContact O-CG1 3.41Å; F498-I502 PolarHBondContact O-N 3.37Å; I499-I502 PolarHBondContact O-N 3.05Å; I502-R504 PolarHBondContact O-N 2.87Å; I502-M505 HydrophobicContact CB-CE 4.44Å; I502-M505 HydrophobicContact CD1-CE 3.28Å; I502-M505 HydrophobicContact CG1-CE 4.35Å; I502-M505 PolarHBondContact O-N 3Å; I502-F506 WeakPolarHBondContact O-CB 3.22Å; I502-F506 PolarHBondContact O-N 3.4Å; I502-L542 HydrophobicContact CD1-CD2 4.14Å
503	D	96.8	Very high	95.3	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.107	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-50.5	178.4	177.5	91.7	0	0	0	111.5	L470 S471 R472 I499 M505 F506 D507	L470-D503 WeakPolarHBondContact O-CB 3.46Å; S471-D503 VanDerWaalsContact CA-OD1 3.22Å; S471-D503 WeakPolarHBondContact CA-OD1 3.42Å; R472-D503 WeakPolarHBondContact CB-OD2 3.44Å; R472-D503 PolarHBondContact N-OD1 2.86Å; I499-D503 WeakPolarHBondContact O-CB 3.38Å; I499-D503 PolarHBondContact O-N 3.33Å; D503-M505 PolarHBondContact O-N 2.94Å; D503-F506 PolarHBondContact O-N 3.5Å; D503-D507 WeakPolarHBondContact O-CB 3.34Å; D503-D507 PolarHBondContact O-N 3.05Å
504	R	96.3	Very high	95	Very high	78 Å²	78	25.7 Å²	25.7	29%	0.294	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-38.7	179.5	-69.8	175.7	-178.8	-158	3.7	112.6	E500 I502 T508 F519 F534	E500-R504 HydrophobicContact CG-CG 4.47Å; E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 VanDerWaalsContact O-CG 3.27Å; E500-R504 WeakPolarHBondContact O-CG 3.39Å; E500-R504 PolarHBondContact O-N 3.44Å; E500-R504 IonicContact OE1-CZ 2.69Å; E500-R504 IonicContact OE1-NE 2.97Å; E500-R504 PolarHBondContact OE1-NE 3.18Å; E500-R504 IonicContact OE1-NH2 3.57Å; E500-R504 PolarHBondContact OE1-NH2 3.25Å; I502-R504 PolarHBondContact O-N 2.87Å; R504-T508 WeakPolarHBondContact O-CB 3.36Å; R504-T508 PolarHBondContact O-N 3.39Å; R504-T508 VanDerWaalsContact O-N 3.08Å; R504-T508 PolarHBondContact O-OG1 2.77Å; R504-F519 HydrophobicContact CB-CD1 4.12Å; R504-F519 HydrophobicContact CB-CD2 4.19Å; R504-F519 HydrophobicContact CB-CE1 4.36Å; R504-F519 HydrophobicContact CB-CE2 4.44Å; R504-F519 HydrophobicContact CB-CG 4.04Å; R504-F519 HydrophobicContact CG-CD2 3.74Å; R504-F519 HydrophobicContact CG-CE2 3.89Å; R504-F519 HydrophobicContact CG-CG 4.1Å; R504-F519 HydrophobicContact CG-CZ 4.37Å; R504-F534 HydrophobicContact CB-CE1 4.1Å; R504-F534 HydrophobicContact CB-CE2 3.93Å; R504-F534 HydrophobicContact CB-CZ 3.39Å
505	M	96.1	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-48.9	173.4	-76	-169.5	-59.2	0	0	111.2	M501 I502 D503 D507 T508 M509 F534 A538 L542 I569	M501-M505 HydrophobicContact CG-CE 4.35Å; M501-M505 WeakPolarHBondContact O-CG 3.38Å; M501-M505 PolarHBondContact O-N 3.34Å; I502-M505 HydrophobicContact CB-CE 4.44Å; I502-M505 HydrophobicContact CD1-CE 3.28Å; I502-M505 HydrophobicContact CG1-CE 4.35Å; I502-M505 PolarHBondContact O-N 3Å; D503-M505 PolarHBondContact O-N 2.94Å; M505-D507 PolarHBondContact O-N 3.15Å; M505-T508 WeakPolarHBondContact O-CB 3.25Å; M505-T508 PolarHBondContact O-N 2.77Å; M505-M509 WeakPolarHBondContact O-CG 3.35Å; M505-M509 PolarHBondContact O-N 2.88Å; M505-F534 HydrophobicContact CG-CE1 3.99Å; M505-F534 HydrophobicContact CG-CZ 3.88Å; M505-A538 HydrophobicContact CG-CB 3.75Å; M505-A538 HydrophobicContact SD-CB 3.56Å; M505-A538 VanDerWaalsContact SD-CB 3.56Å; M505-L542 HydrophobicContact CE-CD1 3.98Å; M505-L542 HydrophobicContact CE-CD2 4.26Å; M505-L542 HydrophobicContact CE-CG 4.3Å; M505-L542 HydrophobicContact SD-CD1 3.86Å; M505-L542 HydrophobicContact SD-CG 4.45Å; M505-I569 HydrophobicContact SD-CD1 4.09Å
506	F	95.6	Very high	94.6	Very high	18 Å²	18	33.5 Å²	33.5	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-179.7	179.8	-108.2	0	0	0	111.8	P402 L406 A467 I502 D503 T508 M509 N510	P402-F506 HydrophobicContact CB-CD2 4.11Å; P402-F506 HydrophobicContact CB-CE2 4.13Å; L406-F506 HydrophobicContact CB-CD2 4.23Å; L406-F506 HydrophobicContact CB-CE2 4.38Å; L406-F506 HydrophobicContact CD1-CB 4.42Å; L406-F506 HydrophobicContact CD1-CG 4.43Å; L406-F506 HydrophobicContact CD2-CD1 3.92Å; L406-F506 HydrophobicContact CD2-CD2 3.85Å; L406-F506 HydrophobicContact CD2-CE1 3.9Å; L406-F506 HydrophobicContact CD2-CE2 3.85Å; L406-F506 HydrophobicContact CD2-CG 3.88Å; L406-F506 HydrophobicContact CD2-CZ 3.86Å; L406-F506 HydrophobicContact CG-CD2 4.47Å; A467-F506 HydrophobicContact CB-CE1 4.44Å; I502-F506 WeakPolarHBondContact O-CB 3.22Å; I502-F506 PolarHBondContact O-N 3.4Å; D503-F506 PolarHBondContact O-N 3.5Å; F506-T508 VanDerWaalsContact C-N 3.28Å; F506-T508 PolarHBondContact O-N 2.99Å; F506-M509 CarbonylContact O-C 3.47Å; F506-M509 PolarHBondContact O-N 3.48Å; F506-M509 VanDerWaalsContact O-N 3.15Å; F506-N510 HydrophobicContact CE1-CB 4.47Å; F506-N510 WeakPolarHBondContact CE1-ND2 3.44Å; F506-N510 HydrophobicContact CE2-CB 4.43Å; F506-N510 HydrophobicContact CZ-CB 4.31Å; F506-N510 WeakPolarHBondContact CZ-ND2 3.48Å; F506-N510 WeakPolarHBondContact O-CB 3.34Å; F506-N510 PolarHBondContact O-N 2.99Å
507	D	95.1	Very high	94.3	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-39.5	175.8	-86.9	-6.7	0	0	0	112.1	D503 M505 M509 N510 A511 F519 K520	D503-D507 WeakPolarHBondContact O-CB 3.34Å; D503-D507 PolarHBondContact O-N 3.05Å; M505-D507 PolarHBondContact O-N 3.15Å; D507-M509 VanDerWaalsContact C-N 3.35Å; D507-N510 CarbonylContact O-C 3.54Å; D507-N510 PolarHBondContact O-N 3.02Å; D507-A511 PolarHBondContact O-N 3.34Å; D507-F519 CarbonylContact C-O 3.07Å; D507-F519 HydrophobicContact CB-CB 3.97Å; D507-K520 HydrophobicContact CB-CG 3.86Å; D507-K520 VanDerWaalsContact CG-CG 3.49Å; D507-K520 WeakPolarHBondContact OD1-CE 3.47Å; D507-K520 IonicContact OD1-NZ 2.84Å; D507-K520 WeakPolarHBondContact OD2-CE 3.21Å; D507-K520 WeakPolarHBondContact OD2-CG 3.35Å
508	T	94.9	Very high	94	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-38.2	176.8	-59.5	0	0	0	0	111.9	R504 M505 F506 N510 F519 M523 L535 T588	R504-T508 WeakPolarHBondContact O-CB 3.36Å; R504-T508 PolarHBondContact O-N 3.39Å; R504-T508 VanDerWaalsContact O-N 3.08Å; R504-T508 PolarHBondContact O-OG1 2.77Å; M505-T508 WeakPolarHBondContact O-CB 3.25Å; M505-T508 PolarHBondContact O-N 2.77Å; F506-T508 VanDerWaalsContact C-N 3.28Å; F506-T508 PolarHBondContact O-N 2.99Å; T508-N510 VanDerWaalsContact C-N 3.34Å; T508-F519 WeakPolarHBondContact CA-O 3.33Å; T508-F519 PolarHBondContact N-O 2.9Å; T508-F519 WeakPolarHBondContact OG1-CD1 3.42Å; T508-M523 HydrophobicContact CG2-CE 3.15Å; T508-L535 HydrophobicContact CG2-CD2 4.12Å; T508-T588 WeakPolarHBondContact O-CG2 3.4Å; T508-T588 PolarHBondContact O-OG1 3.02Å
509	M	94.3	Very high	93.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-85.1	-4.3	179.7	-62.3	179.6	-174.8	0	0	113.6	P402 M505 F506 D507 L535 F565 N568 I569 L572 T588	P402-M509 HydrophobicContact CB-CB 4.05Å; P402-M509 HydrophobicContact CG-CB 3.88Å; M505-M509 WeakPolarHBondContact O-CG 3.35Å; M505-M509 PolarHBondContact O-N 2.88Å; F506-M509 CarbonylContact O-C 3.47Å; F506-M509 PolarHBondContact O-N 3.48Å; F506-M509 VanDerWaalsContact O-N 3.15Å; D507-M509 VanDerWaalsContact C-N 3.35Å; M509-L535 HydrophobicContact CE-CD2 4.41Å; M509-F565 HydrophobicContact CE-CD1 3.97Å; M509-F565 HydrophobicContact SD-CD1 3.71Å; M509-F565 HydrophobicContact SD-CE1 3.93Å; M509-N568 HydrophobicContact CE-CB 3.74Å; M509-N568 HydrophobicContact SD-CB 3.7Å; M509-I569 HydrophobicContact CE-CD1 4.45Å; M509-I569 HydrophobicContact CE-CG1 3.6Å; M509-L572 HydrophobicContact CE-CD1 4.39Å; M509-L572 HydrophobicContact CG-CD1 3.86Å; M509-T588 WeakPolarHBondContact O-CB 3.41Å; M509-T588 PolarHBondContact O-OG1 3.04Å
510	N	93.6	Very high	93.6	Very high	24 Å²	24	50.4 Å²	50.4	13%	0.128	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	37.1	-175.3	-168	16.9	0	0	0	111.8	F506 D507 T508 R512 T588 Y589	F506-N510 HydrophobicContact CE1-CB 4.47Å; F506-N510 WeakPolarHBondContact CE1-ND2 3.44Å; F506-N510 HydrophobicContact CE2-CB 4.43Å; F506-N510 HydrophobicContact CZ-CB 4.31Å; F506-N510 WeakPolarHBondContact CZ-ND2 3.48Å; F506-N510 WeakPolarHBondContact O-CB 3.34Å; F506-N510 PolarHBondContact O-N 2.99Å; D507-N510 CarbonylContact O-C 3.54Å; D507-N510 PolarHBondContact O-N 3.02Å; T508-N510 VanDerWaalsContact C-N 3.34Å; N510-R512 PolarHBondContact ND2-NH2 2.99Å; N510-R512 WeakPolarHBondContact O-CG 3.47Å; N510-R512 PolarHBondContact O-N 3.28Å; N510-R512 PolarHBondContact OD1-NE 3.4Å; N510-R512 VanDerWaalsContact OD1-NE 3.1Å; N510-R512 PolarHBondContact OD1-NH2 2.79Å; N510-R512 VanDerWaalsContact OD1-NH2 3.12Å; N510-T588 PolarHBondContact N-OG1 3.02Å; N510-Y589 VanDerWaalsContact OD1-CD2 3.25Å; N510-Y589 WeakPolarHBondContact OD1-CD2 3.2Å
511	A	93.3	Very high	93.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	25%	0.253	C	S	.	.			trans	-72.6	115.9	178.4	0	0	0	0	0	110.7	D507 K520 T588 Y589	D507-A511 PolarHBondContact O-N 3.34Å; A511-K520 WeakPolarHBondContact CB-O 3.36Å; A511-T588 WeakPolarHBondContact CB-OG1 3.46Å; A511-T588 PolarHBondContact N-OG1 3.34Å; A511-Y589 WeakPolarHBondContact O-CB 3.4Å; A511-Y589 PolarHBondContact O-N 2.93Å
512	R	91.3	Very high	93.4	Very high	122 Å²	122	48.1 Å²	48.1	46%	0.46	25%	0.245	S	C	.	.			trans	-106	-39.7	-174.1	-56.3	-172.1	-179.8	-157	-9.4	114	N510 Y589 D594	N510-R512 PolarHBondContact ND2-NH2 2.99Å; N510-R512 WeakPolarHBondContact O-CG 3.47Å; N510-R512 PolarHBondContact O-N 3.28Å; N510-R512 PolarHBondContact OD1-NE 3.4Å; N510-R512 VanDerWaalsContact OD1-NE 3.1Å; N510-R512 PolarHBondContact OD1-NH2 2.79Å; N510-R512 VanDerWaalsContact OD1-NH2 3.12Å; R512-Y589 HydrophobicContact CB-CD1 4.48Å; R512-Y589 HydrophobicContact CB-CG 4.44Å; R512-Y589 HydrophobicContact CG-CD1 4.01Å; R512-Y589 HydrophobicContact CG-CD2 3.92Å; R512-Y589 HydrophobicContact CG-CG 3.62Å; R512-Y589 VanDerWaalsContact NH2-CE2 3.27Å; R512-D594 IonicContact CZ-OD2 3.74Å; R512-D594 IonicContact NH2-OD2 3.12Å; R512-D594 PolarHBondContact NH2-OD2 3.14Å
513	N	91	Very high	93.2	Very high	85 Å²	85	48.1 Å²	48.1	46%	0.455	25%	0.245	S	C	.	.			trans	-106.4	122.9	-169.5	-179.4	-5.1	0	0	0	109.6	L515 A516	N513-L515 PolarHBondContact O-N 3.49Å; N513-L515 VanDerWaalsContact O-N 3.11Å; N513-L515 PolarHBondContact OD1-N 2.92Å; N513-A516 HydrophobicContact CB-CB 4.13Å; N513-A516 WeakPolarHBondContact O-CB 3.49Å; N513-A516 PolarHBondContact O-N 2.9Å
514	P	89.8	Confident	93.1	Very high	57 Å²	57	47.2 Å²	47.2	37%	0.37	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.2	175	-26	34.1	0	0	0	114.6	P522 Y585 L587	P514-P522 WeakPolarHBondContact O-CD 3.48Å; P514-P522 WeakPolarHBondContact O-CG 3.22Å; P514-Y585 HydrophobicContact CB-CE2 4.27Å; P514-Y585 HydrophobicContact CG-CE2 4.22Å; P514-L587 HydrophobicContact CG-CD1 4.29Å; P514-L587 HydrophobicContact CG-CD2 4.49Å
515	L	90.4	Very high	92.9	Very high	146 Å²	146	47.4 Å²	47.4	76%	0.764	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.9	-177.6	-55.9	178.2	0	0	0	113.5	N513	N513-L515 PolarHBondContact O-N 3.49Å; N513-L515 VanDerWaalsContact O-N 3.11Å; N513-L515 PolarHBondContact OD1-N 2.92Å
516	A	91.2	Very high	92.8	Very high	27 Å²	27	54.8 Å²	54.8	22%	0.223	28%	0.281	C	S	.	.			trans	-63.3	150.9	177.1	0	0	0	0	0	111.3	N513 K520 A521	N513-A516 HydrophobicContact CB-CB 4.13Å; N513-A516 WeakPolarHBondContact O-CB 3.49Å; N513-A516 PolarHBondContact O-N 2.9Å; A516-K520 HydrophobicContact CB-CB 3.92Å; A516-K520 VanDerWaalsContact CB-O 3.23Å; A516-K520 WeakPolarHBondContact CB-O 3.23Å; A516-A521 VanDerWaalsContact O-CA 3.32Å; A516-A521 WeakPolarHBondContact O-CA 3.25Å; A516-A521 WeakPolarHBondContact O-CB 3.39Å
517	K	90.3	Very high	92.7	Very high	189 Å²	189	54.5 Å²	54.5	82%	0.822	28%	0.281	S	S	*	.			trans	-112.3	162.8	-179.9	-62.2	-176.9	-179.4	-178.9	0	110.8
518	G	91.8	Very high	92.7	Very high	49 Å²	49	54.4 Å²	54.4	51%	0.505	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	63.7	-149.2	-178.9	0	0	0	0	0	111.6	K520 A521 R531	G518-K520 PolarHBondContact O-N 2.84Å; G518-K520 VanDerWaalsContact O-N 3.12Å; G518-A521 WeakPolarHBondContact O-CB 3.37Å; G518-A521 PolarHBondContact O-N 3.23Å; G518-R531 VanDerWaalsContact C-NH2 3.28Å; G518-R531 PolarHBondContact O-NH2 3.1Å
519	F	90.8	Very high	92.7	Very high	37 Å²	37	61.2 Å²	61.2	16%	0.162	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.6	-16.2	-176.4	-71.3	-84.2	0	0	0	114.9	R504 D507 T508 A521 F534	R504-F519 HydrophobicContact CB-CD1 4.12Å; R504-F519 HydrophobicContact CB-CD2 4.19Å; R504-F519 HydrophobicContact CB-CE1 4.36Å; R504-F519 HydrophobicContact CB-CE2 4.44Å; R504-F519 HydrophobicContact CB-CG 4.04Å; R504-F519 HydrophobicContact CG-CD2 3.74Å; R504-F519 HydrophobicContact CG-CE2 3.89Å; R504-F519 HydrophobicContact CG-CG 4.1Å; R504-F519 HydrophobicContact CG-CZ 4.37Å; D507-F519 CarbonylContact C-O 3.07Å; D507-F519 HydrophobicContact CB-CB 3.97Å; T508-F519 WeakPolarHBondContact CA-O 3.33Å; T508-F519 PolarHBondContact N-O 2.9Å; T508-F519 WeakPolarHBondContact OG1-CD1 3.42Å; F519-A521 VanDerWaalsContact C-N 3.33Å; F519-F534 HydrophobicContact CD1-CD1 4.2Å; F519-F534 HydrophobicContact CD1-CE1 4.24Å; F519-F534 HydrophobicContact CE1-CB 4.28Å; F519-F534 AromaticContact CE1-CD1 3.71Å; F519-F534 HydrophobicContact CE1-CD1 3.71Å; F519-F534 AromaticContact CE1-CD2 3.97Å; F519-F534 HydrophobicContact CE1-CD2 3.97Å; F519-F534 HydrophobicContact CE1-CE1 4.03Å; F519-F534 HydrophobicContact CE1-CE2 4.27Å; F519-F534 AromaticContact CE1-CG 3.69Å; F519-F534 HydrophobicContact CE1-CG 3.69Å; F519-F534 HydrophobicContact CE1-CZ 4.31Å; F519-F534 HydrophobicContact CZ-CD2 4.28Å; F519-F534 HydrophobicContact CZ-CG 4.38Å
520	K	93.1	Very high	92.8	Very high	114 Å²	114	66.5 Å²	66.5	50%	0.496	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-82.3	-10.3	173.5	-64.2	-176.9	179.4	179.5	0	113.9	D507 A511 A516 G518	D507-K520 HydrophobicContact CB-CG 3.86Å; D507-K520 VanDerWaalsContact CG-CG 3.49Å; D507-K520 WeakPolarHBondContact OD1-CE 3.47Å; D507-K520 IonicContact OD1-NZ 2.84Å; D507-K520 WeakPolarHBondContact OD2-CE 3.21Å; D507-K520 WeakPolarHBondContact OD2-CG 3.35Å; A511-K520 WeakPolarHBondContact CB-O 3.36Å; A516-K520 HydrophobicContact CB-CB 3.92Å; A516-K520 VanDerWaalsContact CB-O 3.23Å; A516-K520 WeakPolarHBondContact CB-O 3.23Å; G518-K520 PolarHBondContact O-N 2.84Å; G518-K520 VanDerWaalsContact O-N 3.12Å
521	A	93.8	Very high	92.9	Very high	11 Å²	11	65.7 Å²	65.7	9%	0.091	33%	0.332	C	S	.	.	S	Bend	trans	-63.5	148.3	177.9	0	0	0	0	0	110.8	A516 G518 F519	A516-A521 VanDerWaalsContact O-CA 3.32Å; A516-A521 WeakPolarHBondContact O-CA 3.25Å; A516-A521 WeakPolarHBondContact O-CB 3.39Å; G518-A521 WeakPolarHBondContact O-CB 3.37Å; G518-A521 PolarHBondContact O-N 3.23Å; F519-A521 VanDerWaalsContact C-N 3.33Å
522	P	94.5	Very high	93	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.019	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.7	154.2	172.7	28.3	-37	0	0	0	111.2	P514 W526 N527 Y585 L587	P514-P522 WeakPolarHBondContact O-CD 3.48Å; P514-P522 WeakPolarHBondContact O-CG 3.22Å; P522-W526 HydrophobicContact CG-CZ2 4.25Å; P522-N527 PolarHBondContact O-ND2 2.79Å; P522-Y585 HydrophobicContact CB-CD2 3.71Å; P522-Y585 HydrophobicContact CB-CG 4.21Å; P522-Y585 HydrophobicContact CG-CD2 4.26Å; P522-L587 HydrophobicContact CB-CD2 3.92Å
523	M	93.8	Very high	93.3	Very high	1 Å²	1	67 Å²	67	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.9	173.4	-67.6	-176.8	179.9	0	0	109.1	T508 W528 L535 L572 I576 Y585 V586 T588	T508-M523 HydrophobicContact CG2-CE 3.15Å; M523-W528 HydrophobicContact SD-CE3 4.48Å; M523-W528 HydrophobicContact SD-CZ3 4.05Å; M523-L535 HydrophobicContact CE-CD1 4.29Å; M523-L572 HydrophobicContact CE-CD1 4.29Å; M523-I576 HydrophobicContact CB-CG2 4.23Å; M523-I576 HydrophobicContact SD-CB 4.49Å; M523-I576 HydrophobicContact SD-CD1 3.67Å; M523-I576 HydrophobicContact SD-CG1 3.67Å; M523-I576 HydrophobicContact SD-CG2 4.18Å; M523-Y585 CarbonylContact O-C 3.59Å; M523-Y585 WeakPolarHBondContact O-CA 3.5Å; M523-Y585 WeakPolarHBondContact O-CB 3.31Å; M523-V586 PolarHBondContact N-O 2.98Å; M523-V586 PolarHBondContact O-N 2.93Å; M523-T588 HydrophobicContact CE-CG2 3.94Å; M523-T588 HydrophobicContact SD-CG2 4.01Å
524	G	93.8	Very high	93.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.9	178	0	0	0	0	0	110.7	W526 N527 W528	G524-W526 PolarHBondContact O-N 3.31Å; G524-N527 PolarHBondContact N-OD1 2.87Å; G524-N527 PolarHBondContact O-N 3.11Å; G524-N527 PolarHBondContact O-OD1 3.44Å; G524-W528 WeakPolarHBondContact O-CB 3.31Å; G524-W528 PolarHBondContact O-N 2.95Å
525	S	92.8	Very high	93.9	Very high	83 Å²	83	60.8 Å²	60.8	58%	0.58	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.7	-177.6	-47.2	0	0	0	0	112.9
526	W	93.6	Very high	94.2	Very high	154 Å²	154	55.7 Å²	55.7	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-25.3	179.5	65.7	89.7	0	0	0	114.9	P522 G524 R584 Y585	P522-W526 HydrophobicContact CG-CZ2 4.25Å; G524-W526 PolarHBondContact O-N 3.31Å; W526-R584 HydrophobicContact CZ3-CG 4.24Å; W526-R584 WeakPolarHBondContact CZ3-O 3.29Å; W526-Y585 HydrophobicContact CH2-CG 4.47Å
527	N	94.4	Very high	94.4	Very high	12 Å²	12	61.9 Å²	61.9	6%	0.064	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-1.5	-178.9	67.9	10.6	0	0	0	113.3	P522 G524 M529 E530 R531	P522-N527 PolarHBondContact O-ND2 2.79Å; G524-N527 PolarHBondContact N-OD1 2.87Å; G524-N527 PolarHBondContact O-N 3.11Å; G524-N527 PolarHBondContact O-OD1 3.44Å; N527-M529 PolarHBondContact O-N 3.15Å; N527-E530 PolarHBondContact O-N 2.79Å; N527-R531 WeakPolarHBondContact O-CG 3.19Å; N527-R531 PolarHBondContact O-N 2.86Å
528	W	94.6	Very high	94.7	Very high	25 Å²	25	52.9 Å²	52.9	10%	0.095	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-43.8	-174.4	174.4	-122.4	0	0	0	113.2	M523 G524 E530 R531 K532 L572 L573 I576 P577 L580	M523-W528 HydrophobicContact SD-CE3 4.48Å; M523-W528 HydrophobicContact SD-CZ3 4.05Å; G524-W528 WeakPolarHBondContact O-CB 3.31Å; G524-W528 PolarHBondContact O-N 2.95Å; W528-E530 VanDerWaalsContact C-N 3.34Å; W528-E530 PolarHBondContact O-N 2.9Å; W528-R531 HydrophobicContact CE3-CB 4.37Å; W528-R531 PolarHBondContact O-N 2.9Å; W528-K532 HydrophobicContact CZ2-CB 4.3Å; W528-K532 HydrophobicContact CZ2-CD 4.44Å; W528-K532 VanDerWaalsContact O-CB 3.29Å; W528-K532 WeakPolarHBondContact O-CB 3.43Å; W528-K532 PolarHBondContact O-N 3.16Å; W528-L572 WeakPolarHBondContact CH2-O 3.37Å; W528-L573 HydrophobicContact CH2-CD2 4.21Å; W528-L573 HydrophobicContact CZ2-CD2 4.48Å; W528-I576 HydrophobicContact CD2-CG2 4.03Å; W528-I576 HydrophobicContact CE3-CB 4.16Å; W528-I576 HydrophobicContact CE3-CG2 3.47Å; W528-I576 VanDerWaalsContact CE3-CG2 3.47Å; W528-I576 HydrophobicContact CH2-CB 3.64Å; W528-I576 HydrophobicContact CH2-CG1 4.26Å; W528-I576 HydrophobicContact CH2-CG2 3.91Å; W528-I576 HydrophobicContact CZ2-CB 4.27Å; W528-I576 HydrophobicContact CZ2-CG2 4.41Å; W528-I576 HydrophobicContact CZ3-CB 3.58Å; W528-I576 HydrophobicContact CZ3-CG1 4.03Å; W528-I576 HydrophobicContact CZ3-CG2 3.42Å; W528-I576 VanDerWaalsContact CZ3-CG2 3.42Å; W528-P577 HydrophobicContact CZ2-CG 3.57Å; W528-L580 HydrophobicContact CB-CD1 4.1Å; W528-L580 HydrophobicContact CD2-CD1 4.48Å; W528-L580 HydrophobicContact CG-CD1 4.15Å
529	M	95.3	Very high	94.8	Very high	144 Å²	144	51.8 Å²	51.8	71%	0.709	25%	0.249	S	C	*	.	H	α-helix	trans	-62.1	-41.3	-179.5	-67.4	-60.7	-171.7	0	0	112.3	N527 A533	N527-M529 PolarHBondContact O-N 3.15Å; M529-A533 WeakPolarHBondContact O-CB 3.32Å; M529-A533 PolarHBondContact O-N 3.03Å
530	E	95.6	Very high	95	Very high	113 Å²	113	55.9 Å²	55.9	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-45.4	175.2	-171.7	-159.4	145.6	0	0	110.9	N527 W528 A533 F534	N527-E530 PolarHBondContact O-N 2.79Å; W528-E530 VanDerWaalsContact C-N 3.34Å; W528-E530 PolarHBondContact O-N 2.9Å; E530-A533 PolarHBondContact O-N 3.28Å; E530-F534 WeakPolarHBondContact O-CB 3.3Å; E530-F534 PolarHBondContact O-N 3.47Å
531	R	95.4	Very high	95.1	Very high	6 Å²	6	52.1 Å²	52.1	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-44.3	178.4	-69.5	-67.3	-179.6	-101.3	-18	112	G518 N527 W528 F534 L535	G518-R531 VanDerWaalsContact C-NH2 3.28Å; G518-R531 PolarHBondContact O-NH2 3.1Å; N527-R531 WeakPolarHBondContact O-CG 3.19Å; N527-R531 PolarHBondContact O-N 2.86Å; W528-R531 HydrophobicContact CE3-CB 4.37Å; W528-R531 PolarHBondContact O-N 2.9Å; R531-F534 PolarHBondContact O-N 2.7Å; R531-L535 WeakPolarHBondContact O-CB 3.37Å; R531-L535 VanDerWaalsContact O-CG 3.23Å; R531-L535 WeakPolarHBondContact O-CG 3.48Å; R531-L535 PolarHBondContact O-N 3.39Å
532	K	95.8	Very high	95.1	Very high	98 Å²	98	51.8 Å²	51.8	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-57.2	-51.8	175.1	177.4	172.2	-177.7	-176.9	0	110.8	W528 F534 L535 S536 L573	W528-K532 HydrophobicContact CZ2-CB 4.3Å; W528-K532 HydrophobicContact CZ2-CD 4.44Å; W528-K532 VanDerWaalsContact O-CB 3.29Å; W528-K532 WeakPolarHBondContact O-CB 3.43Å; W528-K532 PolarHBondContact O-N 3.16Å; K532-F534 VanDerWaalsContact C-N 3.3Å; K532-F534 PolarHBondContact O-N 2.91Å; K532-L535 PolarHBondContact O-N 2.92Å; K532-S536 PolarHBondContact O-N 3.38Å; K532-S536 PolarHBondContact O-OG 3.01Å; K532-L573 HydrophobicContact CB-CD2 4.29Å; K532-L573 HydrophobicContact CG-CD2 3.79Å
533	A	97.2	Very high	95.1	Very high	52 Å²	52	52.9 Å²	52.9	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-36.1	179.1	0	0	0	0	0	112.9	M529 E530 R537	M529-A533 WeakPolarHBondContact O-CB 3.32Å; M529-A533 PolarHBondContact O-N 3.03Å; E530-A533 PolarHBondContact O-N 3.28Å; A533-R537 PolarHBondContact O-N 3.2Å
534	F	97.2	Very high	95.1	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-49.7	173.4	169.1	-104.6	0	0	0	112.1	M501 R504 M505 F519 E530 R531 K532 S536 R537 A538	M501-F534 HydrophobicContact SD-CE2 3.67Å; M501-F534 HydrophobicContact SD-CZ 4.02Å; R504-F534 HydrophobicContact CB-CE1 4.1Å; R504-F534 HydrophobicContact CB-CE2 3.93Å; R504-F534 HydrophobicContact CB-CZ 3.39Å; M505-F534 HydrophobicContact CG-CE1 3.99Å; M505-F534 HydrophobicContact CG-CZ 3.88Å; F519-F534 HydrophobicContact CD1-CD1 4.2Å; F519-F534 HydrophobicContact CD1-CE1 4.24Å; F519-F534 HydrophobicContact CE1-CB 4.28Å; F519-F534 AromaticContact CE1-CD1 3.71Å; F519-F534 HydrophobicContact CE1-CD1 3.71Å; F519-F534 AromaticContact CE1-CD2 3.97Å; F519-F534 HydrophobicContact CE1-CD2 3.97Å; F519-F534 HydrophobicContact CE1-CE1 4.03Å; F519-F534 HydrophobicContact CE1-CE2 4.27Å; F519-F534 AromaticContact CE1-CG 3.69Å; F519-F534 HydrophobicContact CE1-CG 3.69Å; F519-F534 HydrophobicContact CE1-CZ 4.31Å; F519-F534 HydrophobicContact CZ-CD2 4.28Å; F519-F534 HydrophobicContact CZ-CG 4.38Å; E530-F534 WeakPolarHBondContact O-CB 3.3Å; E530-F534 PolarHBondContact O-N 3.47Å; R531-F534 PolarHBondContact O-N 2.7Å; K532-F534 VanDerWaalsContact C-N 3.3Å; K532-F534 PolarHBondContact O-N 2.91Å; F534-S536 VanDerWaalsContact C-N 3.35Å; F534-S536 PolarHBondContact O-N 3.2Å; F534-R537 PolarHBondContact O-N 3.42Å; F534-A538 HydrophobicContact CZ-CB 4.38Å; F534-A538 WeakPolarHBondContact O-CB 3.43Å; F534-A538 PolarHBondContact O-N 2.88Å
535	L	96.6	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-41.7	-178.6	-70.7	170.3	0	0	0	111.5	T508 M509 M523 R531 K532 A538 R539 I569 L573	T508-L535 HydrophobicContact CG2-CD2 4.12Å; M509-L535 HydrophobicContact CE-CD2 4.41Å; M523-L535 HydrophobicContact CE-CD1 4.29Å; R531-L535 WeakPolarHBondContact O-CB 3.37Å; R531-L535 VanDerWaalsContact O-CG 3.23Å; R531-L535 WeakPolarHBondContact O-CG 3.48Å; R531-L535 PolarHBondContact O-N 3.39Å; K532-L535 PolarHBondContact O-N 2.92Å; L535-A538 PolarHBondContact O-N 3.07Å; L535-R539 WeakPolarHBondContact O-CB 3.45Å; L535-R539 PolarHBondContact O-N 3.14Å; L535-I569 HydrophobicContact CB-CG2 3.96Å; L535-I569 HydrophobicContact CD2-CG1 4.02Å; L535-L573 HydrophobicContact CB-CD2 4.4Å; L535-L573 HydrophobicContact CD1-CD2 4.5Å
536	S	96	Very high	95.2	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-45.4	174.7	-62.1	0	0	0	0	112.2	K532 F534 A538 R539 E540	K532-S536 PolarHBondContact O-N 3.38Å; K532-S536 PolarHBondContact O-OG 3.01Å; F534-S536 VanDerWaalsContact C-N 3.35Å; F534-S536 PolarHBondContact O-N 3.2Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 3.45Å; S536-R539 WeakPolarHBondContact O-CB 3.33Å; S536-R539 PolarHBondContact O-N 3.45Å; S536-E540 PolarHBondContact O-N 2.95Å
537	R	96	Very high	95.2	Very high	158 Å²	158	47.8 Å²	47.8	60%	0.596	23%	0.234	S	C	*	.	H	α-helix	trans	-61.2	-42.4	173.9	-111.5	-173.2	-59.1	174.4	-0.7	112.5	A533 F534 R539 E540 Y541	A533-R537 PolarHBondContact O-N 3.2Å; F534-R537 PolarHBondContact O-N 3.42Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R537-E540 PolarHBondContact O-N 3.16Å; R537-Y541 VanDerWaalsContact O-CB 3.3Å; R537-Y541 WeakPolarHBondContact O-CB 3.46Å; R537-Y541 PolarHBondContact O-N 3.38Å
538	A	96.1	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-39.4	-178.8	0	0	0	0	0	111.1	M501 M505 F534 L535 S536 Y541 L542 I569	M501-A538 HydrophobicContact CG-CB 4.44Å; M501-A538 HydrophobicContact SD-CB 3.63Å; M505-A538 HydrophobicContact CG-CB 3.75Å; M505-A538 HydrophobicContact SD-CB 3.56Å; M505-A538 VanDerWaalsContact SD-CB 3.56Å; F534-A538 HydrophobicContact CZ-CB 4.38Å; F534-A538 WeakPolarHBondContact O-CB 3.43Å; F534-A538 PolarHBondContact O-N 2.88Å; L535-A538 PolarHBondContact O-N 3.07Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 3.45Å; A538-Y541 PolarHBondContact O-N 2.94Å; A538-L542 WeakPolarHBondContact O-CB 3.48Å; A538-L542 VanDerWaalsContact O-CG 3.27Å; A538-L542 WeakPolarHBondContact O-CG 3.22Å; A538-L542 PolarHBondContact O-N 3.08Å; A538-I569 HydrophobicContact CB-CD1 4.41Å
539	R	95.3	Very high	94.4	Very high	25 Å²	25	60.7 Å²	60.7	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-54.3	172	-176.2	-169.3	-167.9	-80	-9.3	111.5	P379 E381 L535 S536 R537 Y541 L542 L543 V566 I569 D570	P379-R539 PolarHBondContact O-NH1 3.42Å; P379-R539 VanDerWaalsContact O-NH1 3.16Å; P379-R539 PolarHBondContact O-NH2 3.06Å; E381-R539 PolarHBondContact O-NH2 3.37Å; L535-R539 WeakPolarHBondContact O-CB 3.45Å; L535-R539 PolarHBondContact O-N 3.14Å; S536-R539 WeakPolarHBondContact O-CB 3.33Å; S536-R539 PolarHBondContact O-N 3.45Å; R537-R539 VanDerWaalsContact C-N 3.32Å; R539-Y541 PolarHBondContact O-N 2.98Å; R539-L542 PolarHBondContact O-N 3.17Å; R539-L543 WeakPolarHBondContact O-CG 3.41Å; R539-L543 PolarHBondContact O-N 3.38Å; R539-V566 HydrophobicContact CG-CG1 4.24Å; R539-V566 HydrophobicContact CG-CG2 4.48Å; R539-I569 HydrophobicContact CB-CD1 4.05Å; R539-I569 HydrophobicContact CB-CG2 4.07Å; R539-D570 WeakPolarHBondContact CD-OD1 3.41Å; R539-D570 IonicContact CZ-OD1 3.66Å; R539-D570 IonicContact CZ-OD2 3.65Å; R539-D570 IonicContact NE-OD1 2.74Å; R539-D570 PolarHBondContact NE-OD1 3.38Å; R539-D570 IonicContact NE-OD2 3.37Å; R539-D570 PolarHBondContact NE-OD2 3.11Å; R539-D570 IonicContact NH2-OD1 3.73Å; R539-D570 IonicContact NH2-OD2 2.97Å; R539-D570 PolarHBondContact NH2-OD2 3.4Å
540	E	94.3	Very high	94.1	Very high	124 Å²	124	56 Å²	56	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-58.5	-48.6	179.1	-72	169.8	-166.9	0	0	111.2	S536 R537 L542 L543 T544	S536-E540 PolarHBondContact O-N 2.95Å; R537-E540 PolarHBondContact O-N 3.16Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.09Å; E540-L543 PolarHBondContact O-N 3.06Å; E540-L543 VanDerWaalsContact O-N 3.09Å; E540-T544 WeakPolarHBondContact O-CG2 3.47Å; E540-T544 PolarHBondContact O-N 3.4Å
541	Y	95.2	Very high	93.8	Very high	35 Å²	35	53.6 Å²	53.6	14%	0.137	28%	0.278	C	S	.	.	H	α-helix	trans	-55.6	-47.3	178	174.8	-104.8	0	0	0	112.3	F498 M501 R537 A538 R539 L543 T544 L545	F498-Y541 HydrophobicContact CD2-CE1 4.01Å; M501-Y541 HydrophobicContact CB-CD1 4.4Å; M501-Y541 HydrophobicContact CB-CE1 4.21Å; M501-Y541 HydrophobicContact CE-CD1 4.25Å; M501-Y541 HydrophobicContact CE-CG 4.28Å; M501-Y541 HydrophobicContact CG-CD1 3.77Å; M501-Y541 HydrophobicContact CG-CE1 4.07Å; R537-Y541 VanDerWaalsContact O-CB 3.3Å; R537-Y541 WeakPolarHBondContact O-CB 3.46Å; R537-Y541 PolarHBondContact O-N 3.38Å; A538-Y541 PolarHBondContact O-N 2.94Å; R539-Y541 PolarHBondContact O-N 2.98Å; Y541-L543 PolarHBondContact O-N 3.25Å; Y541-T544 PolarHBondContact O-N 2.69Å; Y541-T544 VanDerWaalsContact O-N 3.11Å; Y541-T544 PolarHBondContact O-OG1 2.89Å; Y541-L545 HydrophobicContact CE1-CD2 4.3Å; Y541-L545 HydrophobicContact CE2-CD2 4.46Å
542	L	94.6	Very high	93.7	Very high	3 Å²	3	55 Å²	55	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-34	178.4	-82.3	-178	0	0	0	113.1	I502 M505 A538 R539 E540 L545 V562 F565 V566 I569	I502-L542 HydrophobicContact CD1-CD2 4.14Å; M505-L542 HydrophobicContact CE-CD1 3.98Å; M505-L542 HydrophobicContact CE-CD2 4.26Å; M505-L542 HydrophobicContact CE-CG 4.3Å; M505-L542 HydrophobicContact SD-CD1 3.86Å; M505-L542 HydrophobicContact SD-CG 4.45Å; A538-L542 WeakPolarHBondContact O-CB 3.48Å; A538-L542 VanDerWaalsContact O-CG 3.27Å; A538-L542 WeakPolarHBondContact O-CG 3.22Å; A538-L542 PolarHBondContact O-N 3.08Å; R539-L542 PolarHBondContact O-N 3.17Å; E540-L542 VanDerWaalsContact C-N 3.34Å; E540-L542 PolarHBondContact O-N 3.09Å; L542-L545 HydrophobicContact CD2-CD1 4.08Å; L542-V562 HydrophobicContact CB-CG1 3.96Å; L542-V562 WeakPolarHBondContact O-CG1 3.27Å; L542-F565 HydrophobicContact CD1-CB 3.7Å; L542-V566 HydrophobicContact CD1-CG2 4.45Å; L542-I569 HydrophobicContact CD1-CD1 4.43Å
543	L	93.6	Very high	93.5	Very high	27 Å²	27	50.3 Å²	50.3	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-77.5	-20.9	179.8	-63.4	175.9	0	0	0	113.4	P379 R539 E540 Y541 L545 H554 V566	P379-L543 HydrophobicContact CB-CD2 3.73Å; P379-L543 HydrophobicContact CG-CD2 4.15Å; P379-L543 WeakPolarHBondContact O-CD1 3.47Å; R539-L543 WeakPolarHBondContact O-CG 3.41Å; R539-L543 PolarHBondContact O-N 3.38Å; E540-L543 PolarHBondContact O-N 3.06Å; E540-L543 VanDerWaalsContact O-N 3.09Å; Y541-L543 PolarHBondContact O-N 3.25Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L543-H554 HydrophobicContact CD2-CB 4.3Å; L543-V566 HydrophobicContact CD2-CG2 4.15Å
544	T	94.1	Very high	93.2	Very high	59 Å²	59	48.9 Å²	48.9	36%	0.362	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.2	176.7	67	0	0	0	0	114.2	E540 Y541 L546	E540-T544 WeakPolarHBondContact O-CG2 3.47Å; E540-T544 PolarHBondContact O-N 3.4Å; Y541-T544 PolarHBondContact O-N 2.69Å; Y541-T544 VanDerWaalsContact O-N 3.11Å; Y541-T544 PolarHBondContact O-OG1 2.89Å; T544-L546 PolarHBondContact O-N 2.85Å
545	L	94.3	Very high	92.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.28	C	S	.	.			trans	-69.9	130	-175.8	-57.6	-179.9	0	0	0	111.4	I419 T421 I426 F498 Y541 L542 L543 L553	I419-L545 HydrophobicContact CG2-CB 4.22Å; T421-L545 HydrophobicContact CG2-CD2 3.54Å; I426-L545 HydrophobicContact CD1-CD2 3.99Å; F498-L545 HydrophobicContact CD2-CD1 4.43Å; F498-L545 HydrophobicContact CE2-CD1 3.93Å; Y541-L545 HydrophobicContact CE1-CD2 4.3Å; Y541-L545 HydrophobicContact CE2-CD2 4.46Å; L542-L545 HydrophobicContact CD2-CD1 4.08Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L545-L553 HydrophobicContact CB-CB 4.01Å; L545-L553 HydrophobicContact CB-CD2 3.92Å; L545-L553 HydrophobicContact CD1-CD2 4Å; L545-L553 VanDerWaalsContact O-CB 3.3Å; L545-L553 WeakPolarHBondContact O-CB 3.4Å; L545-L553 PolarHBondContact O-N 2.7Å
546	L	94.5	Very high	92.6	Very high	61 Å²	61	57 Å²	57	32%	0.319	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-119.3	145.5	179.7	-55.9	178.4	0	0	0	111.2	I419 A420 T544 T551 P552	I419-L546 VanDerWaalsContact CG2-O 3.25Å; I419-L546 WeakPolarHBondContact CG2-O 3.46Å; A420-L546 HydrophobicContact CB-CB 4.2Å; A420-L546 PolarHBondContact N-O 3Å; A420-L546 PolarHBondContact O-N 3.24Å; T544-L546 PolarHBondContact O-N 2.85Å; L546-T551 WeakPolarHBondContact CA-O 3.4Å; L546-P552 HydrophobicContact CD2-CB 4.18Å; L546-P552 HydrophobicContact CD2-CG 4.07Å
547	T	92.4	Very high	92.3	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.055	31%	0.313	C	S	.	.			trans	-68.6	168.1	167.1	65.7	0	0	0	0	110.5	Y416 D549 G550 T551 L553	Y416-T547 HydrophobicContact CD2-CG2 4.47Å; Y416-T547 HydrophobicContact CG-CG2 4.47Å; T547-D549 PolarHBondContact O-N 2.74Å; T547-D549 VanDerWaalsContact O-N 3.13Å; T547-D549 PolarHBondContact OG1-N 3.1Å; T547-G550 PolarHBondContact O-N 3.12Å; T547-T551 PolarHBondContact N-O 3.35Å; T547-T551 WeakPolarHBondContact OG1-CB 3.49Å; T547-T551 PolarHBondContact OG1-N 2.72Å; T547-T551 PolarHBondContact OG1-O 2.83Å; T547-L553 HydrophobicContact CG2-CD1 3.98Å
548	K	86.3	Confident	92.1	Very high	166 Å²	166	61.7 Å²	61.7	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.8	173	-172.2	-177.2	177.3	-172.4	0	112.8	G550	K548-G550 PolarHBondContact O-N 3.14Å
549	D	87.1	Confident	91.9	Very high	142 Å²	142	64.9 Å²	64.9	76%	0.759	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	7.1	-179.5	-45.6	-45.4	0	0	0	112.9	T547 T551	T547-D549 PolarHBondContact O-N 2.74Å; T547-D549 VanDerWaalsContact O-N 3.13Å; T547-D549 PolarHBondContact OG1-N 3.1Å; D549-T551 PolarHBondContact O-N 2.66Å
550	G	87.6	Confident	91.7	Very high	45 Å²	45	64.7 Å²	64.7	46%	0.464	32%	0.315	S	S	.	.	S	Bend	trans	76.9	4.4	-179	0	0	0	0	0	114.6	T547 K548	T547-G550 PolarHBondContact O-N 3.12Å; K548-G550 PolarHBondContact O-N 3.14Å
551	T	91.3	Very high	91.6	Very high	63 Å²	63	59 Å²	59	39%	0.387	29%	0.289	S	S	.	.			trans	-76.5	132.5	177.7	-57.5	0	0	0	0	110	L546 T547 D549 L553	L546-T551 WeakPolarHBondContact CA-O 3.4Å; T547-T551 PolarHBondContact N-O 3.35Å; T547-T551 WeakPolarHBondContact OG1-CB 3.49Å; T547-T551 PolarHBondContact OG1-N 2.72Å; T547-T551 PolarHBondContact OG1-O 2.83Å; D549-T551 PolarHBondContact O-N 2.66Å; T551-L553 PolarHBondContact O-N 2.77Å
552	P	92.7	Very high	91.5	Very high	36 Å²	36	57.3 Å²	57.3	23%	0.234	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-58	131.3	174.1	-23.7	33.1	0	0	0	112	L546 H554 R555 S556	L546-P552 HydrophobicContact CD2-CB 4.18Å; L546-P552 HydrophobicContact CD2-CG 4.07Å; P552-H554 WeakPolarHBondContact CB-CE1 3.49Å; P552-H554 PolarHBondContact O-N 3.17Å; P552-R555 HydrophobicContact CB-CG 4.39Å; P552-R555 PolarHBondContact O-N 3.34Å; P552-S556 PolarHBondContact O-N 3.36Å
553	L	92.3	Very high	91.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-62.8	-32	-172.1	-169.1	65.4	0	0	0	112.1	M412 Y416 L545 T547 T551 R555 S556 Y559 V562	M412-L553 HydrophobicContact CE-CD2 3.67Å; M412-L553 HydrophobicContact CG-CD1 4.09Å; M412-L553 HydrophobicContact CG-CD2 4.26Å; M412-L553 HydrophobicContact SD-CD1 3.97Å; M412-L553 HydrophobicContact SD-CD2 3.51Å; M412-L553 VanDerWaalsContact SD-CD2 3.51Å; M412-L553 HydrophobicContact SD-CG 4.28Å; Y416-L553 HydrophobicContact CD2-CD1 3.6Å; Y416-L553 HydrophobicContact CE2-CD1 4.06Å; L545-L553 HydrophobicContact CB-CB 4.01Å; L545-L553 HydrophobicContact CB-CD2 3.92Å; L545-L553 HydrophobicContact CD1-CD2 4Å; L545-L553 VanDerWaalsContact O-CB 3.3Å; L545-L553 WeakPolarHBondContact O-CB 3.4Å; L545-L553 PolarHBondContact O-N 2.7Å; T547-L553 HydrophobicContact CG2-CD1 3.98Å; T551-L553 PolarHBondContact O-N 2.77Å; L553-R555 PolarHBondContact O-N 2.97Å; L553-S556 VanDerWaalsContact O-CB 3.31Å; L553-S556 WeakPolarHBondContact O-CB 3.34Å; L553-S556 PolarHBondContact O-N 3.46Å; L553-S556 VanDerWaalsContact O-N 3.1Å; L553-S556 PolarHBondContact O-OG 3.14Å; L553-Y559 WeakPolarHBondContact O-CA 3.39Å; L553-V562 HydrophobicContact CB-CG2 4.2Å; L553-V562 HydrophobicContact CD2-CG2 3.52Å; L553-V562 HydrophobicContact CG-CG2 3.75Å
554	H	90.2	Very high	91.5	Very high	21 Å²	21	56.4 Å²	56.4	10%	0.097	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.9	-5.8	173.6	70.8	-99.5	0	0	0	114.3	P379 L543 P552 Y559 V562 I563	P379-H554 VanDerWaalsContact CG-CD2 3.44Å; P379-H554 WeakPolarHBondContact CG-CD2 3.31Å; L543-H554 HydrophobicContact CD2-CB 4.3Å; P552-H554 WeakPolarHBondContact CB-CE1 3.49Å; P552-H554 PolarHBondContact O-N 3.17Å; H554-Y559 VanDerWaalsContact O-CB 3.23Å; H554-Y559 WeakPolarHBondContact O-CB 3.12Å; H554-V562 HydrophobicContact CB-CB 4.48Å; H554-V562 HydrophobicContact CB-CG1 4.1Å; H554-I563 HydrophobicContact CB-CD1 3.85Å; H554-I563 HydrophobicContact CB-CG1 4.09Å
555	R	90.1	Very high	91.5	Very high	169 Å²	169	53.6 Å²	53.6	64%	0.638	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-113.5	-1.1	171.8	-56.3	-174.2	-177.8	-172.6	-5.5	112.9	P552 L553	P552-R555 HydrophobicContact CB-CG 4.39Å; P552-R555 PolarHBondContact O-N 3.34Å; L553-R555 PolarHBondContact O-N 2.97Å
556	S	91.7	Very high	91.6	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	26%	0.26	C	S	.	.	S	Bend	trans	-73.9	172.2	-178.1	75.1	0	0	0	0	112.5	P552 L553 R558 Y559	P552-S556 PolarHBondContact O-N 3.36Å; L553-S556 VanDerWaalsContact O-CB 3.31Å; L553-S556 WeakPolarHBondContact O-CB 3.34Å; L553-S556 PolarHBondContact O-N 3.46Å; L553-S556 VanDerWaalsContact O-N 3.1Å; L553-S556 PolarHBondContact O-OG 3.14Å; S556-R558 PolarHBondContact O-N 3Å; S556-R558 VanDerWaalsContact O-N 3.07Å; S556-R558 PolarHBondContact OG-N 2.92Å; S556-Y559 VanDerWaalsContact O-CB 3.31Å; S556-Y559 WeakPolarHBondContact O-CB 3.49Å; S556-Y559 WeakPolarHBondContact O-CD1 3.18Å; S556-Y559 PolarHBondContact O-N 3.43Å; S556-Y559 PolarHBondContact OG-N 3.15Å
557	K	89.4	Confident	91.7	Very high	200 Å²	200	50.7 Å²	50.7	87%	0.87	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.8	171.7	-63.3	-176.7	178.5	179.2	0	113.1
558	R	90.6	Very high	91.8	Very high	96 Å²	96	50.3 Å²	50.3	36%	0.362	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	26.8	176.6	-54.4	-179.3	174.2	-101.9	4.2	112.6	M412 Y416 S556 L560 S561	M412-R558 HydrophobicContact CB-CB 4.35Å; M412-R558 HydrophobicContact CG-CB 4.22Å; Y416-R558 HydrophobicContact CE2-CB 3.75Å; Y416-R558 HydrophobicContact CE2-CG 3.74Å; S556-R558 PolarHBondContact O-N 3Å; S556-R558 VanDerWaalsContact O-N 3.07Å; S556-R558 PolarHBondContact OG-N 2.92Å; R558-L560 PolarHBondContact O-N 2.83Å; R558-S561 WeakPolarHBondContact O-CB 3.43Å; R558-S561 PolarHBondContact O-N 3.15Å; R558-S561 VanDerWaalsContact O-N 3.1Å; R558-S561 PolarHBondContact O-OG 2.9Å
559	Y	91.7	Very high	92.3	Very high	67 Å²	67	42.4 Å²	42.4	26%	0.263	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-34.4	-177.7	72.3	-82.3	0	0	0	114.3	L553 H554 S556 S561 V562 I563	L553-Y559 WeakPolarHBondContact O-CA 3.39Å; H554-Y559 VanDerWaalsContact O-CB 3.23Å; H554-Y559 WeakPolarHBondContact O-CB 3.12Å; S556-Y559 VanDerWaalsContact O-CB 3.31Å; S556-Y559 WeakPolarHBondContact O-CB 3.49Å; S556-Y559 WeakPolarHBondContact O-CD1 3.18Å; S556-Y559 PolarHBondContact O-N 3.43Å; S556-Y559 PolarHBondContact OG-N 3.15Å; Y559-S561 PolarHBondContact O-N 3.05Å; Y559-S561 VanDerWaalsContact O-N 3.16Å; Y559-V562 PolarHBondContact O-N 3.05Å; Y559-I563 HydrophobicContact CD2-CB 4.03Å; Y559-I563 HydrophobicContact CD2-CG1 3.9Å; Y559-I563 HydrophobicContact CD2-CG2 4.47Å; Y559-I563 PolarHBondContact O-N 2.87Å
560	L	92.1	Very high	92.7	Very high	21 Å²	21	36 Å²	36	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-26.4	-175.6	-167.2	62.5	0	0	0	113.4	G360 I365 M400 M405 L408 R558 V562 G564	G360-L560 WeakPolarHBondContact O-CD2 3.22Å; I365-L560 HydrophobicContact CD1-CD1 3.75Å; I365-L560 HydrophobicContact CD1-CD2 4.23Å; M400-L560 HydrophobicContact CE-CD1 4.31Å; M405-L560 HydrophobicContact CE-CG 4.47Å; M405-L560 HydrophobicContact SD-CG 4.36Å; L408-L560 HydrophobicContact CD1-CB 4.23Å; L408-L560 HydrophobicContact CD1-CD2 3.85Å; L408-L560 HydrophobicContact CD1-CG 3.97Å; R558-L560 PolarHBondContact O-N 2.83Å; L560-V562 PolarHBondContact O-N 3.22Å; L560-G564 PolarHBondContact O-N 2.92Å
561	S	90.9	Very high	93.1	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-18.9	173.3	63.1	0	0	0	0	114	T409 M412 R558 Y559	T409-S561 PolarHBondContact OG1-O 3.01Å; T409-S561 VanDerWaalsContact OG1-O 3.11Å; M412-S561 WeakPolarHBondContact CG-OG 3.49Å; R558-S561 WeakPolarHBondContact O-CB 3.43Å; R558-S561 PolarHBondContact O-N 3.15Å; R558-S561 VanDerWaalsContact O-N 3.1Å; R558-S561 PolarHBondContact O-OG 2.9Å; Y559-S561 PolarHBondContact O-N 3.05Å; Y559-S561 VanDerWaalsContact O-N 3.16Å
562	V	93.3	Very high	93.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-106.5	-56.3	176.7	179.1	0	0	0	0	109.2	L542 L553 H554 Y559 L560 G564 F565 V566	L542-V562 HydrophobicContact CB-CG1 3.96Å; L542-V562 WeakPolarHBondContact O-CG1 3.27Å; L553-V562 HydrophobicContact CB-CG2 4.2Å; L553-V562 HydrophobicContact CD2-CG2 3.52Å; L553-V562 HydrophobicContact CG-CG2 3.75Å; H554-V562 HydrophobicContact CB-CB 4.48Å; H554-V562 HydrophobicContact CB-CG1 4.1Å; Y559-V562 PolarHBondContact O-N 3.05Å; L560-V562 PolarHBondContact O-N 3.22Å; V562-G564 VanDerWaalsContact C-N 3.27Å; V562-G564 PolarHBondContact O-N 3.28Å; V562-F565 PolarHBondContact O-N 3.5Å; V562-F565 VanDerWaalsContact O-N 3.09Å; V562-V566 PolarHBondContact O-N 2.83Å; V562-V566 VanDerWaalsContact O-N 3.08Å
563	I	93.7	Very high	93.5	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-36.2	-176.3	-69.8	-59.9	0	0	0	112	P379 H554 Y559 F565 V566 I567	P379-I563 HydrophobicContact CB-CD1 3.8Å; P379-I563 HydrophobicContact CG-CD1 4.25Å; H554-I563 HydrophobicContact CB-CD1 3.85Å; H554-I563 HydrophobicContact CB-CG1 4.09Å; Y559-I563 HydrophobicContact CD2-CB 4.03Å; Y559-I563 HydrophobicContact CD2-CG1 3.9Å; Y559-I563 HydrophobicContact CD2-CG2 4.47Å; Y559-I563 PolarHBondContact O-N 2.87Å; I563-F565 VanDerWaalsContact C-N 3.34Å; I563-F565 PolarHBondContact O-N 2.95Å; I563-V566 WeakPolarHBondContact O-CB 3.45Å; I563-V566 PolarHBondContact O-N 2.92Å; I563-V566 VanDerWaalsContact O-N 3.14Å; I563-I567 HydrophobicContact CG2-CD1 3.75Å; I563-I567 HydrophobicContact CG2-CG1 4.17Å; I563-I567 VanDerWaalsContact O-CG1 3.31Å; I563-I567 WeakPolarHBondContact O-CG1 3.45Å; I563-I567 PolarHBondContact O-N 3.19Å
564	G	94.5	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-35.4	177.7	0	0	0	0	0	113.6	M405 L560 V562 N568	M405-G564 VanDerWaalsContact SD-CA 3.59Å; L560-G564 PolarHBondContact O-N 2.92Å; V562-G564 VanDerWaalsContact C-N 3.27Å; V562-G564 PolarHBondContact O-N 3.28Å; G564-N568 VanDerWaalsContact O-CG 3.32Å; G564-N568 PolarHBondContact O-N 3.08Å; G564-N568 VanDerWaalsContact O-N 3.14Å
565	F	95.6	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.2	-37.2	170.8	-83.1	-65.9	0	0	0	111.9	M405 T409 M509 L542 V562 I563 N568 I569	M405-F565 HydrophobicContact CB-CD1 4.49Å; M405-F565 HydrophobicContact CB-CD2 3.96Å; M405-F565 HydrophobicContact CB-CE1 4.16Å; M405-F565 HydrophobicContact CB-CE2 3.59Å; M405-F565 HydrophobicContact CB-CG 4.4Å; M405-F565 HydrophobicContact CB-CZ 3.7Å; T409-F565 WeakPolarHBondContact OG1-CE2 3.46Å; M509-F565 HydrophobicContact CE-CD1 3.97Å; M509-F565 HydrophobicContact SD-CD1 3.71Å; M509-F565 HydrophobicContact SD-CE1 3.93Å; L542-F565 HydrophobicContact CD1-CB 3.7Å; V562-F565 PolarHBondContact O-N 3.5Å; V562-F565 VanDerWaalsContact O-N 3.09Å; I563-F565 VanDerWaalsContact C-N 3.34Å; I563-F565 PolarHBondContact O-N 2.95Å; F565-N568 PolarHBondContact O-N 2.95Å; F565-I569 VanDerWaalsContact O-CG1 3.24Å; F565-I569 WeakPolarHBondContact O-CG1 3.01Å; F565-I569 PolarHBondContact O-N 2.97Å
566	V	95.7	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-44.8	174.9	175	0	0	0	0	111.2	L383 R539 L542 L543 V562 I563 N568 I569 D570	L383-V566 HydrophobicContact CD1-CG1 4Å; L383-V566 HydrophobicContact CG-CG1 4.49Å; R539-V566 HydrophobicContact CG-CG1 4.24Å; R539-V566 HydrophobicContact CG-CG2 4.48Å; L542-V566 HydrophobicContact CD1-CG2 4.45Å; L543-V566 HydrophobicContact CD2-CG2 4.15Å; V562-V566 PolarHBondContact O-N 2.83Å; V562-V566 VanDerWaalsContact O-N 3.08Å; I563-V566 WeakPolarHBondContact O-CB 3.45Å; I563-V566 PolarHBondContact O-N 2.92Å; I563-V566 VanDerWaalsContact O-N 3.14Å; V566-N568 VanDerWaalsContact C-N 3.31Å; V566-N568 PolarHBondContact O-N 3.41Å; V566-I569 PolarHBondContact O-N 3.4Å; V566-D570 WeakPolarHBondContact O-CB 3.4Å; V566-D570 PolarHBondContact O-N 3.05Å
567	I	95.8	Very high	94.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-46.4	174	-69.9	165.6	0	0	0	110.5	L375 L383 T385 M400 I563 I569 D570 T571	L375-I567 HydrophobicContact CB-CD1 3.98Å; L375-I567 HydrophobicContact CD1-CD1 4.45Å; L375-I567 HydrophobicContact CD2-CD1 4.08Å; L375-I567 HydrophobicContact CD2-CG1 4.19Å; L375-I567 HydrophobicContact CD2-CG2 4.19Å; L375-I567 HydrophobicContact CG-CD1 4.39Å; L383-I567 HydrophobicContact CD1-CG1 3.83Å; T385-I567 HydrophobicContact CG2-CB 4.32Å; T385-I567 HydrophobicContact CG2-CG1 4.47Å; T385-I567 HydrophobicContact CG2-CG2 3.88Å; M400-I567 HydrophobicContact CG-CB 4.27Å; M400-I567 HydrophobicContact CG-CD1 4.28Å; M400-I567 HydrophobicContact CG-CG2 3.97Å; I563-I567 HydrophobicContact CG2-CD1 3.75Å; I563-I567 HydrophobicContact CG2-CG1 4.17Å; I563-I567 VanDerWaalsContact O-CG1 3.31Å; I563-I567 WeakPolarHBondContact O-CG1 3.45Å; I563-I567 PolarHBondContact O-N 3.19Å; I567-I569 PolarHBondContact O-N 2.7Å; I567-D570 PolarHBondContact O-N 2.86Å; I567-T571 VanDerWaalsContact O-CB 3.27Å; I567-T571 WeakPolarHBondContact O-CB 3.44Å; I567-T571 PolarHBondContact O-N 2.84Å; I567-T571 PolarHBondContact O-OG1 3.14Å
568	N	96.3	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-40.9	178.2	-72.8	-8.6	0	0	0	112.4	M399 M400 M509 G564 F565 V566 L572	M399-N568 HydrophobicContact CE-CB 4.42Å; M400-N568 PolarHBondContact N-OD1 3.26Å; M400-N568 PolarHBondContact O-ND2 2.83Å; M400-N568 PolarHBondContact O-OD1 3.14Å; M509-N568 HydrophobicContact CE-CB 3.74Å; M509-N568 HydrophobicContact SD-CB 3.7Å; G564-N568 VanDerWaalsContact O-CG 3.32Å; G564-N568 PolarHBondContact O-N 3.08Å; G564-N568 VanDerWaalsContact O-N 3.14Å; F565-N568 PolarHBondContact O-N 2.95Å; V566-N568 VanDerWaalsContact C-N 3.31Å; V566-N568 PolarHBondContact O-N 3.41Å; N568-L572 WeakPolarHBondContact O-CB 3.34Å; N568-L572 WeakPolarHBondContact O-CG 3.18Å; N568-L572 PolarHBondContact O-N 3.09Å
569	I	96.6	Very high	94.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-54	176.6	-70.5	163.8	0	0	0	110.2	M505 M509 L535 A538 R539 L542 F565 V566 I567 T571 L572 L573	M505-I569 HydrophobicContact SD-CD1 4.09Å; M509-I569 HydrophobicContact CE-CD1 4.45Å; M509-I569 HydrophobicContact CE-CG1 3.6Å; L535-I569 HydrophobicContact CB-CG2 3.96Å; L535-I569 HydrophobicContact CD2-CG1 4.02Å; A538-I569 HydrophobicContact CB-CD1 4.41Å; R539-I569 HydrophobicContact CB-CD1 4.05Å; R539-I569 HydrophobicContact CB-CG2 4.07Å; L542-I569 HydrophobicContact CD1-CD1 4.43Å; F565-I569 VanDerWaalsContact O-CG1 3.24Å; F565-I569 WeakPolarHBondContact O-CG1 3.01Å; F565-I569 PolarHBondContact O-N 2.97Å; V566-I569 PolarHBondContact O-N 3.4Å; I567-I569 PolarHBondContact O-N 2.7Å; I569-T571 PolarHBondContact O-N 2.93Å; I569-L572 PolarHBondContact O-N 2.82Å; I569-L572 VanDerWaalsContact O-N 3.14Å; I569-L573 HydrophobicContact CG2-CD1 3.79Å; I569-L573 HydrophobicContact CG2-CG 4.2Å; I569-L573 VanDerWaalsContact O-CG 3.28Å; I569-L573 WeakPolarHBondContact O-CG 3.2Å; I569-L573 PolarHBondContact O-N 2.85Å
570	D	95.7	Very high	94.5	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-59.9	-39.1	-177.8	-72.2	-10.8	0	0	0	110.8	L383 T385 R539 V566 I567 L573 L574	L383-D570 PolarHBondContact N-OD2 3.25Å; T385-D570 HydrophobicContact CG2-CB 4.13Å; R539-D570 WeakPolarHBondContact CD-OD1 3.41Å; R539-D570 IonicContact CZ-OD1 3.66Å; R539-D570 IonicContact CZ-OD2 3.65Å; R539-D570 IonicContact NE-OD1 2.74Å; R539-D570 PolarHBondContact NE-OD1 3.38Å; R539-D570 IonicContact NE-OD2 3.37Å; R539-D570 PolarHBondContact NE-OD2 3.11Å; R539-D570 IonicContact NH2-OD1 3.73Å; R539-D570 IonicContact NH2-OD2 2.97Å; R539-D570 PolarHBondContact NH2-OD2 3.4Å; V566-D570 WeakPolarHBondContact O-CB 3.4Å; V566-D570 PolarHBondContact O-N 3.05Å; I567-D570 PolarHBondContact O-N 2.86Å; D570-L573 PolarHBondContact O-N 3.1Å; D570-L574 WeakPolarHBondContact O-CG 3.34Å; D570-L574 PolarHBondContact O-N 3.41Å
571	T	96.1	Very high	94.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-47.1	174.6	-57.4	0	0	0	0	112.9	T385 F397 V398 M399 I567 I569 L573 L574 M575	T385-T571 WeakPolarHBondContact CB-OG1 3.46Å; T385-T571 PolarHBondContact OG1-OG1 2.92Å; F397-T571 HydrophobicContact CB-CG2 3.78Å; F397-T571 HydrophobicContact CD1-CG2 4.15Å; F397-T571 HydrophobicContact CG-CG2 4.26Å; V398-T571 PolarHBondContact O-OG1 3.19Å; M399-T571 HydrophobicContact CG-CG2 3.6Å; M399-T571 HydrophobicContact SD-CG2 4.35Å; I567-T571 VanDerWaalsContact O-CB 3.27Å; I567-T571 WeakPolarHBondContact O-CB 3.44Å; I567-T571 PolarHBondContact O-N 2.84Å; I567-T571 PolarHBondContact O-OG1 3.14Å; I569-T571 PolarHBondContact O-N 2.93Å; T571-L573 VanDerWaalsContact C-N 3.31Å; T571-L573 PolarHBondContact O-N 2.88Å; T571-L574 PolarHBondContact O-N 3.19Å; T571-M575 WeakPolarHBondContact O-CB 3.4Å; T571-M575 PolarHBondContact O-N 2.87Å
572	L	96.1	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-37.2	178.7	-72.1	169.2	0	0	0	111.8	M399 M509 M523 W528 N568 I569 L574 M575 I576 T588	M399-L572 HydrophobicContact CE-CD1 4.38Å; M399-L572 HydrophobicContact CE-CD2 4.12Å; M399-L572 HydrophobicContact CE-CG 4.14Å; M399-L572 HydrophobicContact SD-CD2 4.39Å; M509-L572 HydrophobicContact CE-CD1 4.39Å; M509-L572 HydrophobicContact CG-CD1 3.86Å; M523-L572 HydrophobicContact CE-CD1 4.29Å; W528-L572 WeakPolarHBondContact CH2-O 3.37Å; N568-L572 WeakPolarHBondContact O-CB 3.34Å; N568-L572 WeakPolarHBondContact O-CG 3.18Å; N568-L572 PolarHBondContact O-N 3.09Å; I569-L572 PolarHBondContact O-N 2.82Å; I569-L572 VanDerWaalsContact O-N 3.14Å; L572-L574 PolarHBondContact O-N 3.19Å; L572-M575 HydrophobicContact CD2-CE 4.12Å; L572-I576 HydrophobicContact CB-CG1 4.24Å; L572-I576 HydrophobicContact CD2-CD1 3.97Å; L572-I576 HydrophobicContact CD2-CG1 3.9Å; L572-I576 VanDerWaalsContact O-CB 3.27Å; L572-I576 WeakPolarHBondContact O-CB 3.38Å; L572-I576 WeakPolarHBondContact O-CG1 3.34Å; L572-I576 PolarHBondContact O-N 2.7Å; L572-T588 HydrophobicContact CD2-CG2 4.02Å
573	L	95.5	Very high	94	Very high	35 Å²	35	31.4 Å²	31.4	18%	0.183	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-32.2	177.2	-72.2	177.9	0	0	0	112.9	W528 K532 L535 I569 D570 T571 P577	W528-L573 HydrophobicContact CH2-CD2 4.21Å; W528-L573 HydrophobicContact CZ2-CD2 4.48Å; K532-L573 HydrophobicContact CB-CD2 4.29Å; K532-L573 HydrophobicContact CG-CD2 3.79Å; L535-L573 HydrophobicContact CB-CD2 4.4Å; L535-L573 HydrophobicContact CD1-CD2 4.5Å; I569-L573 HydrophobicContact CG2-CD1 3.79Å; I569-L573 HydrophobicContact CG2-CG 4.2Å; I569-L573 VanDerWaalsContact O-CG 3.28Å; I569-L573 WeakPolarHBondContact O-CG 3.2Å; I569-L573 PolarHBondContact O-N 2.85Å; D570-L573 PolarHBondContact O-N 3.1Å; T571-L573 VanDerWaalsContact C-N 3.31Å; T571-L573 PolarHBondContact O-N 2.88Å; L573-P577 WeakPolarHBondContact O-CD 3.2Å; L573-P577 WeakPolarHBondContact O-CG 3.27Å
574	L	94.4	Very high	93.9	Very high	80 Å²	80	40.5 Å²	40.5	42%	0.419	20%	0.197	S	C	.	.	H	α-helix	trans	-86.5	-46.1	176.9	-64.9	173.4	0	0	0	112.5	F397 D570 T571 L572	F397-L574 HydrophobicContact CE1-CB 3.73Å; F397-L574 HydrophobicContact CE1-CD1 4.46Å; F397-L574 HydrophobicContact CZ-CB 4.36Å; D570-L574 WeakPolarHBondContact O-CG 3.34Å; D570-L574 PolarHBondContact O-N 3.41Å; T571-L574 PolarHBondContact O-N 3.19Å; L572-L574 PolarHBondContact O-N 3.19Å
575	M	95	Very high	93.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-77.1	-40.4	-170.3	-176.8	179.1	63.5	0	0	113.1	C355 F397 M399 T571 L572 E578 L579 F591	C355-M575 HydrophobicContact CB-SD 4.05Å; F397-M575 HydrophobicContact CB-SD 4.31Å; F397-M575 HydrophobicContact CD1-CB 4.32Å; F397-M575 HydrophobicContact CD2-CB 4.01Å; F397-M575 HydrophobicContact CD2-CG 3.83Å; F397-M575 HydrophobicContact CD2-SD 4.07Å; F397-M575 HydrophobicContact CE1-CB 4.32Å; F397-M575 HydrophobicContact CE2-CB 4Å; F397-M575 HydrophobicContact CE2-CG 4Å; F397-M575 HydrophobicContact CG-CB 4.17Å; F397-M575 HydrophobicContact CG-CG 4.35Å; F397-M575 HydrophobicContact CG-SD 4.33Å; F397-M575 HydrophobicContact CZ-CB 4.16Å; M399-M575 HydrophobicContact SD-CE 3.92Å; T571-M575 WeakPolarHBondContact O-CB 3.4Å; T571-M575 PolarHBondContact O-N 2.87Å; L572-M575 HydrophobicContact CD2-CE 4.12Å; M575-E578 PolarHBondContact O-N 3.22Å; M575-L579 HydrophobicContact CE-CD1 4.43Å; M575-L579 HydrophobicContact CG-CD1 3.77Å; M575-L579 HydrophobicContact CG-CG 4.09Å; M575-L579 WeakPolarHBondContact O-CG 3.43Å; M575-L579 PolarHBondContact O-N 3.29Å; M575-L579 HydrophobicContact SD-CD1 4.23Å; M575-F591 HydrophobicContact CE-CD1 4.44Å; M575-F591 HydrophobicContact CE-CD2 4.07Å; M575-F591 HydrophobicContact CE-CE1 4.06Å; M575-F591 HydrophobicContact CE-CE2 3.67Å; M575-F591 HydrophobicContact CE-CG 4.45Å; M575-F591 HydrophobicContact CE-CZ 3.66Å; M575-F591 HydrophobicContact SD-CE1 4.2Å; M575-F591 HydrophobicContact SD-CZ 4.14Å
576	I	95.1	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-42.7	-173.3	-62.3	-70.1	0	0	0	112.9	M523 W528 L572 E578 L579 L580 V586	M523-I576 HydrophobicContact CB-CG2 4.23Å; M523-I576 HydrophobicContact SD-CB 4.49Å; M523-I576 HydrophobicContact SD-CD1 3.67Å; M523-I576 HydrophobicContact SD-CG1 3.67Å; M523-I576 HydrophobicContact SD-CG2 4.18Å; W528-I576 HydrophobicContact CD2-CG2 4.03Å; W528-I576 HydrophobicContact CE3-CB 4.16Å; W528-I576 HydrophobicContact CE3-CG2 3.47Å; W528-I576 VanDerWaalsContact CE3-CG2 3.47Å; W528-I576 HydrophobicContact CH2-CB 3.64Å; W528-I576 HydrophobicContact CH2-CG1 4.26Å; W528-I576 HydrophobicContact CH2-CG2 3.91Å; W528-I576 HydrophobicContact CZ2-CB 4.27Å; W528-I576 HydrophobicContact CZ2-CG2 4.41Å; W528-I576 HydrophobicContact CZ3-CB 3.58Å; W528-I576 HydrophobicContact CZ3-CG1 4.03Å; W528-I576 HydrophobicContact CZ3-CG2 3.42Å; W528-I576 VanDerWaalsContact CZ3-CG2 3.42Å; L572-I576 HydrophobicContact CB-CG1 4.24Å; L572-I576 HydrophobicContact CD2-CD1 3.97Å; L572-I576 HydrophobicContact CD2-CG1 3.9Å; L572-I576 VanDerWaalsContact O-CB 3.27Å; L572-I576 WeakPolarHBondContact O-CB 3.38Å; L572-I576 WeakPolarHBondContact O-CG1 3.34Å; L572-I576 PolarHBondContact O-N 2.7Å; I576-E578 VanDerWaalsContact C-N 3.31Å; I576-E578 PolarHBondContact O-N 3.49Å; I576-L579 PolarHBondContact O-N 3.13Å; I576-L580 HydrophobicContact CG2-CD1 3.67Å; I576-L580 HydrophobicContact CG2-CG 3.94Å; I576-L580 WeakPolarHBondContact O-CB 3.34Å; I576-L580 VanDerWaalsContact O-CG 3.3Å; I576-L580 WeakPolarHBondContact O-CG 3.4Å; I576-L580 PolarHBondContact O-N 3.39Å; I576-V586 HydrophobicContact CD1-CB 3.86Å; I576-V586 HydrophobicContact CD1-CG1 3.69Å; I576-V586 HydrophobicContact CD1-CG2 4.02Å
577	P	94.5	Very high	93.7	Very high	47 Å²	47	45.8 Å²	45.8	31%	0.305	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-41.3	174.1	-25.8	35	0	0	0	113.7	W528 L573 L580 Q581	W528-P577 HydrophobicContact CZ2-CG 3.57Å; L573-P577 WeakPolarHBondContact O-CD 3.2Å; L573-P577 WeakPolarHBondContact O-CG 3.27Å; P577-L580 PolarHBondContact O-N 2.94Å; P577-Q581 WeakPolarHBondContact O-CG 3.24Å
578	E	92.3	Very high	93.6	Very high	74 Å²	74	45.8 Å²	45.8	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-43.1	177.4	-65.2	-177	-176.8	0	0	110.7	M575 I576 Q581	M575-E578 PolarHBondContact O-N 3.22Å; I576-E578 VanDerWaalsContact C-N 3.31Å; I576-E578 PolarHBondContact O-N 3.49Å; E578-Q581 WeakPolarHBondContact O-CB 3.29Å; E578-Q581 PolarHBondContact O-N 3.22Å
579	L	92.1	Very high	93.5	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-41.4	178	-70.4	-177.5	0	0	0	112.8	L354 M575 I576 Q581 V582 Q583 V586 F591	L354-L579 HydrophobicContact CD1-CD2 3.69Å; L354-L579 HydrophobicContact CD2-CD2 4.37Å; M575-L579 HydrophobicContact CE-CD1 4.43Å; M575-L579 HydrophobicContact CG-CD1 3.77Å; M575-L579 HydrophobicContact CG-CG 4.09Å; M575-L579 WeakPolarHBondContact O-CG 3.43Å; M575-L579 PolarHBondContact O-N 3.29Å; M575-L579 HydrophobicContact SD-CD1 4.23Å; I576-L579 PolarHBondContact O-N 3.13Å; L579-Q581 PolarHBondContact O-N 3.14Å; L579-Q581 VanDerWaalsContact O-N 3.14Å; L579-V582 PolarHBondContact O-N 3.22Å; L579-Q583 HydrophobicContact CB-CG 4.35Å; L579-Q583 WeakPolarHBondContact O-CG 3.41Å; L579-Q583 PolarHBondContact O-N 3.44Å; L579-V586 HydrophobicContact CB-CG2 3.78Å; L579-V586 HydrophobicContact CD1-CG1 4.1Å; L579-V586 HydrophobicContact CD1-CG2 4.06Å; L579-F591 HydrophobicContact CD1-CZ 4.01Å
580	L	93.2	Very high	93.2	Very high	24 Å²	24	52.6 Å²	52.6	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-11.5	-178.9	-69.5	178.2	0	0	0	114.1	W528 I576 P577 V582 Q583 V586	W528-L580 HydrophobicContact CB-CD1 4.1Å; W528-L580 HydrophobicContact CD2-CD1 4.48Å; W528-L580 HydrophobicContact CG-CD1 4.15Å; I576-L580 HydrophobicContact CG2-CD1 3.67Å; I576-L580 HydrophobicContact CG2-CG 3.94Å; I576-L580 WeakPolarHBondContact O-CB 3.34Å; I576-L580 VanDerWaalsContact O-CG 3.3Å; I576-L580 WeakPolarHBondContact O-CG 3.4Å; I576-L580 PolarHBondContact O-N 3.39Å; P577-L580 PolarHBondContact O-N 2.94Å; L580-V582 VanDerWaalsContact C-N 3.33Å; L580-Q583 WeakPolarHBondContact CA-O 3.25Å; L580-V586 HydrophobicContact CD2-CG2 4.16Å
581	Q	90.2	Very high	93.1	Very high	165 Å²	165	53 Å²	53	77%	0.771	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.6	170.7	-66.8	174.4	12.6	0	0	112.3	P577 E578 L579	P577-Q581 WeakPolarHBondContact O-CG 3.24Å; E578-Q581 WeakPolarHBondContact O-CB 3.29Å; E578-Q581 PolarHBondContact O-N 3.22Å; L579-Q581 PolarHBondContact O-N 3.14Å; L579-Q581 VanDerWaalsContact O-N 3.14Å
582	V	87.1	Confident	92.9	Very high	120 Å²	120	53 Å²	53	73%	0.727	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-32.2	-174.2	-172.5	0	0	0	0	111.8	L579 L580	L579-V582 PolarHBondContact O-N 3.22Å; L580-V582 VanDerWaalsContact C-N 3.33Å
583	Q	88.9	Confident	92.7	Very high	79 Å²	79	53.4 Å²	53.4	37%	0.369	25%	0.249	S	C	.	.			trans	-122.3	147.8	-177.5	48.6	177.6	-31.4	0	0	112.9	L579 L580 Y585 V586	L579-Q583 HydrophobicContact CB-CG 4.35Å; L579-Q583 WeakPolarHBondContact O-CG 3.41Å; L579-Q583 PolarHBondContact O-N 3.44Å; L580-Q583 WeakPolarHBondContact CA-O 3.25Å; Q583-Y585 VanDerWaalsContact C-N 3.3Å; Q583-Y585 PolarHBondContact O-N 3.24Å; Q583-Y585 PolarHBondContact OE1-O 3Å; Q583-V586 HydrophobicContact CG-CG2 4.34Å
584	R	91.6	Very high	92.5	Very high	202 Å²	202	53.3 Å²	53.3	76%	0.762	25%	0.249	S	C	*	.	S	Bend	trans	-62.3	-35.4	180	-177.6	177	177.2	177.8	1.5	113.1	W526	W526-R584 HydrophobicContact CZ3-CG 4.24Å; W526-R584 WeakPolarHBondContact CZ3-O 3.29Å
585	Y	93.9	Very high	92.3	Very high	85 Å²	85	49.7 Å²	49.7	33%	0.333	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.4	-177.7	67.5	-94.1	0	0	0	111.6	P514 P522 M523 W526 Q583 L587	P514-Y585 HydrophobicContact CB-CE2 4.27Å; P514-Y585 HydrophobicContact CG-CE2 4.22Å; P522-Y585 HydrophobicContact CB-CD2 3.71Å; P522-Y585 HydrophobicContact CB-CG 4.21Å; P522-Y585 HydrophobicContact CG-CD2 4.26Å; M523-Y585 CarbonylContact O-C 3.59Å; M523-Y585 WeakPolarHBondContact O-CA 3.5Å; M523-Y585 WeakPolarHBondContact O-CB 3.31Å; W526-Y585 HydrophobicContact CH2-CG 4.47Å; Q583-Y585 VanDerWaalsContact C-N 3.3Å; Q583-Y585 PolarHBondContact O-N 3.24Å; Q583-Y585 PolarHBondContact OE1-O 3Å; Y585-L587 HydrophobicContact CD2-CG 4.17Å; Y585-L587 HydrophobicContact CE2-CD1 4.07Å; Y585-L587 HydrophobicContact CE2-CD2 4.31Å; Y585-L587 HydrophobicContact CE2-CG 3.84Å
586	V	93.3	Very high	92.1	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.3	179.1	-174.2	0	0	0	0	110.2	M523 I576 L579 L580 Q583 F591	M523-V586 PolarHBondContact N-O 2.98Å; M523-V586 PolarHBondContact O-N 2.93Å; I576-V586 HydrophobicContact CD1-CB 3.86Å; I576-V586 HydrophobicContact CD1-CG1 3.69Å; I576-V586 HydrophobicContact CD1-CG2 4.02Å; L579-V586 HydrophobicContact CB-CG2 3.78Å; L579-V586 HydrophobicContact CD1-CG1 4.1Å; L579-V586 HydrophobicContact CD1-CG2 4.06Å; L580-V586 HydrophobicContact CD2-CG2 4.16Å; Q583-V586 HydrophobicContact CG-CG2 4.34Å; V586-F591 HydrophobicContact CG1-CE2 3.78Å; V586-F591 HydrophobicContact CG1-CZ 4.26Å
587	L	93.9	Very high	91.9	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	24%	0.244	C	C	.	.			trans	-96.4	105.2	170.5	-69.1	170.9	0	0	0	109.5	P514 P522 Y585 Y589 R590	P514-L587 HydrophobicContact CG-CD1 4.29Å; P514-L587 HydrophobicContact CG-CD2 4.49Å; P522-L587 HydrophobicContact CB-CD2 3.92Å; Y585-L587 HydrophobicContact CD2-CG 4.17Å; Y585-L587 HydrophobicContact CE2-CD1 4.07Å; Y585-L587 HydrophobicContact CE2-CD2 4.31Å; Y585-L587 HydrophobicContact CE2-CG 3.84Å; L587-Y589 PolarHBondContact O-N 3.27Å; L587-Y589 VanDerWaalsContact O-N 3.17Å; L587-R590 HydrophobicContact CB-CG 4.15Å; L587-R590 WeakPolarHBondContact O-CB 3.09Å; L587-R590 WeakPolarHBondContact O-CG 3.33Å; L587-R590 PolarHBondContact O-N 3.37Å
588	T	93.6	Very high	91.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.8	-176.6	47.3	0	0	0	0	113.4	T508 M509 N510 A511 M523 L572 R590 F591	T508-T588 WeakPolarHBondContact O-CG2 3.4Å; T508-T588 PolarHBondContact O-OG1 3.02Å; M509-T588 WeakPolarHBondContact O-CB 3.41Å; M509-T588 PolarHBondContact O-OG1 3.04Å; N510-T588 PolarHBondContact N-OG1 3.02Å; A511-T588 WeakPolarHBondContact CB-OG1 3.46Å; A511-T588 PolarHBondContact N-OG1 3.34Å; M523-T588 HydrophobicContact CE-CG2 3.94Å; M523-T588 HydrophobicContact SD-CG2 4.01Å; L572-T588 HydrophobicContact CD2-CG2 4.02Å; T588-R590 PolarHBondContact O-N 2.96Å; T588-R590 VanDerWaalsContact O-N 3.11Å; T588-F591 PolarHBondContact O-N 2.78Å
589	Y	93.9	Very high	91.6	Very high	34 Å²	34	52.6 Å²	52.6	13%	0.133	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.3	171.9	179.3	-113.4	0	0	0	114.4	N510 A511 R512 L587 F591 S592 D594 H595	N510-Y589 VanDerWaalsContact OD1-CD2 3.25Å; N510-Y589 WeakPolarHBondContact OD1-CD2 3.2Å; A511-Y589 WeakPolarHBondContact O-CB 3.4Å; A511-Y589 PolarHBondContact O-N 2.93Å; R512-Y589 HydrophobicContact CB-CD1 4.48Å; R512-Y589 HydrophobicContact CB-CG 4.44Å; R512-Y589 HydrophobicContact CG-CD1 4.01Å; R512-Y589 HydrophobicContact CG-CD2 3.92Å; R512-Y589 HydrophobicContact CG-CG 3.62Å; R512-Y589 VanDerWaalsContact NH2-CE2 3.27Å; L587-Y589 PolarHBondContact O-N 3.27Å; L587-Y589 VanDerWaalsContact O-N 3.17Å; Y589-F591 PolarHBondContact O-N 3.21Å; Y589-S592 PolarHBondContact O-N 3.4Å; Y589-D594 HydrophobicContact CE2-CB 3.66Å; Y589-D594 WeakPolarHBondContact CE2-OD2 3.3Å; Y589-H595 AromaticContact CD1-CE1 3.91Å; Y589-H595 AromaticContact CD1-NE2 3.89Å; Y589-H595 AromaticContact CE1-CE1 3.38Å; Y589-H595 WeakPolarHBondContact CE1-CE1 3.35Å; Y589-H595 AromaticContact CE1-NE2 3.67Å; Y589-H595 AromaticContact CZ-CE1 3.93Å; Y589-H595 PolarHBondContact O-NE2 3.23Å
590	R	91.9	Very high	91.6	Very high	109 Å²	109	51.9 Å²	51.9	41%	0.411	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-68.4	-16.9	174.8	-63.1	-63.2	-175.6	178	1.6	112.8	V316 L587 T588	V316-R590 HydrophobicContact CG1-CB 4.39Å; V316-R590 VanDerWaalsContact CG1-O 3.24Å; V316-R590 WeakPolarHBondContact CG1-O 3.46Å; L587-R590 HydrophobicContact CB-CG 4.15Å; L587-R590 WeakPolarHBondContact O-CB 3.09Å; L587-R590 WeakPolarHBondContact O-CG 3.33Å; L587-R590 PolarHBondContact O-N 3.37Å; T588-R590 PolarHBondContact O-N 2.96Å; T588-R590 VanDerWaalsContact O-N 3.11Å
591	F	93.2	Very high	91.4	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.066	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-102.2	20.1	175.5	-46.2	-70.8	0	0	0	112.6	A270 C355 T357 M399 M575 L579 V586 T588 Y589	A270-F591 HydrophobicContact CB-CD1 3.79Å; A270-F591 HydrophobicContact CB-CE1 4.19Å; C355-F591 HydrophobicContact CB-CD1 4.1Å; C355-F591 HydrophobicContact CB-CE1 4.27Å; T357-F591 WeakPolarHBondContact CG2-O 3.37Å; T357-F591 PolarHBondContact OG1-O 3.4Å; T357-F591 VanDerWaalsContact OG1-O 3.06Å; M399-F591 HydrophobicContact CE-CB 4.42Å; M399-F591 HydrophobicContact SD-CB 3.74Å; M399-F591 HydrophobicContact SD-CD2 4.23Å; M399-F591 HydrophobicContact SD-CG 3.99Å; M575-F591 HydrophobicContact CE-CD1 4.44Å; M575-F591 HydrophobicContact CE-CD2 4.07Å; M575-F591 HydrophobicContact CE-CE1 4.06Å; M575-F591 HydrophobicContact CE-CE2 3.67Å; M575-F591 HydrophobicContact CE-CG 4.45Å; M575-F591 HydrophobicContact CE-CZ 3.66Å; M575-F591 HydrophobicContact SD-CE1 4.2Å; M575-F591 HydrophobicContact SD-CZ 4.14Å; L579-F591 HydrophobicContact CD1-CZ 4.01Å; V586-F591 HydrophobicContact CG1-CE2 3.78Å; V586-F591 HydrophobicContact CG1-CZ 4.26Å; T588-F591 PolarHBondContact O-N 2.78Å; Y589-F591 PolarHBondContact O-N 3.21Å
592	S	91.6	Very high	91.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	23%	0.229	C	C	.	.	S	Bend	trans	-100.5	142.9	179.1	174.7	0	0	0	0	111.6	I272 D401 Y589 D594 H595	I272-S592 WeakPolarHBondContact CD1-O 3.08Å; D401-S592 PolarHBondContact OD1-OG 3.49Å; Y589-S592 PolarHBondContact O-N 3.4Å; S592-D594 PolarHBondContact O-N 2.88Å; S592-D594 VanDerWaalsContact O-N 3.11Å; S592-D594 PolarHBondContact OG-N 3.23Å; S592-H595 PolarHBondContact O-CD2 2.84Å; S592-H595 VanDerWaalsContact O-CD2 3.28Å
593	Q	91.8	Very high	91.3	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.033	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.2	173.8	-74.8	-177.6	-39	0	0	114.1	I272 L273 T357 M358 D401 H595 L596 E597	I272-Q593 HydrophobicContact CG2-CB 4.3Å; I272-Q593 HydrophobicContact CG2-CG 3.77Å; L273-Q593 PolarHBondContact O-NE2 3.04Å; T357-Q593 HydrophobicContact CG2-CG 3.91Å; M358-Q593 VanDerWaalsContact CA-NE2 3.27Å; D401-Q593 HydrophobicContact CB-CB 4.07Å; D401-Q593 HydrophobicContact CB-CG 3.84Å; Q593-H595 PolarHBondContact O-N 3.4Å; Q593-L596 PolarHBondContact O-N 3.44Å; Q593-E597 PolarHBondContact O-N 2.86Å; Q593-E597 VanDerWaalsContact O-N 3.1Å
594	D	90.3	Very high	91.4	Very high	33 Å²	33	42.6 Å²	42.6	18%	0.176	19%	0.19	C	C	.	.	H	α-helix	trans	-51.1	-33.7	177.7	-84.2	11.2	0	0	0	112.7	C403 R512 Y589 S592 L596 E597 L598	C403-D594 PolarHBondContact SG-OD1 3.04Å; R512-D594 IonicContact CZ-OD2 3.74Å; R512-D594 IonicContact NH2-OD2 3.12Å; R512-D594 PolarHBondContact NH2-OD2 3.14Å; Y589-D594 HydrophobicContact CE2-CB 3.66Å; Y589-D594 WeakPolarHBondContact CE2-OD2 3.3Å; S592-D594 PolarHBondContact O-N 2.88Å; S592-D594 VanDerWaalsContact O-N 3.11Å; S592-D594 PolarHBondContact OG-N 3.23Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 3.38Å; D594-E597 PolarHBondContact O-N 3.28Å; D594-L598 VanDerWaalsContact O-CG 3.28Å; D594-L598 WeakPolarHBondContact O-CG 3.37Å; D594-L598 PolarHBondContact O-N 3.36Å
595	H	90.6	Very high	91.1	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-39.5	177.5	-60.5	-76.6	0	0	0	112.3	M314 V316 Q319 Y589 S592 Q593 L599	M314-H595 HydrophobicContact CE-CB 4.15Å; M314-H595 HydrophobicContact SD-CB 4.31Å; V316-H595 HydrophobicContact CG2-CB 3.84Å; Q319-H595 PolarHBondContact NE2-ND1 3.25Å; Q319-H595 VanDerWaalsContact NE2-ND1 3.11Å; Y589-H595 AromaticContact CD1-CE1 3.91Å; Y589-H595 AromaticContact CD1-NE2 3.89Å; Y589-H595 AromaticContact CE1-CE1 3.38Å; Y589-H595 WeakPolarHBondContact CE1-CE1 3.35Å; Y589-H595 AromaticContact CE1-NE2 3.67Å; Y589-H595 AromaticContact CZ-CE1 3.93Å; Y589-H595 PolarHBondContact O-NE2 3.23Å; S592-H595 PolarHBondContact O-CD2 2.84Å; S592-H595 VanDerWaalsContact O-CD2 3.28Å; Q593-H595 PolarHBondContact O-N 3.4Å; H595-L599 PolarHBondContact O-N 3.05Å
596	L	91.9	Very high	90.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.8	-35.3	179.2	-171.2	56.6	0	0	0	111.2	I272 D274 M312 M314 Q593 D594 L598 L599 F600	I272-L596 HydrophobicContact CG2-CB 4.07Å; I272-L596 HydrophobicContact CG2-CD2 4.07Å; D274-L596 HydrophobicContact CB-CD2 3.43Å; D274-L596 VanDerWaalsContact CB-CD2 3.43Å; D274-L596 HydrophobicContact CB-CG 4.28Å; D274-L596 VanDerWaalsContact N-CD2 3.29Å; M312-L596 HydrophobicContact CB-CD1 4Å; M312-L596 HydrophobicContact CB-CD2 4.4Å; M312-L596 HydrophobicContact CE-CD1 4.34Å; M314-L596 HydrophobicContact CB-CD1 3.92Å; M314-L596 HydrophobicContact SD-CB 4.36Å; M314-L596 HydrophobicContact SD-CD1 4.07Å; Q593-L596 PolarHBondContact O-N 3.44Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 3.38Å; L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 3.05Å; L596-L599 HydrophobicContact CD1-CB 4.49Å; L596-L599 HydrophobicContact CD1-CD2 4.03Å; L596-L599 CarbonylContact O-C 3.59Å; L596-L599 WeakPolarHBondContact O-CA 3.42Å; L596-L599 VanDerWaalsContact O-CB 3.3Å; L596-L599 WeakPolarHBondContact O-CB 3.31Å; L596-L599 PolarHBondContact O-N 3.26Å; L596-L599 VanDerWaalsContact O-N 3.08Å; L596-F600 HydrophobicContact CD1-CE1 3.98Å; L596-F600 HydrophobicContact CD1-CZ 4.12Å; L596-F600 HydrophobicContact CD2-CE2 4.46Å; L596-F600 HydrophobicContact CD2-CZ 4.01Å; L596-F600 HydrophobicContact CG-CE1 4.04Å; L596-F600 HydrophobicContact CG-CE2 4.03Å; L596-F600 HydrophobicContact CG-CZ 3.69Å; L596-F600 WeakPolarHBondContact O-CG 3.33Å; L596-F600 PolarHBondContact O-N 3.42Å
597	E	90.3	Very high	89.8	Confident	65 Å²	65	36.5 Å²	36.5	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-64	-36.3	172.5	-77	-77.9	-153.9	0	0	112.7	Q593 D594 L599 F600 N601 R604	Q593-E597 PolarHBondContact O-N 2.86Å; Q593-E597 VanDerWaalsContact O-N 3.1Å; D594-E597 PolarHBondContact O-N 3.28Å; E597-L599 VanDerWaalsContact C-N 3.28Å; E597-L599 PolarHBondContact O-N 3.18Å; E597-F600 PolarHBondContact O-N 3.39Å; E597-N601 WeakPolarHBondContact O-CB 3.31Å; E597-N601 PolarHBondContact O-N 2.96Å; E597-N601 PolarHBondContact O-ND2 2.88Å; E597-R604 IonicContact OE2-NH1 3.1Å
598	L	89.9	Confident	89.2	Confident	98 Å²	98	38 Å²	38	51%	0.513	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-36.6	171.5	-71.2	171.5	0	0	0	111.8	D594 L596 S602	D594-L598 VanDerWaalsContact O-CG 3.28Å; D594-L598 WeakPolarHBondContact O-CG 3.37Å; D594-L598 PolarHBondContact O-N 3.36Å; L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 3.05Å; L598-S602 PolarHBondContact O-N 2.87Å; L598-S602 PolarHBondContact O-OG 3.3Å
599	L	90.4	Very high	88.6	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-46.5	173.5	-176.2	63.3	0	0	0	111	M312 M314 P321 H595 L596 E597 N601 S602 I603 L625	M312-L599 HydrophobicContact CE-CD2 3.35Å; M312-L599 HydrophobicContact CE-CG 4.31Å; M314-L599 HydrophobicContact SD-CD2 4.34Å; P321-L599 HydrophobicContact CB-CD2 3.81Å; P321-L599 HydrophobicContact CG-CD2 4.13Å; H595-L599 PolarHBondContact O-N 3.05Å; L596-L599 HydrophobicContact CD1-CB 4.49Å; L596-L599 HydrophobicContact CD1-CD2 4.03Å; L596-L599 CarbonylContact O-C 3.59Å; L596-L599 WeakPolarHBondContact O-CA 3.42Å; L596-L599 VanDerWaalsContact O-CB 3.3Å; L596-L599 WeakPolarHBondContact O-CB 3.31Å; L596-L599 PolarHBondContact O-N 3.26Å; L596-L599 VanDerWaalsContact O-N 3.08Å; E597-L599 VanDerWaalsContact C-N 3.28Å; E597-L599 PolarHBondContact O-N 3.18Å; L599-N601 VanDerWaalsContact C-N 3.31Å; L599-N601 PolarHBondContact O-N 3.44Å; L599-S602 WeakPolarHBondContact O-CA 3.23Å; L599-S602 WeakPolarHBondContact O-CB 3.35Å; L599-S602 PolarHBondContact O-N 3.5Å; L599-I603 HydrophobicContact CG-CD1 4.28Å; L599-I603 WeakPolarHBondContact O-CG1 3.36Å; L599-I603 PolarHBondContact O-N 3.26Å; L599-L625 HydrophobicContact CD1-CD1 3.93Å
600	F	91.7	Very high	88.1	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-41.7	175	-64.9	-21.7	0	0	0	112.3	D274 M276 M312 L596 E597 S602 I603 R604	D274-F600 HydrophobicContact CB-CE2 3.93Å; D274-F600 HydrophobicContact CB-CZ 4.15Å; M276-F600 HydrophobicContact CB-CD1 3.91Å; M276-F600 HydrophobicContact CB-CD2 4.23Å; M276-F600 HydrophobicContact CB-CE1 3.84Å; M276-F600 HydrophobicContact CB-CE2 4.13Å; M276-F600 HydrophobicContact CB-CG 4.12Å; M276-F600 HydrophobicContact CB-CZ 3.94Å; M276-F600 HydrophobicContact CG-CD1 4.33Å; M276-F600 HydrophobicContact CG-CG 4.24Å; M276-F600 HydrophobicContact SD-CB 4.04Å; M276-F600 HydrophobicContact SD-CD1 4.07Å; M276-F600 HydrophobicContact SD-CG 4.15Å; M312-F600 HydrophobicContact CB-CE1 3.91Å; M312-F600 HydrophobicContact CB-CZ 4.14Å; M312-F600 HydrophobicContact CG-CE1 3.87Å; M312-F600 HydrophobicContact CG-CZ 4.46Å; L596-F600 HydrophobicContact CD1-CE1 3.98Å; L596-F600 HydrophobicContact CD1-CZ 4.12Å; L596-F600 HydrophobicContact CD2-CE2 4.46Å; L596-F600 HydrophobicContact CD2-CZ 4.01Å; L596-F600 HydrophobicContact CG-CE1 4.04Å; L596-F600 HydrophobicContact CG-CE2 4.03Å; L596-F600 HydrophobicContact CG-CZ 3.69Å; L596-F600 WeakPolarHBondContact O-CG 3.33Å; L596-F600 PolarHBondContact O-N 3.42Å; E597-F600 PolarHBondContact O-N 3.39Å; F600-S602 VanDerWaalsContact C-N 3.29Å; F600-S602 PolarHBondContact O-N 2.91Å; F600-I603 HydrophobicContact CD1-CD1 4.41Å; F600-I603 PolarHBondContact O-N 3.26Å; F600-I603 VanDerWaalsContact O-N 3.17Å; F600-R604 VanDerWaalsContact O-CG 3.29Å; F600-R604 WeakPolarHBondContact O-CG 3.44Å; F600-R604 PolarHBondContact O-N 3.49Å
601	N	89.1	Confident	87.8	Confident	80 Å²	80	51.5 Å²	51.5	43%	0.428	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-37.6	175.1	-70.3	-32.5	0	0	0	112.1	E597 L599 I603 R604 A605	E597-N601 WeakPolarHBondContact O-CB 3.31Å; E597-N601 PolarHBondContact O-N 2.96Å; E597-N601 PolarHBondContact O-ND2 2.88Å; L599-N601 VanDerWaalsContact C-N 3.31Å; L599-N601 PolarHBondContact O-N 3.44Å; N601-I603 VanDerWaalsContact C-N 3.34Å; N601-R604 PolarHBondContact O-N 3.26Å; N601-R604 PolarHBondContact OD1-NH1 3.34Å; N601-A605 WeakPolarHBondContact O-CB 3.39Å; N601-A605 PolarHBondContact O-N 3.44Å
602	S	87.4	Confident	87.7	Confident	38 Å²	38	53.7 Å²	53.7	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-38.6	173.9	-58.4	0	0	0	0	111.9	L598 L599 F600 S606	L598-S602 PolarHBondContact O-N 2.87Å; L598-S602 PolarHBondContact O-OG 3.3Å; L599-S602 WeakPolarHBondContact O-CA 3.23Å; L599-S602 WeakPolarHBondContact O-CB 3.35Å; L599-S602 PolarHBondContact O-N 3.5Å; F600-S602 VanDerWaalsContact C-N 3.29Å; F600-S602 PolarHBondContact O-N 2.91Å; S602-S606 WeakPolarHBondContact O-CB 3.33Å; S602-S606 PolarHBondContact O-N 2.85Å; S602-S606 PolarHBondContact O-OG 3.14Å
603	I	89.2	Confident	87.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-50.8	175.7	-66.9	167.5	0	0	0	110.6	M276 L599 F600 N601 A605 S606 P613 F618 I621 L625	M276-I603 HydrophobicContact CE-CG2 4Å; M276-I603 HydrophobicContact SD-CG2 4.35Å; L599-I603 HydrophobicContact CG-CD1 4.28Å; L599-I603 WeakPolarHBondContact O-CG1 3.36Å; L599-I603 PolarHBondContact O-N 3.26Å; F600-I603 HydrophobicContact CD1-CD1 4.41Å; F600-I603 PolarHBondContact O-N 3.26Å; F600-I603 VanDerWaalsContact O-N 3.17Å; N601-I603 VanDerWaalsContact C-N 3.34Å; I603-A605 VanDerWaalsContact C-N 3.34Å; I603-A605 PolarHBondContact O-N 3.45Å; I603-S606 WeakPolarHBondContact O-CB 3.38Å; I603-S606 PolarHBondContact O-N 2.95Å; I603-P613 HydrophobicContact CG2-CG 4.22Å; I603-F618 HydrophobicContact CD1-CD2 4.41Å; I603-F618 HydrophobicContact CD1-CE2 3.68Å; I603-F618 HydrophobicContact CD1-CZ 4.14Å; I603-F618 HydrophobicContact CG2-CD2 3.91Å; I603-F618 HydrophobicContact CG2-CE2 4.19Å; I603-I621 HydrophobicContact CB-CG2 4.27Å; I603-I621 HydrophobicContact CG1-CG2 4.12Å; I603-I621 HydrophobicContact CG2-CG2 4.12Å; I603-L625 HydrophobicContact CD1-CD1 4.2Å; I603-L625 HydrophobicContact CG1-CD1 3.38Å
604	R	89.4	Confident	87.7	Confident	74 Å²	74	53.5 Å²	53.5	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-42.4	178.3	-65.6	175.9	-171.8	123.3	-0.6	111.7	M276 E597 F600 N601 S606 G607 N611	M276-R604 HydrophobicContact SD-CG 4.22Å; E597-R604 IonicContact OE2-NH1 3.1Å; F600-R604 VanDerWaalsContact O-CG 3.29Å; F600-R604 WeakPolarHBondContact O-CG 3.44Å; F600-R604 PolarHBondContact O-N 3.49Å; N601-R604 PolarHBondContact O-N 3.26Å; N601-R604 PolarHBondContact OD1-NH1 3.34Å; R604-S606 VanDerWaalsContact C-N 3.3Å; R604-S606 PolarHBondContact O-N 3.5Å; R604-G607 PolarHBondContact O-N 3.03Å; R604-N611 WeakPolarHBondContact CG-O 3.29Å
605	A	85.9	Confident	87.8	Confident	71 Å²	71	52 Å²	52	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-66	-31.7	178.4	0	0	0	0	0	112.8	N601 I603 G607 G608	N601-A605 WeakPolarHBondContact O-CB 3.39Å; N601-A605 PolarHBondContact O-N 3.44Å; I603-A605 VanDerWaalsContact C-N 3.34Å; I603-A605 PolarHBondContact O-N 3.45Å; A605-G607 PolarHBondContact O-N 2.66Å; A605-G608 PolarHBondContact O-N 2.9Å
606	S	82.9	Confident	87.7	Confident	60 Å²	60	52.9 Å²	52.9	42%	0.42	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-23.4	178.7	-63.5	0	0	0	0	113.1	S602 I603 R604 G608	S602-S606 WeakPolarHBondContact O-CB 3.33Å; S602-S606 PolarHBondContact O-N 2.85Å; S602-S606 PolarHBondContact O-OG 3.14Å; I603-S606 WeakPolarHBondContact O-CB 3.38Å; I603-S606 PolarHBondContact O-N 2.95Å; R604-S606 VanDerWaalsContact C-N 3.3Å; R604-S606 PolarHBondContact O-N 3.5Å; S606-G608 VanDerWaalsContact C-N 3.26Å; S606-G608 PolarHBondContact O-N 3.02Å
607	G	76.8	Confident	87.6	Confident	32 Å²	32	56.2 Å²	56.2	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.5	173.2	0	0	0	0	0	114.6	R604 A605 W609 N610	R604-G607 PolarHBondContact O-N 3.03Å; A605-G607 PolarHBondContact O-N 2.66Å; G607-W609 PolarHBondContact O-N 2.67Å; G607-N610 WeakPolarHBondContact CA-O 3.46Å; G607-N610 PolarHBondContact O-N 3.48Å
608	G	81.1	Confident	87.7	Confident	55 Å²	55	53.1 Å²	53.1	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-112.3	-176.9	0	0	0	0	0	111.6	A605 S606 N610	A605-G608 PolarHBondContact O-N 2.9Å; S606-G608 VanDerWaalsContact C-N 3.26Å; S606-G608 PolarHBondContact O-N 3.02Å; G608-N610 VanDerWaalsContact C-N 3.26Å
609	W	81.6	Confident	87.7	Confident	269 Å²	269	50.1 Å²	50.1	100%	1.019	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.3	176.1	-65.3	87.3	0	0	0	113.1	G607	G607-W609 PolarHBondContact O-N 2.67Å
610	N	83.2	Confident	87.5	Confident	43 Å²	43	51.2 Å²	51.2	23%	0.23	29%	0.291	C	S	.	.			trans	-94.8	93.8	174.7	-174.8	25	0	0	0	110.5	G607 G608 N612 Q617	G607-N610 WeakPolarHBondContact CA-O 3.46Å; G607-N610 PolarHBondContact O-N 3.48Å; G608-N610 VanDerWaalsContact C-N 3.26Å; N610-N612 VanDerWaalsContact C-N 3.32Å; N610-N612 PolarHBondContact OD1-N 3.27Å; N610-N612 PolarHBondContact OD1-O 3.25Å; N610-Q617 PolarHBondContact ND2-OE1 3.11Å
611	N	86.1	Confident	87.3	Confident	114 Å²	114	52 Å²	52	61%	0.61	30%	0.295	S	S	*	.			trans	-85.5	0.8	179.7	66.1	-6.6	0	0	0	114.2	R604	R604-N611 WeakPolarHBondContact CG-O 3.29Å
612	N	90.1	Very high	87.3	Confident	62 Å²	62	48.3 Å²	48.3	33%	0.332	28%	0.275	S	S	.	.	S	Bend	trans	-126.7	85.7	177.4	-172.6	15.2	0	0	0	109.9	I278 R279 N610	I278-N612 VanDerWaalsContact C-OD1 3.25Å; I278-N612 WeakPolarHBondContact CA-OD1 3.3Å; R279-N612 PolarHBondContact N-OD1 3.26Å; N610-N612 VanDerWaalsContact C-N 3.32Å; N610-N612 PolarHBondContact OD1-N 3.27Å; N610-N612 PolarHBondContact OD1-O 3.25Å
613	P	92.1	Very high	87.2	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.019	27%	0.273	C	S	.	.			trans	-68	149	-175	28.9	-34.3	0	0	0	111.8	M276 I278 R279 I603 Q617	M276-P613 HydrophobicContact CE-CG 3.79Å; I278-P613 WeakPolarHBondContact CB-O 3.49Å; R279-P613 PolarHBondContact N-O 3.09Å; I603-P613 HydrophobicContact CG2-CG 4.22Å; P613-Q617 HydrophobicContact CB-CB 3.84Å
614	S	92.4	Very high	86.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-72.1	166.9	161.7	62.7	0	0	0	0	110.7	C616 Q617 F618	S614-C616 VanDerWaalsContact C-N 3.33Å; S614-C616 PolarHBondContact O-N 3.31Å; S614-Q617 WeakPolarHBondContact O-CB 3.49Å; S614-Q617 PolarHBondContact O-N 2.97Å; S614-Q617 VanDerWaalsContact O-N 3.09Å; S614-Q617 WeakPolarHBondContact OG-CG 3.48Å; S614-F618 WeakPolarHBondContact O-CB 3.38Å; S614-F618 PolarHBondContact O-N 3.02Å
615	A	91.1	Very high	86.5	Confident	2 Å²	2	50.5 Å²	50.5	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-50.7	-50.8	175.4	0	0	0	0	0	112.1	I278 L326 Q617 F618 Q619	I278-A615 HydrophobicContact CD1-CB 4.17Å; L326-A615 HydrophobicContact CD1-CB 3.9Å; L326-A615 HydrophobicContact CD2-CB 4.14Å; A615-Q617 VanDerWaalsContact C-N 3.28Å; A615-Q617 PolarHBondContact O-N 2.92Å; A615-F618 WeakPolarHBondContact O-CA 3.41Å; A615-F618 VanDerWaalsContact O-CB 3.29Å; A615-F618 WeakPolarHBondContact O-CB 3.23Å; A615-F618 PolarHBondContact O-N 2.74Å; A615-Q619 VanDerWaalsContact O-CG 3.3Å; A615-Q619 WeakPolarHBondContact O-CG 3.3Å; A615-Q619 PolarHBondContact O-N 3.21Å
616	C	89	Confident	86.2	Confident	24 Å²	24	47.1 Å²	47.1	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-38.6	-179.8	-35	0	0	0	0	112.7	S292 S614 A620	S292-C616 PolarHBondContact OG-SG 3.35Å; S614-C616 VanDerWaalsContact C-N 3.33Å; S614-C616 PolarHBondContact O-N 3.31Å; C616-A620 WeakPolarHBondContact O-CB 3.35Å; C616-A620 PolarHBondContact O-N 2.87Å; C616-A620 VanDerWaalsContact O-N 3.09Å
617	Q	90	Very high	85.9	Confident	70 Å²	70	44.9 Å²	44.9	33%	0.327	23%	0.234	S	C	.	.	H	α-helix	trans	-68	-41.7	176.3	-70.3	176.1	-28.7	0	0	110.8	N610 P613 S614 A615 A620 I621	N610-Q617 PolarHBondContact ND2-OE1 3.11Å; P613-Q617 HydrophobicContact CB-CB 3.84Å; S614-Q617 WeakPolarHBondContact O-CB 3.49Å; S614-Q617 PolarHBondContact O-N 2.97Å; S614-Q617 VanDerWaalsContact O-N 3.09Å; S614-Q617 WeakPolarHBondContact OG-CG 3.48Å; A615-Q617 VanDerWaalsContact C-N 3.28Å; A615-Q617 PolarHBondContact O-N 2.92Å; Q617-A620 PolarHBondContact O-N 3.37Å; Q617-I621 WeakPolarHBondContact O-CB 3.27Å; Q617-I621 WeakPolarHBondContact O-CD1 3.28Å; Q617-I621 WeakPolarHBondContact O-CG1 3.39Å; Q617-I621 PolarHBondContact O-N 2.74Å
618	F	91.8	Very high	85.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-50.4	174.8	-179.6	-84.8	0	0	0	111	M276 I278 A310 M312 Y324 I603 S614 A615 A620 I621 F622	M276-F618 HydrophobicContact CE-CD2 3.56Å; M276-F618 HydrophobicContact CE-CE2 3.7Å; I278-F618 HydrophobicContact CG2-CD2 4.34Å; A310-F618 HydrophobicContact CB-CD1 4.45Å; A310-F618 HydrophobicContact CB-CD2 4.24Å; A310-F618 HydrophobicContact CB-CE1 4.08Å; A310-F618 HydrophobicContact CB-CE2 3.81Å; A310-F618 HydrophobicContact CB-CZ 3.73Å; M312-F618 HydrophobicContact CG-CZ 4.03Å; M312-F618 HydrophobicContact SD-CE1 4.22Å; M312-F618 HydrophobicContact SD-CZ 3.62Å; Y324-F618 HydrophobicContact CD1-CE1 4.47Å; Y324-F618 HydrophobicContact CD2-CD1 4.13Å; Y324-F618 AromaticContact CD2-CE1 3.53Å; Y324-F618 HydrophobicContact CD2-CE1 3.53Å; Y324-F618 HydrophobicContact CE2-CD1 4.15Å; Y324-F618 AromaticContact CE2-CE1 3.97Å; Y324-F618 HydrophobicContact CE2-CE1 3.97Å; Y324-F618 AromaticContact CG-CE1 3.82Å; Y324-F618 HydrophobicContact CG-CE1 3.82Å; I603-F618 HydrophobicContact CD1-CD2 4.41Å; I603-F618 HydrophobicContact CD1-CE2 3.68Å; I603-F618 HydrophobicContact CD1-CZ 4.14Å; I603-F618 HydrophobicContact CG2-CD2 3.91Å; I603-F618 HydrophobicContact CG2-CE2 4.19Å; S614-F618 WeakPolarHBondContact O-CB 3.38Å; S614-F618 PolarHBondContact O-N 3.02Å; A615-F618 WeakPolarHBondContact O-CA 3.41Å; A615-F618 VanDerWaalsContact O-CB 3.29Å; A615-F618 WeakPolarHBondContact O-CB 3.23Å; A615-F618 PolarHBondContact O-N 2.74Å; F618-A620 PolarHBondContact O-N 3.32Å; F618-I621 PolarHBondContact O-N 2.92Å; F618-I621 VanDerWaalsContact O-N 3.16Å; F618-F622 HydrophobicContact CE1-CB 4.36Å; F618-F622 HydrophobicContact CE1-CD2 4.45Å; F618-F622 VanDerWaalsContact O-CB 3.31Å; F618-F622 WeakPolarHBondContact O-CB 3.38Å; F618-F622 PolarHBondContact O-N 2.84Å
619	Q	89.8	Confident	85.2	Confident	34 Å²	34	49 Å²	49	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-48.7	178.2	-62.3	-175.9	-40.5	0	0	111.7	Y324 A615 I621 F622 R623	Y324-Q619 HydrophobicContact CE2-CG 4.27Å; Y324-Q619 VanDerWaalsContact OH-CG 3.23Å; Y324-Q619 WeakPolarHBondContact OH-CG 3.49Å; Y324-Q619 PolarHBondContact OH-NE2 2.96Å; A615-Q619 VanDerWaalsContact O-CG 3.3Å; A615-Q619 WeakPolarHBondContact O-CG 3.3Å; A615-Q619 PolarHBondContact O-N 3.21Å; Q619-I621 VanDerWaalsContact C-N 3.3Å; Q619-I621 PolarHBondContact O-N 3.1Å; Q619-F622 PolarHBondContact O-N 3.35Å; Q619-R623 WeakPolarHBondContact O-CB 3.27Å; Q619-R623 PolarHBondContact O-N 3.33Å
620	A	86.4	Confident	84.5	Confident	43 Å²	43	37.8 Å²	37.8	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-34	178.5	0	0	0	0	0	113.3	C616 Q617 F618 R624	C616-A620 WeakPolarHBondContact O-CB 3.35Å; C616-A620 PolarHBondContact O-N 2.87Å; C616-A620 VanDerWaalsContact O-N 3.09Å; Q617-A620 PolarHBondContact O-N 3.37Å; F618-A620 PolarHBondContact O-N 3.32Å; A620-R624 WeakPolarHBondContact O-CG 3.37Å
621	I	88.3	Confident	83.6	Confident	17 Å²	17	36 Å²	36	9%	0.087	19%	0.185	C	C	.	.	H	α-helix	trans	-74	-44.5	175.3	-68	162.9	0	0	0	110.2	I603 Q617 F618 Q619 R623 R624 L625	I603-I621 HydrophobicContact CB-CG2 4.27Å; I603-I621 HydrophobicContact CG1-CG2 4.12Å; I603-I621 HydrophobicContact CG2-CG2 4.12Å; Q617-I621 WeakPolarHBondContact O-CB 3.27Å; Q617-I621 WeakPolarHBondContact O-CD1 3.28Å; Q617-I621 WeakPolarHBondContact O-CG1 3.39Å; Q617-I621 PolarHBondContact O-N 2.74Å; F618-I621 PolarHBondContact O-N 2.92Å; F618-I621 VanDerWaalsContact O-N 3.16Å; Q619-I621 VanDerWaalsContact C-N 3.3Å; Q619-I621 PolarHBondContact O-N 3.1Å; I621-R623 PolarHBondContact O-N 3.24Å; I621-R624 WeakPolarHBondContact O-CB 3.38Å; I621-R624 PolarHBondContact O-N 3.15Å; I621-R624 VanDerWaalsContact O-N 3.07Å; I621-L625 HydrophobicContact CG2-CD1 3.88Å; I621-L625 HydrophobicContact CG2-CG 4.34Å; I621-L625 WeakPolarHBondContact O-CG 3.41Å; I621-L625 PolarHBondContact O-N 3.35Å
622	F	88.6	Confident	82.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-51.2	177.2	-175.3	-96	0	0	0	110.4	M312 P321 Y324 F618 Q619 R624 L625 M626	M312-F622 HydrophobicContact CE-CD2 4.08Å; M312-F622 HydrophobicContact CE-CE2 3.71Å; M312-F622 HydrophobicContact SD-CD2 4.08Å; M312-F622 HydrophobicContact SD-CE2 3.8Å; P321-F622 HydrophobicContact CB-CE2 3.82Å; P321-F622 HydrophobicContact CB-CZ 4.16Å; P321-F622 HydrophobicContact CG-CE2 4.14Å; P321-F622 HydrophobicContact CG-CZ 4.39Å; Y324-F622 AromaticContact CD1-CD1 3.74Å; Y324-F622 HydrophobicContact CD1-CD1 3.74Å; Y324-F622 HydrophobicContact CD1-CD2 4.22Å; Y324-F622 AromaticContact CD1-CE1 3.6Å; Y324-F622 HydrophobicContact CD1-CE1 3.6Å; Y324-F622 HydrophobicContact CD1-CE2 4.09Å; Y324-F622 HydrophobicContact CD1-CG 4.05Å; Y324-F622 AromaticContact CD1-CZ 3.79Å; Y324-F622 HydrophobicContact CD1-CZ 3.79Å; Y324-F622 AromaticContact CE1-CD1 3.69Å; Y324-F622 HydrophobicContact CE1-CD1 3.69Å; Y324-F622 AromaticContact CE1-CE1 3.86Å; Y324-F622 HydrophobicContact CE1-CE1 3.86Å; Y324-F622 HydrophobicContact CE1-CG 4.21Å; F618-F622 HydrophobicContact CE1-CB 4.36Å; F618-F622 HydrophobicContact CE1-CD2 4.45Å; F618-F622 VanDerWaalsContact O-CB 3.31Å; F618-F622 WeakPolarHBondContact O-CB 3.38Å; F618-F622 PolarHBondContact O-N 2.84Å; Q619-F622 PolarHBondContact O-N 3.35Å; F622-R624 PolarHBondContact O-N 2.94Å; F622-R624 VanDerWaalsContact O-N 3.1Å; F622-L625 WeakPolarHBondContact O-CA 3.5Å; F622-L625 WeakPolarHBondContact O-CB 3.48Å; F622-L625 PolarHBondContact O-N 3.4Å; F622-M626 HydrophobicContact CD1-CG 3.88Å; F622-M626 HydrophobicContact CD1-SD 4.3Å; F622-M626 HydrophobicContact CE1-CE 3.74Å; F622-M626 HydrophobicContact CE1-CG 3.68Å; F622-M626 HydrophobicContact CE1-SD 3.54Å; F622-M626 VanDerWaalsContact CE1-SD 3.54Å; F622-M626 HydrophobicContact CE2-SD 4.26Å; F622-M626 HydrophobicContact CG-CG 4.49Å; F622-M626 HydrophobicContact CZ-CE 4.09Å; F622-M626 HydrophobicContact CZ-CG 4.15Å; F622-M626 HydrophobicContact CZ-SD 3.51Å; F622-M626 VanDerWaalsContact CZ-SD 3.51Å; F622-M626 WeakPolarHBondContact O-CG 3.4Å; F622-M626 PolarHBondContact O-N 3.46Å
623	R	86.3	Confident	80.5	Confident	60 Å²	60	33.1 Å²	33.1	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-47.4	-41.9	173.1	-170.2	-168.9	-69.7	-141.3	0.7	113.5	L238 V241 D243 Q619 I621	L238-R623 VanDerWaalsContact O-CD 3.28Å; L238-R623 WeakPolarHBondContact O-CD 3.49Å; L238-R623 PolarHBondContact O-NH1 2.87Å; V241-R623 HydrophobicContact CB-CG 3.98Å; V241-R623 HydrophobicContact CG1-CG 4.14Å; D243-R623 HydrophobicContact CB-CB 3.69Å; D243-R623 HydrophobicContact CB-CG 3.96Å; D243-R623 VanDerWaalsContact CG-CZ 3.41Å; D243-R623 IonicContact OD1-CZ 3.67Å; D243-R623 IonicContact OD1-NE 2.76Å; D243-R623 IonicContact OD1-NH2 3.9Å; D243-R623 PolarHBondContact OD1-NH2 3.03Å; D243-R623 IonicContact OD2-CZ 3.53Å; D243-R623 IonicContact OD2-NE 3.79Å; D243-R623 PolarHBondContact OD2-NE 2.93Å; D243-R623 IonicContact OD2-NH2 3.71Å; D243-R623 PolarHBondContact OD2-NH2 3.26Å; Q619-R623 WeakPolarHBondContact O-CB 3.27Å; Q619-R623 PolarHBondContact O-N 3.33Å; I621-R623 PolarHBondContact O-N 3.24Å
624	R	81.3	Confident	80	Confident	93 Å²	93	34.6 Å²	34.6	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-73.6	-36.7	178.6	-67.9	174.6	-178.9	-170.7	4	112.7	L211 L238 A620 I621 F622 M626 V627	L211-R624 HydrophobicContact CD1-CB 4.03Å; L238-R624 HydrophobicContact CD1-CG 3.95Å; L238-R624 HydrophobicContact CD2-CG 4.38Å; A620-R624 WeakPolarHBondContact O-CG 3.37Å; I621-R624 WeakPolarHBondContact O-CB 3.38Å; I621-R624 PolarHBondContact O-N 3.15Å; I621-R624 VanDerWaalsContact O-N 3.07Å; F622-R624 PolarHBondContact O-N 2.94Å; F622-R624 VanDerWaalsContact O-N 3.1Å; R624-M626 VanDerWaalsContact C-N 3.28Å; R624-V627 PolarHBondContact O-N 3.41Å
625	L	81.6	Confident	79.3	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-68	-31	177.8	-69.7	169.3	0	0	0	111.7	L599 I603 I621 F622 V627 R628 C629	L599-L625 HydrophobicContact CD1-CD1 3.93Å; I603-L625 HydrophobicContact CD1-CD1 4.2Å; I603-L625 HydrophobicContact CG1-CD1 3.38Å; I621-L625 HydrophobicContact CG2-CD1 3.88Å; I621-L625 HydrophobicContact CG2-CG 4.34Å; I621-L625 WeakPolarHBondContact O-CG 3.41Å; I621-L625 PolarHBondContact O-N 3.35Å; F622-L625 WeakPolarHBondContact O-CA 3.5Å; F622-L625 WeakPolarHBondContact O-CB 3.48Å; F622-L625 PolarHBondContact O-N 3.4Å; L625-V627 VanDerWaalsContact C-N 3.31Å; L625-V627 PolarHBondContact O-N 3.23Å; L625-R628 VanDerWaalsContact O-CB 3.24Å; L625-R628 WeakPolarHBondContact O-CB 3.41Å; L625-R628 PolarHBondContact O-N 2.91Å; L625-C629 PolarHBondContact O-N 2.75Å
626	M	80.8	Confident	78.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-39.2	178.1	-64.7	-75.1	-82.6	0	0	112.4	V241 N248 M251 P321 F622 R624 R628 C629 V631	V241-M626 HydrophobicContact CG1-CB 4.14Å; N248-M626 HydrophobicContact CB-CE 3.79Å; N248-M626 WeakPolarHBondContact ND2-CE 3.44Å; N248-M626 WeakPolarHBondContact OD1-CE 3.41Å; M251-M626 HydrophobicContact CB-CE 4.27Å; M251-M626 HydrophobicContact CG-CE 2.98Å; M251-M626 HydrophobicContact CG-SD 3.63Å; M251-M626 HydrophobicContact SD-CE 3.7Å; M251-M626 HydrophobicContact SD-SD 3.67Å; M251-M626 VanDerWaalsContact SD-SD 3.67Å; P321-M626 HydrophobicContact CG-SD 3.92Å; F622-M626 HydrophobicContact CD1-CG 3.88Å; F622-M626 HydrophobicContact CD1-SD 4.3Å; F622-M626 HydrophobicContact CE1-CE 3.74Å; F622-M626 HydrophobicContact CE1-CG 3.68Å; F622-M626 HydrophobicContact CE1-SD 3.54Å; F622-M626 VanDerWaalsContact CE1-SD 3.54Å; F622-M626 HydrophobicContact CE2-SD 4.26Å; F622-M626 HydrophobicContact CG-CG 4.49Å; F622-M626 HydrophobicContact CZ-CE 4.09Å; F622-M626 HydrophobicContact CZ-CG 4.15Å; F622-M626 HydrophobicContact CZ-SD 3.51Å; F622-M626 VanDerWaalsContact CZ-SD 3.51Å; F622-M626 WeakPolarHBondContact O-CG 3.4Å; F622-M626 PolarHBondContact O-N 3.46Å; R624-M626 VanDerWaalsContact C-N 3.28Å; M626-R628 VanDerWaalsContact C-N 3.28Å; M626-R628 PolarHBondContact O-N 3.06Å; M626-C629 WeakPolarHBondContact O-CB 3.25Å; M626-C629 PolarHBondContact O-N 3.04Å; M626-V631 PolarHBondContact O-N 3.14Å
627	V	76.7	Confident	78	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-38.3	173.4	179.2	0	0	0	0	111.8	L207 L238 V241 R624 L625 C629 G630 V631	L207-V627 HydrophobicContact CB-CG1 3.92Å; L207-V627 HydrophobicContact CD1-CG1 3.77Å; L207-V627 HydrophobicContact CG-CG1 4.44Å; L238-V627 HydrophobicContact CD2-CG2 3.56Å; V241-V627 HydrophobicContact CG2-CG2 4.04Å; R624-V627 PolarHBondContact O-N 3.41Å; L625-V627 VanDerWaalsContact C-N 3.31Å; L625-V627 PolarHBondContact O-N 3.23Å; V627-C629 PolarHBondContact O-N 3.22Å; V627-G630 PolarHBondContact O-N 3.32Å; V627-G630 VanDerWaalsContact O-N 3.07Å; V627-V631 WeakPolarHBondContact CA-O 3.15Å
628	R	72.9	Confident	77.3	Confident	140 Å²	140	37.2 Å²	37.2	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-30.7	175.7	-170.1	-175.7	174.1	-175.7	-2.7	112.4	L211 L625 M626 G630	L211-R628 HydrophobicContact CD2-CB 3.64Å; L211-R628 HydrophobicContact CD2-CG 4.02Å; L625-R628 VanDerWaalsContact O-CB 3.24Å; L625-R628 WeakPolarHBondContact O-CB 3.41Å; L625-R628 PolarHBondContact O-N 2.91Å; M626-R628 VanDerWaalsContact C-N 3.28Å; M626-R628 PolarHBondContact O-N 3.06Å; R628-G630 PolarHBondContact O-N 3.16Å
629	C	70.1	Confident	76.3	Confident	35 Å²	35	39.7 Å²	39.7	24%	0.236	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.5	177.6	-62.2	0	0	0	0	113.2	M251 M254 L625 M626 V627	M251-C629 HydrophobicContact CE-CB 3.98Å; M251-C629 HydrophobicContact SD-CB 4.21Å; M254-C629 WeakPolarHBondContact CE-O 3.44Å; L625-C629 PolarHBondContact O-N 2.75Å; M626-C629 WeakPolarHBondContact O-CB 3.25Å; M626-C629 PolarHBondContact O-N 3.04Å; V627-C629 PolarHBondContact O-N 3.22Å
630	G	66.6	Low	75.4	Confident	33 Å²	33	40.1 Å²	40.1	34%	0.34	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	14	178.1	0	0	0	0	0	114.2	V627 R628 T632	V627-G630 PolarHBondContact O-N 3.32Å; V627-G630 VanDerWaalsContact O-N 3.07Å; R628-G630 PolarHBondContact O-N 3.16Å; G630-T632 PolarHBondContact O-N 3.49Å
631	V	63.1	Low	74.5	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.203	C	C	.	.			trans	-79.1	102.4	166.3	173.2	0	0	0	0	108.6	V241 M250 M251 M254 M626 V627	V241-V631 HydrophobicContact CG1-CG1 4.41Å; M250-V631 HydrophobicContact CB-CG1 3.82Å; M250-V631 HydrophobicContact CE-CG1 3.99Å; M250-V631 HydrophobicContact SD-CG1 4.28Å; M251-V631 HydrophobicContact CG-CG2 3.86Å; M251-V631 HydrophobicContact SD-CB 4.25Å; M251-V631 HydrophobicContact SD-CG2 3.11Å; M251-V631 WeakPolarHBondContact SD-CG2 3.42Å; M254-V631 HydrophobicContact CB-CG2 4.45Å; M254-V631 HydrophobicContact CE-CG2 4.36Å; M626-V631 PolarHBondContact O-N 3.14Å; V627-V631 WeakPolarHBondContact CA-O 3.15Å
632	T	60.1	Low	73.4	Confident	55 Å²	55	41.8 Å²	41.8	34%	0.337	21%	0.213	S	C	.	.			trans	-87	133.6	177.1	54	0	0	0	0	110.4	E204 G630	E204-T632 HydrophobicContact CG-CG2 3.86Å; E204-T632 WeakPolarHBondContact OE1-CG2 3.47Å; G630-T632 PolarHBondContact O-N 3.49Å
633	P	52.5	Low	72	Confident	61 Å²	61	45.4 Å²	45.4	40%	0.396	23%	0.231	S	C	.	.			trans	-46.8	0	169.6	-36.1	40.7	0	0	0	116.8	L207 W237 S240 V241	L207-P633 HydrophobicContact CD1-CG 4.33Å; W237-P633 HydrophobicContact CB-CG 4.36Å; W237-P633 WeakPolarHBondContact O-CG 3.23Å; S240-P633 WeakPolarHBondContact OG-CA 3.45Å; S240-P633 WeakPolarHBondContact OG-CB 3.18Å; S240-P633 PolarHBondContact OG-OXT 3.2Å; V241-P633 HydrophobicContact CG2-CG 4.07Å

Retrieved 633 of 633 residues in 405.7 ms (Link to these results)

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