A0A087XBD2_POEFO Loading...

TNF receptor-associated factor

AlphaFold DB , UniProt , Accession A0A087XBD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	33.3	Very low	247 Å²	247	134.7 Å²	134.7	100%	1.217	83%	0.825	S	S	*	*				0	120.6	0	-66.6	-176	176	0	0	107.2
2	A	31.3	Very low	34.2	Very low	109 Å²	109	135.1 Å²	135.1	90%	0.901	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.2	120	177.9	0	0	0	0	0	108.9
3	A	32.8	Very low	35.1	Very low	101 Å²	101	133 Å²	133	84%	0.835	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.9	124.2	170.1	0	0	0	0	0	108.4
4	Q	33.1	Very low	36.5	Very low	194 Å²	194	126.1 Å²	126.1	91%	0.907	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-85.5	116.6	175.8	-154.5	168.6	15.9	0	0	107.6
5	E	30.6	Very low	38.6	Very low	178 Å²	178	124.9 Å²	124.9	83%	0.832	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.5	143.7	179.3	-66.1	-172	146.9	0	0	111.1	S7	E5-S7 PolarHBondContact O-N 2.93Å
6	P	36.9	Very low	41.4	Very low	126 Å²	126	123.2 Å²	123.2	82%	0.818	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.1	175.6	29.8	-32.5	0	0	0	110.5
7	S	29.6	Very low	44.3	Very low	107 Å²	107	118.7 Å²	118.7	75%	0.748	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-54	141.9	170.4	-50	0	0	0	0	111.4	E5	E5-S7 PolarHBondContact O-N 2.93Å
8	P	29.8	Very low	46.9	Very low	112 Å²	112	112.2 Å²	112.2	73%	0.727	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65	143.3	178.7	27.7	-34.7	0	0	0	110.9	S10	P8-S10 PolarHBondContact O-N 3.37Å
9	P	32.5	Very low	49.2	Very low	128 Å²	128	106.6 Å²	106.6	83%	0.831	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66.7	120.7	177.6	27.5	-33.3	0	0	0	109.8	S11	P9-S11 PolarHBondContact O-N 3.48Å
10	S	32.3	Very low	51.3	Low	60 Å²	60	103.9 Å²	103.9	42%	0.42	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-68.6	125.2	177.1	90.3	0	0	0	0	109.6	P8 L12 E13	P8-S10 PolarHBondContact O-N 3.37Å; S10-L12 PolarHBondContact O-N 3.02Å; S10-E13 WeakPolarHBondContact CB-OE1 3.46Å; S10-E13 PolarHBondContact O-N 3.24Å; S10-E13 VanDerWaalsContact OG-CD 3.3Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE1 3.39Å
11	S	39.1	Very low	53.2	Low	120 Å²	120	103.4 Å²	103.4	84%	0.839	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	15.3	-171.9	-161.7	0	0	0	0	114.4	P9	P9-S11 PolarHBondContact O-N 3.48Å
12	L	43.6	Very low	55.5	Low	139 Å²	139	99.7 Å²	99.7	73%	0.728	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-15.3	-176.4	-68.9	171.7	0	0	0	113.8	S10 G14	S10-L12 PolarHBondContact O-N 3.02Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.36Å
13	E	46.6	Very low	58.4	Low	108 Å²	108	94.5 Å²	94.5	51%	0.505	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.8	-176.9	-81.1	169.2	-127.6	0	0	114.7	S10 R43	S10-E13 WeakPolarHBondContact CB-OE1 3.46Å; S10-E13 PolarHBondContact O-N 3.24Å; S10-E13 VanDerWaalsContact OG-CD 3.3Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE1 3.39Å; E13-R43 PolarHBondContact O-NE 3.31Å; E13-R43 PolarHBondContact O-NH1 2.64Å; E13-R43 IonicContact OE2-NH2 3.65Å
14	G	54.2	Low	61	Low	36 Å²	36	90.9 Å²	90.9	37%	0.371	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.2	-177.1	0	0	0	0	0	116.5	L12	L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.36Å
15	N	68.4	Low	63	Low	108 Å²	108	84.1 Å²	84.1	58%	0.578	49%	0.486	S	S	*	.			trans	-94.3	3.8	-158.4	-88.7	-16.3	0	0	0	117.5	F56	N15-F56 WeakPolarHBondContact O-CD2 3.36Å; N15-F56 WeakPolarHBondContact O-CE2 3.48Å
16	K	83.9	Confident	65.2	Low	98 Å²	98	81.4 Å²	81.4	43%	0.426	48%	0.478	S	S	.	.			trans	-104	138.4	179.6	-72.7	179.6	176	174.7	0	112.4	F56 E126	K16-F56 VanDerWaalsContact O-CB 3.24Å; K16-F56 WeakPolarHBondContact O-CB 3.41Å; K16-E126 WeakPolarHBondContact CD-OE2 3.48Å; K16-E126 WeakPolarHBondContact CE-OE2 3.34Å; K16-E126 IonicContact NZ-OE2 3.59Å; K16-E126 PolarHBondContact NZ-OE2 3.16Å
17	P	89.3	Confident	66.6	Low	47 Å²	47	83.4 Å²	83.4	31%	0.305	48%	0.482	S	S	.	.			trans	-69.3	179.7	169.5	31.7	-36.1	0	0	0	111.9	R42 F56	P17-R42 PolarHBondContact O-NE 3.21Å; P17-F56 HydrophobicContact CB-CD1 3.88Å; P17-F56 HydrophobicContact CB-CE1 4.18Å
18	G	91.1	Very high	68.4	Low	2 Å²	2	81 Å²	81	2%	0.021	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-55.7	154.7	178.4	0	0	0	0	0	114.4	K39 I40 C54	G18-K39 WeakPolarHBondContact O-CD 3.19Å; G18-I40 CarbonylContact C-O 3.53Å; G18-I40 WeakPolarHBondContact CA-O 3.31Å; G18-C54 WeakPolarHBondContact CA-SG 3.38Å; G18-C54 PolarHBondContact N-SG 3.38Å
19	F	92.1	Very high	70.2	Confident	6 Å²	6	80.8 Å²	80.8	3%	0.026	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-69.8	141.6	-178.1	-51.4	-90.4	0	0	0	111.8	K21 I23 K39 I40 R42 V118 F121 E122	F19-K21 PolarHBondContact O-N 3.19Å; F19-I23 HydrophobicContact CB-CD1 3.66Å; F19-I23 HydrophobicContact CB-CG1 4.3Å; F19-I23 HydrophobicContact CD1-CD1 4.12Å; F19-I23 HydrophobicContact CG-CD1 4.07Å; F19-K39 VanDerWaalsContact O-CB 3.32Å; F19-K39 WeakPolarHBondContact O-CB 3.44Å; F19-I40 HydrophobicContact CB-CB 4.09Å; F19-I40 HydrophobicContact CB-CD1 4.14Å; F19-I40 HydrophobicContact CD2-CB 4.4Å; F19-I40 HydrophobicContact CD2-CG2 4.29Å; F19-I40 PolarHBondContact N-O 2.66Å; F19-I40 PolarHBondContact O-N 3.32Å; F19-R42 VanDerWaalsContact CD1-NH2 3.27Å; F19-R42 HydrophobicContact CD2-CB 3.99Å; F19-R42 HydrophobicContact CD2-CG 4.49Å; F19-R42 HydrophobicContact CE1-CG 4.43Å; F19-R42 VanDerWaalsContact CE1-NH1 3.28Å; F19-R42 HydrophobicContact CE2-CB 3.69Å; F19-R42 HydrophobicContact CE2-CG 3.79Å; F19-R42 HydrophobicContact CZ-CB 4.17Å; F19-R42 HydrophobicContact CZ-CG 3.77Å; F19-V118 HydrophobicContact CD1-CG1 4.35Å; F19-V118 HydrophobicContact CD2-CG1 3.84Å; F19-V118 HydrophobicContact CE1-CG1 4.14Å; F19-V118 HydrophobicContact CE2-CG1 3.59Å; F19-V118 HydrophobicContact CG-CG1 4.21Å; F19-V118 HydrophobicContact CZ-CG1 3.75Å; F19-F121 HydrophobicContact CD1-CD1 4.37Å; F19-E122 HydrophobicContact CE1-CB 3.81Å; F19-E122 HydrophobicContact CE1-CG 4.09Å; F19-E122 HydrophobicContact CZ-CB 4.06Å; F19-E122 HydrophobicContact CZ-CG 4.29Å; F19-E122 WeakPolarHBondContact CZ-OE2 3.39Å
20	P	91.1	Very high	72	Confident	52 Å²	52	80.8 Å²	80.8	34%	0.338	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.8	178.7	-20.2	31.6	0	0	0	111.8	K22 I23 I40	P20-K22 PolarHBondContact O-N 2.78Å; P20-I23 HydrophobicContact CB-CG2 4.32Å; P20-I23 HydrophobicContact CG-CG2 4.43Å; P20-I23 WeakPolarHBondContact O-CG1 3.08Å; P20-I23 PolarHBondContact O-N 3.49Å; P20-I40 WeakPolarHBondContact O-CD1 3.32Å
21	K	90.1	Very high	74.4	Confident	94 Å²	94	82.4 Å²	82.4	41%	0.409	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-51.6	-31.4	177.6	-67.4	-169.1	178.9	-160.3	0	113.4	F19 I23 L24 L28 L33 Q38	F19-K21 PolarHBondContact O-N 3.19Å; K21-I23 PolarHBondContact O-N 2.94Å; K21-I23 VanDerWaalsContact O-N 3.13Å; K21-L24 PolarHBondContact O-N 2.73Å; K21-L28 HydrophobicContact CB-CD1 3.85Å; K21-L28 HydrophobicContact CD-CD1 3.71Å; K21-L28 HydrophobicContact CG-CD1 3.76Å; K21-L33 HydrophobicContact CD-CD2 4.47Å; K21-L33 HydrophobicContact CG-CD2 4.39Å; K21-L33 VanDerWaalsContact NZ-CD1 3.3Å; K21-Q38 WeakPolarHBondContact CE-O 3.44Å
22	K	88.2	Confident	76.8	Confident	168 Å²	168	77.1 Å²	77.1	73%	0.73	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-60.1	-14.6	177.5	-65.9	-168.7	175.4	-168.2	0	115.1	P20 L24 P108	P20-K22 PolarHBondContact O-N 2.78Å; K22-L24 VanDerWaalsContact C-N 3.31Å; K22-P108 HydrophobicContact CB-CB 4.05Å
23	I	90.8	Very high	79.1	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-81.3	-6.4	179.3	78.8	164.2	0	0	0	113.4	F19 P20 K21 I40 A105 V106 P108 V118 F121	F19-I23 HydrophobicContact CB-CD1 3.66Å; F19-I23 HydrophobicContact CB-CG1 4.3Å; F19-I23 HydrophobicContact CD1-CD1 4.12Å; F19-I23 HydrophobicContact CG-CD1 4.07Å; P20-I23 HydrophobicContact CB-CG2 4.32Å; P20-I23 HydrophobicContact CG-CG2 4.43Å; P20-I23 WeakPolarHBondContact O-CG1 3.08Å; P20-I23 PolarHBondContact O-N 3.49Å; K21-I23 PolarHBondContact O-N 2.94Å; K21-I23 VanDerWaalsContact O-N 3.13Å; I23-I40 HydrophobicContact CD1-CD1 4.48Å; I23-I40 HydrophobicContact CG1-CD1 3.86Å; I23-A105 CarbonylContact O-C 3.57Å; I23-A105 WeakPolarHBondContact O-CA 3.41Å; I23-A105 WeakPolarHBondContact O-CB 3.49Å; I23-V106 WeakPolarHBondContact CA-O 3.23Å; I23-V106 PolarHBondContact O-N 3.12Å; I23-P108 HydrophobicContact CG2-CG 4.07Å; I23-V118 HydrophobicContact CD1-CG1 4.37Å; I23-V118 HydrophobicContact CD1-CG2 4.14Å; I23-F121 HydrophobicContact CD1-CD1 3.71Å; I23-F121 HydrophobicContact CD1-CE1 4.01Å; I23-F121 HydrophobicContact CD1-CG 4.14Å; I23-F121 HydrophobicContact CG2-CE1 4.06Å; I23-F121 HydrophobicContact CG2-CE2 4.22Å; I23-F121 HydrophobicContact CG2-CZ 3.8Å
24	L	87.4	Confident	81.4	Confident	25 Å²	25	65.9 Å²	65.9	13%	0.131	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-91.1	137	-176.1	-71.9	170.9	0	0	0	112.3	K21 K22 L28 I40 L103 A104 V118	K21-L24 PolarHBondContact O-N 2.73Å; K22-L24 VanDerWaalsContact C-N 3.31Å; L24-L28 HydrophobicContact CD1-CD1 4.18Å; L24-L28 HydrophobicContact CD1-CD2 3.3Å; L24-L28 HydrophobicContact CD1-CG 3.52Å; L24-I40 HydrophobicContact CD1-CD1 3.47Å; L24-I40 VanDerWaalsContact CD1-CD1 3.47Å; L24-I40 HydrophobicContact CD1-CG1 3.83Å; L24-I40 HydrophobicContact CD2-CD1 4.29Å; L24-I40 HydrophobicContact CG-CD1 3.57Å; L24-I40 HydrophobicContact CG-CG1 4.47Å; L24-L103 HydrophobicContact CD1-CD1 4.4Å; L24-L103 HydrophobicContact CD2-CB 3.62Å; L24-L103 HydrophobicContact CD2-CD1 3.94Å; L24-L103 HydrophobicContact CD2-CG 4.36Å; L24-A104 WeakPolarHBondContact CD2-O 3.37Å; L24-V118 HydrophobicContact CD2-CG2 3.97Å
25	A	76.6	Confident	83.3	Confident	52 Å²	52	66.1 Å²	66.1	43%	0.43	34%	0.34	S	S	.	.	S	Bend	trans	-73.9	-30.9	176.1	0	0	0	0	0	112.8	A104 V106	A25-A104 HydrophobicContact CB-CB 3.9Å; A25-A104 PolarHBondContact N-O 3.43Å; A25-V106 HydrophobicContact CB-CG1 3.86Å
26	N	76.3	Confident	84.4	Confident	122 Å²	122	63.3 Å²	63.3	65%	0.652	33%	0.329	S	S	*	.	S	Bend	trans	-118	165.7	-171	-65.9	-14.2	0	0	0	111.5	L28	N26-L28 PolarHBondContact O-N 2.99Å
27	N	66	Low	84.9	Confident	168 Å²	168	60.4 Å²	60.4	90%	0.898	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-57.3	137.8	175.1	-78	-26.2	0	0	0	112
28	L	66.2	Low	85.1	Confident	56 Å²	56	62.5 Å²	62.5	29%	0.293	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-74.5	132.4	179.4	-92.1	154.2	0	0	0	111.8	K21 L24 N26 L33 I40	K21-L28 HydrophobicContact CB-CD1 3.85Å; K21-L28 HydrophobicContact CD-CD1 3.71Å; K21-L28 HydrophobicContact CG-CD1 3.76Å; L24-L28 HydrophobicContact CD1-CD1 4.18Å; L24-L28 HydrophobicContact CD1-CD2 3.3Å; L24-L28 HydrophobicContact CD1-CG 3.52Å; N26-L28 PolarHBondContact O-N 2.99Å; L28-L33 HydrophobicContact CD2-CD2 3.88Å; L28-L33 HydrophobicContact CD2-CG 4.5Å; L28-I40 HydrophobicContact CD2-CG1 4.22Å
29	E	68.1	Low	85.2	Confident	108 Å²	108	66.3 Å²	66.3	51%	0.505	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-86.1	129.5	155.8	-66.4	-174.1	-128	0	0	109.2	K31 H32	E29-K31 HydrophobicContact CB-CD 4.38Å; E29-K31 HydrophobicContact CB-CG 4.09Å; E29-K31 PolarHBondContact O-N 3.39Å; E29-K31 IonicContact OE1-NZ 3.21Å; E29-K31 PolarHBondContact OE1-NZ 3.42Å; E29-K31 VanDerWaalsContact OE2-CD 3.28Å; E29-K31 WeakPolarHBondContact OE2-CD 3.18Å; E29-K31 WeakPolarHBondContact OE2-CE 3.47Å; E29-K31 IonicContact OE2-NZ 3.98Å; E29-K31 PolarHBondContact OE2-NZ 3.3Å; E29-H32 PolarHBondContact O-N 3.01Å; E29-H32 VanDerWaalsContact O-N 3.14Å
30	D	70.8	Confident	85.2	Confident	127 Å²	127	66 Å²	66	68%	0.679	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.6	-22.2	-176.3	-73.6	-42.8	0	0	0	113.4	H32 L33	D30-H32 PolarHBondContact O-N 3.42Å; D30-L33 WeakPolarHBondContact O-CB 3.45Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 WeakPolarHBondContact OD1-CD1 3.21Å
31	K	82.6	Confident	85.3	Confident	95 Å²	95	63.6 Å²	63.6	41%	0.413	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-58.9	-19.2	176.7	80.7	-171	-172.1	-156.9	0	114.4	E29 E99	E29-K31 HydrophobicContact CB-CD 4.38Å; E29-K31 HydrophobicContact CB-CG 4.09Å; E29-K31 PolarHBondContact O-N 3.39Å; E29-K31 IonicContact OE1-NZ 3.21Å; E29-K31 PolarHBondContact OE1-NZ 3.42Å; E29-K31 VanDerWaalsContact OE2-CD 3.28Å; E29-K31 WeakPolarHBondContact OE2-CD 3.18Å; E29-K31 WeakPolarHBondContact OE2-CE 3.47Å; E29-K31 IonicContact OE2-NZ 3.98Å; E29-K31 PolarHBondContact OE2-NZ 3.3Å; K31-E99 WeakPolarHBondContact CE-OE2 3.25Å
32	H	89.8	Confident	85.5	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.037	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-95.4	3.1	179.4	-62.2	139.2	0	0	0	114	E29 D30 L41 E99 V100 L103	E29-H32 PolarHBondContact O-N 3.01Å; E29-H32 VanDerWaalsContact O-N 3.14Å; D30-H32 PolarHBondContact O-N 3.42Å; H32-L41 WeakPolarHBondContact O-CG 3.38Å; H32-L41 PolarHBondContact O-N 3.45Å; H32-E99 IonicContact CD2-OE2 2.73Å; H32-E99 IonicContact CE1-OE2 2.63Å; H32-E99 IonicContact NE2-OE2 2.73Å; H32-E99 PolarHBondContact NE2-OE2 3.43Å; H32-V100 HydrophobicContact CB-CG2 4.02Å; H32-L103 HydrophobicContact CB-CD1 4.49Å
33	L	92.7	Very high	85.7	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.058	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-92.9	147.2	-180	-61.6	179.4	0	0	0	112.9	K21 L28 D30	K21-L33 HydrophobicContact CD-CD2 4.47Å; K21-L33 HydrophobicContact CG-CD2 4.39Å; K21-L33 VanDerWaalsContact NZ-CD1 3.3Å; L28-L33 HydrophobicContact CD2-CD2 3.88Å; L28-L33 HydrophobicContact CD2-CG 4.5Å; D30-L33 WeakPolarHBondContact O-CB 3.45Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 WeakPolarHBondContact OD1-CD1 3.21Å
34	C	94.4	Very high	85.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.			trans	-81.3	121.4	175.3	172	0	0	0	0	111.2	S36 C37 Q38 K39 L41 C54	C34-S36 PolarHBondContact O-N 3.3Å; C34-S36 PolarHBondContact SG-N 2.83Å; C34-C37 PolarHBondContact O-N 2.89Å; C34-C37 PolarHBondContact SG-N 3.27Å; C34-Q38 WeakPolarHBondContact O-CA 3.39Å; C34-Q38 PolarHBondContact O-N 2.77Å; C34-K39 WeakPolarHBondContact CB-O 3.29Å; C34-K39 PolarHBondContact N-O 2.78Å; C34-L41 HydrophobicContact CB-CD2 3.81Å; C34-L41 HydrophobicContact CB-CG 4.45Å; C34-C54 VanDerWaalsContact CB-SG 3.5Å; C34-C54 PolarHBondContact SG-N 3.32Å
35	N	93	Very high	86.3	Confident	41 Å²	41	55.2 Å²	55.2	22%	0.219	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.2	179.8	-76.5	-73.1	0	0	0	114.7	Q38 R52 F53 A71	N35-Q38 PolarHBondContact O-NE2 2.91Å; N35-R52 WeakPolarHBondContact CB-O 3.38Å; N35-R52 PolarHBondContact N-O 2.81Å; N35-R52 VanDerWaalsContact N-O 3.09Å; N35-R52 PolarHBondContact ND2-N 2.85Å; N35-R52 PolarHBondContact ND2-O 3.35Å; N35-F53 HydrophobicContact CB-CD1 4.11Å; N35-F53 HydrophobicContact CB-CE1 3.63Å; N35-F53 HydrophobicContact CB-CZ 3.92Å; N35-A71 HydrophobicContact CB-CB 4.15Å; N35-A71 WeakPolarHBondContact OD1-CB 3.46Å
36	S	93.2	Very high	87.2	Confident	49 Å²	49	55 Å²	55	34%	0.343	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-64.3	172.9	175.9	0	0	0	0	114.2	C34	C34-S36 PolarHBondContact O-N 3.3Å; C34-S36 PolarHBondContact SG-N 2.83Å
37	C	93.4	Very high	88	Confident	37 Å²	37	49.2 Å²	49.2	25%	0.25	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.5	-171	68.1	0	0	0	0	115.4	C34 K39 C57	C34-C37 PolarHBondContact O-N 2.89Å; C34-C37 PolarHBondContact SG-N 3.27Å; C37-K39 PolarHBondContact O-N 3.47Å; C37-C57 PolarHBondContact SG-SG 3.04Å
38	Q	92.5	Very high	89.2	Confident	92 Å²	92	47 Å²	47	43%	0.43	23%	0.23	S	C	.	.			trans	55.9	22.6	178.4	-58.9	-62.8	-36.4	0	0	114.2	K21 C34 N35	K21-Q38 WeakPolarHBondContact CE-O 3.44Å; C34-Q38 WeakPolarHBondContact O-CA 3.39Å; C34-Q38 PolarHBondContact O-N 2.77Å; N35-Q38 PolarHBondContact O-NE2 2.91Å
39	K	93.6	Very high	90.5	Very high	82 Å²	82	45.9 Å²	45.9	36%	0.357	23%	0.227	S	C	.	.	S	Bend	trans	-107.8	166.8	174.4	-72.3	-177.2	-171.5	-177.1	0	109.9	G18 F19 C34 C37 L41	G18-K39 WeakPolarHBondContact O-CD 3.19Å; F19-K39 VanDerWaalsContact O-CB 3.32Å; F19-K39 WeakPolarHBondContact O-CB 3.44Å; C34-K39 WeakPolarHBondContact CB-O 3.29Å; C34-K39 PolarHBondContact N-O 2.78Å; C37-K39 PolarHBondContact O-N 3.47Å; K39-L41 PolarHBondContact O-N 2.81Å
40	I	93.2	Very high	91.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-60	136.3	178.2	-53.7	154.5	0	0	0	109	G18 F19 P20 I23 L24 L28 R42 V100	G18-I40 CarbonylContact C-O 3.53Å; G18-I40 WeakPolarHBondContact CA-O 3.31Å; F19-I40 HydrophobicContact CB-CB 4.09Å; F19-I40 HydrophobicContact CB-CD1 4.14Å; F19-I40 HydrophobicContact CD2-CB 4.4Å; F19-I40 HydrophobicContact CD2-CG2 4.29Å; F19-I40 PolarHBondContact N-O 2.66Å; F19-I40 PolarHBondContact O-N 3.32Å; P20-I40 WeakPolarHBondContact O-CD1 3.32Å; I23-I40 HydrophobicContact CD1-CD1 4.48Å; I23-I40 HydrophobicContact CG1-CD1 3.86Å; L24-I40 HydrophobicContact CD1-CD1 3.47Å; L24-I40 VanDerWaalsContact CD1-CD1 3.47Å; L24-I40 HydrophobicContact CD1-CG1 3.83Å; L24-I40 HydrophobicContact CD2-CD1 4.29Å; L24-I40 HydrophobicContact CG-CD1 3.57Å; L24-I40 HydrophobicContact CG-CG1 4.47Å; L28-I40 HydrophobicContact CD2-CG1 4.22Å; I40-R42 PolarHBondContact O-N 2.67Å; I40-R42 VanDerWaalsContact O-N 3.14Å; I40-V100 HydrophobicContact CG2-CG1 3.57Å; I40-V100 HydrophobicContact CG2-CG2 4.43Å
41	L	93.5	Very high	92.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.191	C	C	.	.			trans	-60.3	112.1	-175	-74.6	161.3	0	0	0	112.9	H32 C34 K39 P44 R52 F53 V100	H32-L41 WeakPolarHBondContact O-CG 3.38Å; H32-L41 PolarHBondContact O-N 3.45Å; C34-L41 HydrophobicContact CB-CD2 3.81Å; C34-L41 HydrophobicContact CB-CG 4.45Å; K39-L41 PolarHBondContact O-N 2.81Å; L41-P44 HydrophobicContact CB-CB 4.03Å; L41-P44 HydrophobicContact CB-CG 4.46Å; L41-P44 HydrophobicContact CD1-CB 4.21Å; L41-P44 HydrophobicContact CD2-CB 4.16Å; L41-P44 HydrophobicContact CG-CB 4.37Å; L41-R52 HydrophobicContact CD1-CB 3.75Å; L41-R52 HydrophobicContact CD1-CG 4.38Å; L41-R52 HydrophobicContact CD2-CB 3.96Å; L41-F53 VanDerWaalsContact CD2-C 3.42Å; L41-V100 HydrophobicContact CB-CG2 4.34Å; L41-V100 WeakPolarHBondContact O-CG1 3.49Å
42	R	93.8	Very high	93.3	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.038	18%	0.183	C	C	.	.	S	Bend	trans	-95.3	124.7	167.4	-172.2	-172	-55.3	-111.2	3	109.7	P17 F19 I40 C54 S55 E122 E126	P17-R42 PolarHBondContact O-NE 3.21Å; F19-R42 VanDerWaalsContact CD1-NH2 3.27Å; F19-R42 HydrophobicContact CD2-CB 3.99Å; F19-R42 HydrophobicContact CD2-CG 4.49Å; F19-R42 HydrophobicContact CE1-CG 4.43Å; F19-R42 VanDerWaalsContact CE1-NH1 3.28Å; F19-R42 HydrophobicContact CE2-CB 3.69Å; F19-R42 HydrophobicContact CE2-CG 3.79Å; F19-R42 HydrophobicContact CZ-CB 4.17Å; F19-R42 HydrophobicContact CZ-CG 3.77Å; I40-R42 PolarHBondContact O-N 2.67Å; I40-R42 VanDerWaalsContact O-N 3.14Å; R42-C54 PolarHBondContact N-SG 3.08Å; R42-C54 VanDerWaalsContact O-CA 3.29Å; R42-C54 WeakPolarHBondContact O-CA 3.39Å; R42-C54 VanDerWaalsContact O-CB 3.29Å; R42-C54 WeakPolarHBondContact O-CB 3.44Å; R42-S55 PolarHBondContact O-N 3.49Å; R42-E122 WeakPolarHBondContact CD-OE1 3.45Å; R42-E122 IonicContact CZ-OE1 3.68Å; R42-E122 IonicContact NE-OE1 3.42Å; R42-E122 IonicContact NH1-OE1 2.65Å; R42-E122 PolarHBondContact NH1-OE1 2.97Å; R42-E126 IonicContact CZ-OE1 3.93Å; R42-E126 IonicContact CZ-OE2 2.7Å; R42-E126 IonicContact NH1-OE1 3.95Å; R42-E126 IonicContact NH1-OE2 3.59Å; R42-E126 PolarHBondContact NH1-OE2 2.76Å; R42-E126 IonicContact NH2-OE1 2.73Å; R42-E126 PolarHBondContact NH2-OE1 3.19Å; R42-E126 IonicContact NH2-OE2 3.66Å; R42-E126 PolarHBondContact NH2-OE2 3.44Å
43	R	92.8	Very high	93.6	Very high	78 Å²	78	35.3 Å²	35.3	29%	0.294	18%	0.181	S	C	.	.	S	Bend	trans	45.6	66	-175.7	-65	173.8	179.4	70.9	-0.9	110.5	E13 S55 E122	E13-R43 PolarHBondContact O-NE 3.31Å; E13-R43 PolarHBondContact O-NH1 2.64Å; E13-R43 IonicContact OE2-NH2 3.65Å; R43-S55 VanDerWaalsContact O-CB 3.3Å; R43-S55 WeakPolarHBondContact O-CB 3.44Å; R43-S55 PolarHBondContact O-N 2.9Å; R43-E122 IonicContact CZ-OE1 3.78Å; R43-E122 IonicContact NH1-OE1 2.77Å; R43-E122 PolarHBondContact NH1-OE1 3.32Å; R43-E122 IonicContact NH1-OE2 3.68Å; R43-E122 IonicContact NH2-OE1 3.4Å
44	P	94.6	Very high	93.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	136.8	-172.5	20.5	-30.7	0	0	0	113	L41 F53 D93 A96 R97	L41-P44 HydrophobicContact CB-CB 4.03Å; L41-P44 HydrophobicContact CB-CG 4.46Å; L41-P44 HydrophobicContact CD1-CB 4.21Å; L41-P44 HydrophobicContact CD2-CB 4.16Å; L41-P44 HydrophobicContact CG-CB 4.37Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.4Å; P44-D93 HydrophobicContact CB-CB 4.25Å; P44-D93 HydrophobicContact CG-CB 4.48Å; P44-D93 PolarHBondContact O-N 3.2Å; P44-A96 HydrophobicContact CB-CB 4.35Å; P44-A96 HydrophobicContact CG-CB 4.1Å; P44-R97 HydrophobicContact CG-CB 3.8Å; P44-R97 HydrophobicContact CG-CG 4.41Å
45	L	94.8	Very high	93.7	Very high	19 Å²	19	35.9 Å²	35.9	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.5	164	-56.4	-175.8	0	0	0	108.8	R52 F53 F58 A90 F91 P92	L45-R52 WeakPolarHBondContact O-CA 3.5Å; L45-F53 PolarHBondContact N-O 2.84Å; L45-F53 PolarHBondContact O-N 3.49Å; L45-F58 HydrophobicContact CD1-CB 3.98Å; L45-F58 HydrophobicContact CD1-CD1 3.99Å; L45-F58 HydrophobicContact CD1-CG 4.11Å; L45-A90 HydrophobicContact CB-CB 4.1Å; L45-F91 CarbonylContact C-O 3.49Å; L45-F91 VanDerWaalsContact CA-O 3.26Å; L45-F91 WeakPolarHBondContact CA-O 3.34Å; L45-P92 HydrophobicContact CD2-CB 4.29Å; L45-P92 HydrophobicContact CD2-CG 4.11Å
46	Q	95.4	Very high	93.8	Very high	48 Å²	48	36.8 Å²	36.8	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	171	-171.4	171.4	24.2	0	0	109.3	G50 A90 F91 D93	Q46-G50 WeakPolarHBondContact CG-O 3.37Å; Q46-G50 PolarHBondContact NE2-O 3.45Å; Q46-G50 VanDerWaalsContact NE2-O 3.09Å; Q46-A90 CarbonylContact O-C 3.54Å; Q46-A90 WeakPolarHBondContact O-CA 3.42Å; Q46-A90 VanDerWaalsContact O-CB 3.28Å; Q46-A90 WeakPolarHBondContact O-CB 3.38Å; Q46-F91 HydrophobicContact CB-CD2 4.4Å; Q46-F91 HydrophobicContact CB-CE1 4.27Å; Q46-F91 HydrophobicContact CB-CE2 3.84Å; Q46-F91 HydrophobicContact CB-CZ 3.77Å; Q46-F91 HydrophobicContact CG-CE1 4.43Å; Q46-F91 HydrophobicContact CG-CE2 4.39Å; Q46-F91 HydrophobicContact CG-CZ 3.9Å; Q46-F91 PolarHBondContact N-O 2.98Å; Q46-F91 WeakPolarHBondContact O-CD1 3.25Å; Q46-F91 PolarHBondContact O-N 2.94Å; Q46-F91 VanDerWaalsContact OE1-CZ 3.29Å; Q46-D93 HydrophobicContact CB-CB 4.18Å
47	A	94.1	Very high	93.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	165.6	174.7	0	0	0	0	0	111.5	C49 G50 H51 F53 F58 L85	A47-C49 PolarHBondContact O-N 3.44Å; A47-G50 PolarHBondContact O-N 3.32Å; A47-H51 PolarHBondContact N-O 3.23Å; A47-F53 HydrophobicContact CB-CD2 4.36Å; A47-F53 HydrophobicContact CB-CE2 4.03Å; A47-F58 HydrophobicContact CB-CE2 4.39Å; A47-L85 HydrophobicContact CB-CD2 3.61Å
48	Q	91.9	Very high	93.8	Very high	121 Å²	121	33 Å²	33	57%	0.565	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.8	177.1	-70.5	176.7	2.6	0	0	113.4	G50	Q48-G50 PolarHBondContact O-N 2.92Å
49	C	92.8	Very high	93.8	Very high	32 Å²	32	32.8 Å²	32.8	22%	0.216	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	4.4	173	64.7	0	0	0	0	114.9	A47 H51 C72 T82	A47-C49 PolarHBondContact O-N 3.44Å; C49-H51 VanDerWaalsContact C-N 3.32Å; C49-H51 PolarHBondContact O-N 3.35Å; C49-H51 PolarHBondContact SG-ND1 2.86Å; C49-C72 WeakPolarHBondContact CB-SG 3.39Å; C49-T82 PolarHBondContact N-O 2.92Å
50	G	91.3	Very high	93.8	Very high	33 Å²	33	35.9 Å²	35.9	34%	0.34	18%	0.177	S	C	.	.	S	Bend	trans	86.4	-17.9	179.2	0	0	0	0	0	115.7	Q46 A47 Q48	Q46-G50 WeakPolarHBondContact CG-O 3.37Å; Q46-G50 PolarHBondContact NE2-O 3.45Å; Q46-G50 VanDerWaalsContact NE2-O 3.09Å; A47-G50 PolarHBondContact O-N 3.32Å; Q48-G50 PolarHBondContact O-N 2.92Å
51	H	94.3	Very high	93.7	Very high	21 Å²	21	38.6 Å²	38.6	10%	0.097	19%	0.191	C	C	.	.			trans	-67.6	143.3	179.5	-66.7	103.6	0	0	0	113.7	A47 C49 F53 A71 C72 E75	A47-H51 PolarHBondContact N-O 3.23Å; C49-H51 VanDerWaalsContact C-N 3.32Å; C49-H51 PolarHBondContact O-N 3.35Å; C49-H51 PolarHBondContact SG-ND1 2.86Å; H51-F53 HydrophobicContact CB-CE2 3.83Å; H51-F53 HydrophobicContact CB-CZ 4.24Å; H51-A71 HydrophobicContact CB-CB 4.34Å; H51-A71 WeakPolarHBondContact CD2-CB 3.18Å; H51-C72 PolarHBondContact CE1-N 3.47Å; H51-C72 PolarHBondContact CE1-SG 3.06Å; H51-C72 PolarHBondContact ND1-SG 3.49Å; H51-E75 IonicContact CD2-OE1 2.89Å; H51-E75 IonicContact CD2-OE2 2.67Å; H51-E75 IonicContact CE1-OE2 3.41Å; H51-E75 PolarHBondContact CE1-OE2 2.76Å; H51-E75 IonicContact NE2-OE1 2.76Å; H51-E75 PolarHBondContact NE2-OE1 3Å; H51-E75 IonicContact NE2-OE2 3.99Å; H51-E75 PolarHBondContact NE2-OE2 3.36Å
52	R	95.3	Very high	93.7	Very high	62 Å²	62	38.9 Å²	38.9	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.2	-177.5	-64.4	178.8	174.6	120.8	2.8	113.4	N35 L41 L45 D93	N35-R52 WeakPolarHBondContact CB-O 3.38Å; N35-R52 PolarHBondContact N-O 2.81Å; N35-R52 VanDerWaalsContact N-O 3.09Å; N35-R52 PolarHBondContact ND2-N 2.85Å; N35-R52 PolarHBondContact ND2-O 3.35Å; L41-R52 HydrophobicContact CD1-CB 3.75Å; L41-R52 HydrophobicContact CD1-CG 4.38Å; L41-R52 HydrophobicContact CD2-CB 3.96Å; L45-R52 WeakPolarHBondContact O-CA 3.5Å; R52-D93 IonicContact CZ-OD2 3.17Å; R52-D93 IonicContact NE-OD2 3.75Å; R52-D93 PolarHBondContact NE-OD2 3.11Å; R52-D93 IonicContact NH2-OD2 3.9Å; R52-D93 PolarHBondContact NH2-OD2 3.41Å
53	F	95.1	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.6	179	-60.9	-90.5	0	0	0	110.5	N35 L41 P44 L45 A47 H51 F58 L61 L85	N35-F53 HydrophobicContact CB-CD1 4.11Å; N35-F53 HydrophobicContact CB-CE1 3.63Å; N35-F53 HydrophobicContact CB-CZ 3.92Å; L41-F53 VanDerWaalsContact CD2-C 3.42Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.4Å; L45-F53 PolarHBondContact N-O 2.84Å; L45-F53 PolarHBondContact O-N 3.49Å; A47-F53 HydrophobicContact CB-CD2 4.36Å; A47-F53 HydrophobicContact CB-CE2 4.03Å; H51-F53 HydrophobicContact CB-CE2 3.83Å; H51-F53 HydrophobicContact CB-CZ 4.24Å; F53-F58 HydrophobicContact CB-CB 3.91Å; F53-F58 HydrophobicContact CB-CD2 4.26Å; F53-F58 AromaticContact CD2-CD2 3.98Å; F53-F58 HydrophobicContact CD2-CD2 3.98Å; F53-F58 HydrophobicContact CG-CD2 4.15Å; F53-L61 HydrophobicContact CD1-CD1 4.05Å; F53-L61 HydrophobicContact CE1-CD1 3.91Å; F53-L85 HydrophobicContact CE1-CD1 4.38Å; F53-L85 HydrophobicContact CE2-CD1 4.24Å; F53-L85 HydrophobicContact CE2-CD2 4.33Å; F53-L85 HydrophobicContact CZ-CD1 3.85Å
54	C	95.6	Very high	93.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.4	164.1	-55.1	0	0	0	0	109.3	G18 C34 R42 F56 C57 F58	G18-C54 WeakPolarHBondContact CA-SG 3.38Å; G18-C54 PolarHBondContact N-SG 3.38Å; C34-C54 VanDerWaalsContact CB-SG 3.5Å; C34-C54 PolarHBondContact SG-N 3.32Å; R42-C54 PolarHBondContact N-SG 3.08Å; R42-C54 VanDerWaalsContact O-CA 3.29Å; R42-C54 WeakPolarHBondContact O-CA 3.39Å; R42-C54 VanDerWaalsContact O-CB 3.29Å; R42-C54 WeakPolarHBondContact O-CB 3.44Å; C54-F56 VanDerWaalsContact C-N 3.31Å; C54-F56 PolarHBondContact O-N 3.36Å; C54-C57 HydrophobicContact CB-CB 4.08Å; C54-C57 WeakPolarHBondContact O-CA 3.09Å; C54-C57 PolarHBondContact O-N 2.86Å; C54-F58 PolarHBondContact O-N 3.37Å
55	S	93.8	Very high	93	Very high	24 Å²	24	44.8 Å²	44.8	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-49.3	-49.3	176.7	174.7	0	0	0	0	112.9	R42 R43 C57 F58 N59	R42-S55 PolarHBondContact O-N 3.49Å; R43-S55 VanDerWaalsContact O-CB 3.3Å; R43-S55 WeakPolarHBondContact O-CB 3.44Å; R43-S55 PolarHBondContact O-N 2.9Å; S55-C57 VanDerWaalsContact C-N 3.33Å; S55-C57 PolarHBondContact O-N 2.81Å; S55-F58 PolarHBondContact O-N 2.85Å; S55-N59 WeakPolarHBondContact O-CB 3.43Å; S55-N59 VanDerWaalsContact O-CG 3.27Å; S55-N59 PolarHBondContact O-N 2.83Å; S55-N59 PolarHBondContact O-ND2 3.31Å
56	F	94.1	Very high	92.9	Very high	59 Å²	59	47.9 Å²	47.9	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-54.8	-44.6	173.5	178.4	-100.6	0	0	0	113.4	N15 K16 P17 C54 K60	N15-F56 WeakPolarHBondContact O-CD2 3.36Å; N15-F56 WeakPolarHBondContact O-CE2 3.48Å; K16-F56 VanDerWaalsContact O-CB 3.24Å; K16-F56 WeakPolarHBondContact O-CB 3.41Å; P17-F56 HydrophobicContact CB-CD1 3.88Å; P17-F56 HydrophobicContact CB-CE1 4.18Å; C54-F56 VanDerWaalsContact C-N 3.31Å; C54-F56 PolarHBondContact O-N 3.36Å; F56-K60 HydrophobicContact CE1-CD 4.34Å; F56-K60 HydrophobicContact CZ-CD 4.44Å; F56-K60 VanDerWaalsContact O-CB 3.27Å; F56-K60 WeakPolarHBondContact O-CB 3.38Å; F56-K60 PolarHBondContact O-N 2.65Å
57	C	94.2	Very high	92.7	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-73.3	-38.9	-175.9	-64.2	0	0	0	0	112.3	C37 C54 S55 K60 L61	C37-C57 PolarHBondContact SG-SG 3.04Å; C54-C57 HydrophobicContact CB-CB 4.08Å; C54-C57 WeakPolarHBondContact O-CA 3.09Å; C54-C57 PolarHBondContact O-N 2.86Å; S55-C57 VanDerWaalsContact C-N 3.33Å; S55-C57 PolarHBondContact O-N 2.81Å; C57-K60 PolarHBondContact O-N 3.36Å; C57-L61 WeakPolarHBondContact O-CG 3.41Å; C57-L61 PolarHBondContact O-N 2.83Å
58	F	93.6	Very high	92.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-51.2	174.8	-174.1	-92	0	0	0	110.8	L45 A47 F53 C54 S55 K60 L61 V62 L85 K86 A90	L45-F58 HydrophobicContact CD1-CB 3.98Å; L45-F58 HydrophobicContact CD1-CD1 3.99Å; L45-F58 HydrophobicContact CD1-CG 4.11Å; A47-F58 HydrophobicContact CB-CE2 4.39Å; F53-F58 HydrophobicContact CB-CB 3.91Å; F53-F58 HydrophobicContact CB-CD2 4.26Å; F53-F58 AromaticContact CD2-CD2 3.98Å; F53-F58 HydrophobicContact CD2-CD2 3.98Å; F53-F58 HydrophobicContact CG-CD2 4.15Å; C54-F58 PolarHBondContact O-N 3.37Å; S55-F58 PolarHBondContact O-N 2.85Å; F58-K60 VanDerWaalsContact C-N 3.27Å; F58-K60 PolarHBondContact O-N 3.5Å; F58-L61 WeakPolarHBondContact O-CB 3.5Å; F58-L61 PolarHBondContact O-N 3.33Å; F58-V62 HydrophobicContact CD1-CG2 4.27Å; F58-V62 HydrophobicContact CE1-CG1 4.04Å; F58-V62 HydrophobicContact CE1-CG2 4.04Å; F58-V62 HydrophobicContact CE2-CG1 4.4Å; F58-V62 HydrophobicContact CZ-CG1 3.96Å; F58-V62 WeakPolarHBondContact O-CG2 3.29Å; F58-V62 PolarHBondContact O-N 3.46Å; F58-L85 HydrophobicContact CE2-CB 4.12Å; F58-L85 HydrophobicContact CE2-CD1 4.48Å; F58-L85 HydrophobicContact CE2-CD2 4.23Å; F58-L85 HydrophobicContact CZ-CB 4.44Å; F58-K86 WeakPolarHBondContact CE1-O 3.39Å; F58-K86 WeakPolarHBondContact CZ-O 3.4Å; F58-A90 HydrophobicContact CD1-CB 4.13Å; F58-A90 HydrophobicContact CD2-CB 3.99Å; F58-A90 HydrophobicContact CE1-CB 3.69Å; F58-A90 HydrophobicContact CE2-CB 3.52Å; F58-A90 HydrophobicContact CG-CB 4.28Å; F58-A90 HydrophobicContact CZ-CB 3.36Å
59	N	92.4	Very high	92.7	Very high	86 Å²	86	48.5 Å²	48.5	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-37.5	179.3	-68.5	-20.7	0	0	0	112	S55 S63	S55-N59 WeakPolarHBondContact O-CB 3.43Å; S55-N59 VanDerWaalsContact O-CG 3.27Å; S55-N59 PolarHBondContact O-N 2.83Å; S55-N59 PolarHBondContact O-ND2 3.31Å; N59-S63 WeakPolarHBondContact O-CB 3.47Å; N59-S63 PolarHBondContact O-N 3.13Å; N59-S63 VanDerWaalsContact O-N 3.14Å
60	K	92.4	Very high	92.7	Very high	147 Å²	147	49.7 Å²	49.7	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-70.6	-29.2	173.8	-174	175	179.9	-179	0	113.8	F56 C57 F58 S63	F56-K60 HydrophobicContact CE1-CD 4.34Å; F56-K60 HydrophobicContact CZ-CD 4.44Å; F56-K60 VanDerWaalsContact O-CB 3.27Å; F56-K60 WeakPolarHBondContact O-CB 3.38Å; F56-K60 PolarHBondContact O-N 2.65Å; C57-K60 PolarHBondContact O-N 3.36Å; F58-K60 VanDerWaalsContact C-N 3.27Å; F58-K60 PolarHBondContact O-N 3.5Å; K60-S63 PolarHBondContact O-OG 3.11Å; K60-S63 VanDerWaalsContact O-OG 3.09Å
61	L	91.9	Very high	92.7	Very high	58 Å²	58	48.4 Å²	48.4	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-71.8	-46.6	174.9	-79.8	172.4	0	0	0	111.2	F53 C57 F58 S63 Q67 L85	F53-L61 HydrophobicContact CD1-CD1 4.05Å; F53-L61 HydrophobicContact CE1-CD1 3.91Å; C57-L61 WeakPolarHBondContact O-CG 3.41Å; C57-L61 PolarHBondContact O-N 2.83Å; F58-L61 WeakPolarHBondContact O-CB 3.5Å; F58-L61 PolarHBondContact O-N 3.33Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.46Å; L61-Q67 WeakPolarHBondContact O-CG 3.17Å; L61-L85 HydrophobicContact CD1-CD1 4.48Å
62	V	92.8	Very high	92.6	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-86	0.5	-175.5	-54	0	0	0	0	114.1	F58 S64 G65 L85 P87	F58-V62 HydrophobicContact CD1-CG2 4.27Å; F58-V62 HydrophobicContact CE1-CG1 4.04Å; F58-V62 HydrophobicContact CE1-CG2 4.04Å; F58-V62 HydrophobicContact CE2-CG1 4.4Å; F58-V62 HydrophobicContact CZ-CG1 3.96Å; F58-V62 WeakPolarHBondContact O-CG2 3.29Å; F58-V62 PolarHBondContact O-N 3.46Å; V62-S64 PolarHBondContact O-N 3.05Å; V62-G65 PolarHBondContact O-N 3.41Å; V62-L85 HydrophobicContact CG1-CB 3.91Å; V62-P87 HydrophobicContact CB-CG 4.14Å; V62-P87 HydrophobicContact CG2-CB 4.32Å; V62-P87 HydrophobicContact CG2-CG 4.09Å
63	S	91.4	Very high	92.4	Very high	87 Å²	87	49 Å²	49	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	-178	61.8	0	0	0	0	113.8	N59 K60 L61	N59-S63 WeakPolarHBondContact O-CB 3.47Å; N59-S63 PolarHBondContact O-N 3.13Å; N59-S63 VanDerWaalsContact O-N 3.14Å; K60-S63 PolarHBondContact O-OG 3.11Å; K60-S63 VanDerWaalsContact O-OG 3.09Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.46Å
64	S	87.6	Confident	92.2	Very high	106 Å²	106	57.1 Å²	57.1	74%	0.741	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	17.6	177.4	-54.8	0	0	0	0	112.9	V62	V62-S64 PolarHBondContact O-N 3.05Å
65	G	88.8	Confident	92	Very high	23 Å²	23	61.8 Å²	61.8	24%	0.237	33%	0.334	C	S	.	.	S	Bend	trans	96.1	-178	-174	0	0	0	0	0	113.3	V62 Q67	V62-G65 PolarHBondContact O-N 3.41Å; G65-Q67 PolarHBondContact O-N 3.45Å; G65-Q67 PolarHBondContact O-NE2 3.38Å
66	P	91.3	Very high	91.7	Very high	83 Å²	83	67.9 Å²	67.9	54%	0.539	36%	0.364	S	S	.	.			trans	-56.7	135.7	-174.7	-25.7	35.4	0	0	0	113.6	I84 L85 K86	P66-I84 HydrophobicContact CB-CG2 3.85Å; P66-L85 CarbonylContact C-O 3.56Å; P66-L85 VanDerWaalsContact CA-O 3.25Å; P66-L85 WeakPolarHBondContact CA-O 3.28Å; P66-K86 HydrophobicContact CB-CG 4.09Å; P66-K86 HydrophobicContact CG-CG 4.23Å
67	Q	92.9	Very high	91.6	Very high	77 Å²	77	70.4 Å²	70.4	36%	0.36	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.9	-179.4	-62.2	-54.2	-50.7	0	0	111.4	L61 G65 I84 L85	L61-Q67 WeakPolarHBondContact O-CG 3.17Å; G65-Q67 PolarHBondContact O-N 3.45Å; G65-Q67 PolarHBondContact O-NE2 3.38Å; Q67-I84 CarbonylContact O-C 3.59Å; Q67-L85 PolarHBondContact N-O 2.86Å; Q67-L85 WeakPolarHBondContact O-CB 3.19Å; Q67-L85 PolarHBondContact O-N 3.37Å
68	K	92.6	Very high	91.5	Very high	107 Å²	107	73.3 Å²	73.3	47%	0.465	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.1	170.4	-63.8	-165.6	167.2	-149.6	0	110.1	S70 I73 F78 E80 I84	K68-S70 PolarHBondContact O-N 3.12Å; K68-S70 VanDerWaalsContact O-N 3.15Å; K68-I73 HydrophobicContact CB-CD1 3.96Å; K68-F78 HydrophobicContact CB-CE2 3.8Å; K68-F78 HydrophobicContact CB-CZ 4.3Å; K68-F78 HydrophobicContact CD-CE1 4.33Å; K68-F78 HydrophobicContact CD-CE2 3.9Å; K68-F78 HydrophobicContact CD-CZ 3.54Å; K68-F78 HydrophobicContact CG-CE2 3.92Å; K68-F78 HydrophobicContact CG-CZ 3.9Å; K68-E80 VanDerWaalsContact CE-OE1 3.28Å; K68-E80 WeakPolarHBondContact CE-OE1 3.42Å; K68-E80 IonicContact NZ-OE1 2.66Å; K68-E80 PolarHBondContact NZ-OE1 2.99Å; K68-I84 HydrophobicContact CG-CD1 3.87Å
69	C	93.6	Very high	91.3	Very high	0 Å²	0	79 Å²	79	0%	0	42%	0.418	C	S	.	.			trans	-66.8	112.5	176.2	-173.8	0	0	0	0	110.3	A71 C72 I73 S83 L85	C69-A71 PolarHBondContact O-N 2.96Å; C69-C72 HydrophobicContact CB-CB 4.02Å; C69-C72 VanDerWaalsContact CB-SG 3.59Å; C69-C72 PolarHBondContact O-N 3.43Å; C69-C72 VanDerWaalsContact SG-SG 3.65Å; C69-I73 WeakPolarHBondContact O-CG1 3.44Å; C69-I73 PolarHBondContact O-N 3.44Å; C69-S83 WeakPolarHBondContact CB-O 3.49Å; C69-S83 PolarHBondContact N-O 3.4Å; C69-L85 HydrophobicContact CB-CD1 4.3Å; C69-L85 HydrophobicContact CB-CD2 3.88Å; C69-L85 HydrophobicContact CB-CG 4.01Å
70	S	90.9	Very high	90.9	Very high	56 Å²	56	80.4 Å²	80.4	39%	0.392	42%	0.422	S	S	.	.	H	α-helix	trans	-71	-15.4	-179.8	58.4	0	0	0	0	114	K68 K74	K68-S70 PolarHBondContact O-N 3.12Å; K68-S70 VanDerWaalsContact O-N 3.15Å; S70-K74 VanDerWaalsContact O-CG 3.27Å; S70-K74 WeakPolarHBondContact O-CG 3.19Å; S70-K74 PolarHBondContact O-N 3.26Å
71	A	91.3	Very high	90.5	Very high	6 Å²	6	77.3 Å²	77.3	5%	0.05	42%	0.417	C	S	.	.	H	α-helix	trans	-77.3	-49.3	172.1	0	0	0	0	0	111	N35 H51 C69 I73 K74 E75	N35-A71 HydrophobicContact CB-CB 4.15Å; N35-A71 WeakPolarHBondContact OD1-CB 3.46Å; H51-A71 HydrophobicContact CB-CB 4.34Å; H51-A71 WeakPolarHBondContact CD2-CB 3.18Å; C69-A71 PolarHBondContact O-N 2.96Å; A71-I73 PolarHBondContact O-N 3.01Å; A71-K74 PolarHBondContact O-N 3.32Å; A71-E75 PolarHBondContact O-N 2.85Å
72	C	92.6	Very high	90.3	Very high	2 Å²	2	76.7 Å²	76.7	1%	0.014	42%	0.416	C	S	.	.	H	α-helix	trans	-50.7	-42.8	171.6	-62.7	0	0	0	0	112.7	C49 H51 C69 K74 E75 D76 L77 F78 S83	C49-C72 WeakPolarHBondContact CB-SG 3.39Å; H51-C72 PolarHBondContact CE1-N 3.47Å; H51-C72 PolarHBondContact CE1-SG 3.06Å; H51-C72 PolarHBondContact ND1-SG 3.49Å; C69-C72 HydrophobicContact CB-CB 4.02Å; C69-C72 VanDerWaalsContact CB-SG 3.59Å; C69-C72 PolarHBondContact O-N 3.43Å; C69-C72 VanDerWaalsContact SG-SG 3.65Å; C72-K74 VanDerWaalsContact C-N 3.34Å; C72-K74 PolarHBondContact O-N 3.35Å; C72-E75 PolarHBondContact O-N 3.33Å; C72-D76 PolarHBondContact O-N 2.69Å; C72-D76 VanDerWaalsContact O-N 3.14Å; C72-L77 PolarHBondContact O-N 3.02Å; C72-F78 HydrophobicContact CB-CB 4.2Å; C72-F78 HydrophobicContact CB-CD2 4.16Å; C72-S83 PolarHBondContact SG-OG 2.84Å; C72-S83 VanDerWaalsContact SG-OG 3.41Å
73	I	91	Very high	90.2	Very high	94 Å²	94	76.5 Å²	76.5	48%	0.482	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-35	178.5	-65.4	169	0	0	0	112	K68 C69 A71 F78	K68-I73 HydrophobicContact CB-CD1 3.96Å; C69-I73 WeakPolarHBondContact O-CG1 3.44Å; C69-I73 PolarHBondContact O-N 3.44Å; A71-I73 PolarHBondContact O-N 3.01Å; I73-F78 HydrophobicContact CD1-CD2 4.36Å; I73-F78 HydrophobicContact CG1-CB 4.26Å; I73-F78 HydrophobicContact CG1-CD2 3.74Å; I73-F78 HydrophobicContact CG1-CE2 4.46Å; I73-F78 HydrophobicContact CG1-CG 4.12Å
74	K	90.4	Very high	90.3	Very high	170 Å²	170	73.6 Å²	73.6	74%	0.739	39%	0.392	S	S	*	.	H	α-helix	trans	-77.6	-29.6	178.8	-76	174	178.6	-173.6	0	113.3	S70 A71 C72	S70-K74 VanDerWaalsContact O-CG 3.27Å; S70-K74 WeakPolarHBondContact O-CG 3.19Å; S70-K74 PolarHBondContact O-N 3.26Å; A71-K74 PolarHBondContact O-N 3.32Å; C72-K74 VanDerWaalsContact C-N 3.34Å; C72-K74 PolarHBondContact O-N 3.35Å
75	E	91.5	Very high	90.5	Very high	99 Å²	99	68.8 Å²	68.8	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-90.2	-2.3	-179.4	-68.1	168.5	-161.6	0	0	112.6	H51 A71 C72 L77	H51-E75 IonicContact CD2-OE1 2.89Å; H51-E75 IonicContact CD2-OE2 2.67Å; H51-E75 IonicContact CE1-OE2 3.41Å; H51-E75 PolarHBondContact CE1-OE2 2.76Å; H51-E75 IonicContact NE2-OE1 2.76Å; H51-E75 PolarHBondContact NE2-OE1 3Å; H51-E75 IonicContact NE2-OE2 3.99Å; H51-E75 PolarHBondContact NE2-OE2 3.36Å; A71-E75 PolarHBondContact O-N 2.85Å; C72-E75 PolarHBondContact O-N 3.33Å; E75-L77 HydrophobicContact CB-CB 4.42Å; E75-L77 HydrophobicContact CB-CD1 4.02Å; E75-L77 HydrophobicContact CB-CG 4Å; E75-L77 PolarHBondContact O-N 2.7Å
76	D	89.1	Confident	90.7	Very high	152 Å²	152	71.8 Å²	71.8	81%	0.813	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	33.2	-172.5	-151.1	28.8	0	0	0	113.5	C72	C72-D76 PolarHBondContact O-N 2.69Å; C72-D76 VanDerWaalsContact O-N 3.14Å
77	L	91.3	Very high	90.5	Very high	112 Å²	112	72 Å²	72	59%	0.586	37%	0.366	S	S	*	.			trans	-113.5	30.7	-179.7	-59.8	179.2	0	0	0	111.9	C72 E75 E79	C72-L77 PolarHBondContact O-N 3.02Å; E75-L77 HydrophobicContact CB-CB 4.42Å; E75-L77 HydrophobicContact CB-CD1 4.02Å; E75-L77 HydrophobicContact CB-CG 4Å; E75-L77 PolarHBondContact O-N 2.7Å; L77-E79 PolarHBondContact O-N 2.93Å
78	F	91.7	Very high	90.1	Very high	66 Å²	66	72 Å²	72	29%	0.289	39%	0.387	S	S	.	.			trans	-84.3	111.3	-177.1	-175.6	-92.1	0	0	0	112.2	K68 C72 I73 E80 S83 I84	K68-F78 HydrophobicContact CB-CE2 3.8Å; K68-F78 HydrophobicContact CB-CZ 4.3Å; K68-F78 HydrophobicContact CD-CE1 4.33Å; K68-F78 HydrophobicContact CD-CE2 3.9Å; K68-F78 HydrophobicContact CD-CZ 3.54Å; K68-F78 HydrophobicContact CG-CE2 3.92Å; K68-F78 HydrophobicContact CG-CZ 3.9Å; C72-F78 HydrophobicContact CB-CB 4.2Å; C72-F78 HydrophobicContact CB-CD2 4.16Å; I73-F78 HydrophobicContact CD1-CD2 4.36Å; I73-F78 HydrophobicContact CG1-CB 4.26Å; I73-F78 HydrophobicContact CG1-CD2 3.74Å; I73-F78 HydrophobicContact CG1-CE2 4.46Å; I73-F78 HydrophobicContact CG1-CG 4.12Å; F78-E80 HydrophobicContact CE1-CG 3.51Å; F78-E80 WeakPolarHBondContact CE1-OE1 3.28Å; F78-E80 HydrophobicContact CZ-CG 3.65Å; F78-E80 WeakPolarHBondContact CZ-OE1 3.45Å; F78-S83 VanDerWaalsContact CD2-CB 3.44Å; F78-I84 HydrophobicContact CE2-CD1 4.25Å; F78-I84 HydrophobicContact CZ-CD1 3.85Å
79	E	89.3	Confident	89.8	Confident	122 Å²	122	67.5 Å²	67.5	57%	0.57	37%	0.371	S	S	*	.			trans	-124.2	135.3	177.5	179.2	-169.4	-136.4	0	0	110.5	L77 T82 S83	L77-E79 PolarHBondContact O-N 2.93Å; E79-T82 WeakPolarHBondContact CB-OG1 3.43Å; E79-T82 PolarHBondContact O-N 2.94Å; E79-T82 PolarHBondContact O-OG1 3.35Å; E79-T82 PolarHBondContact OE2-OG1 3.35Å; E79-S83 PolarHBondContact N-OG 3.31Å; E79-S83 WeakPolarHBondContact O-CA 3.13Å; E79-S83 WeakPolarHBondContact O-CB 3.2Å; E79-S83 PolarHBondContact O-N 3.39Å; E79-S83 PolarHBondContact O-OG 3.44Å
80	E	84.3	Confident	89.7	Confident	116 Å²	116	68.4 Å²	68.4	54%	0.542	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	133	172	-62.5	-167.2	-178.7	0	0	110.1	K68 F78 I84	K68-E80 VanDerWaalsContact CE-OE1 3.28Å; K68-E80 WeakPolarHBondContact CE-OE1 3.42Å; K68-E80 IonicContact NZ-OE1 2.66Å; K68-E80 PolarHBondContact NZ-OE1 2.99Å; F78-E80 HydrophobicContact CE1-CG 3.51Å; F78-E80 WeakPolarHBondContact CE1-OE1 3.28Å; F78-E80 HydrophobicContact CZ-CG 3.65Å; F78-E80 WeakPolarHBondContact CZ-OE1 3.45Å; E80-I84 HydrophobicContact CG-CD1 4.16Å; E80-I84 HydrophobicContact CG-CG1 4.34Å
81	P	83.8	Confident	89.8	Confident	82 Å²	82	70.8 Å²	70.8	53%	0.532	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	-3.4	11	37	-36.5	0	0	0	115.5	S83 I84	P81-S83 VanDerWaalsContact C-N 3.31Å; P81-S83 PolarHBondContact O-N 3.04Å; P81-I84 WeakPolarHBondContact O-CB 3.35Å; P81-I84 PolarHBondContact O-N 2.99Å; P81-I84 VanDerWaalsContact O-N 3.14Å
82	T	87.6	Confident	89.9	Confident	44 Å²	44	74.4 Å²	74.4	27%	0.27	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.6	-169.1	51.7	0	0	0	0	113.9	C49 E79 I84	C49-T82 PolarHBondContact N-O 2.92Å; E79-T82 WeakPolarHBondContact CB-OG1 3.43Å; E79-T82 PolarHBondContact O-N 2.94Å; E79-T82 PolarHBondContact O-OG1 3.35Å; E79-T82 PolarHBondContact OE2-OG1 3.35Å; T82-I84 VanDerWaalsContact C-N 3.33Å
83	S	91.7	Very high	90.1	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.014	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.7	179.9	-53.9	0	0	0	0	114.1	C69 C72 F78 E79 P81	C69-S83 WeakPolarHBondContact CB-O 3.49Å; C69-S83 PolarHBondContact N-O 3.4Å; C72-S83 PolarHBondContact SG-OG 2.84Å; C72-S83 VanDerWaalsContact SG-OG 3.41Å; F78-S83 VanDerWaalsContact CD2-CB 3.44Å; E79-S83 PolarHBondContact N-OG 3.31Å; E79-S83 WeakPolarHBondContact O-CA 3.13Å; E79-S83 WeakPolarHBondContact O-CB 3.2Å; E79-S83 PolarHBondContact O-N 3.39Å; E79-S83 PolarHBondContact O-OG 3.44Å; P81-S83 VanDerWaalsContact C-N 3.31Å; P81-S83 PolarHBondContact O-N 3.04Å
84	I	92.3	Very high	90.1	Very high	27 Å²	27	74.3 Å²	74.3	14%	0.138	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.4	175.1	-53.6	-58.7	0	0	0	109.8	P66 Q67 K68 F78 E80 P81 T82 K86	P66-I84 HydrophobicContact CB-CG2 3.85Å; Q67-I84 CarbonylContact O-C 3.59Å; K68-I84 HydrophobicContact CG-CD1 3.87Å; F78-I84 HydrophobicContact CE2-CD1 4.25Å; F78-I84 HydrophobicContact CZ-CD1 3.85Å; E80-I84 HydrophobicContact CG-CD1 4.16Å; E80-I84 HydrophobicContact CG-CG1 4.34Å; P81-I84 WeakPolarHBondContact O-CB 3.35Å; P81-I84 PolarHBondContact O-N 2.99Å; P81-I84 VanDerWaalsContact O-N 3.14Å; T82-I84 VanDerWaalsContact C-N 3.33Å; I84-K86 HydrophobicContact CG2-CG 4.16Å; I84-K86 PolarHBondContact O-N 3.43Å
85	L	93.1	Very high	90.3	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	121.9	175.9	-48.9	-176.3	0	0	0	109.7	A47 F53 F58 L61 V62 P66 Q67 C69	A47-L85 HydrophobicContact CB-CD2 3.61Å; F53-L85 HydrophobicContact CE1-CD1 4.38Å; F53-L85 HydrophobicContact CE2-CD1 4.24Å; F53-L85 HydrophobicContact CE2-CD2 4.33Å; F53-L85 HydrophobicContact CZ-CD1 3.85Å; F58-L85 HydrophobicContact CE2-CB 4.12Å; F58-L85 HydrophobicContact CE2-CD1 4.48Å; F58-L85 HydrophobicContact CE2-CD2 4.23Å; F58-L85 HydrophobicContact CZ-CB 4.44Å; L61-L85 HydrophobicContact CD1-CD1 4.48Å; V62-L85 HydrophobicContact CG1-CB 3.91Å; P66-L85 CarbonylContact C-O 3.56Å; P66-L85 VanDerWaalsContact CA-O 3.25Å; P66-L85 WeakPolarHBondContact CA-O 3.28Å; Q67-L85 PolarHBondContact N-O 2.86Å; Q67-L85 WeakPolarHBondContact O-CB 3.19Å; Q67-L85 PolarHBondContact O-N 3.37Å; C69-L85 HydrophobicContact CB-CD1 4.3Å; C69-L85 HydrophobicContact CB-CD2 3.88Å; C69-L85 HydrophobicContact CB-CG 4.01Å
86	K	91.3	Very high	90.3	Very high	85 Å²	85	63.7 Å²	63.7	37%	0.37	37%	0.366	S	S	.	.			trans	-123	154.2	-178.1	-65.2	170.9	-172.6	171.5	0	110.7	F58 P66 I84 G88 G89	F58-K86 WeakPolarHBondContact CE1-O 3.39Å; F58-K86 WeakPolarHBondContact CZ-O 3.4Å; P66-K86 HydrophobicContact CB-CG 4.09Å; P66-K86 HydrophobicContact CG-CG 4.23Å; I84-K86 HydrophobicContact CG2-CG 4.16Å; I84-K86 PolarHBondContact O-N 3.43Å; K86-G88 PolarHBondContact O-N 2.97Å; K86-G89 WeakPolarHBondContact O-CA 3.39Å; K86-G89 PolarHBondContact O-N 2.93Å
87	P	87.8	Confident	90.5	Very high	87 Å²	87	61.3 Å²	61.3	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128.7	166.3	-23.9	34.6	0	0	0	110.6	V62 G89	V62-P87 HydrophobicContact CB-CG 4.14Å; V62-P87 HydrophobicContact CG2-CB 4.32Å; V62-P87 HydrophobicContact CG2-CG 4.09Å; P87-G89 PolarHBondContact O-N 3.47Å
88	G	83.9	Confident	90.6	Very high	79 Å²	79	64 Å²	64	81%	0.814	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-2.1	-173	0	0	0	0	0	115.8	K86 A90	K86-G88 PolarHBondContact O-N 2.97Å; G88-A90 PolarHBondContact O-N 3.3Å
89	G	86.4	Confident	90.6	Very high	12 Å²	12	64.7 Å²	64.7	12%	0.124	35%	0.352	C	S	.	.			trans	-82.5	21.7	-179.9	0	0	0	0	0	115.1	K86 P87	K86-G89 WeakPolarHBondContact O-CA 3.39Å; K86-G89 PolarHBondContact O-N 2.93Å; P87-G89 PolarHBondContact O-N 3.47Å
90	A	91.6	Very high	90.7	Very high	18 Å²	18	59 Å²	59	15%	0.149	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.7	175.4	0	0	0	0	0	109.9	L45 Q46 F58 G88	L45-A90 HydrophobicContact CB-CB 4.1Å; Q46-A90 CarbonylContact O-C 3.54Å; Q46-A90 WeakPolarHBondContact O-CA 3.42Å; Q46-A90 VanDerWaalsContact O-CB 3.28Å; Q46-A90 WeakPolarHBondContact O-CB 3.38Å; F58-A90 HydrophobicContact CD1-CB 4.13Å; F58-A90 HydrophobicContact CD2-CB 3.99Å; F58-A90 HydrophobicContact CE1-CB 3.69Å; F58-A90 HydrophobicContact CE2-CB 3.52Å; F58-A90 HydrophobicContact CG-CB 4.28Å; F58-A90 HydrophobicContact CZ-CB 3.36Å; G88-A90 PolarHBondContact O-N 3.3Å
91	F	93.7	Very high	91.1	Very high	106 Å²	106	56 Å²	56	47%	0.465	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.9	-175.7	57.1	-89.5	0	0	0	111.6	L45 Q46 D93	L45-F91 CarbonylContact C-O 3.49Å; L45-F91 VanDerWaalsContact CA-O 3.26Å; L45-F91 WeakPolarHBondContact CA-O 3.34Å; Q46-F91 HydrophobicContact CB-CD2 4.4Å; Q46-F91 HydrophobicContact CB-CE1 4.27Å; Q46-F91 HydrophobicContact CB-CE2 3.84Å; Q46-F91 HydrophobicContact CB-CZ 3.77Å; Q46-F91 HydrophobicContact CG-CE1 4.43Å; Q46-F91 HydrophobicContact CG-CE2 4.39Å; Q46-F91 HydrophobicContact CG-CZ 3.9Å; Q46-F91 PolarHBondContact N-O 2.98Å; Q46-F91 WeakPolarHBondContact O-CD1 3.25Å; Q46-F91 PolarHBondContact O-N 2.94Å; Q46-F91 VanDerWaalsContact OE1-CZ 3.29Å; F91-D93 PolarHBondContact O-N 3.21Å
92	P	94.6	Very high	91.5	Very high	82 Å²	82	55.6 Å²	55.6	53%	0.532	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	122.3	176.5	-23.3	34.7	0	0	0	112.9	L45 N94	L45-P92 HydrophobicContact CD2-CB 4.29Å; L45-P92 HydrophobicContact CD2-CG 4.11Å; P92-N94 PolarHBondContact O-N 3.09Å
93	D	95.1	Very high	91.7	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.053	31%	0.313	C	S	.	.			trans	-86.7	86.8	176.3	-172.5	-19.1	0	0	0	110	P44 Q46 R52 F91 A95 A96 R97	P44-D93 HydrophobicContact CB-CB 4.25Å; P44-D93 HydrophobicContact CG-CB 4.48Å; P44-D93 PolarHBondContact O-N 3.2Å; Q46-D93 HydrophobicContact CB-CB 4.18Å; R52-D93 IonicContact CZ-OD2 3.17Å; R52-D93 IonicContact NE-OD2 3.75Å; R52-D93 PolarHBondContact NE-OD2 3.11Å; R52-D93 IonicContact NH2-OD2 3.9Å; R52-D93 PolarHBondContact NH2-OD2 3.41Å; F91-D93 PolarHBondContact O-N 3.21Å; D93-A95 PolarHBondContact O-N 2.83Å; D93-A95 WeakPolarHBondContact OD1-CB 3.45Å; D93-A95 PolarHBondContact OD1-N 3.48Å; D93-A96 HydrophobicContact CB-CB 4.14Å; D93-A96 VanDerWaalsContact CG-CB 3.42Å; D93-A96 PolarHBondContact OD1-N 3.49Å; D93-A96 VanDerWaalsContact OD2-CB 3.29Å; D93-A96 WeakPolarHBondContact OD2-CB 3.43Å; D93-R97 VanDerWaalsContact O-CB 3.29Å; D93-R97 WeakPolarHBondContact O-CB 3.47Å; D93-R97 PolarHBondContact O-N 2.7Å
94	N	92.2	Very high	91.8	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-10.4	178.9	-67.2	-49	0	0	0	113.9	P92 R97 R98	P92-N94 PolarHBondContact O-N 3.09Å; N94-R97 PolarHBondContact OD1-NH1 3.09Å; N94-R98 WeakPolarHBondContact O-CG 3.46Å; N94-R98 PolarHBondContact O-NE 3Å
95	A	93.2	Very high	91.9	Very high	46 Å²	46	56 Å²	56	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-81.4	-58.2	172	0	0	0	0	0	109.4	D93 R97 R98 E99	D93-A95 PolarHBondContact O-N 2.83Å; D93-A95 WeakPolarHBondContact OD1-CB 3.45Å; D93-A95 PolarHBondContact OD1-N 3.48Å; A95-R97 PolarHBondContact O-N 2.99Å; A95-R98 PolarHBondContact O-N 3.46Å; A95-E99 PolarHBondContact O-N 3.28Å
96	A	92.1	Very high	91.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-32.1	176.1	0	0	0	0	0	112.4	P44 D93 E99 V100	P44-A96 HydrophobicContact CB-CB 4.35Å; P44-A96 HydrophobicContact CG-CB 4.1Å; D93-A96 HydrophobicContact CB-CB 4.14Å; D93-A96 VanDerWaalsContact CG-CB 3.42Å; D93-A96 PolarHBondContact OD1-N 3.49Å; D93-A96 VanDerWaalsContact OD2-CB 3.29Å; D93-A96 WeakPolarHBondContact OD2-CB 3.43Å; A96-E99 PolarHBondContact O-N 3.21Å; A96-V100 WeakPolarHBondContact O-CB 3.08Å; A96-V100 VanDerWaalsContact O-CG2 3.32Å; A96-V100 WeakPolarHBondContact O-CG2 3.38Å; A96-V100 PolarHBondContact O-N 2.74Å
97	R	93.3	Very high	91.9	Very high	102 Å²	102	54.5 Å²	54.5	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-47.8	174	-164.7	-178.3	94.5	-152.9	3.1	111.8	P44 D93 N94 A95 V100 E101	P44-R97 HydrophobicContact CG-CB 3.8Å; P44-R97 HydrophobicContact CG-CG 4.41Å; D93-R97 VanDerWaalsContact O-CB 3.29Å; D93-R97 WeakPolarHBondContact O-CB 3.47Å; D93-R97 PolarHBondContact O-N 2.7Å; N94-R97 PolarHBondContact OD1-NH1 3.09Å; A95-R97 PolarHBondContact O-N 2.99Å; R97-V100 PolarHBondContact O-N 3Å; R97-E101 VanDerWaalsContact CD-OE1 3.3Å; R97-E101 WeakPolarHBondContact CD-OE1 3.47Å; R97-E101 HydrophobicContact CG-CG 4.32Å; R97-E101 WeakPolarHBondContact CG-OE1 3.47Å; R97-E101 IonicContact CZ-OE1 2.71Å; R97-E101 IonicContact NE-OE1 3.72Å; R97-E101 PolarHBondContact NE-OE1 3.02Å; R97-E101 IonicContact NE-OE2 3.64Å; R97-E101 VanDerWaalsContact O-CB 3.24Å; R97-E101 WeakPolarHBondContact O-CB 3.12Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.48Å
98	R	92.8	Very high	92.1	Very high	169 Å²	169	53 Å²	53	64%	0.638	31%	0.309	S	S	*	.	H	α-helix	trans	-66.7	-38.9	178.9	-75.9	-177.6	-69.6	166.7	1.8	112.3	N94 A95 A102	N94-R98 WeakPolarHBondContact O-CG 3.46Å; N94-R98 PolarHBondContact O-NE 3Å; A95-R98 PolarHBondContact O-N 3.46Å; R98-A102 WeakPolarHBondContact O-CB 3.41Å; R98-A102 PolarHBondContact O-N 2.91Å
99	E	92.4	Very high	92.4	Very high	80 Å²	80	51.5 Å²	51.5	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-51.2	173.8	-70.6	179.3	-147	0	0	111.3	K31 H32 A95 A96 A102 L103	K31-E99 WeakPolarHBondContact CE-OE2 3.25Å; H32-E99 IonicContact CD2-OE2 2.73Å; H32-E99 IonicContact CE1-OE2 2.63Å; H32-E99 IonicContact NE2-OE2 2.73Å; H32-E99 PolarHBondContact NE2-OE2 3.43Å; A95-E99 PolarHBondContact O-N 3.28Å; A96-E99 PolarHBondContact O-N 3.21Å; E99-A102 PolarHBondContact O-N 2.9Å; E99-L103 PolarHBondContact O-N 2.83Å
100	V	92.1	Very high	92.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-43.9	-178.9	171.5	0	0	0	0	112.1	H32 I40 L41 A96 R97 A102 L103 V118	H32-V100 HydrophobicContact CB-CG2 4.02Å; I40-V100 HydrophobicContact CG2-CG1 3.57Å; I40-V100 HydrophobicContact CG2-CG2 4.43Å; L41-V100 HydrophobicContact CB-CG2 4.34Å; L41-V100 WeakPolarHBondContact O-CG1 3.49Å; A96-V100 WeakPolarHBondContact O-CB 3.08Å; A96-V100 VanDerWaalsContact O-CG2 3.32Å; A96-V100 WeakPolarHBondContact O-CG2 3.38Å; A96-V100 PolarHBondContact O-N 2.74Å; R97-V100 PolarHBondContact O-N 3Å; V100-A102 PolarHBondContact O-N 3.31Å; V100-L103 HydrophobicContact CG2-CD1 4.46Å; V100-L103 WeakPolarHBondContact O-CB 3.25Å; V100-L103 PolarHBondContact O-N 3.4Å; V100-L103 VanDerWaalsContact O-N 3.1Å; V100-V118 HydrophobicContact CG1-CG1 4.19Å; V100-V118 WeakPolarHBondContact O-CB 3.48Å
101	E	92.8	Very high	92.2	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-31	177.4	-82.7	173	-169.3	0	0	112.4	R97 T117 R119	R97-E101 VanDerWaalsContact CD-OE1 3.3Å; R97-E101 WeakPolarHBondContact CD-OE1 3.47Å; R97-E101 HydrophobicContact CG-CG 4.32Å; R97-E101 WeakPolarHBondContact CG-OE1 3.47Å; R97-E101 IonicContact CZ-OE1 2.71Å; R97-E101 IonicContact NE-OE1 3.72Å; R97-E101 PolarHBondContact NE-OE1 3.02Å; R97-E101 IonicContact NE-OE2 3.64Å; R97-E101 VanDerWaalsContact O-CB 3.24Å; R97-E101 WeakPolarHBondContact O-CB 3.12Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.48Å; E101-T117 WeakPolarHBondContact O-CB 3.27Å; E101-R119 HydrophobicContact CB-CB 4.01Å; E101-R119 HydrophobicContact CG-CB 4.24Å; E101-R119 WeakPolarHBondContact O-CB 3.46Å; E101-R119 PolarHBondContact O-N 3.47Å; E101-R119 VanDerWaalsContact O-N 3.14Å
102	A	92.3	Very high	92.2	Very high	72 Å²	72	56.6 Å²	56.6	60%	0.595	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7	179.7	0	0	0	0	0	114.8	R98 E99 V100	R98-A102 WeakPolarHBondContact O-CB 3.41Å; R98-A102 PolarHBondContact O-N 2.91Å; E99-A102 PolarHBondContact O-N 2.9Å; V100-A102 PolarHBondContact O-N 3.31Å
103	L	92.1	Very high	92.1	Very high	42 Å²	42	59 Å²	59	22%	0.22	33%	0.332	C	S	.	.	S	Bend	trans	-64.5	138.9	178.6	-68.3	174.8	0	0	0	111.2	L24 H32 E99 V100 A105 T117 V118	L24-L103 HydrophobicContact CD1-CD1 4.4Å; L24-L103 HydrophobicContact CD2-CB 3.62Å; L24-L103 HydrophobicContact CD2-CD1 3.94Å; L24-L103 HydrophobicContact CD2-CG 4.36Å; H32-L103 HydrophobicContact CB-CD1 4.49Å; E99-L103 PolarHBondContact O-N 2.83Å; V100-L103 HydrophobicContact CG2-CD1 4.46Å; V100-L103 WeakPolarHBondContact O-CB 3.25Å; V100-L103 PolarHBondContact O-N 3.4Å; V100-L103 VanDerWaalsContact O-N 3.1Å; L103-A105 PolarHBondContact O-N 2.93Å; L103-T117 CarbonylContact O-C 3.57Å; L103-T117 VanDerWaalsContact O-CA 3.29Å; L103-T117 WeakPolarHBondContact O-CA 3.49Å; L103-V118 HydrophobicContact CB-CG2 3.92Å; L103-V118 PolarHBondContact O-N 3.11Å
104	A	93.2	Very high	92.1	Very high	38 Å²	38	61.1 Å²	61.1	31%	0.314	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.8	176.4	0	0	0	0	0	111.2	L24 A25 G116	L24-A104 WeakPolarHBondContact CD2-O 3.37Å; A25-A104 HydrophobicContact CB-CB 3.9Å; A25-A104 PolarHBondContact N-O 3.43Å; A104-G116 CarbonylContact C-O 3.53Å
105	A	93.1	Very high	92.2	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.6	-175	0	0	0	0	0	113.2	I23 L103 W114 T115 G116 V118 F121	I23-A105 CarbonylContact O-C 3.57Å; I23-A105 WeakPolarHBondContact O-CA 3.41Å; I23-A105 WeakPolarHBondContact O-CB 3.49Å; L103-A105 PolarHBondContact O-N 2.93Å; A105-W114 HydrophobicContact CB-CH2 4.4Å; A105-W114 HydrophobicContact CB-CZ3 4.09Å; A105-T115 CarbonylContact O-C 3.53Å; A105-T115 WeakPolarHBondContact O-CA 3.44Å; A105-G116 PolarHBondContact N-O 3.32Å; A105-G116 PolarHBondContact O-N 3.33Å; A105-V118 HydrophobicContact CB-CG2 4.11Å; A105-F121 HydrophobicContact CB-CB 4.39Å
106	V	93.9	Very high	92.2	Very high	44 Å²	44	60.8 Å²	60.8	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.2	175.1	-60	0	0	0	0	109.5	I23 A25 T115	I23-V106 WeakPolarHBondContact CA-O 3.23Å; I23-V106 PolarHBondContact O-N 3.12Å; A25-V106 HydrophobicContact CB-CG1 3.86Å; V106-T115 HydrophobicContact CG1-CG2 4.02Å
107	C	92.4	Very high	92.3	Very high	14 Å²	14	62.7 Å²	62.7	10%	0.095	35%	0.352	C	S	.	.			trans	-71.7	132.9	174.5	-174.3	0	0	0	0	111.5	N109 C112 W114 H125 C129	C107-N109 VanDerWaalsContact C-N 3.28Å; C107-N109 PolarHBondContact O-N 3.33Å; C107-N109 PolarHBondContact SG-N 3Å; C107-N109 PolarHBondContact SG-ND2 3.48Å; C107-N109 VanDerWaalsContact SG-ND2 3.43Å; C107-C112 HydrophobicContact CB-CB 3.78Å; C107-W114 HydrophobicContact CB-CB 4.14Å; C107-W114 HydrophobicContact CB-CE3 4.43Å; C107-W114 PolarHBondContact N-O 2.88Å; C107-H125 WeakPolarHBondContact CB-NE2 3.33Å; C107-H125 PolarHBondContact SG-NE2 3.09Å; C107-C129 PolarHBondContact SG-SG 3.37Å
108	P	90.3	Very high	92.3	Very high	55 Å²	55	57.9 Å²	57.9	36%	0.357	33%	0.334	S	S	.	.			trans	-82.3	-0.5	178	35.3	-37.8	0	0	0	113.9	K22 I23	K22-P108 HydrophobicContact CB-CB 4.05Å; I23-P108 HydrophobicContact CG2-CG 4.07Å
109	N	90.6	Very high	92.3	Very high	49 Å²	49	58 Å²	58	26%	0.262	33%	0.334	S	S	.	.	S	Bend	trans	-88.8	129.6	-179.8	-61.9	-50.6	0	0	0	110.8	C107 G111 C112 C129 F131	C107-N109 VanDerWaalsContact C-N 3.28Å; C107-N109 PolarHBondContact O-N 3.33Å; C107-N109 PolarHBondContact SG-N 3Å; C107-N109 PolarHBondContact SG-ND2 3.48Å; C107-N109 VanDerWaalsContact SG-ND2 3.43Å; N109-G111 PolarHBondContact O-N 2.89Å; N109-C112 HydrophobicContact CB-CB 4.45Å; N109-C112 WeakPolarHBondContact O-CB 3.27Å; N109-C112 PolarHBondContact O-N 3.21Å; N109-C112 VanDerWaalsContact O-N 3.13Å; N109-C129 PolarHBondContact ND2-SG 3.48Å; N109-F131 HydrophobicContact CB-CB 4.2Å
110	E	87.8	Confident	92.4	Very high	166 Å²	166	58.7 Å²	58.7	78%	0.776	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	128.1	-178.8	-65.1	-177.7	179.8	0	0	112.3
111	G	86.6	Confident	92.4	Very high	52 Å²	52	59.1 Å²	59.1	54%	0.536	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-10.7	-177.4	0	0	0	0	0	114.8	N109 F131	N109-G111 PolarHBondContact O-N 2.89Å; G111-F131 WeakPolarHBondContact O-CE1 3.4Å; G111-F131 WeakPolarHBondContact O-CZ 3.38Å
112	C	92.6	Very high	92.4	Very high	25 Å²	25	59.1 Å²	59.1	17%	0.169	34%	0.34	C	S	.	.			trans	-80.6	125.9	172.8	-166.7	0	0	0	0	111.2	C107 N109 F131	C107-C112 HydrophobicContact CB-CB 3.78Å; N109-C112 HydrophobicContact CB-CB 4.45Å; N109-C112 WeakPolarHBondContact O-CB 3.27Å; N109-C112 PolarHBondContact O-N 3.21Å; N109-C112 VanDerWaalsContact O-N 3.13Å; C112-F131 HydrophobicContact CB-CB 4.06Å; C112-F131 HydrophobicContact CB-CD2 3.93Å; C112-F131 HydrophobicContact CB-CG 4.15Å
113	T	93.6	Very high	92.2	Very high	133 Å²	133	59.7 Å²	59.7	82%	0.816	34%	0.344	S	S	*	.			trans	-92.9	8.7	177.5	52.4	0	0	0	0	113.6	T115	T113-T115 PolarHBondContact O-N 3.47Å
114	W	94.9	Very high	92.1	Very high	53 Å²	53	60.9 Å²	60.9	20%	0.201	36%	0.356	C	S	.	.			trans	-67	130.5	-177	-177.2	94.5	0	0	0	111.8	A105 C107 E120 F121 H125	A105-W114 HydrophobicContact CB-CH2 4.4Å; A105-W114 HydrophobicContact CB-CZ3 4.09Å; C107-W114 HydrophobicContact CB-CB 4.14Å; C107-W114 HydrophobicContact CB-CE3 4.43Å; C107-W114 PolarHBondContact N-O 2.88Å; W114-E120 HydrophobicContact CH2-CB 4.4Å; W114-E120 HydrophobicContact CZ2-CB 3.99Å; W114-F121 HydrophobicContact CE3-CD2 4.16Å; W114-F121 HydrophobicContact CH2-CB 3.59Å; W114-F121 HydrophobicContact CH2-CD2 4.17Å; W114-F121 HydrophobicContact CH2-CG 4.4Å; W114-F121 HydrophobicContact CZ2-CB 4.44Å; W114-F121 HydrophobicContact CZ3-CB 3.91Å; W114-F121 AromaticContact CZ3-CD2 3.69Å; W114-F121 HydrophobicContact CZ3-CD2 3.69Å; W114-F121 HydrophobicContact CZ3-CG 4.29Å; W114-H125 VanDerWaalsContact CB-CE1 3.49Å; W114-H125 WeakPolarHBondContact CB-CE1 3.44Å; W114-H125 AromaticContact CD1-CE1 3.89Å; W114-H125 AromaticContact CD1-ND1 3.49Å; W114-H125 HydrophobicContact CD2-CB 4.14Å; W114-H125 AromaticContact CD2-CD2 3.94Å; W114-H125 AromaticContact CD2-CG 3.73Å; W114-H125 AromaticContact CD2-ND1 3.92Å; W114-H125 AromaticContact CE2-CG 3.97Å; W114-H125 AromaticContact CG-CE1 3.55Å; W114-H125 AromaticContact CG-CG 3.82Å; W114-H125 AromaticContact CG-ND1 3.49Å; W114-H125 AromaticContact CG-NE2 3.93Å; W114-H125 HydrophobicContact CZ2-CB 4.22Å; W114-H125 AromaticContact NE1-ND1 3.89Å
115	T	93.3	Very high	92	Very high	101 Å²	101	60 Å²	60	62%	0.62	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.5	173.7	65.6	0	0	0	0	109.6	A105 V106 T113	A105-T115 CarbonylContact O-C 3.53Å; A105-T115 WeakPolarHBondContact O-CA 3.44Å; V106-T115 HydrophobicContact CG1-CG2 4.02Å; T113-T115 PolarHBondContact O-N 3.47Å
116	G	93.7	Very high	91.9	Very high	24 Å²	24	61.8 Å²	61.8	25%	0.247	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-144.6	-178.9	0	0	0	0	0	111.3	A104 A105	A104-G116 CarbonylContact C-O 3.53Å; A105-G116 PolarHBondContact N-O 3.32Å; A105-G116 PolarHBondContact O-N 3.33Å
117	T	94.8	Very high	91.6	Very high	40 Å²	40	61.9 Å²	61.9	25%	0.245	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	161.8	171.4	59.4	0	0	0	0	111.9	E101 L103 R119 E120 F121	E101-T117 WeakPolarHBondContact O-CB 3.27Å; L103-T117 CarbonylContact O-C 3.57Å; L103-T117 VanDerWaalsContact O-CA 3.29Å; L103-T117 WeakPolarHBondContact O-CA 3.49Å; T117-R119 PolarHBondContact O-N 2.86Å; T117-E120 WeakPolarHBondContact CB-OE2 3.42Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 3.19Å; T117-E120 VanDerWaalsContact O-N 3.11Å; T117-E120 VanDerWaalsContact OG1-CD 3.24Å; T117-E120 WeakPolarHBondContact OG1-CG 3.31Å; T117-E120 PolarHBondContact OG1-N 2.96Å; T117-E120 PolarHBondContact OG1-OE2 3.45Å; T117-F121 PolarHBondContact O-N 3.22Å
118	V	92.9	Very high	91.4	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-57.8	-34.2	173.6	173.9	0	0	0	0	111.6	F19 I23 L24 V100 L103 A105 F121 E122	F19-V118 HydrophobicContact CD1-CG1 4.35Å; F19-V118 HydrophobicContact CD2-CG1 3.84Å; F19-V118 HydrophobicContact CE1-CG1 4.14Å; F19-V118 HydrophobicContact CE2-CG1 3.59Å; F19-V118 HydrophobicContact CG-CG1 4.21Å; F19-V118 HydrophobicContact CZ-CG1 3.75Å; I23-V118 HydrophobicContact CD1-CG1 4.37Å; I23-V118 HydrophobicContact CD1-CG2 4.14Å; L24-V118 HydrophobicContact CD2-CG2 3.97Å; V100-V118 HydrophobicContact CG1-CG1 4.19Å; V100-V118 WeakPolarHBondContact O-CB 3.48Å; L103-V118 HydrophobicContact CB-CG2 3.92Å; L103-V118 PolarHBondContact O-N 3.11Å; A105-V118 HydrophobicContact CB-CG2 4.11Å; V118-F121 PolarHBondContact O-N 3.49Å; V118-E122 PolarHBondContact O-N 2.8Å
119	R	93.2	Very high	91.5	Very high	170 Å²	170	64.3 Å²	64.3	64%	0.642	37%	0.373	S	S	*	.	H	α-helix	trans	-61.1	-46.7	173.7	-178.9	178.2	172.2	-161.4	-3.7	112.3	E101 T117 E122 A123	E101-R119 HydrophobicContact CB-CB 4.01Å; E101-R119 HydrophobicContact CG-CB 4.24Å; E101-R119 WeakPolarHBondContact O-CB 3.46Å; E101-R119 PolarHBondContact O-N 3.47Å; E101-R119 VanDerWaalsContact O-N 3.14Å; T117-R119 PolarHBondContact O-N 2.86Å; R119-E122 PolarHBondContact O-N 3.31Å; R119-A123 VanDerWaalsContact O-CB 3.28Å; R119-A123 WeakPolarHBondContact O-CB 3.49Å; R119-A123 PolarHBondContact O-N 3.42Å
120	E	93.6	Very high	91.6	Very high	95 Å²	95	66.7 Å²	66.7	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-69.2	-36.8	178	-68.8	157.5	143.7	0	0	111.3	W114 T117 A123 S124	W114-E120 HydrophobicContact CH2-CB 4.4Å; W114-E120 HydrophobicContact CZ2-CB 3.99Å; T117-E120 WeakPolarHBondContact CB-OE2 3.42Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 3.19Å; T117-E120 VanDerWaalsContact O-N 3.11Å; T117-E120 VanDerWaalsContact OG1-CD 3.24Å; T117-E120 WeakPolarHBondContact OG1-CG 3.31Å; T117-E120 PolarHBondContact OG1-N 2.96Å; T117-E120 PolarHBondContact OG1-OE2 3.45Å; E120-A123 PolarHBondContact O-N 3.43Å; E120-S124 PolarHBondContact O-N 3.18Å; E120-S124 PolarHBondContact O-OG 3.47Å
121	F	92.9	Very high	91.8	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.057	36%	0.36	C	S	.	.	I	π-helix	trans	-57.5	-50.2	173.2	-177.2	-94.4	0	0	0	111.4	F19 I23 A105 W114 T117 V118 A123 H125 E126	F19-F121 HydrophobicContact CD1-CD1 4.37Å; I23-F121 HydrophobicContact CD1-CD1 3.71Å; I23-F121 HydrophobicContact CD1-CE1 4.01Å; I23-F121 HydrophobicContact CD1-CG 4.14Å; I23-F121 HydrophobicContact CG2-CE1 4.06Å; I23-F121 HydrophobicContact CG2-CE2 4.22Å; I23-F121 HydrophobicContact CG2-CZ 3.8Å; A105-F121 HydrophobicContact CB-CB 4.39Å; W114-F121 HydrophobicContact CE3-CD2 4.16Å; W114-F121 HydrophobicContact CH2-CB 3.59Å; W114-F121 HydrophobicContact CH2-CD2 4.17Å; W114-F121 HydrophobicContact CH2-CG 4.4Å; W114-F121 HydrophobicContact CZ2-CB 4.44Å; W114-F121 HydrophobicContact CZ3-CB 3.91Å; W114-F121 AromaticContact CZ3-CD2 3.69Å; W114-F121 HydrophobicContact CZ3-CD2 3.69Å; W114-F121 HydrophobicContact CZ3-CG 4.29Å; T117-F121 PolarHBondContact O-N 3.22Å; V118-F121 PolarHBondContact O-N 3.49Å; F121-A123 PolarHBondContact O-N 3.17Å; F121-H125 HydrophobicContact CD2-CB 4.2Å; F121-H125 AromaticContact CE2-CD2 3.88Å; F121-H125 PolarHBondContact O-N 3.26Å; F121-H125 VanDerWaalsContact O-N 3.16Å; F121-E126 HydrophobicContact CD1-CB 4.03Å; F121-E126 HydrophobicContact CE1-CB 3.72Å; F121-E126 HydrophobicContact CE1-CG 3.8Å; F121-E126 HydrophobicContact CZ-CB 4.24Å; F121-E126 HydrophobicContact CZ-CG 4.32Å; F121-E126 WeakPolarHBondContact O-CB 3.37Å; F121-E126 PolarHBondContact O-N 3.38Å
122	E	92	Very high	92.1	Very high	53 Å²	53	61.5 Å²	61.5	25%	0.248	35%	0.347	C	S	.	.	I	π-helix	trans	-64.2	-39.2	177.7	-171.1	165.7	-148.6	0	0	112.6	F19 R42 R43 V118 R119	F19-E122 HydrophobicContact CE1-CB 3.81Å; F19-E122 HydrophobicContact CE1-CG 4.09Å; F19-E122 HydrophobicContact CZ-CB 4.06Å; F19-E122 HydrophobicContact CZ-CG 4.29Å; F19-E122 WeakPolarHBondContact CZ-OE2 3.39Å; R42-E122 WeakPolarHBondContact CD-OE1 3.45Å; R42-E122 IonicContact CZ-OE1 3.68Å; R42-E122 IonicContact NE-OE1 3.42Å; R42-E122 IonicContact NH1-OE1 2.65Å; R42-E122 PolarHBondContact NH1-OE1 2.97Å; R43-E122 IonicContact CZ-OE1 3.78Å; R43-E122 IonicContact NH1-OE1 2.77Å; R43-E122 PolarHBondContact NH1-OE1 3.32Å; R43-E122 IonicContact NH1-OE2 3.68Å; R43-E122 IonicContact NH2-OE1 3.4Å; V118-E122 PolarHBondContact O-N 2.8Å; R119-E122 PolarHBondContact O-N 3.31Å
123	A	89.8	Confident	92	Very high	84 Å²	84	65.1 Å²	65.1	69%	0.694	36%	0.363	S	S	*	.	I	π-helix	trans	-78.5	-35.7	-172	0	0	0	0	0	114.4	R119 E120 F121	R119-A123 VanDerWaalsContact O-CB 3.28Å; R119-A123 WeakPolarHBondContact O-CB 3.49Å; R119-A123 PolarHBondContact O-N 3.42Å; E120-A123 PolarHBondContact O-N 3.43Å; F121-A123 PolarHBondContact O-N 3.17Å
124	S	89.1	Confident	92	Very high	66 Å²	66	61 Å²	61	46%	0.462	34%	0.336	S	S	.	.	I	π-helix	trans	-125.6	-29.9	-171.3	69.2	0	0	0	0	115	E120 N128	E120-S124 PolarHBondContact O-N 3.18Å; E120-S124 PolarHBondContact O-OG 3.47Å; S124-N128 WeakPolarHBondContact O-CB 3.46Å; S124-N128 PolarHBondContact O-ND2 3.1Å
125	H	91.8	Very high	91.9	Very high	20 Å²	20	63.8 Å²	63.8	9%	0.093	35%	0.353	C	S	.	.	I	π-helix	trans	-106.6	-30.2	-167.4	-158.6	72	0	0	0	114.8	C107 W114 F121 G127 N128 C129	C107-H125 WeakPolarHBondContact CB-NE2 3.33Å; C107-H125 PolarHBondContact SG-NE2 3.09Å; W114-H125 VanDerWaalsContact CB-CE1 3.49Å; W114-H125 WeakPolarHBondContact CB-CE1 3.44Å; W114-H125 AromaticContact CD1-CE1 3.89Å; W114-H125 AromaticContact CD1-ND1 3.49Å; W114-H125 HydrophobicContact CD2-CB 4.14Å; W114-H125 AromaticContact CD2-CD2 3.94Å; W114-H125 AromaticContact CD2-CG 3.73Å; W114-H125 AromaticContact CD2-ND1 3.92Å; W114-H125 AromaticContact CE2-CG 3.97Å; W114-H125 AromaticContact CG-CE1 3.55Å; W114-H125 AromaticContact CG-CG 3.82Å; W114-H125 AromaticContact CG-ND1 3.49Å; W114-H125 AromaticContact CG-NE2 3.93Å; W114-H125 HydrophobicContact CZ2-CB 4.22Å; W114-H125 AromaticContact NE1-ND1 3.89Å; F121-H125 HydrophobicContact CD2-CB 4.2Å; F121-H125 AromaticContact CE2-CD2 3.88Å; F121-H125 PolarHBondContact O-N 3.26Å; F121-H125 VanDerWaalsContact O-N 3.16Å; H125-G127 PolarHBondContact O-N 2.97Å; H125-N128 PolarHBondContact O-N 3.3Å; H125-C129 WeakPolarHBondContact NE2-CB 3.34Å; H125-C129 PolarHBondContact NE2-SG 2.69Å; H125-C129 VanDerWaalsContact NE2-SG 3.42Å
126	E	90.3	Very high	91.7	Very high	39 Å²	39	59 Å²	59	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	94.9	-174.6	-171.5	-179.3	-121.1	0	0	112.6	K16 R42 F121	K16-E126 WeakPolarHBondContact CD-OE2 3.48Å; K16-E126 WeakPolarHBondContact CE-OE2 3.34Å; K16-E126 IonicContact NZ-OE2 3.59Å; K16-E126 PolarHBondContact NZ-OE2 3.16Å; R42-E126 IonicContact CZ-OE1 3.93Å; R42-E126 IonicContact CZ-OE2 2.7Å; R42-E126 IonicContact NH1-OE1 3.95Å; R42-E126 IonicContact NH1-OE2 3.59Å; R42-E126 PolarHBondContact NH1-OE2 2.76Å; R42-E126 IonicContact NH2-OE1 2.73Å; R42-E126 PolarHBondContact NH2-OE1 3.19Å; R42-E126 IonicContact NH2-OE2 3.66Å; R42-E126 PolarHBondContact NH2-OE2 3.44Å; F121-E126 HydrophobicContact CD1-CB 4.03Å; F121-E126 HydrophobicContact CE1-CB 3.72Å; F121-E126 HydrophobicContact CE1-CG 3.8Å; F121-E126 HydrophobicContact CZ-CB 4.24Å; F121-E126 HydrophobicContact CZ-CG 4.32Å; F121-E126 WeakPolarHBondContact O-CB 3.37Å; F121-E126 PolarHBondContact O-N 3.38Å
127	G	87.6	Confident	91.3	Very high	47 Å²	47	62.1 Å²	62.1	49%	0.485	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.2	-1.9	-177.8	0	0	0	0	0	114.2	H125 M132	H125-G127 PolarHBondContact O-N 2.97Å; G127-M132 VanDerWaalsContact O-SD 3.4Å
128	N	89.1	Confident	90.9	Very high	118 Å²	118	63.8 Å²	63.8	63%	0.631	35%	0.352	S	S	*	.			trans	-117.4	21.3	179.7	-55.9	-33.5	0	0	0	112	S124 H125	S124-N128 WeakPolarHBondContact O-CB 3.46Å; S124-N128 PolarHBondContact O-ND2 3.1Å; H125-N128 PolarHBondContact O-N 3.3Å
129	C	92.3	Very high	90.6	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.014	36%	0.364	C	S	.	.			trans	-87	118.3	-176	177.6	0	0	0	0	110.6	C107 N109 H125 F131 M132	C107-C129 PolarHBondContact SG-SG 3.37Å; N109-C129 PolarHBondContact ND2-SG 3.48Å; H125-C129 WeakPolarHBondContact NE2-CB 3.34Å; H125-C129 PolarHBondContact NE2-SG 2.69Å; H125-C129 VanDerWaalsContact NE2-SG 3.42Å; C129-F131 PolarHBondContact O-N 2.85Å; C129-M132 HydrophobicContact CB-CB 4.21Å; C129-M132 WeakPolarHBondContact O-CB 3.47Å; C129-M132 WeakPolarHBondContact O-CG 3.42Å; C129-M132 PolarHBondContact O-N 2.91Å
130	D	91.6	Very high	90.4	Very high	98 Å²	98	63.4 Å²	63.4	52%	0.524	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.7	177	-71.8	-22.1	0	0	0	115.1	A145 N146	D130-A145 PolarHBondContact O-N 3.03Å; D130-A145 VanDerWaalsContact O-N 3.17Å; D130-N146 HydrophobicContact CB-CB 3.96Å; D130-N146 VanDerWaalsContact O-CG 3.26Å; D130-N146 PolarHBondContact O-N 3.37Å; D130-N146 PolarHBondContact O-OD1 3.32Å
131	F	92.5	Very high	90.2	Very high	58 Å²	58	63.8 Å²	63.8	25%	0.254	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.4	-178.2	-65.5	-97	0	0	0	113.7	N109 G111 C112 C129	N109-F131 HydrophobicContact CB-CB 4.2Å; G111-F131 WeakPolarHBondContact O-CE1 3.4Å; G111-F131 WeakPolarHBondContact O-CZ 3.38Å; C112-F131 HydrophobicContact CB-CB 4.06Å; C112-F131 HydrophobicContact CB-CD2 3.93Å; C112-F131 HydrophobicContact CB-CG 4.15Å; C129-F131 PolarHBondContact O-N 2.85Å
132	M	91.9	Very high	90.1	Very high	51 Å²	51	69 Å²	69	25%	0.251	39%	0.389	S	S	.	.	S	Bend	trans	-67.4	141	175.4	79.8	-170.3	-84.9	0	0	110.3	G127 C129 I134 R144 A145	G127-M132 VanDerWaalsContact O-SD 3.4Å; C129-M132 HydrophobicContact CB-CB 4.21Å; C129-M132 WeakPolarHBondContact O-CB 3.47Å; C129-M132 WeakPolarHBondContact O-CG 3.42Å; C129-M132 PolarHBondContact O-N 2.91Å; M132-I134 HydrophobicContact CE-CG2 4.16Å; M132-I134 HydrophobicContact CG-CG2 3.8Å; M132-I134 PolarHBondContact O-N 3.44Å; M132-I134 HydrophobicContact SD-CG2 4.4Å; M132-R144 WeakPolarHBondContact O-CA 3.41Å; M132-A145 HydrophobicContact CG-CB 4.13Å; M132-A145 PolarHBondContact O-N 3.47Å
133	I	92.1	Very high	90	Very high	101 Å²	101	67.2 Å²	67.2	52%	0.518	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.8	175.1	-55.6	-56.7	0	0	0	109.1	L142 M143 R144	I133-L142 HydrophobicContact CG2-CB 3.92Å; I133-L142 HydrophobicContact CG2-CD2 4.32Å; I133-M143 CarbonylContact C-O 3.48Å; I133-M143 WeakPolarHBondContact CA-O 2.78Å; I133-R144 HydrophobicContact CD1-CG 3.8Å
134	I	92.4	Very high	90.2	Very high	48 Å²	48	67.5 Å²	67.5	25%	0.246	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	162.8	174.4	65.3	171.5	0	0	0	110.4	M132 L142 M143 A145 Q148	M132-I134 HydrophobicContact CE-CG2 4.16Å; M132-I134 HydrophobicContact CG-CG2 3.8Å; M132-I134 PolarHBondContact O-N 3.44Å; M132-I134 HydrophobicContact SD-CG2 4.4Å; I134-L142 WeakPolarHBondContact O-CA 3.2Å; I134-M143 HydrophobicContact CG1-CG 4.35Å; I134-M143 PolarHBondContact N-O 3.31Å; I134-M143 PolarHBondContact O-N 3.12Å; I134-A145 HydrophobicContact CD1-CB 4.11Å; I134-A145 HydrophobicContact CG1-CB 4.47Å; I134-A145 HydrophobicContact CG2-CB 4.32Å; I134-Q148 HydrophobicContact CD1-CB 4.06Å; I134-Q148 HydrophobicContact CD1-CG 4.04Å; I134-Q148 VanDerWaalsContact CD1-OE1 3.24Å
135	M	92.3	Very high	90.3	Very high	110 Å²	110	65.8 Å²	65.8	54%	0.542	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.7	178.5	179.2	-178.9	58.5	0	0	109.6	P137 K140 E141 L142	M135-P137 WeakPolarHBondContact O-CD 3.4Å; M135-K140 HydrophobicContact CE-CD 4.48Å; M135-K140 HydrophobicContact CG-CB 4.35Å; M135-K140 HydrophobicContact CG-CD 4.47Å; M135-K140 HydrophobicContact SD-CB 4.2Å; M135-K140 HydrophobicContact SD-CD 4.06Å; M135-E141 WeakPolarHBondContact CA-O 3.3Å; M135-L142 HydrophobicContact CB-CD2 3.94Å; M135-L142 HydrophobicContact CG-CD2 4.38Å
136	C	89.3	Confident	90.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.369	C	S	.	.			trans	-59.7	126.2	176.7	175.4	0	0	0	0	110.7	S138 C139 K140 E141 M143 H151	C136-S138 PolarHBondContact O-N 3.44Å; C136-C139 VanDerWaalsContact CB-SG 3.59Å; C136-C139 PolarHBondContact SG-SG 3Å; C136-K140 VanDerWaalsContact O-CA 3.28Å; C136-K140 WeakPolarHBondContact O-CA 3.4Å; C136-K140 PolarHBondContact O-N 3.05Å; C136-E141 PolarHBondContact N-O 2.85Å; C136-M143 HydrophobicContact CB-CE 3.59Å; C136-M143 HydrophobicContact CB-SD 4.1Å; C136-H151 PolarHBondContact SG-NE2 2.82Å
137	P	87.1	Confident	90.3	Very high	91 Å²	91	69 Å²	69	59%	0.591	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32	-178.9	-27.5	35.8	0	0	0	113.9	M135 K140	M135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-K140 PolarHBondContact O-NZ 3.33Å
138	S	84.7	Confident	90.4	Very high	74 Å²	74	68.1 Å²	68.1	52%	0.517	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-59.2	-173.2	-53.6	0	0	0	0	113.2	C136	C136-S138 PolarHBondContact O-N 3.44Å
139	C	87.1	Confident	90.3	Very high	36 Å²	36	69.4 Å²	69.4	24%	0.243	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.4	-175.8	66	0	0	0	0	114.9	C136 E141 H151	C136-C139 VanDerWaalsContact CB-SG 3.59Å; C136-C139 PolarHBondContact SG-SG 3Å; C139-E141 PolarHBondContact O-N 3.01Å; C139-E141 WeakPolarHBondContact SG-CB 3.47Å; C139-H151 PolarHBondContact SG-NE2 3.12Å
140	K	88.6	Confident	90.1	Very high	127 Å²	127	74.4 Å²	74.4	55%	0.552	38%	0.375	S	S	*	.			trans	64.2	10.5	-175.5	-47.6	-52.7	-174.4	-166.3	0	116.1	M135 C136 P137	M135-K140 HydrophobicContact CE-CD 4.48Å; M135-K140 HydrophobicContact CG-CB 4.35Å; M135-K140 HydrophobicContact CG-CD 4.47Å; M135-K140 HydrophobicContact SD-CB 4.2Å; M135-K140 HydrophobicContact SD-CD 4.06Å; C136-K140 VanDerWaalsContact O-CA 3.28Å; C136-K140 WeakPolarHBondContact O-CA 3.4Å; C136-K140 PolarHBondContact O-N 3.05Å; P137-K140 PolarHBondContact O-NZ 3.33Å
141	E	89.8	Confident	90	Very high	104 Å²	104	69.9 Å²	69.9	49%	0.486	35%	0.351	S	S	.	.			trans	-68.3	151.5	173	-167.8	162.7	-154.7	0	0	111.6	M135 C136 C139 M143 H151	M135-E141 WeakPolarHBondContact CA-O 3.3Å; C136-E141 PolarHBondContact N-O 2.85Å; C139-E141 PolarHBondContact O-N 3.01Å; C139-E141 WeakPolarHBondContact SG-CB 3.47Å; E141-M143 HydrophobicContact CB-CE 3.94Å; E141-M143 HydrophobicContact CG-CE 4.22Å; E141-H151 IonicContact OE2-CE1 2.69Å; E141-H151 PolarHBondContact OE2-CE1 3.17Å; E141-H151 VanDerWaalsContact OE2-CE1 3.29Å; E141-H151 IonicContact OE2-ND1 3.42Å
142	L	91.6	Very high	89.7	Confident	123 Å²	123	70.5 Å²	70.5	64%	0.644	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.7	179.8	-63.4	177.4	0	0	0	110.4	I133 I134 M135	I133-L142 HydrophobicContact CG2-CB 3.92Å; I133-L142 HydrophobicContact CG2-CD2 4.32Å; I134-L142 WeakPolarHBondContact O-CA 3.2Å; M135-L142 HydrophobicContact CB-CD2 3.94Å; M135-L142 HydrophobicContact CG-CD2 4.38Å
143	M	90.3	Very high	89.3	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.069	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	166.5	-178.1	60.2	-152.7	57.8	0	0	111.3	I133 I134 C136 E141 H151	I133-M143 CarbonylContact C-O 3.48Å; I133-M143 WeakPolarHBondContact CA-O 2.78Å; I134-M143 HydrophobicContact CG1-CG 4.35Å; I134-M143 PolarHBondContact N-O 3.31Å; I134-M143 PolarHBondContact O-N 3.12Å; C136-M143 HydrophobicContact CB-CE 3.59Å; C136-M143 HydrophobicContact CB-SD 4.1Å; E141-M143 HydrophobicContact CB-CE 3.94Å; E141-M143 HydrophobicContact CG-CE 4.22Å; M143-H151 HydrophobicContact CE-CB 4.19Å; M143-H151 VanDerWaalsContact CE-CG 3.45Å; M143-H151 WeakPolarHBondContact CE-ND1 3.33Å; M143-H151 HydrophobicContact SD-CB 3.54Å; M143-H151 VanDerWaalsContact SD-CB 3.54Å; M143-H151 VanDerWaalsContact SD-CD2 3.6Å
144	R	92.6	Very high	88.8	Confident	91 Å²	91	77 Å²	77	34%	0.343	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.3	171.2	-67.7	171.9	171.5	166.3	-1.4	110.6	M132 I133 N146 E147 Q148	M132-R144 WeakPolarHBondContact O-CA 3.41Å; I133-R144 HydrophobicContact CD1-CG 3.8Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 VanDerWaalsContact CB-OD1 3.3Å; R144-N146 WeakPolarHBondContact CB-OD1 3.43Å; R144-N146 PolarHBondContact O-N 3.5Å; R144-E147 HydrophobicContact CB-CG 4.11Å; R144-E147 PolarHBondContact O-N 3Å; R144-Q148 PolarHBondContact O-N 3.24Å
145	A	91.5	Very high	88.4	Confident	29 Å²	29	79.1 Å²	79.1	24%	0.24	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-57.5	-38.2	-178.2	0	0	0	0	0	113.2	D130 M132 I134 E147 Q148	D130-A145 PolarHBondContact O-N 3.03Å; D130-A145 VanDerWaalsContact O-N 3.17Å; M132-A145 HydrophobicContact CG-CB 4.13Å; M132-A145 PolarHBondContact O-N 3.47Å; I134-A145 HydrophobicContact CD1-CB 4.11Å; I134-A145 HydrophobicContact CG1-CB 4.47Å; I134-A145 HydrophobicContact CG2-CB 4.32Å; A145-E147 VanDerWaalsContact C-N 3.25Å; A145-E147 PolarHBondContact O-N 3.3Å; A145-Q148 VanDerWaalsContact O-CB 3.3Å; A145-Q148 WeakPolarHBondContact O-CB 3.28Å; A145-Q148 PolarHBondContact O-N 2.89Å
146	N	91.1	Very high	88.1	Confident	76 Å²	76	74 Å²	74	41%	0.406	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-70.8	-12.6	174.8	61.1	2	0	0	0	115	D130 R144	D130-N146 HydrophobicContact CB-CB 3.96Å; D130-N146 VanDerWaalsContact O-CG 3.26Å; D130-N146 PolarHBondContact O-N 3.37Å; D130-N146 PolarHBondContact O-OD1 3.32Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 VanDerWaalsContact CB-OD1 3.3Å; R144-N146 WeakPolarHBondContact CB-OD1 3.43Å; R144-N146 PolarHBondContact O-N 3.5Å
147	E	90.6	Very high	87.8	Confident	52 Å²	52	77.6 Å²	77.6	24%	0.243	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-93.8	-10.3	176.3	-60.3	-172.4	110.3	0	0	112.7	R144 A145 E149 R150 H151	R144-E147 HydrophobicContact CB-CG 4.11Å; R144-E147 PolarHBondContact O-N 3Å; A145-E147 VanDerWaalsContact C-N 3.25Å; A145-E147 PolarHBondContact O-N 3.3Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 2.75Å; E147-R150 PolarHBondContact O-N 3.38Å; E147-R150 IonicContact OE1-CZ 3.05Å; E147-R150 VanDerWaalsContact OE1-CZ 3.26Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 3.23Å; E147-R150 IonicContact OE1-NH2 2.7Å; E147-R150 PolarHBondContact OE1-NH2 2.89Å; E147-H151 WeakPolarHBondContact O-CB 3.5Å; E147-H151 PolarHBondContact O-N 3.32Å
148	Q	89.5	Confident	87.6	Confident	28 Å²	28	75.9 Å²	75.9	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-38.8	-173.3	-174.3	62.5	78.5	0	0	113.5	I134 R144 A145 N152	I134-Q148 HydrophobicContact CD1-CB 4.06Å; I134-Q148 HydrophobicContact CD1-CG 4.04Å; I134-Q148 VanDerWaalsContact CD1-OE1 3.24Å; R144-Q148 PolarHBondContact O-N 3.24Å; A145-Q148 VanDerWaalsContact O-CB 3.3Å; A145-Q148 WeakPolarHBondContact O-CB 3.28Å; A145-Q148 PolarHBondContact O-N 2.89Å; Q148-N152 PolarHBondContact NE2-OD1 2.63Å; Q148-N152 VanDerWaalsContact O-CB 3.31Å; Q148-N152 WeakPolarHBondContact O-CB 3.39Å; Q148-N152 PolarHBondContact O-N 3.09Å; Q148-N152 PolarHBondContact O-ND2 3.22Å; Q148-N152 PolarHBondContact O-OD1 2.81Å
149	E	87.5	Confident	87.6	Confident	144 Å²	144	75.8 Å²	75.8	67%	0.673	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-51.2	177.7	-174	172.6	-140	0	0	111	E147 H151 N152 E153	E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 2.75Å; E149-H151 VanDerWaalsContact C-N 3.27Å; E149-H151 PolarHBondContact O-N 3.09Å; E149-N152 PolarHBondContact O-N 3.22Å; E149-E153 PolarHBondContact O-N 2.86Å
150	R	88.6	Confident	87.5	Confident	108 Å²	108	78.3 Å²	78.3	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-55.2	-44.3	175	-169.6	-173.3	78.6	-134.5	-2.9	111.3	E147 R154 E155	E147-R150 PolarHBondContact O-N 3.38Å; E147-R150 IonicContact OE1-CZ 3.05Å; E147-R150 VanDerWaalsContact OE1-CZ 3.26Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 3.23Å; E147-R150 IonicContact OE1-NH2 2.7Å; E147-R150 PolarHBondContact OE1-NH2 2.89Å; R150-R154 VanDerWaalsContact O-CB 3.29Å; R150-R154 WeakPolarHBondContact O-CB 3.36Å; R150-R154 PolarHBondContact O-N 3.01Å; R150-E155 IonicContact CZ-OE1 2.59Å; R150-E155 IonicContact NE-OE1 3.28Å; R150-E155 PolarHBondContact NE-OE1 3.33Å; R150-E155 IonicContact NH2-OE1 2.69Å; R150-E155 PolarHBondContact NH2-OE1 3.26Å; R150-E155 IonicContact NH2-OE2 3.99Å
151	H	88.9	Confident	87.3	Confident	3 Å²	3	75.6 Å²	75.6	1%	0.014	36%	0.362	C	S	.	.	I	π-helix	trans	-61	-54	176.5	174.7	84.8	0	0	0	111.3	C136 C139 E141 M143 E147 E149 E153 R154 E155 C156	C136-H151 PolarHBondContact SG-NE2 2.82Å; C139-H151 PolarHBondContact SG-NE2 3.12Å; E141-H151 IonicContact OE2-CE1 2.69Å; E141-H151 PolarHBondContact OE2-CE1 3.17Å; E141-H151 VanDerWaalsContact OE2-CE1 3.29Å; E141-H151 IonicContact OE2-ND1 3.42Å; M143-H151 HydrophobicContact CE-CB 4.19Å; M143-H151 VanDerWaalsContact CE-CG 3.45Å; M143-H151 WeakPolarHBondContact CE-ND1 3.33Å; M143-H151 HydrophobicContact SD-CB 3.54Å; M143-H151 VanDerWaalsContact SD-CB 3.54Å; M143-H151 VanDerWaalsContact SD-CD2 3.6Å; E147-H151 WeakPolarHBondContact O-CB 3.5Å; E147-H151 PolarHBondContact O-N 3.32Å; E149-H151 VanDerWaalsContact C-N 3.27Å; E149-H151 PolarHBondContact O-N 3.09Å; H151-E153 VanDerWaalsContact C-N 3.28Å; H151-E153 PolarHBondContact O-N 3.32Å; H151-R154 PolarHBondContact O-N 2.97Å; H151-E155 IonicContact ND1-OE2 2.88Å; H151-E155 PolarHBondContact O-N 3.5Å; H151-C156 VanDerWaalsContact NE2-CB 3.3Å; H151-C156 WeakPolarHBondContact NE2-CB 3.43Å; H151-C156 PolarHBondContact NE2-SG 3.48Å; H151-C156 VanDerWaalsContact NE2-SG 3.4Å; H151-C156 WeakPolarHBondContact O-CB 3.42Å; H151-C156 PolarHBondContact O-N 3.49Å
152	N	85.7	Confident	87.1	Confident	71 Å²	71	75.8 Å²	75.8	38%	0.38	37%	0.367	S	S	.	.	I	π-helix	trans	-55.4	-42.4	-178.5	-74.8	-14.5	0	0	0	112.5	Q148 E149 R159	Q148-N152 PolarHBondContact NE2-OD1 2.63Å; Q148-N152 VanDerWaalsContact O-CB 3.31Å; Q148-N152 WeakPolarHBondContact O-CB 3.39Å; Q148-N152 PolarHBondContact O-N 3.09Å; Q148-N152 PolarHBondContact O-ND2 3.22Å; Q148-N152 PolarHBondContact O-OD1 2.81Å; E149-N152 PolarHBondContact O-N 3.22Å; N152-R159 WeakPolarHBondContact O-CB 3.47Å
153	E	83.8	Confident	87	Confident	113 Å²	113	70 Å²	70	53%	0.528	34%	0.336	S	S	.	.	I	π-helix	trans	-75	-46.5	179.1	-68.9	-167.9	155.2	0	0	113.2	E149 H151 R159	E149-E153 PolarHBondContact O-N 2.86Å; H151-E153 VanDerWaalsContact C-N 3.28Å; H151-E153 PolarHBondContact O-N 3.32Å; E153-R159 WeakPolarHBondContact O-CD 3.37Å; E153-R159 PolarHBondContact O-NH1 3.22Å
154	R	82.4	Confident	86.9	Confident	174 Å²	174	74.6 Å²	74.6	66%	0.657	36%	0.356	S	S	*	.	I	π-helix	trans	-110	-37.2	-159.5	-58	-169	-179.4	-147.6	-1.2	114.5	R150 H151 R159	R150-R154 VanDerWaalsContact O-CB 3.29Å; R150-R154 WeakPolarHBondContact O-CB 3.36Å; R150-R154 PolarHBondContact O-N 3.01Å; H151-R154 PolarHBondContact O-N 2.97Å; R154-R159 VanDerWaalsContact C-NH1 3.33Å; R154-R159 VanDerWaalsContact CA-NH1 3.32Å; R154-R159 PolarHBondContact O-NH1 2.86Å
155	E	84.3	Confident	86.8	Confident	93 Å²	93	73.6 Å²	73.6	44%	0.435	35%	0.353	S	S	.	.	I	π-helix	trans	-110.4	-31.4	-164.8	-59.9	161.3	-158.4	0	0	112.4	R150 H151 P157	R150-E155 IonicContact CZ-OE1 2.59Å; R150-E155 IonicContact NE-OE1 3.28Å; R150-E155 PolarHBondContact NE-OE1 3.33Å; R150-E155 IonicContact NH2-OE1 2.69Å; R150-E155 PolarHBondContact NH2-OE1 3.26Å; R150-E155 IonicContact NH2-OE2 3.99Å; H151-E155 IonicContact ND1-OE2 2.88Å; H151-E155 PolarHBondContact O-N 3.5Å; E155-P157 VanDerWaalsContact O-CD 3.32Å; E155-P157 WeakPolarHBondContact O-CD 3.4Å
156	C	85.7	Confident	86.8	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.02	35%	0.345	C	S	.	.			trans	-60.9	119.2	-173.9	-166.1	0	0	0	0	112.1	H151 E158 R159	H151-C156 VanDerWaalsContact NE2-CB 3.3Å; H151-C156 WeakPolarHBondContact NE2-CB 3.43Å; H151-C156 PolarHBondContact NE2-SG 3.48Å; H151-C156 VanDerWaalsContact NE2-SG 3.4Å; H151-C156 WeakPolarHBondContact O-CB 3.42Å; H151-C156 PolarHBondContact O-N 3.49Å; C156-E158 PolarHBondContact O-N 3.11Å; C156-R159 HydrophobicContact CB-CB 4.23Å; C156-R159 WeakPolarHBondContact O-CB 3.34Å; C156-R159 WeakPolarHBondContact O-CG 3.1Å; C156-R159 PolarHBondContact O-N 3.29Å; C156-R159 VanDerWaalsContact O-N 3.1Å
157	P	81.6	Confident	86.7	Confident	75 Å²	75	75.7 Å²	75.7	49%	0.487	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	177.8	-24.4	34.9	0	0	0	113.4	E155	E155-P157 VanDerWaalsContact O-CD 3.32Å; E155-P157 WeakPolarHBondContact O-CD 3.4Å
158	E	83	Confident	86.5	Confident	56 Å²	56	78.5 Å²	78.5	26%	0.262	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.7	180	-63.2	-63.4	154	0	0	112.7	C156 L171 K173	C156-E158 PolarHBondContact O-N 3.11Å; E158-L171 WeakPolarHBondContact O-CD2 3.46Å; E158-K173 IonicContact OE1-NZ 3.89Å; E158-K173 PolarHBondContact OE1-NZ 3.4Å; E158-K173 WeakPolarHBondContact OE2-CE 3.45Å; E158-K173 IonicContact OE2-NZ 3.46Å; E158-K173 PolarHBondContact OE2-NZ 2.91Å
159	R	85.4	Confident	86.4	Confident	72 Å²	72	80.6 Å²	80.6	27%	0.272	38%	0.384	S	S	.	.			trans	-62.3	152.6	173.9	72.4	179.5	174.3	-161.3	-16.3	112	N152 E153 R154 C156 L172	N152-R159 WeakPolarHBondContact O-CB 3.47Å; E153-R159 WeakPolarHBondContact O-CD 3.37Å; E153-R159 PolarHBondContact O-NH1 3.22Å; R154-R159 VanDerWaalsContact C-NH1 3.33Å; R154-R159 VanDerWaalsContact CA-NH1 3.32Å; R154-R159 PolarHBondContact O-NH1 2.86Å; C156-R159 HydrophobicContact CB-CB 4.23Å; C156-R159 WeakPolarHBondContact O-CB 3.34Å; C156-R159 WeakPolarHBondContact O-CG 3.1Å; C156-R159 PolarHBondContact O-N 3.29Å; C156-R159 VanDerWaalsContact O-N 3.1Å; R159-L172 HydrophobicContact CG-CB 4.12Å; R159-L172 HydrophobicContact CG-CD2 4.33Å; R159-L172 PolarHBondContact O-N 2.87Å
160	T	84.3	Confident	86.2	Confident	89 Å²	89	76.7 Å²	76.7	55%	0.546	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.7	172.1	44.8	0	0	0	0	111.6	F170 L171	T160-F170 CarbonylContact C-O 3.58Å; T160-F170 VanDerWaalsContact CA-O 3.27Å; T160-F170 WeakPolarHBondContact CA-O 3.27Å; T160-L171 HydrophobicContact CG2-CD2 4.04Å
161	L	84.3	Confident	86	Confident	69 Å²	69	74.2 Å²	74.2	36%	0.361	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.9	170.5	-67	-177.4	0	0	0	109.4	F170 L172	L161-F170 PolarHBondContact N-O 3.49Å; L161-F170 PolarHBondContact O-N 2.66Å; L161-L172 HydrophobicContact CD1-CD1 3.53Å; L161-L172 HydrophobicContact CG-CD1 4.34Å
162	N	86.6	Confident	85.7	Confident	109 Å²	109	76.8 Å²	76.8	58%	0.583	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	132.6	172.3	-63	72.2	0	0	0	110.6	K164 K167 E168	N162-K164 PolarHBondContact O-N 2.71Å; N162-K167 PolarHBondContact ND2-O 3.07Å; N162-E168 CarbonylContact C-O 3.57Å; N162-E168 WeakPolarHBondContact CA-O 3.2Å
163	C	89.9	Confident	85.5	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.007	38%	0.38	C	S	.	.			trans	-60.5	125.3	173.7	171.7	0	0	0	0	110.8	Y165 C166 K167 E168 F170 I175 H178	C163-Y165 PolarHBondContact O-N 3.36Å; C163-Y165 PolarHBondContact SG-N 3.2Å; C163-Y165 VanDerWaalsContact SG-N 3.39Å; C163-C166 WeakPolarHBondContact CB-SG 3.49Å; C163-C166 PolarHBondContact SG-N 2.81Å; C163-C166 VanDerWaalsContact SG-SG 3.61Å; C163-K167 WeakPolarHBondContact O-CA 3.41Å; C163-K167 PolarHBondContact O-N 2.87Å; C163-E168 PolarHBondContact N-O 3.11Å; C163-F170 HydrophobicContact CB-CD2 4.08Å; C163-F170 HydrophobicContact CB-CE2 4.04Å; C163-I175 HydrophobicContact CB-CD1 4.21Å; C163-H178 PolarHBondContact SG-CD2 3.48Å; C163-H178 PolarHBondContact SG-NE2 3.12Å
164	K	88.4	Confident	85.5	Confident	111 Å²	111	77.5 Å²	77.5	48%	0.483	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-34	175.8	45.8	178.7	160.7	156.2	0	113.3	N162 K167 D179	N162-K164 PolarHBondContact O-N 2.71Å; K164-K167 PolarHBondContact O-NZ 3.18Å; K164-D179 WeakPolarHBondContact CE-OD2 3.48Å; K164-D179 IonicContact NZ-OD1 3.88Å; K164-D179 IonicContact NZ-OD2 2.83Å; K164-D179 PolarHBondContact NZ-OD2 3.42Å
165	Y	90.4	Very high	85.8	Confident	69 Å²	69	70.9 Å²	70.9	27%	0.271	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-53.9	-175.3	-48.8	-61.5	0	0	0	114.2	C163 D179 Y185 P186	C163-Y165 PolarHBondContact O-N 3.36Å; C163-Y165 PolarHBondContact SG-N 3.2Å; C163-Y165 VanDerWaalsContact SG-N 3.39Å; Y165-D179 WeakPolarHBondContact CE2-OD1 3.37Å; Y165-Y185 AromaticContact CD2-CD2 3.67Å; Y165-Y185 HydrophobicContact CD2-CD2 3.67Å; Y165-Y185 HydrophobicContact CD2-CE2 4.26Å; Y165-Y185 HydrophobicContact CD2-CG 4.49Å; Y165-Y185 AromaticContact CE2-CD2 3.29Å; Y165-Y185 HydrophobicContact CE2-CD2 3.29Å; Y165-Y185 AromaticContact CE2-CE2 3.42Å; Y165-Y185 HydrophobicContact CE2-CE2 3.42Å; Y165-Y185 VanDerWaalsContact CE2-CE2 3.42Å; Y165-Y185 HydrophobicContact CE2-CG 4.31Å; Y165-Y185 AromaticContact CZ-CE2 3.95Å; Y165-P186 HydrophobicContact CD1-CG 4.22Å; Y165-P186 HydrophobicContact CE1-CG 3.61Å
166	C	90	Very high	85.8	Confident	13 Å²	13	74.6 Å²	74.6	9%	0.088	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.7	-176.8	69.1	0	0	0	0	115.1	C163 E168 H178 K184	C163-C166 WeakPolarHBondContact CB-SG 3.49Å; C163-C166 PolarHBondContact SG-N 2.81Å; C163-C166 VanDerWaalsContact SG-SG 3.61Å; C166-E168 HydrophobicContact CB-CG 4.48Å; C166-E168 PolarHBondContact O-N 2.94Å; C166-H178 PolarHBondContact SG-NE2 3.4Å; C166-K184 HydrophobicContact CB-CB 4.3Å; C166-K184 HydrophobicContact CB-CD 3.89Å
167	K	90.3	Very high	85.9	Confident	136 Å²	136	77.2 Å²	77.2	59%	0.591	39%	0.388	S	S	*	.			trans	69.8	-5	-175.3	-50.4	-52.1	-171.4	-169.3	0	116.3	N162 C163 K164	N162-K167 PolarHBondContact ND2-O 3.07Å; C163-K167 WeakPolarHBondContact O-CA 3.41Å; C163-K167 PolarHBondContact O-N 2.87Å; K164-K167 PolarHBondContact O-NZ 3.18Å
168	E	86.8	Confident	86.2	Confident	111 Å²	111	74.5 Å²	74.5	52%	0.519	37%	0.369	S	S	.	.			trans	-66.6	145.4	173.5	-58.4	-53.4	141.8	0	0	112.5	N162 C163 C166 F170	N162-E168 CarbonylContact C-O 3.57Å; N162-E168 WeakPolarHBondContact CA-O 3.2Å; C163-E168 PolarHBondContact N-O 3.11Å; C166-E168 HydrophobicContact CB-CG 4.48Å; C166-E168 PolarHBondContact O-N 2.94Å; E168-F170 HydrophobicContact CB-CE2 3.69Å; E168-F170 HydrophobicContact CB-CZ 4Å; E168-F170 WeakPolarHBondContact O-CD2 3.47Å; E168-F170 WeakPolarHBondContact O-CE2 3.34Å
169	P	85.9	Confident	86.5	Confident	73 Å²	73	73.1 Å²	73.1	47%	0.474	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.7	179.1	32.4	-34.2	0	0	0	112.7
170	F	84.9	Confident	86.7	Confident	61 Å²	61	76.5 Å²	76.5	27%	0.268	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.3	174.1	-62.8	-83.6	0	0	0	111.1	T160 L161 C163 E168 I175 H178	T160-F170 CarbonylContact C-O 3.58Å; T160-F170 VanDerWaalsContact CA-O 3.27Å; T160-F170 WeakPolarHBondContact CA-O 3.27Å; L161-F170 PolarHBondContact N-O 3.49Å; L161-F170 PolarHBondContact O-N 2.66Å; C163-F170 HydrophobicContact CB-CD2 4.08Å; C163-F170 HydrophobicContact CB-CE2 4.04Å; E168-F170 HydrophobicContact CB-CE2 3.69Å; E168-F170 HydrophobicContact CB-CZ 4Å; E168-F170 WeakPolarHBondContact O-CD2 3.47Å; E168-F170 WeakPolarHBondContact O-CE2 3.34Å; F170-I175 HydrophobicContact CB-CD1 4Å; F170-I175 HydrophobicContact CD2-CD1 4.12Å; F170-I175 HydrophobicContact CG-CD1 4.45Å; F170-H178 HydrophobicContact CD1-CB 4.46Å; F170-H178 HydrophobicContact CD2-CB 4.43Å; F170-H178 AromaticContact CD2-CD2 3.96Å; F170-H178 AromaticContact CD2-CG 3.88Å; F170-H178 AromaticContact CE1-ND1 3.62Å; F170-H178 AromaticContact CE2-CD2 3.65Å; F170-H178 AromaticContact CE2-CE1 3.35Å; F170-H178 WeakPolarHBondContact CE2-CE1 3.33Å; F170-H178 AromaticContact CE2-CG 3.62Å; F170-H178 AromaticContact CE2-ND1 3.45Å; F170-H178 WeakPolarHBondContact CE2-ND1 3.38Å; F170-H178 AromaticContact CE2-NE2 3.48Å; F170-H178 WeakPolarHBondContact CE2-NE2 3.48Å; F170-H178 HydrophobicContact CG-CB 4.39Å; F170-H178 AromaticContact CZ-CE1 3.26Å; F170-H178 WeakPolarHBondContact CZ-CE1 3.25Å; F170-H178 AromaticContact CZ-CG 3.78Å; F170-H178 AromaticContact CZ-ND1 3.18Å; F170-H178 WeakPolarHBondContact CZ-ND1 3.31Å; F170-H178 AromaticContact CZ-NE2 3.91Å
171	L	83.9	Confident	86.9	Confident	56 Å²	56	78.3 Å²	78.3	29%	0.293	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141.4	170.2	-65.2	169.4	0	0	0	110.6	E158 T160 K173 N174 I175	E158-L171 WeakPolarHBondContact O-CD2 3.46Å; T160-L171 HydrophobicContact CG2-CD2 4.04Å; L171-K173 HydrophobicContact CB-CG 4.12Å; L171-K173 PolarHBondContact O-N 3.27Å; L171-K173 VanDerWaalsContact O-N 3.16Å; L171-N174 HydrophobicContact CB-CB 4.46Å; L171-N174 WeakPolarHBondContact O-CA 3.43Å; L171-N174 PolarHBondContact O-N 3.17Å; L171-I175 PolarHBondContact O-N 2.92Å
172	L	82.9	Confident	87.2	Confident	58 Å²	58	75 Å²	75	30%	0.304	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-47.3	-45.9	179.8	175.6	66.7	0	0	0	112.5	R159 L161 N174 I175	R159-L172 HydrophobicContact CG-CB 4.12Å; R159-L172 HydrophobicContact CG-CD2 4.33Å; R159-L172 PolarHBondContact O-N 2.87Å; L161-L172 HydrophobicContact CD1-CD1 3.53Å; L161-L172 HydrophobicContact CG-CD1 4.34Å; L172-N174 VanDerWaalsContact C-N 3.26Å; L172-N174 PolarHBondContact O-N 2.85Å; L172-I175 VanDerWaalsContact O-CG2 3.31Å; L172-I175 WeakPolarHBondContact O-CG2 3.22Å; L172-I175 PolarHBondContact O-N 3.04Å
173	K	80.4	Confident	87.3	Confident	121 Å²	121	73 Å²	73	53%	0.526	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.3	-28	177.8	59.7	-177.9	179.1	-165	0	114.3	E158 L171	E158-K173 IonicContact OE1-NZ 3.89Å; E158-K173 PolarHBondContact OE1-NZ 3.4Å; E158-K173 WeakPolarHBondContact OE2-CE 3.45Å; E158-K173 IonicContact OE2-NZ 3.46Å; E158-K173 PolarHBondContact OE2-NZ 2.91Å; L171-K173 HydrophobicContact CB-CG 4.12Å; L171-K173 PolarHBondContact O-N 3.27Å; L171-K173 VanDerWaalsContact O-N 3.16Å
174	N	84.8	Confident	87.4	Confident	78 Å²	78	77.9 Å²	77.9	42%	0.417	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-93.8	-12.1	-175.6	-67.8	-8.1	0	0	0	113.4	L171 L172 K176 A177 H178	L171-N174 HydrophobicContact CB-CB 4.46Å; L171-N174 WeakPolarHBondContact O-CA 3.43Å; L171-N174 PolarHBondContact O-N 3.17Å; L172-N174 VanDerWaalsContact C-N 3.26Å; L172-N174 PolarHBondContact O-N 2.85Å; N174-K176 VanDerWaalsContact C-N 3.28Å; N174-K176 PolarHBondContact O-N 3.3Å; N174-A177 PolarHBondContact O-N 2.88Å; N174-H178 PolarHBondContact O-N 3.2Å
175	I	87.5	Confident	87.6	Confident	34 Å²	34	75.8 Å²	75.8	17%	0.174	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-32.9	-171.8	-158	68.4	0	0	0	113.3	C163 F170 L171 L172 H178 D179	C163-I175 HydrophobicContact CB-CD1 4.21Å; F170-I175 HydrophobicContact CB-CD1 4Å; F170-I175 HydrophobicContact CD2-CD1 4.12Å; F170-I175 HydrophobicContact CG-CD1 4.45Å; L171-I175 PolarHBondContact O-N 2.92Å; L172-I175 VanDerWaalsContact O-CG2 3.31Å; L172-I175 WeakPolarHBondContact O-CG2 3.22Å; L172-I175 PolarHBondContact O-N 3.04Å; I175-H178 PolarHBondContact O-N 2.89Å; I175-D179 PolarHBondContact O-N 3.23Å; I175-D179 VanDerWaalsContact O-N 3.16Å
176	K	85.3	Confident	87.7	Confident	172 Å²	172	74.5 Å²	74.5	75%	0.748	37%	0.373	S	S	*	.	H	α-helix	trans	-68.6	-45.9	176.1	-69.7	-174.1	178	-178.9	0	112	N174 H178 D179	N174-K176 VanDerWaalsContact C-N 3.28Å; N174-K176 PolarHBondContact O-N 3.3Å; K176-H178 VanDerWaalsContact C-N 3.26Å; K176-H178 PolarHBondContact O-N 2.75Å; K176-D179 PolarHBondContact O-N 3.15Å
177	A	86.9	Confident	87.7	Confident	58 Å²	58	76 Å²	76	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-33.4	175.5	0	0	0	0	0	111.6	N174 E180	N174-A177 PolarHBondContact O-N 2.88Å; A177-E180 PolarHBondContact O-N 2.86Å
178	H	89.3	Confident	87.7	Confident	17 Å²	17	74.3 Å²	74.3	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-42.2	173.5	176	70.1	0	0	0	112.8	C163 C166 F170 N174 I175 K176 E180 I181 C182	C163-H178 PolarHBondContact SG-CD2 3.48Å; C163-H178 PolarHBondContact SG-NE2 3.12Å; C166-H178 PolarHBondContact SG-NE2 3.4Å; F170-H178 HydrophobicContact CD1-CB 4.46Å; F170-H178 HydrophobicContact CD2-CB 4.43Å; F170-H178 AromaticContact CD2-CD2 3.96Å; F170-H178 AromaticContact CD2-CG 3.88Å; F170-H178 AromaticContact CE1-ND1 3.62Å; F170-H178 AromaticContact CE2-CD2 3.65Å; F170-H178 AromaticContact CE2-CE1 3.35Å; F170-H178 WeakPolarHBondContact CE2-CE1 3.33Å; F170-H178 AromaticContact CE2-CG 3.62Å; F170-H178 AromaticContact CE2-ND1 3.45Å; F170-H178 WeakPolarHBondContact CE2-ND1 3.38Å; F170-H178 AromaticContact CE2-NE2 3.48Å; F170-H178 WeakPolarHBondContact CE2-NE2 3.48Å; F170-H178 HydrophobicContact CG-CB 4.39Å; F170-H178 AromaticContact CZ-CE1 3.26Å; F170-H178 WeakPolarHBondContact CZ-CE1 3.25Å; F170-H178 AromaticContact CZ-CG 3.78Å; F170-H178 AromaticContact CZ-ND1 3.18Å; F170-H178 WeakPolarHBondContact CZ-ND1 3.31Å; F170-H178 AromaticContact CZ-NE2 3.91Å; N174-H178 PolarHBondContact O-N 3.2Å; I175-H178 PolarHBondContact O-N 2.89Å; K176-H178 VanDerWaalsContact C-N 3.26Å; K176-H178 PolarHBondContact O-N 2.75Å; H178-E180 PolarHBondContact O-N 2.85Å; H178-I181 CarbonylContact O-C 3.59Å; H178-I181 WeakPolarHBondContact O-CG1 3.13Å; H178-I181 PolarHBondContact O-N 3.33Å; H178-C182 VanDerWaalsContact NE2-CB 3.33Å; H178-C182 WeakPolarHBondContact NE2-CB 3.35Å; H178-C182 PolarHBondContact NE2-SG 3Å; H178-C182 WeakPolarHBondContact O-CA 3.44Å; H178-C182 VanDerWaalsContact O-CB 3.25Å; H178-C182 WeakPolarHBondContact O-CB 3.26Å; H178-C182 PolarHBondContact O-N 3.02Å
179	D	88.7	Confident	87.8	Confident	27 Å²	27	69 Å²	69	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-33.6	178.7	-94.2	3.9	0	0	0	112	K164 Y165 I175 K176 I181 Y185 R199	K164-D179 WeakPolarHBondContact CE-OD2 3.48Å; K164-D179 IonicContact NZ-OD1 3.88Å; K164-D179 IonicContact NZ-OD2 2.83Å; K164-D179 PolarHBondContact NZ-OD2 3.42Å; Y165-D179 WeakPolarHBondContact CE2-OD1 3.37Å; I175-D179 PolarHBondContact O-N 3.23Å; I175-D179 VanDerWaalsContact O-N 3.16Å; K176-D179 PolarHBondContact O-N 3.15Å; D179-I181 VanDerWaalsContact C-N 3.34Å; D179-I181 PolarHBondContact O-N 2.88Å; D179-Y185 HydrophobicContact CB-CD2 3.96Å; D179-Y185 HydrophobicContact CB-CE2 3.67Å; D179-Y185 WeakPolarHBondContact O-CD2 3.4Å; D179-R199 PolarHBondContact O-NH2 2.99Å
180	E	88.6	Confident	87.8	Confident	144 Å²	144	74 Å²	74	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-27.5	177.1	-63	-177.5	179.9	0	0	114.2	A177 H178 R199	A177-E180 PolarHBondContact O-N 2.86Å; H178-E180 PolarHBondContact O-N 2.85Å; E180-R199 PolarHBondContact O-NH1 3.18Å; E180-R199 PolarHBondContact O-NH2 3.38Å
181	I	88.8	Confident	87.7	Confident	126 Å²	126	72.5 Å²	72.5	65%	0.646	37%	0.369	S	S	*	.	H	α-helix	trans	-112.6	-6.1	-178.3	62.5	171.6	0	0	0	113.8	H178 D179 P183	H178-I181 CarbonylContact O-C 3.59Å; H178-I181 WeakPolarHBondContact O-CG1 3.13Å; H178-I181 PolarHBondContact O-N 3.33Å; D179-I181 VanDerWaalsContact C-N 3.34Å; D179-I181 PolarHBondContact O-N 2.88Å; I181-P183 WeakPolarHBondContact O-CD 3.41Å
182	C	90.7	Very high	87.8	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.37	C	S	.	.			trans	-62	122.5	-171.9	179.2	0	0	0	0	111.7	H178 K184 Y185 R199	H178-C182 VanDerWaalsContact NE2-CB 3.33Å; H178-C182 WeakPolarHBondContact NE2-CB 3.35Å; H178-C182 PolarHBondContact NE2-SG 3Å; H178-C182 WeakPolarHBondContact O-CA 3.44Å; H178-C182 VanDerWaalsContact O-CB 3.25Å; H178-C182 WeakPolarHBondContact O-CB 3.26Å; H178-C182 PolarHBondContact O-N 3.02Å; C182-K184 PolarHBondContact O-N 2.83Å; C182-Y185 WeakPolarHBondContact O-CB 3.45Å; C182-Y185 PolarHBondContact O-N 3.18Å; C182-R199 WeakPolarHBondContact O-CD 3.43Å; C182-R199 PolarHBondContact O-NE 2.93Å
183	P	90	Very high	88	Confident	66 Å²	66	72.5 Å²	72.5	43%	0.429	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.7	-178.8	-25.4	34.5	0	0	0	113.8	I181 R199 E200	I181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-R199 WeakPolarHBondContact O-CB 3.48Å; P183-R199 PolarHBondContact O-N 3.34Å; P183-R199 VanDerWaalsContact O-N 3.09Å; P183-E200 HydrophobicContact CB-CB 4.21Å; P183-E200 PolarHBondContact O-N 2.9Å
184	K	90.8	Very high	88.3	Confident	105 Å²	105	72.8 Å²	72.8	46%	0.457	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.1	179.3	-71.1	166.1	175.6	173.1	0	113.1	C166 C182	C166-K184 HydrophobicContact CB-CB 4.3Å; C166-K184 HydrophobicContact CB-CD 3.89Å; C182-K184 PolarHBondContact O-N 2.83Å
185	Y	92.5	Very high	88.4	Confident	67 Å²	67	76.3 Å²	76.3	26%	0.263	40%	0.395	S	S	.	.			trans	-61.2	135.4	177	-165.3	-92.1	0	0	0	111	Y165 D179 C182 M187 P198 R199	Y165-Y185 AromaticContact CD2-CD2 3.67Å; Y165-Y185 HydrophobicContact CD2-CD2 3.67Å; Y165-Y185 HydrophobicContact CD2-CE2 4.26Å; Y165-Y185 HydrophobicContact CD2-CG 4.49Å; Y165-Y185 AromaticContact CE2-CD2 3.29Å; Y165-Y185 HydrophobicContact CE2-CD2 3.29Å; Y165-Y185 AromaticContact CE2-CE2 3.42Å; Y165-Y185 HydrophobicContact CE2-CE2 3.42Å; Y165-Y185 VanDerWaalsContact CE2-CE2 3.42Å; Y165-Y185 HydrophobicContact CE2-CG 4.31Å; Y165-Y185 AromaticContact CZ-CE2 3.95Å; D179-Y185 HydrophobicContact CB-CD2 3.96Å; D179-Y185 HydrophobicContact CB-CE2 3.67Å; D179-Y185 WeakPolarHBondContact O-CD2 3.4Å; C182-Y185 WeakPolarHBondContact O-CB 3.45Å; C182-Y185 PolarHBondContact O-N 3.18Å; Y185-M187 HydrophobicContact CD1-SD 4.01Å; Y185-M187 PolarHBondContact O-N 3.39Å; Y185-P198 CarbonylContact O-C 3.6Å; Y185-R199 PolarHBondContact O-N 3.03Å
186	P	92.3	Very high	88.5	Confident	41 Å²	41	83.2 Å²	83.2	27%	0.266	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	104.9	-179.7	29.9	-34.2	0	0	0	111.9	Y165	Y165-P186 HydrophobicContact CD1-CG 4.22Å; Y165-P186 HydrophobicContact CE1-CG 3.61Å
187	M	91.3	Very high	88.8	Confident	46 Å²	46	75.6 Å²	75.6	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	162.1	169.1	-55	-59.1	-69.4	0	0	111.5	Y185 K196 I197 R199 Y202	Y185-M187 HydrophobicContact CD1-SD 4.01Å; Y185-M187 PolarHBondContact O-N 3.39Å; M187-K196 PolarHBondContact O-N 3.18Å; M187-I197 WeakPolarHBondContact CB-O 3.45Å; M187-I197 PolarHBondContact N-O 3.43Å; M187-I197 PolarHBondContact O-N 3.4Å; M187-R199 HydrophobicContact CG-CB 3.98Å; M187-R199 HydrophobicContact CG-CG 4.37Å; M187-R199 HydrophobicContact SD-CB 4.45Å; M187-R199 HydrophobicContact SD-CG 4.49Å; M187-Y202 HydrophobicContact CB-CD2 3.68Å; M187-Y202 HydrophobicContact CB-CE2 4.05Å; M187-Y202 HydrophobicContact CB-CG 4.07Å; M187-Y202 HydrophobicContact CG-CD2 4.36Å; M187-Y202 HydrophobicContact CG-CG 4.24Å
188	I	90.3	Very high	88.9	Confident	99 Å²	99	74.8 Å²	74.8	51%	0.508	38%	0.381	S	S	.	.			trans	-120.6	131.3	173.1	-56.8	175.1	0	0	0	107.3	K194 K195 Y202	I188-K194 WeakPolarHBondContact CA-O 3.21Å; I188-K195 HydrophobicContact CD1-CG 4.45Å; I188-K195 HydrophobicContact CG1-CB 4.45Å; I188-K195 HydrophobicContact CG1-CG 4.28Å; I188-K195 HydrophobicContact CG2-CG 4.25Å; I188-Y202 PolarHBondContact O-OH 3.26Å
189	C	88.9	Confident	89.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.392	C	S	.	.			trans	-79.5	124.6	174.3	179.3	0	0	0	0	111.2	G191 C192 A193 K194 I197 Y202 H205	C189-G191 VanDerWaalsContact C-N 3.32Å; C189-G191 PolarHBondContact O-N 2.88Å; C189-G191 PolarHBondContact SG-N 2.76Å; C189-C192 VanDerWaalsContact SG-SG 3.66Å; C189-A193 WeakPolarHBondContact O-CA 3.44Å; C189-A193 PolarHBondContact O-N 3.3Å; C189-K194 PolarHBondContact N-O 3.27Å; C189-I197 HydrophobicContact CB-CD1 3.82Å; C189-Y202 HydrophobicContact CB-CE2 4.16Å; C189-H205 VanDerWaalsContact CB-NE2 3.27Å; C189-H205 WeakPolarHBondContact CB-NE2 3.21Å; C189-H205 PolarHBondContact SG-NE2 3.14Å
190	E	85	Confident	89.2	Confident	179 Å²	179	81.1 Å²	81.1	84%	0.836	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.1	178.6	-63.1	177.8	174.2	0	0	113
191	G	82.8	Confident	89.3	Confident	28 Å²	28	80 Å²	80	29%	0.289	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-50.8	-178.9	0	0	0	0	0	114.3	C189 K211	C189-G191 VanDerWaalsContact C-N 3.32Å; C189-G191 PolarHBondContact O-N 2.88Å; C189-G191 PolarHBondContact SG-N 2.76Å; G191-K211 WeakPolarHBondContact CA-O 3.49Å; G191-K211 WeakPolarHBondContact O-CB 3.39Å
192	C	85.8	Confident	89.3	Confident	46 Å²	46	75.8 Å²	75.8	31%	0.311	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	4.4	-177.1	70.7	0	0	0	0	114.9	C189 K194 H205 C209 K211	C189-C192 VanDerWaalsContact SG-SG 3.66Å; C192-K194 PolarHBondContact O-N 3.48Å; C192-K194 WeakPolarHBondContact SG-CB 3.43Å; C192-H205 PolarHBondContact SG-CE1 3.46Å; C192-H205 PolarHBondContact SG-NE2 3.31Å; C192-C209 VanDerWaalsContact SG-SG 3.7Å; C192-K211 HydrophobicContact CB-CB 4.38Å
193	A	86.4	Confident	89	Confident	68 Å²	68	80.1 Å²	80.1	56%	0.562	40%	0.402	S	S	*	.			trans	55.5	11.5	-175.2	0	0	0	0	0	115.5	C189 K195	C189-A193 WeakPolarHBondContact O-CA 3.44Å; C189-A193 PolarHBondContact O-N 3.3Å; A193-K195 PolarHBondContact O-N 3.33Å
194	K	87.1	Confident	88.9	Confident	128 Å²	128	80.8 Å²	80.8	56%	0.557	40%	0.402	S	S	*	.			trans	-65.7	117.7	179.8	-175.8	174.2	-174.9	174.1	0	109.8	I188 C189 C192 I197	I188-K194 WeakPolarHBondContact CA-O 3.21Å; C189-K194 PolarHBondContact N-O 3.27Å; C192-K194 PolarHBondContact O-N 3.48Å; C192-K194 WeakPolarHBondContact SG-CB 3.43Å; K194-I197 HydrophobicContact CB-CD1 4.13Å; K194-I197 HydrophobicContact CD-CD1 4.37Å; K194-I197 HydrophobicContact CD-CG1 4.49Å; K194-I197 HydrophobicContact CG-CD1 4.14Å; K194-I197 HydrophobicContact CG-CG1 4.15Å; K194-I197 WeakPolarHBondContact O-CD1 3.3Å
195	K	88.5	Confident	88.8	Confident	151 Å²	151	77.6 Å²	77.6	66%	0.657	39%	0.389	S	S	*	.			trans	-88	165.8	-179.6	-56.3	-178.9	-178	178.5	0	111.1	I188 A193 I197	I188-K195 HydrophobicContact CD1-CG 4.45Å; I188-K195 HydrophobicContact CG1-CB 4.45Å; I188-K195 HydrophobicContact CG1-CG 4.28Å; I188-K195 HydrophobicContact CG2-CG 4.25Å; A193-K195 PolarHBondContact O-N 3.33Å; K195-I197 VanDerWaalsContact C-N 3.35Å; K195-I197 PolarHBondContact O-N 3.48Å
196	K	89.5	Confident	88.5	Confident	180 Å²	180	76.7 Å²	76.7	78%	0.783	39%	0.388	S	S	*	.			trans	60.6	36	173.6	-55.5	-178.4	177.6	-179.7	0	114.2	M187 P198	M187-K196 PolarHBondContact O-N 3.18Å; K196-P198 WeakPolarHBondContact O-CD 3.45Å
197	I	89.6	Confident	88	Confident	11 Å²	11	80 Å²	80	6%	0.056	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.6	173.1	-51.3	177.6	0	0	0	107.5	M187 C189 K194 K195 R199 Y202 H205	M187-I197 WeakPolarHBondContact CB-O 3.45Å; M187-I197 PolarHBondContact N-O 3.43Å; M187-I197 PolarHBondContact O-N 3.4Å; C189-I197 HydrophobicContact CB-CD1 3.82Å; K194-I197 HydrophobicContact CB-CD1 4.13Å; K194-I197 HydrophobicContact CD-CD1 4.37Å; K194-I197 HydrophobicContact CD-CG1 4.49Å; K194-I197 HydrophobicContact CG-CD1 4.14Å; K194-I197 HydrophobicContact CG-CG1 4.15Å; K194-I197 WeakPolarHBondContact O-CD1 3.3Å; K195-I197 VanDerWaalsContact C-N 3.35Å; K195-I197 PolarHBondContact O-N 3.48Å; I197-R199 PolarHBondContact O-N 3.45Å; I197-Y202 HydrophobicContact CB-CD2 4.24Å; I197-Y202 HydrophobicContact CD1-CD2 4.23Å; I197-Y202 HydrophobicContact CD1-CE2 4.35Å; I197-Y202 HydrophobicContact CG2-CD2 4.07Å; I197-H205 HydrophobicContact CD1-CB 4.34Å; I197-H205 WeakPolarHBondContact CD1-CD2 3.44Å; I197-H205 HydrophobicContact CG2-CB 4.16Å
198	P	90.8	Very high	87.5	Confident	41 Å²	41	85.9 Å²	85.9	27%	0.266	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	135.5	174.9	-24.7	35.4	0	0	0	110.3	Y185 K196 E200 K201 Y202	Y185-P198 CarbonylContact O-C 3.6Å; K196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-E200 HydrophobicContact CB-CG 4.04Å; P198-E200 PolarHBondContact O-N 3.26Å; P198-K201 HydrophobicContact CB-CG 4.3Å; P198-K201 HydrophobicContact CG-CD 4.43Å; P198-K201 CarbonylContact O-C 3.53Å; P198-K201 WeakPolarHBondContact O-CA 3.46Å; P198-K201 PolarHBondContact O-N 3.02Å; P198-Y202 PolarHBondContact O-N 2.79Å; P198-Y202 VanDerWaalsContact O-N 3.12Å
199	R	92.6	Very high	87.3	Confident	81 Å²	81	81.6 Å²	81.6	31%	0.306	40%	0.401	S	S	.	.	H	α-helix	trans	-48.8	-43.3	-179.6	-175.6	-173.6	-64.2	-92	0.9	112.4	D179 E180 C182 P183 Y185 M187 I197 K201 Y202	D179-R199 PolarHBondContact O-NH2 2.99Å; E180-R199 PolarHBondContact O-NH1 3.18Å; E180-R199 PolarHBondContact O-NH2 3.38Å; C182-R199 WeakPolarHBondContact O-CD 3.43Å; C182-R199 PolarHBondContact O-NE 2.93Å; P183-R199 WeakPolarHBondContact O-CB 3.48Å; P183-R199 PolarHBondContact O-N 3.34Å; P183-R199 VanDerWaalsContact O-N 3.09Å; Y185-R199 PolarHBondContact O-N 3.03Å; M187-R199 HydrophobicContact CG-CB 3.98Å; M187-R199 HydrophobicContact CG-CG 4.37Å; M187-R199 HydrophobicContact SD-CB 4.45Å; M187-R199 HydrophobicContact SD-CG 4.49Å; I197-R199 PolarHBondContact O-N 3.45Å; R199-K201 PolarHBondContact O-N 3.32Å; R199-Y202 VanDerWaalsContact O-CB 3.28Å; R199-Y202 WeakPolarHBondContact O-CB 3.39Å; R199-Y202 PolarHBondContact O-N 3.46Å; R199-Y202 VanDerWaalsContact O-N 3.09Å
200	E	91.1	Very high	86.8	Confident	96 Å²	96	84.2 Å²	84.2	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-56.6	-31.1	175.6	74.6	-163.8	-174.7	0	0	113.5	P183 P198	P183-E200 HydrophobicContact CB-CB 4.21Å; P183-E200 PolarHBondContact O-N 2.9Å; P198-E200 HydrophobicContact CB-CG 4.04Å; P198-E200 PolarHBondContact O-N 3.26Å
201	K	89.9	Confident	86.5	Confident	121 Å²	121	81.1 Å²	81.1	53%	0.526	40%	0.404	S	S	.	.	H	α-helix	trans	-99.3	-0.7	-179.7	-52.4	-167.5	-179.1	-176.3	0	113.1	P198 R199 H205	P198-K201 HydrophobicContact CB-CG 4.3Å; P198-K201 HydrophobicContact CG-CD 4.43Å; P198-K201 CarbonylContact O-C 3.53Å; P198-K201 WeakPolarHBondContact O-CA 3.46Å; P198-K201 PolarHBondContact O-N 3.02Å; R199-K201 PolarHBondContact O-N 3.32Å; K201-H205 WeakPolarHBondContact O-CB 3.45Å; K201-H205 PolarHBondContact O-N 3.21Å
202	Y	89.4	Confident	86.5	Confident	37 Å²	37	81.9 Å²	81.9	15%	0.145	40%	0.399	C	S	.	.	H	α-helix	trans	-69.2	-39.3	-174.5	-170.2	-114.5	0	0	0	112.1	M187 I188 C189 I197 P198 R199 H205 I206	M187-Y202 HydrophobicContact CB-CD2 3.68Å; M187-Y202 HydrophobicContact CB-CE2 4.05Å; M187-Y202 HydrophobicContact CB-CG 4.07Å; M187-Y202 HydrophobicContact CG-CD2 4.36Å; M187-Y202 HydrophobicContact CG-CG 4.24Å; I188-Y202 PolarHBondContact O-OH 3.26Å; C189-Y202 HydrophobicContact CB-CE2 4.16Å; I197-Y202 HydrophobicContact CB-CD2 4.24Å; I197-Y202 HydrophobicContact CD1-CD2 4.23Å; I197-Y202 HydrophobicContact CD1-CE2 4.35Å; I197-Y202 HydrophobicContact CG2-CD2 4.07Å; P198-Y202 PolarHBondContact O-N 2.79Å; P198-Y202 VanDerWaalsContact O-N 3.12Å; R199-Y202 VanDerWaalsContact O-CB 3.28Å; R199-Y202 WeakPolarHBondContact O-CB 3.39Å; R199-Y202 PolarHBondContact O-N 3.46Å; R199-Y202 VanDerWaalsContact O-N 3.09Å; Y202-H205 WeakPolarHBondContact O-CB 3.34Å; Y202-H205 PolarHBondContact O-N 3.38Å; Y202-I206 HydrophobicContact CD1-CD1 3.87Å; Y202-I206 HydrophobicContact CE1-CD1 3.53Å; Y202-I206 HydrophobicContact CE1-CG1 4.32Å; Y202-I206 WeakPolarHBondContact O-CG1 3.31Å; Y202-I206 PolarHBondContact O-N 3.44Å
203	V	85.4	Confident	86.4	Confident	91 Å²	91	86 Å²	86	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-46.3	176.4	177.9	0	0	0	0	111.2	H205 I206 K207	V203-H205 VanDerWaalsContact C-N 3.35Å; V203-I206 PolarHBondContact O-N 2.91Å; V203-K207 WeakPolarHBondContact O-CG 3.18Å; V203-K207 PolarHBondContact O-N 3.12Å; V203-K207 VanDerWaalsContact O-N 3.17Å
204	D	87.3	Confident	86.2	Confident	81 Å²	81	84.6 Å²	84.6	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-68	-35.4	177.1	-69.2	-32	0	0	0	112.2	I206 K207 F208	D204-I206 PolarHBondContact O-N 3.25Å; D204-K207 PolarHBondContact O-N 3.33Å; D204-K207 WeakPolarHBondContact OD1-CE 3.46Å; D204-K207 IonicContact OD1-NZ 2.74Å; D204-K207 PolarHBondContact OD1-NZ 2.81Å; D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 PolarHBondContact O-N 3.18Å
205	H	88.2	Confident	86.1	Confident	37 Å²	37	81.9 Å²	81.9	17%	0.171	39%	0.392	C	S	.	.	H	α-helix	trans	-59	-45.7	171	172.7	62.7	0	0	0	112.2	C189 C192 I197 K201 Y202 V203 K207 F208 C209	C189-H205 VanDerWaalsContact CB-NE2 3.27Å; C189-H205 WeakPolarHBondContact CB-NE2 3.21Å; C189-H205 PolarHBondContact SG-NE2 3.14Å; C192-H205 PolarHBondContact SG-CE1 3.46Å; C192-H205 PolarHBondContact SG-NE2 3.31Å; I197-H205 HydrophobicContact CD1-CB 4.34Å; I197-H205 WeakPolarHBondContact CD1-CD2 3.44Å; I197-H205 HydrophobicContact CG2-CB 4.16Å; K201-H205 WeakPolarHBondContact O-CB 3.45Å; K201-H205 PolarHBondContact O-N 3.21Å; Y202-H205 WeakPolarHBondContact O-CB 3.34Å; Y202-H205 PolarHBondContact O-N 3.38Å; V203-H205 VanDerWaalsContact C-N 3.35Å; H205-K207 VanDerWaalsContact C-N 3.32Å; H205-K207 PolarHBondContact O-N 3.04Å; H205-F208 PolarHBondContact O-N 3.19Å; H205-C209 VanDerWaalsContact O-CB 3.28Å; H205-C209 WeakPolarHBondContact O-CB 3.5Å; H205-C209 PolarHBondContact O-N 2.96Å
206	I	85.7	Confident	86.1	Confident	48 Å²	48	74.9 Å²	74.9	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-58.3	-44	177.8	-71.3	170.3	0	0	0	111	Y202 V203 D204 F208 C209 F212	Y202-I206 HydrophobicContact CD1-CD1 3.87Å; Y202-I206 HydrophobicContact CE1-CD1 3.53Å; Y202-I206 HydrophobicContact CE1-CG1 4.32Å; Y202-I206 WeakPolarHBondContact O-CG1 3.31Å; Y202-I206 PolarHBondContact O-N 3.44Å; V203-I206 PolarHBondContact O-N 2.91Å; D204-I206 PolarHBondContact O-N 3.25Å; I206-F208 PolarHBondContact O-N 3.34Å; I206-F208 VanDerWaalsContact O-N 3.11Å; I206-C209 PolarHBondContact O-N 3.44Å; I206-F212 HydrophobicContact CD1-CE2 3.93Å; I206-F212 HydrophobicContact CD1-CZ 3.96Å; I206-F212 HydrophobicContact CG1-CD2 4.01Å; I206-F212 HydrophobicContact CG1-CE2 3.81Å; I206-F212 HydrophobicContact CG1-CZ 4.16Å; I206-F212 HydrophobicContact CG2-CD1 3.65Å; I206-F212 HydrophobicContact CG2-CD2 4.24Å; I206-F212 HydrophobicContact CG2-CE1 3.68Å; I206-F212 HydrophobicContact CG2-CE2 4.27Å; I206-F212 HydrophobicContact CG2-CG 3.94Å; I206-F212 HydrophobicContact CG2-CZ 3.99Å
207	K	82.4	Confident	85.9	Confident	111 Å²	111	73.2 Å²	73.2	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-53.1	-35.9	179.1	-68.5	173.1	-169.9	161.4	0	113	V203 D204 H205 K229	V203-K207 WeakPolarHBondContact O-CG 3.18Å; V203-K207 PolarHBondContact O-N 3.12Å; V203-K207 VanDerWaalsContact O-N 3.17Å; D204-K207 PolarHBondContact O-N 3.33Å; D204-K207 WeakPolarHBondContact OD1-CE 3.46Å; D204-K207 IonicContact OD1-NZ 2.74Å; D204-K207 PolarHBondContact OD1-NZ 2.81Å; H205-K207 VanDerWaalsContact C-N 3.32Å; H205-K207 PolarHBondContact O-N 3.04Å; K207-K229 PolarHBondContact O-NZ 3.19Å
208	F	82	Confident	85.8	Confident	170 Å²	170	75 Å²	75	75%	0.746	36%	0.358	S	S	*	.	H	α-helix	trans	-107	2	-176.4	-58.1	-69.6	0	0	0	114.6	D204 H205 I206 S210	D204-F208 WeakPolarHBondContact O-CD2 3.47Å; D204-F208 PolarHBondContact O-N 3.18Å; H205-F208 PolarHBondContact O-N 3.19Å; I206-F208 PolarHBondContact O-N 3.34Å; I206-F208 VanDerWaalsContact O-N 3.11Å; F208-S210 PolarHBondContact O-N 3.2Å
209	C	84.3	Confident	85.7	Confident	8 Å²	8	77.6 Å²	77.6	5%	0.054	37%	0.366	C	S	.	.			trans	-83.1	106.5	-179.4	-179.2	0	0	0	0	111.1	C192 H205 I206 K211 F212	C192-C209 VanDerWaalsContact SG-SG 3.7Å; H205-C209 VanDerWaalsContact O-CB 3.28Å; H205-C209 WeakPolarHBondContact O-CB 3.5Å; H205-C209 PolarHBondContact O-N 2.96Å; I206-C209 PolarHBondContact O-N 3.44Å; C209-K211 VanDerWaalsContact C-N 3.29Å; C209-K211 PolarHBondContact O-N 2.82Å; C209-F212 HydrophobicContact CB-CB 3.93Å; C209-F212 WeakPolarHBondContact O-CB 3.46Å; C209-F212 PolarHBondContact O-N 2.87Å; C209-F212 VanDerWaalsContact O-N 3.09Å
210	S	78.3	Confident	85.3	Confident	56 Å²	56	79.7 Å²	79.7	39%	0.392	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.8	-177.6	76.4	0	0	0	0	113.7	F208 F212 K229 E230	F208-S210 PolarHBondContact O-N 3.2Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.42Å; S210-K229 PolarHBondContact O-N 3.47Å; S210-K229 VanDerWaalsContact O-N 3.13Å; S210-E230 WeakPolarHBondContact CB-OE2 3.38Å; S210-E230 PolarHBondContact O-N 3.29Å; S210-E230 PolarHBondContact OG-OE2 3.49Å
211	K	79.8	Confident	85	Confident	114 Å²	114	76.2 Å²	76.2	50%	0.496	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1.2	177.7	-57.1	-168	175.8	-168.8	0	114.4	G191 C192 C209	G191-K211 WeakPolarHBondContact CA-O 3.49Å; G191-K211 WeakPolarHBondContact O-CB 3.39Å; C192-K211 HydrophobicContact CB-CB 4.38Å; C209-K211 VanDerWaalsContact C-N 3.29Å; C209-K211 PolarHBondContact O-N 2.82Å
212	F	82.3	Confident	84.8	Confident	44 Å²	44	72.4 Å²	72.4	19%	0.193	37%	0.368	C	S	.	.	S	Bend	trans	-76.5	134.4	173.9	-163.7	-92.3	0	0	0	109.1	I206 C209 S210 T214 K229	I206-F212 HydrophobicContact CD1-CE2 3.93Å; I206-F212 HydrophobicContact CD1-CZ 3.96Å; I206-F212 HydrophobicContact CG1-CD2 4.01Å; I206-F212 HydrophobicContact CG1-CE2 3.81Å; I206-F212 HydrophobicContact CG1-CZ 4.16Å; I206-F212 HydrophobicContact CG2-CD1 3.65Å; I206-F212 HydrophobicContact CG2-CD2 4.24Å; I206-F212 HydrophobicContact CG2-CE1 3.68Å; I206-F212 HydrophobicContact CG2-CE2 4.27Å; I206-F212 HydrophobicContact CG2-CG 3.94Å; I206-F212 HydrophobicContact CG2-CZ 3.99Å; C209-F212 HydrophobicContact CB-CB 3.93Å; C209-F212 WeakPolarHBondContact O-CB 3.46Å; C209-F212 PolarHBondContact O-N 2.87Å; C209-F212 VanDerWaalsContact O-N 3.09Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.42Å; F212-T214 HydrophobicContact CD1-CG2 4.28Å; F212-K229 PolarHBondContact O-N 3.31Å; F212-K229 VanDerWaalsContact O-N 3.11Å
213	K	83.6	Confident	84.8	Confident	131 Å²	131	71.1 Å²	71.1	57%	0.57	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.8	177.9	-68.5	-177.4	179.9	-179.2	0	109.6	V227 E228	K213-V227 CarbonylContact C-O 3.58Å; K213-V227 WeakPolarHBondContact CA-O 3.48Å; K213-E228 HydrophobicContact CG-CG 4.05Å
214	T	82.7	Confident	84.8	Confident	39 Å²	39	73.2 Å²	73.2	24%	0.239	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.3	176.1	48.2	0	0	0	0	109.8	F212 S226 V227	F212-T214 HydrophobicContact CD1-CG2 4.28Å; T214-S226 WeakPolarHBondContact O-CA 3.36Å; T214-V227 PolarHBondContact N-O 3.34Å; T214-V227 PolarHBondContact O-N 3.13Å; T214-V227 VanDerWaalsContact O-O 3.12Å; T214-V227 PolarHBondContact OG1-O 2.95Å
215	P	85.1	Confident	84.7	Confident	72 Å²	72	72.3 Å²	72.3	47%	0.468	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	147.4	174.1	27.3	-34.4	0	0	0	110.7	H219	P215-H219 HydrophobicContact CB-CB 4.28Å
216	C	87.9	Confident	84.6	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.02	38%	0.384	C	S	.	.			trans	-58	147.1	173.9	-177.8	0	0	0	0	111.6	F218 H219 C223 T225 H235 H243	C216-F218 PolarHBondContact O-N 2.84Å; C216-F218 VanDerWaalsContact O-N 3.12Å; C216-H219 WeakPolarHBondContact O-CB 3.48Å; C216-H219 PolarHBondContact O-N 2.9Å; C216-C223 HydrophobicContact CB-CB 4.29Å; C216-T225 WeakPolarHBondContact CB-O 3.24Å; C216-T225 PolarHBondContact N-O 3.33Å; C216-H235 PolarHBondContact SG-NE2 3.08Å; C216-H235 VanDerWaalsContact SG-NE2 3.39Å; C216-H243 PolarHBondContact SG-NE2 3.23Å; C216-H243 VanDerWaalsContact SG-NE2 3.43Å
217	R	85.8	Confident	84.5	Confident	146 Å²	146	72.7 Å²	72.7	55%	0.551	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.3	176.8	73.4	180	68.3	171	4.9	113.5	H219 E236	R217-H219 VanDerWaalsContact C-N 3.25Å; R217-H219 PolarHBondContact O-N 3.42Å; R217-E236 IonicContact CZ-OE1 3.54Å; R217-E236 IonicContact CZ-OE2 2.8Å; R217-E236 VanDerWaalsContact CZ-OE2 3.24Å; R217-E236 VanDerWaalsContact NE-CD 3.33Å; R217-E236 IonicContact NE-OE1 2.77Å; R217-E236 PolarHBondContact NE-OE1 3.35Å; R217-E236 IonicContact NE-OE2 3.45Å; R217-E236 IonicContact NH1-OE2 2.59Å; R217-E236 IonicContact NH2-OE1 2.66Å; R217-E236 PolarHBondContact NH2-OE1 3.46Å; R217-E236 IonicContact NH2-OE2 3.7Å; R217-E236 PolarHBondContact NH2-OE2 3.16Å
218	F	87.6	Confident	84.5	Confident	49 Å²	49	69.9 Å²	69.9	22%	0.215	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-84.6	8.6	176.9	-61.9	-73.6	0	0	0	113.4	C216 V220 V221 G222 C223 H243 L247	C216-F218 PolarHBondContact O-N 2.84Å; C216-F218 VanDerWaalsContact O-N 3.12Å; F218-V220 PolarHBondContact O-N 2.67Å; F218-V221 HydrophobicContact CB-CG2 3.94Å; F218-V221 HydrophobicContact CD1-CG2 4.06Å; F218-V221 CarbonylContact O-C 3.58Å; F218-V221 VanDerWaalsContact O-CG2 3.25Å; F218-V221 WeakPolarHBondContact O-CG2 3.3Å; F218-V221 PolarHBondContact O-N 2.79Å; F218-G222 PolarHBondContact O-N 3.13Å; F218-C223 HydrophobicContact CB-CB 3.9Å; F218-C223 WeakPolarHBondContact O-CB 3.26Å; F218-C223 PolarHBondContact O-N 2.89Å; F218-H243 VanDerWaalsContact CB-CD2 3.46Å; F218-H243 WeakPolarHBondContact CB-CD2 3.41Å; F218-H243 HydrophobicContact CD1-CB 4.27Å; F218-H243 HydrophobicContact CD2-CB 3.77Å; F218-H243 AromaticContact CD2-CD2 3.47Å; F218-H243 VanDerWaalsContact CD2-CD2 3.47Å; F218-H243 WeakPolarHBondContact CD2-CD2 3.42Å; F218-H243 AromaticContact CD2-CE1 3.75Å; F218-H243 AromaticContact CD2-CG 3.31Å; F218-H243 AromaticContact CD2-ND1 3.49Å; F218-H243 WeakPolarHBondContact CD2-ND1 3.49Å; F218-H243 AromaticContact CD2-NE2 3.74Å; F218-H243 HydrophobicContact CE1-CB 4.44Å; F218-H243 HydrophobicContact CE2-CB 3.94Å; F218-H243 AromaticContact CE2-CG 3.81Å; F218-H243 AromaticContact CE2-ND1 3.8Å; F218-H243 HydrophobicContact CG-CB 3.95Å; F218-H243 AromaticContact CG-CD2 3.61Å; F218-H243 AromaticContact CG-CG 3.73Å; F218-H243 HydrophobicContact CZ-CB 4.27Å; F218-L247 HydrophobicContact CD1-CG 4.38Å; F218-L247 HydrophobicContact CE1-CD1 3.89Å; F218-L247 HydrophobicContact CE1-CD2 4.49Å; F218-L247 HydrophobicContact CE1-CG 4.24Å
219	H	89.3	Confident	84.3	Confident	94 Å²	94	66.7 Å²	66.7	44%	0.435	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.1	-38.4	175.6	-180	60.8	0	0	0	112.7	P215 C216 R217 V221 G222 C223	P215-H219 HydrophobicContact CB-CB 4.28Å; C216-H219 WeakPolarHBondContact O-CB 3.48Å; C216-H219 PolarHBondContact O-N 2.9Å; R217-H219 VanDerWaalsContact C-N 3.25Å; R217-H219 PolarHBondContact O-N 3.42Å; H219-V221 PolarHBondContact O-N 2.93Å; H219-V221 VanDerWaalsContact O-N 3.12Å; H219-G222 PolarHBondContact O-N 3.19Å; H219-C223 WeakPolarHBondContact CA-O 3.43Å; H219-C223 WeakPolarHBondContact CB-O 3.5Å; H219-C223 PolarHBondContact ND1-O 3.38Å
220	V	84.3	Confident	84	Confident	126 Å²	126	71 Å²	71	76%	0.764	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-62.8	-15.8	176.1	-63.3	0	0	0	0	114.5	F218	F218-V220 PolarHBondContact O-N 2.67Å
221	V	85	Confident	84.1	Confident	23 Å²	23	73 Å²	73	14%	0.139	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-115.7	14.8	174	-63.1	0	0	0	0	112.9	F218 H219 L246 L247 F250	F218-V221 HydrophobicContact CB-CG2 3.94Å; F218-V221 HydrophobicContact CD1-CG2 4.06Å; F218-V221 CarbonylContact O-C 3.58Å; F218-V221 VanDerWaalsContact O-CG2 3.25Å; F218-V221 WeakPolarHBondContact O-CG2 3.3Å; F218-V221 PolarHBondContact O-N 2.79Å; H219-V221 PolarHBondContact O-N 2.93Å; H219-V221 VanDerWaalsContact O-N 3.12Å; V221-L246 HydrophobicContact CG2-CB 4.19Å; V221-L247 HydrophobicContact CG1-CD2 4.38Å; V221-L247 HydrophobicContact CG2-CD2 4.34Å; V221-F250 HydrophobicContact CG1-CB 4.2Å; V221-F250 HydrophobicContact CG1-CD1 4.01Å; V221-F250 HydrophobicContact CG1-CD2 4.07Å; V221-F250 HydrophobicContact CG1-CE1 4.39Å; V221-F250 HydrophobicContact CG1-CE2 4.45Å; V221-F250 HydrophobicContact CG1-CG 3.84Å
222	G	84.3	Confident	84.3	Confident	40 Å²	40	68.7 Å²	68.7	41%	0.412	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.5	4	169.6	0	0	0	0	0	117.1	F218 H219 N224	F218-G222 PolarHBondContact O-N 3.13Å; H219-G222 PolarHBondContact O-N 3.19Å; G222-N224 PolarHBondContact O-N 2.91Å
223	C	90.1	Very high	84.3	Confident	11 Å²	11	72.6 Å²	72.6	7%	0.074	38%	0.376	C	S	.	.			trans	-78.2	111.3	175.3	-173.1	0	0	0	0	111.9	C216 F218 H219 T225 H243 L246	C216-C223 HydrophobicContact CB-CB 4.29Å; F218-C223 HydrophobicContact CB-CB 3.9Å; F218-C223 WeakPolarHBondContact O-CB 3.26Å; F218-C223 PolarHBondContact O-N 2.89Å; H219-C223 WeakPolarHBondContact CA-O 3.43Å; H219-C223 WeakPolarHBondContact CB-O 3.5Å; H219-C223 PolarHBondContact ND1-O 3.38Å; C223-T225 VanDerWaalsContact C-N 3.33Å; C223-T225 PolarHBondContact O-N 3.33Å; C223-H243 PolarHBondContact SG-NE2 2.9Å; C223-L246 HydrophobicContact CB-CD1 4.19Å
224	N	84.6	Confident	84.5	Confident	135 Å²	135	70.6 Å²	70.6	72%	0.722	37%	0.372	S	S	*	.			trans	-86.5	1.4	-177.7	-67.7	-31.7	0	0	0	114.4	G222 S226	G222-N224 PolarHBondContact O-N 2.91Å; N224-S226 PolarHBondContact O-N 2.94Å
225	T	85	Confident	84.7	Confident	62 Å²	62	69.5 Å²	69.5	38%	0.38	36%	0.364	S	S	.	.			trans	-78.2	123.3	-175.4	-53.3	0	0	0	0	111.6	C216 C223 V227	C216-T225 WeakPolarHBondContact CB-O 3.24Å; C216-T225 PolarHBondContact N-O 3.33Å; C223-T225 VanDerWaalsContact C-N 3.33Å; C223-T225 PolarHBondContact O-N 3.33Å; T225-V227 HydrophobicContact CG2-CG1 3.8Å
226	S	86.1	Confident	84.7	Confident	66 Å²	66	67.2 Å²	67.2	46%	0.462	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.7	168.9	-67.2	0	0	0	0	110.4	T214 N224	T214-S226 WeakPolarHBondContact O-CA 3.36Å; N224-S226 PolarHBondContact O-N 2.94Å
227	V	84.1	Confident	84.7	Confident	27 Å²	27	76.8 Å²	76.8	16%	0.164	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.8	-172.1	-84	0	0	0	0	110.7	K213 T214 T225 K229 I232 H235	K213-V227 CarbonylContact C-O 3.58Å; K213-V227 WeakPolarHBondContact CA-O 3.48Å; T214-V227 PolarHBondContact N-O 3.34Å; T214-V227 PolarHBondContact O-N 3.13Å; T214-V227 VanDerWaalsContact O-O 3.12Å; T214-V227 PolarHBondContact OG1-O 2.95Å; T225-V227 HydrophobicContact CG2-CG1 3.8Å; V227-K229 PolarHBondContact O-N 2.88Å; V227-I232 HydrophobicContact CG2-CB 4.06Å; V227-I232 HydrophobicContact CG2-CD1 4.16Å; V227-I232 HydrophobicContact CG2-CG1 3.76Å; V227-H235 HydrophobicContact CG1-CB 4.09Å; V227-H235 HydrophobicContact CG2-CB 4.24Å
228	E	82.6	Confident	84.9	Confident	52 Å²	52	77.2 Å²	77.2	24%	0.243	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	138.5	172.6	-68.9	163.2	178.3	0	0	109.5	K213 E230 K231 I232	K213-E228 HydrophobicContact CG-CG 4.05Å; E228-E230 HydrophobicContact CB-CG 4.27Å; E228-E230 PolarHBondContact O-N 2.85Å; E228-K231 PolarHBondContact O-N 3.21Å; E228-K231 WeakPolarHBondContact OE2-CD 3.23Å; E228-K231 WeakPolarHBondContact OE2-CE 3.22Å; E228-K231 IonicContact OE2-NZ 3.49Å; E228-K231 PolarHBondContact OE2-NZ 2.86Å; E228-I232 PolarHBondContact O-N 3.3Å
229	K	77.1	Confident	84.9	Confident	102 Å²	102	76.5 Å²	76.5	44%	0.443	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.4	-172.5	-163.5	-176.4	-175.6	-167.2	0	113.3	K207 S210 F212 V227 I232	K207-K229 PolarHBondContact O-NZ 3.19Å; S210-K229 PolarHBondContact O-N 3.47Å; S210-K229 VanDerWaalsContact O-N 3.13Å; F212-K229 PolarHBondContact O-N 3.31Å; F212-K229 VanDerWaalsContact O-N 3.11Å; V227-K229 PolarHBondContact O-N 2.88Å; K229-I232 WeakPolarHBondContact O-CG2 3.31Å
230	E	77.9	Confident	84.8	Confident	99 Å²	99	74.8 Å²	74.8	46%	0.463	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.9	175.1	60.4	-165.1	-146.1	0	0	114.5	S210 E228	S210-E230 WeakPolarHBondContact CB-OE2 3.38Å; S210-E230 PolarHBondContact O-N 3.29Å; S210-E230 PolarHBondContact OG-OE2 3.49Å; E228-E230 HydrophobicContact CB-CG 4.27Å; E228-E230 PolarHBondContact O-N 2.85Å
231	K	81.8	Confident	85	Confident	98 Å²	98	76.4 Å²	76.4	43%	0.426	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.3	-177.7	-69.1	169.9	-173	157.1	0	113.9	E228 H233 D234 H235	E228-K231 PolarHBondContact O-N 3.21Å; E228-K231 WeakPolarHBondContact OE2-CD 3.23Å; E228-K231 WeakPolarHBondContact OE2-CE 3.22Å; E228-K231 IonicContact OE2-NZ 3.49Å; E228-K231 PolarHBondContact OE2-NZ 2.86Å; K231-H233 VanDerWaalsContact C-N 3.32Å; K231-H233 PolarHBondContact O-N 2.8Å; K231-D234 PolarHBondContact O-N 2.93Å; K231-H235 PolarHBondContact O-N 2.83Å; K231-H235 VanDerWaalsContact O-N 3.08Å
232	I	83.2	Confident	85.1	Confident	24 Å²	24	80 Å²	80	12%	0.123	40%	0.399	C	S	.	.	H	α-helix	trans	-65.6	-35.4	-173.2	-159.2	155.1	0	0	0	112.5	V227 E228 K229 H235 E236	V227-I232 HydrophobicContact CG2-CB 4.06Å; V227-I232 HydrophobicContact CG2-CD1 4.16Å; V227-I232 HydrophobicContact CG2-CG1 3.76Å; E228-I232 PolarHBondContact O-N 3.3Å; K229-I232 WeakPolarHBondContact O-CG2 3.31Å; I232-H235 PolarHBondContact O-N 3.06Å; I232-E236 WeakPolarHBondContact O-CB 3.48Å; I232-E236 WeakPolarHBondContact O-CG 3.41Å; I232-E236 PolarHBondContact O-N 3.23Å
233	H	83.3	Confident	85.5	Confident	125 Å²	125	78.4 Å²	78.4	58%	0.579	38%	0.38	S	S	*	.	H	α-helix	trans	-69.2	-34.4	174.8	-72.6	-47.4	0	0	0	113.3	K231 E236 R237	K231-H233 VanDerWaalsContact C-N 3.32Å; K231-H233 PolarHBondContact O-N 2.8Å; H233-E236 IonicContact CE1-OE2 3.56Å; H233-E236 IonicContact ND1-OE2 2.73Å; H233-E236 PolarHBondContact ND1-OE2 3.35Å; H233-E236 PolarHBondContact O-N 3.26Å; H233-R237 WeakPolarHBondContact O-CB 3.23Å; H233-R237 PolarHBondContact O-N 3.43Å
234	D	86.6	Confident	85.4	Confident	90 Å²	90	83.1 Å²	83.1	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-67.7	-44.4	175.6	-64.7	-34.8	0	0	0	110.6	K231 R237 Q238	K231-D234 PolarHBondContact O-N 2.93Å; D234-R237 PolarHBondContact O-N 2.82Å; D234-Q238 WeakPolarHBondContact O-CB 3.33Å; D234-Q238 VanDerWaalsContact O-CG 3.25Å; D234-Q238 WeakPolarHBondContact O-CG 3.45Å; D234-Q238 PolarHBondContact O-N 3.21Å
235	H	88.4	Confident	85.5	Confident	15 Å²	15	79.9 Å²	79.9	7%	0.069	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-46.4	173.1	166.6	51.9	0	0	0	112.3	C216 V227 K231 I232 R237 Q238 C239 H243	C216-H235 PolarHBondContact SG-NE2 3.08Å; C216-H235 VanDerWaalsContact SG-NE2 3.39Å; V227-H235 HydrophobicContact CG1-CB 4.09Å; V227-H235 HydrophobicContact CG2-CB 4.24Å; K231-H235 PolarHBondContact O-N 2.83Å; K231-H235 VanDerWaalsContact O-N 3.08Å; I232-H235 PolarHBondContact O-N 3.06Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 2.61Å; H235-Q238 PolarHBondContact O-N 2.88Å; H235-C239 VanDerWaalsContact CE1-SG 3.55Å; H235-C239 PolarHBondContact ND1-SG 3.45Å; H235-C239 VanDerWaalsContact ND1-SG 3.4Å; H235-C239 WeakPolarHBondContact O-CB 3.33Å; H235-C239 PolarHBondContact O-N 2.97Å; H235-H243 AromaticContact CE1-CE1 3.8Å; H235-H243 AromaticContact CE1-NE2 3.91Å; H235-H243 AromaticContact NE2-CE1 3.57Å; H235-H243 AromaticContact NE2-NE2 3.61Å
236	E	84.8	Confident	85.7	Confident	24 Å²	24	79.5 Å²	79.5	11%	0.112	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-36.2	177.7	-75	162.1	-179.6	0	0	112.6	R217 I232 H233 S240	R217-E236 IonicContact CZ-OE1 3.54Å; R217-E236 IonicContact CZ-OE2 2.8Å; R217-E236 VanDerWaalsContact CZ-OE2 3.24Å; R217-E236 VanDerWaalsContact NE-CD 3.33Å; R217-E236 IonicContact NE-OE1 2.77Å; R217-E236 PolarHBondContact NE-OE1 3.35Å; R217-E236 IonicContact NE-OE2 3.45Å; R217-E236 IonicContact NH1-OE2 2.59Å; R217-E236 IonicContact NH2-OE1 2.66Å; R217-E236 PolarHBondContact NH2-OE1 3.46Å; R217-E236 IonicContact NH2-OE2 3.7Å; R217-E236 PolarHBondContact NH2-OE2 3.16Å; I232-E236 WeakPolarHBondContact O-CB 3.48Å; I232-E236 WeakPolarHBondContact O-CG 3.41Å; I232-E236 PolarHBondContact O-N 3.23Å; H233-E236 IonicContact CE1-OE2 3.56Å; H233-E236 IonicContact ND1-OE2 2.73Å; H233-E236 PolarHBondContact ND1-OE2 3.35Å; H233-E236 PolarHBondContact O-N 3.26Å; E236-S240 WeakPolarHBondContact O-CA 3.42Å; E236-S240 WeakPolarHBondContact O-CB 3.48Å; E236-S240 PolarHBondContact O-N 3.22Å
237	R	87.3	Confident	85.9	Confident	204 Å²	204	79 Å²	79	77%	0.77	38%	0.375	S	S	*	.	H	α-helix	trans	-72.6	-45.7	177.5	-165.3	178.3	-164.2	-178.4	4.8	111.7	H233 D234 H235 S240	H233-R237 WeakPolarHBondContact O-CB 3.23Å; H233-R237 PolarHBondContact O-N 3.43Å; D234-R237 PolarHBondContact O-N 2.82Å; H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact O-N 2.61Å; R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-OG 2.8Å
238	Q	89.2	Confident	86	Confident	155 Å²	155	82.1 Å²	82.1	72%	0.724	39%	0.389	S	S	*	.	H	α-helix	trans	-66.8	-46.4	180	-72.6	172.5	6.4	0	0	111.9	D234 H235 S240	D234-Q238 WeakPolarHBondContact O-CB 3.33Å; D234-Q238 VanDerWaalsContact O-CG 3.25Å; D234-Q238 WeakPolarHBondContact O-CG 3.45Å; D234-Q238 PolarHBondContact O-N 3.21Å; H235-Q238 PolarHBondContact O-N 2.88Å; Q238-S240 VanDerWaalsContact C-N 3.27Å; Q238-S240 PolarHBondContact O-N 2.99Å
239	C	87.9	Confident	86.1	Confident	34 Å²	34	86.6 Å²	86.6	23%	0.23	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	23.4	-179.3	-59.9	0	0	0	0	113.3	H235 Y241 E242 H243	H235-C239 VanDerWaalsContact CE1-SG 3.55Å; H235-C239 PolarHBondContact ND1-SG 3.45Å; H235-C239 VanDerWaalsContact ND1-SG 3.4Å; H235-C239 WeakPolarHBondContact O-CB 3.33Å; H235-C239 PolarHBondContact O-N 2.97Å; C239-Y241 VanDerWaalsContact C-N 3.28Å; C239-Y241 PolarHBondContact O-N 2.95Å; C239-E242 VanDerWaalsContact C-OE2 3.31Å; C239-E242 WeakPolarHBondContact CA-OE2 3.2Å; C239-E242 PolarHBondContact O-N 2.83Å; C239-H243 WeakPolarHBondContact O-CB 3.27Å; C239-H243 PolarHBondContact O-N 2.97Å; C239-H243 PolarHBondContact O-ND1 2.69Å
240	S	87.4	Confident	86.6	Confident	58 Å²	58	86.7 Å²	86.7	41%	0.406	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-33.4	-174.7	50	0	0	0	0	112.7	E236 R237 Q238 L244	E236-S240 WeakPolarHBondContact O-CA 3.42Å; E236-S240 WeakPolarHBondContact O-CB 3.48Å; E236-S240 PolarHBondContact O-N 3.22Å; R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-OG 2.8Å; Q238-S240 VanDerWaalsContact C-N 3.27Å; Q238-S240 PolarHBondContact O-N 2.99Å; S240-L244 WeakPolarHBondContact O-CB 3.48Å; S240-L244 VanDerWaalsContact O-CG 3.28Å; S240-L244 WeakPolarHBondContact O-CG 3.33Å; S240-L244 PolarHBondContact O-N 3.34Å
241	Y	88.9	Confident	87.1	Confident	160 Å²	160	86.8 Å²	86.8	63%	0.627	41%	0.414	S	S	*	.	H	α-helix	trans	-70.5	-44.9	176.4	-177.3	-107.3	0	0	0	112.2	C239 L244 N245	C239-Y241 VanDerWaalsContact C-N 3.28Å; C239-Y241 PolarHBondContact O-N 2.95Å; Y241-L244 PolarHBondContact O-N 3.22Å; Y241-N245 WeakPolarHBondContact CE1-ND2 3.32Å; Y241-N245 PolarHBondContact O-N 2.71Å; Y241-N245 PolarHBondContact O-ND2 3.22Å
242	E	86.9	Confident	87.1	Confident	100 Å²	100	87.2 Å²	87.2	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-43.1	174.7	-64.3	85.9	165.8	0	0	111.4	C239 L244 N245 L246	C239-E242 VanDerWaalsContact C-OE2 3.31Å; C239-E242 WeakPolarHBondContact CA-OE2 3.2Å; C239-E242 PolarHBondContact O-N 2.83Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.42Å; E242-N245 PolarHBondContact O-N 2.9Å; E242-L246 WeakPolarHBondContact O-CG 3.38Å; E242-L246 PolarHBondContact O-N 2.93Å
243	H	92.1	Very high	87.1	Confident	5 Å²	5	87.8 Å²	87.8	2%	0.023	43%	0.43	C	S	.	.	H	α-helix	trans	-62.2	-38.6	176	-66.1	142.6	0	0	0	112.5	C216 F218 C223 H235 C239 L246 L247	C216-H243 PolarHBondContact SG-NE2 3.23Å; C216-H243 VanDerWaalsContact SG-NE2 3.43Å; F218-H243 VanDerWaalsContact CB-CD2 3.46Å; F218-H243 WeakPolarHBondContact CB-CD2 3.41Å; F218-H243 HydrophobicContact CD1-CB 4.27Å; F218-H243 HydrophobicContact CD2-CB 3.77Å; F218-H243 AromaticContact CD2-CD2 3.47Å; F218-H243 VanDerWaalsContact CD2-CD2 3.47Å; F218-H243 WeakPolarHBondContact CD2-CD2 3.42Å; F218-H243 AromaticContact CD2-CE1 3.75Å; F218-H243 AromaticContact CD2-CG 3.31Å; F218-H243 AromaticContact CD2-ND1 3.49Å; F218-H243 WeakPolarHBondContact CD2-ND1 3.49Å; F218-H243 AromaticContact CD2-NE2 3.74Å; F218-H243 HydrophobicContact CE1-CB 4.44Å; F218-H243 HydrophobicContact CE2-CB 3.94Å; F218-H243 AromaticContact CE2-CG 3.81Å; F218-H243 AromaticContact CE2-ND1 3.8Å; F218-H243 HydrophobicContact CG-CB 3.95Å; F218-H243 AromaticContact CG-CD2 3.61Å; F218-H243 AromaticContact CG-CG 3.73Å; F218-H243 HydrophobicContact CZ-CB 4.27Å; C223-H243 PolarHBondContact SG-NE2 2.9Å; H235-H243 AromaticContact CE1-CE1 3.8Å; H235-H243 AromaticContact CE1-NE2 3.91Å; H235-H243 AromaticContact NE2-CE1 3.57Å; H235-H243 AromaticContact NE2-NE2 3.61Å; C239-H243 WeakPolarHBondContact O-CB 3.27Å; C239-H243 PolarHBondContact O-N 2.97Å; C239-H243 PolarHBondContact O-ND1 2.69Å; H243-L246 PolarHBondContact O-N 2.82Å; H243-L247 WeakPolarHBondContact O-CG 3.24Å; H243-L247 PolarHBondContact O-N 2.66Å
244	L	87.4	Confident	86.8	Confident	111 Å²	111	85.5 Å²	85.5	58%	0.581	42%	0.421	S	S	*	.	H	α-helix	trans	-66	-39.4	173.6	-77.4	167.3	0	0	0	112.3	S240 Y241 E242 L247 L248	S240-L244 WeakPolarHBondContact O-CB 3.48Å; S240-L244 VanDerWaalsContact O-CG 3.28Å; S240-L244 WeakPolarHBondContact O-CG 3.33Å; S240-L244 PolarHBondContact O-N 3.34Å; Y241-L244 PolarHBondContact O-N 3.22Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.42Å; L244-L247 PolarHBondContact O-N 3.38Å; L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 PolarHBondContact O-N 3.02Å
245	N	87.8	Confident	86.3	Confident	66 Å²	66	86.8 Å²	86.8	35%	0.353	42%	0.422	S	S	.	.	H	α-helix	trans	-67.3	-39	175.2	-76.9	-35.8	0	0	0	112.6	Y241 E242 L248 H249	Y241-N245 WeakPolarHBondContact CE1-ND2 3.32Å; Y241-N245 PolarHBondContact O-N 2.71Å; Y241-N245 PolarHBondContact O-ND2 3.22Å; E242-N245 PolarHBondContact O-N 2.9Å; N245-L248 PolarHBondContact O-N 3.43Å; N245-H249 WeakPolarHBondContact O-CB 3.19Å; N245-H249 PolarHBondContact O-N 2.9Å
246	L	90.1	Very high	85.7	Confident	54 Å²	54	90.6 Å²	90.6	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-44.5	173.3	-71.7	174.7	0	0	0	111.5	V221 C223 E242 H243 H249 F250	V221-L246 HydrophobicContact CG2-CB 4.19Å; C223-L246 HydrophobicContact CB-CD1 4.19Å; E242-L246 WeakPolarHBondContact O-CG 3.38Å; E242-L246 PolarHBondContact O-N 2.93Å; H243-L246 PolarHBondContact O-N 2.82Å; L246-H249 PolarHBondContact O-N 2.78Å; L246-F250 WeakPolarHBondContact O-CB 3.47Å; L246-F250 PolarHBondContact O-N 3.32Å
247	L	88.6	Confident	84.9	Confident	57 Å²	57	92.8 Å²	92.8	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-44.8	172.7	-77.2	174.8	0	0	0	112.1	F218 V221 H243 L244 F250 I251	F218-L247 HydrophobicContact CD1-CG 4.38Å; F218-L247 HydrophobicContact CE1-CD1 3.89Å; F218-L247 HydrophobicContact CE1-CD2 4.49Å; F218-L247 HydrophobicContact CE1-CG 4.24Å; V221-L247 HydrophobicContact CG1-CD2 4.38Å; V221-L247 HydrophobicContact CG2-CD2 4.34Å; H243-L247 WeakPolarHBondContact O-CG 3.24Å; H243-L247 PolarHBondContact O-N 2.66Å; L244-L247 PolarHBondContact O-N 3.38Å; L247-F250 PolarHBondContact O-N 2.99Å; L247-I251 WeakPolarHBondContact O-CB 3.35Å; L247-I251 WeakPolarHBondContact O-CD1 3.11Å; L247-I251 VanDerWaalsContact O-CG1 3.23Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.28Å
248	L	86.6	Confident	83.7	Confident	91 Å²	91	88.5 Å²	88.5	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-46.3	178.6	178.3	61	0	0	0	111.1	L244 N245 F250 I251 M252	L244-L248 WeakPolarHBondContact O-CB 3.47Å; L244-L248 PolarHBondContact O-N 3.02Å; N245-L248 PolarHBondContact O-N 3.43Å; L248-F250 VanDerWaalsContact C-N 3.35Å; L248-F250 PolarHBondContact O-N 3.27Å; L248-I251 PolarHBondContact O-N 2.94Å; L248-M252 HydrophobicContact CD1-CG 4.21Å; L248-M252 HydrophobicContact CD1-SD 4.16Å; L248-M252 HydrophobicContact CG-CG 4.49Å; L248-M252 HydrophobicContact CG-SD 4.02Å; L248-M252 WeakPolarHBondContact O-CB 3.42Å; L248-M252 VanDerWaalsContact O-CG 3.27Å; L248-M252 WeakPolarHBondContact O-CG 3.08Å; L248-M252 PolarHBondContact O-N 2.79Å
249	H	85.6	Confident	82.3	Confident	147 Å²	147	85.7 Å²	85.7	68%	0.681	44%	0.443	S	S	*	.	H	α-helix	trans	-61.4	-42.5	176.4	-174.9	-89.2	0	0	0	111.8	N245 L246 M252 G253	N245-H249 WeakPolarHBondContact O-CB 3.19Å; N245-H249 PolarHBondContact O-N 2.9Å; L246-H249 PolarHBondContact O-N 2.78Å; H249-M252 PolarHBondContact O-N 2.86Å; H249-G253 PolarHBondContact O-N 3.43Å
250	F	88	Confident	80.7	Confident	104 Å²	104	88.6 Å²	88.6	46%	0.456	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-44.9	175.6	-173.8	-102.7	0	0	0	112.1	V221 L246 L247 L248 G253 I254	V221-F250 HydrophobicContact CG1-CB 4.2Å; V221-F250 HydrophobicContact CG1-CD1 4.01Å; V221-F250 HydrophobicContact CG1-CD2 4.07Å; V221-F250 HydrophobicContact CG1-CE1 4.39Å; V221-F250 HydrophobicContact CG1-CE2 4.45Å; V221-F250 HydrophobicContact CG1-CG 3.84Å; L246-F250 WeakPolarHBondContact O-CB 3.47Å; L246-F250 PolarHBondContact O-N 3.32Å; L247-F250 PolarHBondContact O-N 2.99Å; L248-F250 VanDerWaalsContact C-N 3.35Å; L248-F250 PolarHBondContact O-N 3.27Å; F250-G253 PolarHBondContact O-N 2.87Å; F250-I254 HydrophobicContact CD1-CD1 3.86Å; F250-I254 HydrophobicContact CE1-CD1 3.51Å; F250-I254 HydrophobicContact CZ-CD1 4.07Å; F250-I254 WeakPolarHBondContact O-CG1 3.46Å; F250-I254 PolarHBondContact O-N 3.45Å
251	I	86.7	Confident	79	Confident	101 Å²	101	92.4 Å²	92.4	52%	0.518	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-38.6	176.2	-69	164.8	0	0	0	111.3	L247 L248 I254 K255	L247-I251 WeakPolarHBondContact O-CB 3.35Å; L247-I251 WeakPolarHBondContact O-CD1 3.11Å; L247-I251 VanDerWaalsContact O-CG1 3.23Å; L247-I251 WeakPolarHBondContact O-CG1 3.42Å; L247-I251 PolarHBondContact O-N 3.28Å; L248-I251 PolarHBondContact O-N 2.94Å; I251-I254 PolarHBondContact O-N 3.49Å; I251-K255 WeakPolarHBondContact O-CB 3.29Å; I251-K255 PolarHBondContact O-N 3.32Å
252	M	83	Confident	77.2	Confident	107 Å²	107	90.9 Å²	90.9	53%	0.527	48%	0.478	S	S	.	.	H	α-helix	trans	-64.9	-40	173.9	-74.6	177.4	69.3	0	0	111.7	L248 H249 I254 K255 V256	L248-M252 HydrophobicContact CD1-CG 4.21Å; L248-M252 HydrophobicContact CD1-SD 4.16Å; L248-M252 HydrophobicContact CG-CG 4.49Å; L248-M252 HydrophobicContact CG-SD 4.02Å; L248-M252 WeakPolarHBondContact O-CB 3.42Å; L248-M252 VanDerWaalsContact O-CG 3.27Å; L248-M252 WeakPolarHBondContact O-CG 3.08Å; L248-M252 PolarHBondContact O-N 2.79Å; H249-M252 PolarHBondContact O-N 2.86Å; M252-I254 PolarHBondContact O-N 3.21Å; M252-K255 PolarHBondContact O-N 2.84Å; M252-V256 WeakPolarHBondContact O-CG2 3.49Å; M252-V256 PolarHBondContact O-N 3.16Å
253	G	82.7	Confident	75.5	Confident	35 Å²	35	90.9 Å²	90.9	36%	0.361	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-40.8	172.7	0	0	0	0	0	112.6	H249 F250 S257	H249-G253 PolarHBondContact O-N 3.43Å; F250-G253 PolarHBondContact O-N 2.87Å; G253-S257 WeakPolarHBondContact O-CB 3.36Å; G253-S257 PolarHBondContact O-N 3.48Å; G253-S257 PolarHBondContact O-OG 2.88Å
254	I	77	Confident	73.6	Confident	78 Å²	78	97.2 Å²	97.2	40%	0.4	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-43.7	172	-69.3	169.7	0	0	0	110.9	F250 I251 M252 S257 L258	F250-I254 HydrophobicContact CD1-CD1 3.86Å; F250-I254 HydrophobicContact CE1-CD1 3.51Å; F250-I254 HydrophobicContact CZ-CD1 4.07Å; F250-I254 WeakPolarHBondContact O-CG1 3.46Å; F250-I254 PolarHBondContact O-N 3.45Å; I251-I254 PolarHBondContact O-N 3.49Å; M252-I254 PolarHBondContact O-N 3.21Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.01Å; I254-L258 HydrophobicContact CG2-CD1 3.8Å; I254-L258 HydrophobicContact CG2-CG 4.3Å; I254-L258 WeakPolarHBondContact O-CG 3.5Å; I254-L258 PolarHBondContact O-N 3.35Å
255	K	76.3	Confident	72	Confident	116 Å²	116	97.8 Å²	97.8	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-50.5	178.6	180	-175.5	165.5	-176.1	0	111.5	I251 M252 S257 L258 E259	I251-K255 WeakPolarHBondContact O-CB 3.29Å; I251-K255 PolarHBondContact O-N 3.32Å; M252-K255 PolarHBondContact O-N 2.84Å; K255-S257 VanDerWaalsContact C-N 3.26Å; K255-S257 PolarHBondContact O-N 2.98Å; K255-L258 CarbonylContact O-C 3.53Å; K255-L258 PolarHBondContact O-N 2.84Å; K255-L258 VanDerWaalsContact O-N 3.11Å; K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 VanDerWaalsContact CE-OE2 3.3Å; K255-E259 WeakPolarHBondContact CE-OE2 3.29Å; K255-E259 HydrophobicContact CG-CG 4.38Å; K255-E259 IonicContact NZ-OE1 3.86Å; K255-E259 PolarHBondContact NZ-OE1 3.5Å; K255-E259 WeakPolarHBondContact O-CG 3.38Å; K255-E259 PolarHBondContact O-N 3.34Å
256	V	75.2	Confident	70.3	Confident	95 Å²	95	101 Å²	101	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-59.8	-39.6	176.6	171.1	0	0	0	0	110.8	M252 L258 E259 S260	M252-V256 WeakPolarHBondContact O-CG2 3.49Å; M252-V256 PolarHBondContact O-N 3.16Å; V256-L258 VanDerWaalsContact C-N 3.35Å; V256-L258 PolarHBondContact O-N 3.47Å; V256-E259 PolarHBondContact O-N 3.17Å; V256-S260 WeakPolarHBondContact O-CB 3.24Å; V256-S260 PolarHBondContact O-N 3.47Å
257	S	69	Low	68.6	Low	70 Å²	70	104.9 Å²	104.9	49%	0.49	56%	0.557	S	S	.	*	H	α-helix	trans	-63.7	-38.3	176	-55.1	0	0	0	0	112.2	G253 I254 K255 S260	G253-S257 WeakPolarHBondContact O-CB 3.36Å; G253-S257 PolarHBondContact O-N 3.48Å; G253-S257 PolarHBondContact O-OG 2.88Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.01Å; K255-S257 VanDerWaalsContact C-N 3.26Å; K255-S257 PolarHBondContact O-N 2.98Å; S257-S260 PolarHBondContact O-OG 3.2Å
258	L	61.8	Low	67.2	Low	114 Å²	114	105.3 Å²	105.3	60%	0.597	56%	0.562	S	S	*	*	H	α-helix	trans	-75.3	-36	175.7	-69.8	170.6	0	0	0	113	I254 K255 V256 S260 L261	I254-L258 HydrophobicContact CG2-CD1 3.8Å; I254-L258 HydrophobicContact CG2-CG 4.3Å; I254-L258 WeakPolarHBondContact O-CG 3.5Å; I254-L258 PolarHBondContact O-N 3.35Å; K255-L258 CarbonylContact O-C 3.53Å; K255-L258 PolarHBondContact O-N 2.84Å; K255-L258 VanDerWaalsContact O-N 3.11Å; V256-L258 VanDerWaalsContact C-N 3.35Å; V256-L258 PolarHBondContact O-N 3.47Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 3.47Å; L258-L261 HydrophobicContact CD2-CD1 4.44Å; L258-L261 WeakPolarHBondContact O-CB 3.5Å; L258-L261 PolarHBondContact O-N 2.92Å
259	E	58.7	Low	65.8	Low	97 Å²	97	103.6 Å²	103.6	45%	0.453	56%	0.561	S	S	.	*	H	α-helix	trans	-67.3	-31.2	173.8	-73.4	174.4	150.4	0	0	111.4	K255 V256 L261 Q262	K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 VanDerWaalsContact CE-OE2 3.3Å; K255-E259 WeakPolarHBondContact CE-OE2 3.29Å; K255-E259 HydrophobicContact CG-CG 4.38Å; K255-E259 IonicContact NZ-OE1 3.86Å; K255-E259 PolarHBondContact NZ-OE1 3.5Å; K255-E259 WeakPolarHBondContact O-CG 3.38Å; K255-E259 PolarHBondContact O-N 3.34Å; V256-E259 PolarHBondContact O-N 3.17Å; E259-L261 PolarHBondContact O-N 3.36Å; E259-L261 VanDerWaalsContact O-N 3.17Å; E259-Q262 PolarHBondContact O-N 3.4Å
260	S	55.7	Low	64.3	Low	95 Å²	95	99.8 Å²	99.8	66%	0.664	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-8.6	172.7	81.6	0	0	0	0	114.7	V256 S257 L258	V256-S260 WeakPolarHBondContact O-CB 3.24Å; V256-S260 PolarHBondContact O-N 3.47Å; S257-S260 PolarHBondContact O-OG 3.2Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 3.47Å
261	L	51.8	Low	63.3	Low	137 Å²	137	100.5 Å²	100.5	72%	0.717	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	10	176.9	-65.9	167.6	0	0	0	113.4	L258 E259	L258-L261 HydrophobicContact CD2-CD1 4.44Å; L258-L261 WeakPolarHBondContact O-CB 3.5Å; L258-L261 PolarHBondContact O-N 2.92Å; E259-L261 PolarHBondContact O-N 3.36Å; E259-L261 VanDerWaalsContact O-N 3.17Å
262	Q	50.2	Low	62.5	Low	129 Å²	129	102.6 Å²	102.6	60%	0.603	56%	0.561	S	S	*	*	S	Bend	trans	-76.6	156.1	173.6	-85.7	-168.3	-11.5	0	0	113.5	E259 Q264	E259-Q262 PolarHBondContact O-N 3.4Å; Q262-Q264 PolarHBondContact O-N 3.05Å
263	P	52.2	Low	61.3	Low	99 Å²	99	103.6 Å²	103.6	64%	0.643	57%	0.568	S	S	*	*	S	Bend	trans	-77.8	35	-158.9	32.6	-39	0	0	0	116.9	T265 L266	P263-T265 PolarHBondContact O-N 3.31Å; P263-L266 PolarHBondContact O-N 2.83Å
264	Q	50.3	Low	60.5	Low	139 Å²	139	108.3 Å²	108.3	65%	0.65	58%	0.58	S	S	*	*	H	α-helix	trans	-63	-23.3	-179.9	-65.8	179.1	-0.9	0	0	113.4	Q262 L266 V268	Q262-Q264 PolarHBondContact O-N 3.05Å; Q264-L266 VanDerWaalsContact C-N 3.26Å; Q264-L266 PolarHBondContact O-N 3Å; Q264-V268 WeakPolarHBondContact O-CB 3.37Å; Q264-V268 VanDerWaalsContact O-CG2 3.3Å; Q264-V268 WeakPolarHBondContact O-CG2 3.32Å; Q264-V268 PolarHBondContact O-N 3.01Å
265	T	55.1	Low	60.4	Low	122 Å²	122	108.9 Å²	108.9	75%	0.748	59%	0.587	S	S	*	*	H	α-helix	trans	-64.6	-26.4	176.6	44.3	0	0	0	0	113.5	P263 A269	P263-T265 PolarHBondContact O-N 3.31Å; T265-A269 WeakPolarHBondContact O-CB 3.25Å; T265-A269 PolarHBondContact O-N 2.98Å
266	L	50.9	Low	59.6	Low	134 Å²	134	108.6 Å²	108.6	70%	0.702	59%	0.591	S	S	*	*	H	α-helix	trans	-83	-41.7	-177.5	-153.9	74.6	0	0	0	112.3	P263 Q264 A269 S270	P263-L266 PolarHBondContact O-N 2.83Å; Q264-L266 VanDerWaalsContact C-N 3.26Å; Q264-L266 PolarHBondContact O-N 3Å; L266-A269 PolarHBondContact O-N 2.93Å; L266-S270 WeakPolarHBondContact O-CB 3.33Å; L266-S270 PolarHBondContact O-N 3.27Å
267	E	55.6	Low	58.9	Low	136 Å²	136	109.2 Å²	109.2	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-43.3	174.9	-73.9	-173.3	133.3	0	0	111.8	A269 S270 Q271	E267-A269 VanDerWaalsContact C-N 3.3Å; E267-A269 PolarHBondContact O-N 2.78Å; E267-S270 PolarHBondContact O-N 3.35Å; E267-Q271 WeakPolarHBondContact O-CG 3.38Å; E267-Q271 PolarHBondContact O-N 3.18Å
268	V	59.7	Low	59	Low	66 Å²	66	112.1 Å²	112.1	40%	0.4	59%	0.593	S	S	.	*	H	α-helix	trans	-66	-33.6	177	174.9	0	0	0	0	111.4	Q264 K272	Q264-V268 WeakPolarHBondContact O-CB 3.37Å; Q264-V268 VanDerWaalsContact O-CG2 3.3Å; Q264-V268 WeakPolarHBondContact O-CG2 3.32Å; Q264-V268 PolarHBondContact O-N 3.01Å; V268-K272 HydrophobicContact CG1-CD 4.09Å; V268-K272 VanDerWaalsContact O-CB 3.3Å; V268-K272 WeakPolarHBondContact O-CB 3.29Å; V268-K272 VanDerWaalsContact O-CG 3.23Å; V268-K272 WeakPolarHBondContact O-CG 3.37Å; V268-K272 PolarHBondContact O-N 3Å
269	A	56	Low	59.4	Low	55 Å²	55	109.5 Å²	109.5	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-43.3	171.8	0	0	0	0	0	111.9	T265 L266 E267 K272 L273	T265-A269 WeakPolarHBondContact O-CB 3.25Å; T265-A269 PolarHBondContact O-N 2.98Å; L266-A269 PolarHBondContact O-N 2.93Å; E267-A269 VanDerWaalsContact C-N 3.3Å; E267-A269 PolarHBondContact O-N 2.78Å; A269-K272 PolarHBondContact O-N 2.89Å; A269-L273 WeakPolarHBondContact O-CB 3.39Å; A269-L273 PolarHBondContact O-N 2.93Å
270	S	55.3	Low	59.5	Low	66 Å²	66	109.4 Å²	109.4	46%	0.462	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-47.1	177.2	-173.6	0	0	0	0	112.3	L266 E267 L273 Q274	L266-S270 WeakPolarHBondContact O-CB 3.33Å; L266-S270 PolarHBondContact O-N 3.27Å; E267-S270 PolarHBondContact O-N 3.35Å; S270-L273 PolarHBondContact O-N 3.23Å; S270-Q274 PolarHBondContact O-N 3.26Å
271	Q	66.8	Low	60	Low	120 Å²	120	112 Å²	112	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-62.1	-43.9	175.4	-73.2	178.4	-5.7	0	0	111.7	E267 L273 Q274 V275	E267-Q271 WeakPolarHBondContact O-CG 3.38Å; E267-Q271 PolarHBondContact O-N 3.18Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 3.02Å; Q271-Q274 PolarHBondContact O-N 2.56Å; Q271-V275 WeakPolarHBondContact O-CG2 3.35Å; Q271-V275 PolarHBondContact O-N 3.41Å
272	K	68.6	Low	60.8	Low	144 Å²	144	110 Å²	110	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-62.8	-36.8	175.3	-77	176.2	179.5	-179.7	0	112.4	V268 A269 V275 L276	V268-K272 HydrophobicContact CG1-CD 4.09Å; V268-K272 VanDerWaalsContact O-CB 3.3Å; V268-K272 WeakPolarHBondContact O-CB 3.29Å; V268-K272 VanDerWaalsContact O-CG 3.23Å; V268-K272 WeakPolarHBondContact O-CG 3.37Å; V268-K272 PolarHBondContact O-N 3Å; A269-K272 PolarHBondContact O-N 2.89Å; K272-V275 PolarHBondContact O-N 3.46Å; K272-L276 WeakPolarHBondContact O-CB 3.1Å; K272-L276 PolarHBondContact O-N 2.81Å
273	L	58.5	Low	61.1	Low	129 Å²	129	108.8 Å²	108.8	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-67.2	-41.2	176.8	-160.9	76.9	0	0	0	111.8	A269 S270 Q271 L276 H277	A269-L273 WeakPolarHBondContact O-CB 3.39Å; A269-L273 PolarHBondContact O-N 2.93Å; S270-L273 PolarHBondContact O-N 3.23Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 3.02Å; L273-L276 PolarHBondContact O-N 3.21Å; L273-H277 WeakPolarHBondContact O-CB 3.3Å; L273-H277 PolarHBondContact O-N 3.38Å
274	Q	66.9	Low	61.3	Low	133 Å²	133	110.4 Å²	110.4	62%	0.621	57%	0.565	S	S	*	*	H	α-helix	trans	-62.7	-47.3	172.9	-77	-175.3	-26	0	0	111.9	S270 Q271 L276 H277 Q278	S270-Q274 PolarHBondContact O-N 3.26Å; Q271-Q274 PolarHBondContact O-N 2.56Å; Q274-L276 VanDerWaalsContact C-N 3.34Å; Q274-L276 PolarHBondContact O-N 2.98Å; Q274-H277 PolarHBondContact O-N 2.98Å; Q274-Q278 WeakPolarHBondContact O-CB 3.17Å; Q274-Q278 PolarHBondContact O-N 2.99Å
275	V	74.4	Confident	61.7	Low	90 Å²	90	108.5 Å²	108.5	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-60.8	-41.8	177.2	170.9	0	0	0	0	111.4	Q271 K272 Q278 S279	Q271-V275 WeakPolarHBondContact O-CG2 3.35Å; Q271-V275 PolarHBondContact O-N 3.41Å; K272-V275 PolarHBondContact O-N 3.46Å; V275-Q278 PolarHBondContact O-N 2.96Å; V275-S279 WeakPolarHBondContact O-CB 3.38Å; V275-S279 PolarHBondContact O-N 2.93Å; V275-S279 PolarHBondContact O-OG 3.12Å
276	L	59.3	Low	61.9	Low	111 Å²	111	108 Å²	108	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-64.8	-41.6	177.8	-152.3	81.9	0	0	0	111.9	K272 L273 Q274 Q278 S279 L280	K272-L276 WeakPolarHBondContact O-CB 3.1Å; K272-L276 PolarHBondContact O-N 2.81Å; L273-L276 PolarHBondContact O-N 3.21Å; Q274-L276 VanDerWaalsContact C-N 3.34Å; Q274-L276 PolarHBondContact O-N 2.98Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.7Å; L276-S279 PolarHBondContact O-N 3.05Å; L276-L280 PolarHBondContact O-N 2.81Å
277	H	60.1	Low	62	Low	108 Å²	108	108.6 Å²	108.6	50%	0.5	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-33.6	177	-170.8	-159.5	0	0	0	112.1	L273 Q274 R281	L273-H277 WeakPolarHBondContact O-CB 3.3Å; L273-H277 PolarHBondContact O-N 3.38Å; Q274-H277 PolarHBondContact O-N 2.98Å; H277-R281 PolarHBondContact O-N 3.34Å
278	Q	71.4	Confident	61.8	Low	130 Å²	130	106.6 Å²	106.6	61%	0.607	55%	0.547	S	S	*	.	H	α-helix	trans	-74.2	-38.5	174.4	-165.3	158.9	8.2	0	0	112.1	Q274 V275 L276 L280 R281 E282	Q274-Q278 WeakPolarHBondContact O-CB 3.17Å; Q274-Q278 PolarHBondContact O-N 2.99Å; V275-Q278 PolarHBondContact O-N 2.96Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.7Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; Q278-L280 PolarHBondContact O-N 3.11Å; Q278-R281 PolarHBondContact O-N 3.23Å; Q278-E282 PolarHBondContact O-N 3.45Å
279	S	69.9	Low	61.6	Low	59 Å²	59	109.8 Å²	109.8	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-64.5	-35.3	172.5	-67.1	0	0	0	0	112.8	V275 L276 E282 L283	V275-S279 WeakPolarHBondContact O-CB 3.38Å; V275-S279 PolarHBondContact O-N 2.93Å; V275-S279 PolarHBondContact O-OG 3.12Å; L276-S279 PolarHBondContact O-N 3.05Å; S279-E282 PolarHBondContact O-N 2.83Å; S279-L283 WeakPolarHBondContact O-CB 3.47Å; S279-L283 PolarHBondContact O-N 3.28Å
280	L	60.6	Low	61.1	Low	96 Å²	96	114.8 Å²	114.8	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-46.4	173.7	-86.7	163.4	0	0	0	112	L276 Q278 E282 L283 E284	L276-L280 PolarHBondContact O-N 2.81Å; Q278-L280 VanDerWaalsContact C-N 3.34Å; Q278-L280 PolarHBondContact O-N 3.11Å; L280-E282 VanDerWaalsContact C-N 3.33Å; L280-E282 PolarHBondContact O-N 2.85Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 3.19Å; L280-E284 WeakPolarHBondContact O-CG 3.46Å; L280-E284 PolarHBondContact O-N 3.46Å
281	R	67.3	Low	60.3	Low	149 Å²	149	115.5 Å²	115.5	56%	0.562	59%	0.594	S	S	*	*	H	α-helix	trans	-62.6	-39.2	173.6	-67.5	-170	-159.7	-153.2	3.9	112.5	H277 Q278 L283 E284 L285	H277-R281 PolarHBondContact O-N 3.34Å; Q278-R281 PolarHBondContact O-N 3.23Å; R281-L283 VanDerWaalsContact C-N 3.27Å; R281-L283 PolarHBondContact O-N 3.43Å; R281-E284 PolarHBondContact O-N 3Å; R281-L285 WeakPolarHBondContact O-CB 3.45Å; R281-L285 PolarHBondContact O-N 3.48Å
282	E	68.4	Low	58.5	Low	95 Å²	95	113.4 Å²	113.4	44%	0.444	60%	0.604	S	S	.	*	H	α-helix	trans	-63.5	-33.1	172.7	-86.5	-165.8	-154.5	0	0	112.5	Q278 S279 L280 L285 K286	Q278-E282 PolarHBondContact O-N 3.45Å; S279-E282 PolarHBondContact O-N 2.83Å; L280-E282 VanDerWaalsContact C-N 3.33Å; L280-E282 PolarHBondContact O-N 2.85Å; E282-L285 PolarHBondContact O-N 3.27Å; E282-K286 VanDerWaalsContact O-CB 3.26Å; E282-K286 WeakPolarHBondContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CD 3.33Å; E282-K286 WeakPolarHBondContact O-CG 3.4Å; E282-K286 PolarHBondContact O-N 3.11Å; E282-K286 IonicContact OE2-NZ 3.99Å; E282-K286 PolarHBondContact OE2-NZ 2.88Å
283	L	56	Low	56.7	Low	104 Å²	104	110.7 Å²	110.7	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-68.9	-44.2	175.8	-138.2	80	0	0	0	111.1	S279 L280 R281 L285 K286 M287	S279-L283 WeakPolarHBondContact O-CB 3.47Å; S279-L283 PolarHBondContact O-N 3.28Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 3.19Å; R281-L283 VanDerWaalsContact C-N 3.27Å; R281-L283 PolarHBondContact O-N 3.43Å; L283-L285 VanDerWaalsContact C-N 3.3Å; L283-L285 PolarHBondContact O-N 2.89Å; L283-K286 PolarHBondContact O-N 2.93Å; L283-M287 WeakPolarHBondContact O-CB 3.41Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.47Å; L283-M287 PolarHBondContact O-N 2.9Å
284	E	56.7	Low	55.2	Low	133 Å²	133	108.1 Å²	108.1	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-58.8	-40.8	173.5	-68.2	171.8	154.3	0	0	111.6	L280 R281 S288	L280-E284 WeakPolarHBondContact O-CG 3.46Å; L280-E284 PolarHBondContact O-N 3.46Å; R281-E284 PolarHBondContact O-N 3Å; E284-S288 PolarHBondContact O-N 3.48Å; E284-S288 PolarHBondContact O-OG 3.02Å
285	L	58	Low	54.2	Low	99 Å²	99	108 Å²	108	52%	0.518	63%	0.633	S	S	.	*	H	α-helix	trans	-71.3	-38.7	175.6	-115.9	125.8	0	0	0	113.2	R281 E282 L283 S288 Q289	R281-L285 WeakPolarHBondContact O-CB 3.45Å; R281-L285 PolarHBondContact O-N 3.48Å; E282-L285 PolarHBondContact O-N 3.27Å; L283-L285 VanDerWaalsContact C-N 3.3Å; L283-L285 PolarHBondContact O-N 2.89Å; L285-S288 WeakPolarHBondContact CA-OG 3.34Å; L285-S288 PolarHBondContact O-N 3.02Å; L285-S288 PolarHBondContact O-OG 2.92Å; L285-Q289 WeakPolarHBondContact O-CB 3.42Å; L285-Q289 WeakPolarHBondContact O-CG 3.4Å; L285-Q289 PolarHBondContact O-N 3.38Å; L285-Q289 VanDerWaalsContact O-N 3.16Å
286	K	58.9	Low	51.9	Low	110 Å²	110	108.1 Å²	108.1	48%	0.478	64%	0.643	S	S	.	*	H	α-helix	trans	-73.3	-33.4	178	-74.9	166.8	-174	164.6	0	112.1	E282 L283 S288 Q289 L290	E282-K286 VanDerWaalsContact O-CB 3.26Å; E282-K286 WeakPolarHBondContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CD 3.33Å; E282-K286 WeakPolarHBondContact O-CG 3.4Å; E282-K286 PolarHBondContact O-N 3.11Å; E282-K286 IonicContact OE2-NZ 3.99Å; E282-K286 PolarHBondContact OE2-NZ 2.88Å; L283-K286 PolarHBondContact O-N 2.93Å; K286-S288 PolarHBondContact O-N 2.8Å; K286-Q289 PolarHBondContact O-N 3.2Å; K286-Q289 VanDerWaalsContact O-N 3.17Å; K286-L290 WeakPolarHBondContact O-CG 3.44Å; K286-L290 PolarHBondContact O-N 3.27Å
287	M	53.2	Low	51.4	Low	148 Å²	148	108.4 Å²	108.4	73%	0.729	65%	0.652	S	S	*	*	H	α-helix	trans	-63.6	-27.2	170	-76.7	179.8	62.6	0	0	112.7	L283	L283-M287 WeakPolarHBondContact O-CB 3.41Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.47Å; L283-M287 PolarHBondContact O-N 2.9Å
288	S	51.4	Low	50	Low	93 Å²	93	109.2 Å²	109.2	65%	0.65	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-4.7	174.8	41.2	0	0	0	0	114.3	E284 L285 K286	E284-S288 PolarHBondContact O-N 3.48Å; E284-S288 PolarHBondContact O-OG 3.02Å; L285-S288 WeakPolarHBondContact CA-OG 3.34Å; L285-S288 PolarHBondContact O-N 3.02Å; L285-S288 PolarHBondContact O-OG 2.92Å; K286-S288 PolarHBondContact O-N 2.8Å
289	Q	56.9	Low	48	Very low	134 Å²	134	112.1 Å²	112.1	63%	0.626	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-0.5	-178.9	-71.6	-176.5	-2.6	0	0	115.3	L285 K286 G291	L285-Q289 WeakPolarHBondContact O-CB 3.42Å; L285-Q289 WeakPolarHBondContact O-CG 3.4Å; L285-Q289 PolarHBondContact O-N 3.38Å; L285-Q289 VanDerWaalsContact O-N 3.16Å; K286-Q289 PolarHBondContact O-N 3.2Å; K286-Q289 VanDerWaalsContact O-N 3.17Å; Q289-G291 PolarHBondContact O-N 3.5Å
290	L	44.6	Very low	46.2	Very low	160 Å²	160	112.7 Å²	112.7	84%	0.838	69%	0.693	S	S	*	*			trans	-73.4	34.3	174.4	-83.8	164.6	0	0	0	114.2	K286	K286-L290 WeakPolarHBondContact O-CG 3.44Å; K286-L290 PolarHBondContact O-N 3.27Å
291	G	37.9	Very low	44.9	Very low	81 Å²	81	113.3 Å²	113.3	84%	0.835	71%	0.712	S	S	*	*	S	Bend	trans	-129.5	62.5	176.1	0	0	0	0	0	111.9	Q289	Q289-G291 PolarHBondContact O-N 3.5Å
292	G	30.7	Very low	43.1	Very low	75 Å²	75	112.8 Å²	112.8	77%	0.773	73%	0.73	S	S	*	*			trans	170.3	121	175.8	0	0	0	0	0	111.9
293	G	29.7	Very low	41.6	Very low	87 Å²	87	112.6 Å²	112.6	90%	0.897	74%	0.744	S	S	*	*			trans	-105.9	177.2	-176.2	0	0	0	0	0	114.3
294	G	28.1	Very low	40.5	Very low	76 Å²	76	115.3 Å²	115.3	78%	0.784	76%	0.758	S	S	*	*			trans	143.7	142	162.4	0	0	0	0	0	114.9
295	P	43.9	Very low	39.4	Very low	131 Å²	131	115.2 Å²	115.2	85%	0.851	77%	0.767	S	S	*	*			trans	-131.3	177.6	-159.1	40.9	-23.3	0	0	0	118
296	A	27.7	Very low	38.4	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	79%	0.787	S	S	*	*			trans	93.5	178.2	147.2	0	0	0	0	0	119.3
297	P	48.2	Very low	37.2	Very low	117 Å²	117	117.4 Å²	117.4	76%	0.76	80%	0.795	S	S	*	*				-140.5	-155.4	-89	42.8	-23.1	0	0	0	116.3
298	V	30.7	Very low	36.3	Very low	126 Å²	126	117.4 Å²	117.4	76%	0.764	80%	0.803	S	S	*	*			trans	133.8	160.8	146.8	-177.8	0	0	0	0	117.9
299	Q	30.1	Very low	35.7	Very low	190 Å²	190	117.2 Å²	117.2	89%	0.888	80%	0.802	S	S	*	*			trans	-116.9	-176.2	-153.7	-48	140.7	-39.5	0	0	116.4
300	G	32.2	Very low	34.5	Very low	71 Å²	71	119.6 Å²	119.6	73%	0.732	81%	0.81	S	S	*	*			trans	135.6	132.1	149.3	0	0	0	0	0	116.7
301	A	32	Very low	34.1	Very low	109 Å²	109	118.3 Å²	118.3	90%	0.901	81%	0.809	S	S	*	*				94.6	141.7	53.5	0	0	0	0	0	113.6
302	C	30.8	Very low	34.8	Very low	139 Å²	139	119.8 Å²	119.8	94%	0.939	80%	0.804	S	S	*	*			cis	-159.8	-159.7	-3.8	-157.8	0	0	0	0	111.9
303	A	37	Very low	34.9	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	81%	0.808	S	S	*	*			trans	-136	169.6	-178.2	0	0	0	0	0	116.4
304	L	32	Very low	35.6	Very low	160 Å²	160	123.4 Å²	123.4	84%	0.838	79%	0.789	S	S	*	*			trans	-148	131.9	-172	-76	169.5	0	0	0	111.5
305	T	34.4	Very low	36.6	Very low	132 Å²	132	126 Å²	126	81%	0.81	80%	0.795	S	S	*	*				85.3	145.7	69.5	62.3	0	0	0	0	118.4
306	L	36.8	Very low	36.9	Very low	176 Å²	176	124.2 Å²	124.2	92%	0.921	79%	0.791	S	S	*	*			trans	-151.2	152.1	-170.4	-130.4	171.6	0	0	0	112
307	A	33.5	Very low	37.9	Very low	79 Å²	79	125 Å²	125	65%	0.653	78%	0.781	S	S	*	*			trans	-164.7	170.9	178.7	0	0	0	0	0	116.2
308	T	34.4	Very low	37.9	Very low	147 Å²	147	121.2 Å²	121.2	90%	0.902	76%	0.763	S	S	*	*			trans	108.1	160.8	155.8	70.4	0	0	0	0	120.5
309	S	36.9	Very low	39	Very low	90 Å²	90	118.8 Å²	118.8	63%	0.629	76%	0.756	S	S	*	*			trans	-147	175.9	-151.8	51.9	0	0	0	0	113.2
310	F	32.4	Very low	40.2	Very low	183 Å²	183	112.9 Å²	112.9	80%	0.803	74%	0.739	S	S	*	*			trans	139.4	123.6	140.6	-82.3	-75.1	0	0	0	119.2
311	T	35.8	Very low	41.4	Very low	133 Å²	133	114.8 Å²	114.8	82%	0.816	73%	0.732	S	S	*	*			trans	60.5	156.3	142.6	46.8	0	0	0	0	126.1
312	P	53.2	Low	42.6	Very low	112 Å²	112	114.8 Å²	114.8	73%	0.727	71%	0.714	S	S	*	*			trans	-125.7	155.7	-166.1	41.6	-25.9	0	0	0	118.4
313	L	33.3	Very low	44.1	Very low	161 Å²	161	114.3 Å²	114.3	84%	0.843	70%	0.701	S	S	*	*			trans	-177.8	-174.8	159.6	-129.1	79.2	0	0	0	109.9
314	P	43.9	Very low	45.5	Very low	78 Å²	78	115.4 Å²	115.4	51%	0.506	69%	0.691	S	S	.	*				-114.8	171.6	-64	35.2	-19	0	0	0	114.8	A316 M317	P314-A316 VanDerWaalsContact C-N 3.3Å; P314-A316 PolarHBondContact O-N 3.47Å; P314-M317 PolarHBondContact O-N 2.83Å
315	S	49.5	Very low	47.2	Very low	130 Å²	130	112 Å²	112	91%	0.909	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	6.5	-166.4	-41.7	0	0	0	0	119.6
316	A	49.1	Very low	48.9	Very low	93 Å²	93	110.3 Å²	110.3	77%	0.769	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-14.5	171.1	0	0	0	0	0	112.9	P314 G318	P314-A316 VanDerWaalsContact C-N 3.3Å; P314-A316 PolarHBondContact O-N 3.47Å; A316-G318 PolarHBondContact O-N 3.49Å
317	M	49.4	Very low	50.7	Low	108 Å²	108	104.1 Å²	104.1	53%	0.532	63%	0.627	S	S	.	*	S	Bend	trans	-72.1	-13.1	170.4	-75	179.6	63.4	0	0	112.8	P314 A319 A320 L321	P314-M317 PolarHBondContact O-N 2.83Å; M317-A319 PolarHBondContact O-N 3.37Å; M317-A320 PolarHBondContact O-N 3.32Å; M317-L321 WeakPolarHBondContact O-CB 3.43Å; M317-L321 PolarHBondContact O-N 3.3Å
318	G	49.3	Very low	52.6	Low	37 Å²	37	104 Å²	104	38%	0.381	61%	0.613	S	S	.	*	H	α-helix	trans	-47.6	-60.3	-177.7	0	0	0	0	0	113	A316 A320 L321 E322	A316-G318 PolarHBondContact O-N 3.49Å; G318-A320 PolarHBondContact O-N 2.59Å; G318-L321 PolarHBondContact O-N 2.96Å; G318-E322 WeakPolarHBondContact O-CB 3.45Å; G318-E322 PolarHBondContact O-N 3.45Å
319	A	53	Low	54.5	Low	75 Å²	75	102 Å²	102	62%	0.62	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-34.1	-176.9	0	0	0	0	0	114.4	M317 L323	M317-A319 PolarHBondContact O-N 3.37Å; A319-L323 WeakPolarHBondContact O-CB 3.48Å; A319-L323 PolarHBondContact O-N 2.77Å
320	A	55.9	Low	56.4	Low	66 Å²	66	102 Å²	102	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-74.5	-39.4	177.6	0	0	0	0	0	111.8	M317 G318 L323 Q324	M317-A320 PolarHBondContact O-N 3.32Å; G318-A320 PolarHBondContact O-N 2.59Å; A320-L323 PolarHBondContact O-N 3.01Å; A320-Q324 WeakPolarHBondContact O-CB 3.35Å; A320-Q324 PolarHBondContact O-N 2.94Å
321	L	55.6	Low	58.6	Low	111 Å²	111	98.1 Å²	98.1	58%	0.581	57%	0.571	S	S	*	*	H	α-helix	trans	-70.3	-33.9	174.6	-166.7	69.6	0	0	0	111.2	M317 G318 Q324 L325	M317-L321 WeakPolarHBondContact O-CB 3.43Å; M317-L321 PolarHBondContact O-N 3.3Å; G318-L321 PolarHBondContact O-N 2.96Å; L321-Q324 PolarHBondContact O-N 3.31Å; L321-L325 WeakPolarHBondContact O-CB 3.42Å; L321-L325 PolarHBondContact O-N 2.84Å
322	E	58.2	Low	60.8	Low	110 Å²	110	96.2 Å²	96.2	51%	0.514	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-44.3	173	-162.6	93.8	-127.9	0	0	110.8	G318 L325 Q326	G318-E322 WeakPolarHBondContact O-CB 3.45Å; G318-E322 PolarHBondContact O-N 3.45Å; E322-L325 PolarHBondContact O-N 2.91Å; E322-Q326 WeakPolarHBondContact O-CB 3.3Å; E322-Q326 PolarHBondContact O-N 2.81Å
323	L	62.4	Low	61.9	Low	129 Å²	129	93.7 Å²	93.7	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-43.2	172.7	-88	164.5	0	0	0	112.3	A319 A320 Q326 S327	A319-L323 WeakPolarHBondContact O-CB 3.48Å; A319-L323 PolarHBondContact O-N 2.77Å; A320-L323 PolarHBondContact O-N 3.01Å; L323-Q326 PolarHBondContact O-N 3.28Å; L323-S327 WeakPolarHBondContact O-CB 3.48Å; L323-S327 PolarHBondContact O-N 3.18Å
324	Q	66.1	Low	64.2	Low	114 Å²	114	89.9 Å²	89.9	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-42.9	174.8	-165.1	75	3.6	0	0	110.8	A320 L321 S327 E328	A320-Q324 WeakPolarHBondContact O-CB 3.35Å; A320-Q324 PolarHBondContact O-N 2.94Å; L321-Q324 PolarHBondContact O-N 3.31Å; Q324-S327 WeakPolarHBondContact O-CB 3.37Å; Q324-S327 PolarHBondContact O-N 3.1Å; Q324-E328 WeakPolarHBondContact O-CG 3.43Å; Q324-E328 PolarHBondContact O-N 3.2Å
325	L	68.6	Low	66	Low	87 Å²	87	91.2 Å²	91.2	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-37.9	176.9	-179.1	65.7	0	0	0	111.8	L321 E322 K329	L321-L325 WeakPolarHBondContact O-CB 3.42Å; L321-L325 PolarHBondContact O-N 2.84Å; E322-L325 PolarHBondContact O-N 2.91Å; L325-K329 HydrophobicContact CG-CD 4.43Å; L325-K329 VanDerWaalsContact O-CB 3.31Å; L325-K329 WeakPolarHBondContact O-CB 3.45Å; L325-K329 WeakPolarHBondContact O-CG 3.41Å; L325-K329 PolarHBondContact O-N 3.23Å
326	Q	68.6	Low	67.5	Low	97 Å²	97	87.9 Å²	87.9	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-39.2	173.8	-128.4	76.3	-48.4	0	0	111.5	E322 L323 K329 T330	E322-Q326 WeakPolarHBondContact O-CB 3.3Å; E322-Q326 PolarHBondContact O-N 2.81Å; L323-Q326 PolarHBondContact O-N 3.28Å; Q326-K329 PolarHBondContact O-N 2.98Å; Q326-T330 WeakPolarHBondContact O-CG2 3.43Å; Q326-T330 PolarHBondContact O-N 3Å; Q326-T330 PolarHBondContact O-OG1 3.34Å
327	S	75.2	Confident	69.3	Low	46 Å²	46	88.8 Å²	88.8	32%	0.322	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-45.1	174.2	-176.1	0	0	0	0	112.2	L323 Q324 T330 K331	L323-S327 WeakPolarHBondContact O-CB 3.48Å; L323-S327 PolarHBondContact O-N 3.18Å; Q324-S327 WeakPolarHBondContact O-CB 3.37Å; Q324-S327 PolarHBondContact O-N 3.1Å; S327-T330 PolarHBondContact O-N 3.42Å; S327-T330 PolarHBondContact O-OG1 2.87Å; S327-K331 WeakPolarHBondContact O-CG 3.24Å; S327-K331 PolarHBondContact O-N 2.87Å
328	E	74.6	Confident	71	Confident	77 Å²	77	90.7 Å²	90.7	36%	0.36	49%	0.489	S	S	.	.	H	α-helix	trans	-67.7	-36.6	174.4	-66	-51.1	135.7	0	0	111.7	Q324 T330 K331 V332	Q324-E328 WeakPolarHBondContact O-CG 3.43Å; Q324-E328 PolarHBondContact O-N 3.2Å; E328-T330 VanDerWaalsContact C-N 3.35Å; E328-T330 PolarHBondContact O-N 3Å; E328-K331 PolarHBondContact O-N 3.08Å; E328-K331 IonicContact OE1-NZ 2.78Å; E328-K331 PolarHBondContact OE1-NZ 3.45Å; E328-K331 WeakPolarHBondContact OE2-CD 3.49Å; E328-K331 IonicContact OE2-NZ 3.57Å; E328-V332 WeakPolarHBondContact O-CB 3.5Å; E328-V332 VanDerWaalsContact O-CG2 3.25Å; E328-V332 WeakPolarHBondContact O-CG2 3.42Å; E328-V332 PolarHBondContact O-N 2.98Å
329	K	72.9	Confident	72.6	Confident	105 Å²	105	92.4 Å²	92.4	46%	0.457	50%	0.495	S	S	.	.	H	α-helix	trans	-58.4	-42.2	171	-79.9	168.5	-174.2	164.9	0	112.3	L325 Q326 V332 A333	L325-K329 HydrophobicContact CG-CD 4.43Å; L325-K329 VanDerWaalsContact O-CB 3.31Å; L325-K329 WeakPolarHBondContact O-CB 3.45Å; L325-K329 WeakPolarHBondContact O-CG 3.41Å; L325-K329 PolarHBondContact O-N 3.23Å; Q326-K329 PolarHBondContact O-N 2.98Å; K329-V332 PolarHBondContact O-N 2.74Å; K329-A333 WeakPolarHBondContact O-CB 3.36Å; K329-A333 PolarHBondContact O-N 3.11Å
330	T	76.6	Confident	74.2	Confident	90 Å²	90	94.1 Å²	94.1	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-70.4	-36.6	177.8	55.8	0	0	0	0	112.3	Q326 S327 E328 A333 E334	Q326-T330 WeakPolarHBondContact O-CG2 3.43Å; Q326-T330 PolarHBondContact O-N 3Å; Q326-T330 PolarHBondContact O-OG1 3.34Å; S327-T330 PolarHBondContact O-N 3.42Å; S327-T330 PolarHBondContact O-OG1 2.87Å; E328-T330 VanDerWaalsContact C-N 3.35Å; E328-T330 PolarHBondContact O-N 3Å; T330-A333 PolarHBondContact O-N 3.18Å; T330-E334 PolarHBondContact O-N 3.4Å
331	K	80.2	Confident	75.7	Confident	102 Å²	102	94.5 Å²	94.5	44%	0.443	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-43	171.5	-67.9	171.5	-169.5	173	0	112.4	S327 E328 A333 E334 L335	S327-K331 WeakPolarHBondContact O-CG 3.24Å; S327-K331 PolarHBondContact O-N 2.87Å; E328-K331 PolarHBondContact O-N 3.08Å; E328-K331 IonicContact OE1-NZ 2.78Å; E328-K331 PolarHBondContact OE1-NZ 3.45Å; E328-K331 WeakPolarHBondContact OE2-CD 3.49Å; E328-K331 IonicContact OE2-NZ 3.57Å; K331-A333 VanDerWaalsContact C-N 3.33Å; K331-E334 PolarHBondContact O-N 3.17Å; K331-L335 WeakPolarHBondContact O-CB 3.48Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.14Å
332	V	80.5	Confident	77.1	Confident	92 Å²	92	94.2 Å²	94.2	56%	0.558	48%	0.479	S	S	*	.	H	α-helix	trans	-63.5	-39.8	175.8	168.2	0	0	0	0	110.8	E328 K329 L335 S336	E328-V332 WeakPolarHBondContact O-CB 3.5Å; E328-V332 VanDerWaalsContact O-CG2 3.25Å; E328-V332 WeakPolarHBondContact O-CG2 3.42Å; E328-V332 PolarHBondContact O-N 2.98Å; K329-V332 PolarHBondContact O-N 2.74Å; V332-L335 PolarHBondContact O-N 2.89Å; V332-S336 VanDerWaalsContact O-CB 3.29Å; V332-S336 WeakPolarHBondContact O-CB 2.94Å; V332-S336 PolarHBondContact O-N 3.2Å
333	A	77.2	Confident	78.4	Confident	60 Å²	60	95.4 Å²	95.4	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-44.3	174.4	0	0	0	0	0	112.5	K329 T330 K331 S336 R337	K329-A333 WeakPolarHBondContact O-CB 3.36Å; K329-A333 PolarHBondContact O-N 3.11Å; T330-A333 PolarHBondContact O-N 3.18Å; K331-A333 VanDerWaalsContact C-N 3.33Å; A333-S336 PolarHBondContact O-N 3.42Å; A333-R337 PolarHBondContact O-N 3.42Å
334	E	81.8	Confident	79.6	Confident	80 Å²	80	94.7 Å²	94.7	37%	0.374	48%	0.481	S	S	.	.	H	α-helix	trans	-69.1	-36.5	176.9	175.1	56.1	-162.1	0	0	112.6	T330 K331 R337 R338	T330-E334 PolarHBondContact O-N 3.4Å; K331-E334 PolarHBondContact O-N 3.17Å; E334-R337 PolarHBondContact O-N 2.98Å; E334-R337 IonicContact OE1-CZ 2.66Å; E334-R337 IonicContact OE1-NE 2.82Å; E334-R337 IonicContact OE1-NH2 2.69Å; E334-R337 PolarHBondContact OE1-NH2 2.85Å; E334-R337 IonicContact OE2-CZ 2.85Å; E334-R337 IonicContact OE2-NE 3.33Å; E334-R337 PolarHBondContact OE2-NE 3.28Å; E334-R337 IonicContact OE2-NH2 3.15Å; E334-R337 PolarHBondContact OE2-NH2 3Å; E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-N 2.78Å; E334-R338 IonicContact OE1-NE 3.05Å
335	L	81.7	Confident	80.6	Confident	106 Å²	106	93.8 Å²	93.8	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-63.2	-43.2	170.6	-80.4	167.9	0	0	0	111.3	K331 V332 R338 C339	K331-L335 WeakPolarHBondContact O-CB 3.48Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.14Å; V332-L335 PolarHBondContact O-N 2.89Å; L335-R338 PolarHBondContact O-N 3.21Å; L335-C339 PolarHBondContact O-N 2.96Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.33Å
336	S	80	Confident	81.5	Confident	61 Å²	61	93.1 Å²	93.1	43%	0.427	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-44	176	-173.2	0	0	0	0	111.6	V332 A333 R338 C339 Q340	V332-S336 VanDerWaalsContact O-CB 3.29Å; V332-S336 WeakPolarHBondContact O-CB 2.94Å; V332-S336 PolarHBondContact O-N 3.2Å; A333-S336 PolarHBondContact O-N 3.42Å; S336-R338 PolarHBondContact O-N 3.06Å; S336-C339 PolarHBondContact O-N 3.26Å; S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-N 2.89Å
337	R	87	Confident	82.3	Confident	112 Å²	112	92.6 Å²	92.6	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	-58.8	-44.2	173.1	-166.9	-165.3	68.3	70.2	1.9	112	A333 E334 Q340 E341	A333-R337 PolarHBondContact O-N 3.42Å; E334-R337 PolarHBondContact O-N 2.98Å; E334-R337 IonicContact OE1-CZ 2.66Å; E334-R337 IonicContact OE1-NE 2.82Å; E334-R337 IonicContact OE1-NH2 2.69Å; E334-R337 PolarHBondContact OE1-NH2 2.85Å; E334-R337 IonicContact OE2-CZ 2.85Å; E334-R337 IonicContact OE2-NE 3.33Å; E334-R337 PolarHBondContact OE2-NE 3.28Å; E334-R337 IonicContact OE2-NH2 3.15Å; E334-R337 PolarHBondContact OE2-NH2 3Å; R337-Q340 PolarHBondContact O-N 3.26Å; R337-E341 IonicContact CZ-OE2 3.94Å; R337-E341 IonicContact NH1-OE2 3.16Å; R337-E341 PolarHBondContact NH1-OE2 3.41Å; R337-E341 IonicContact NH2-OE2 2.93Å; R337-E341 PolarHBondContact O-N 3.27Å
338	R	85.6	Confident	83.1	Confident	147 Å²	147	94.1 Å²	94.1	56%	0.555	48%	0.482	S	S	*	.	H	α-helix	trans	-65.9	-38.6	176.6	-80.8	177.1	149.7	-155.6	-8.1	112.9	E334 L335 S336 E341 L342	E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 WeakPolarHBondContact O-CG 3.48Å; E334-R338 PolarHBondContact O-N 2.78Å; E334-R338 IonicContact OE1-NE 3.05Å; L335-R338 PolarHBondContact O-N 3.21Å; S336-R338 PolarHBondContact O-N 3.06Å; R338-E341 PolarHBondContact O-N 3.08Å; R338-L342 WeakPolarHBondContact O-CB 3.47Å; R338-L342 PolarHBondContact O-N 2.91Å
339	C	83.6	Confident	83.8	Confident	73 Å²	73	96.8 Å²	96.8	49%	0.493	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.4	-72	0	0	0	0	111.5	L335 S336 E341 L342 E343	L335-C339 PolarHBondContact O-N 2.96Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.33Å; S336-C339 PolarHBondContact O-N 3.26Å; C339-E341 VanDerWaalsContact C-N 3.33Å; C339-E341 PolarHBondContact O-N 3.32Å; C339-L342 CarbonylContact O-C 3.58Å; C339-L342 WeakPolarHBondContact O-CA 3.21Å; C339-L342 WeakPolarHBondContact O-CB 3.38Å; C339-L342 PolarHBondContact O-N 2.78Å; C339-L342 VanDerWaalsContact O-N 3.12Å; C339-E343 PolarHBondContact O-N 2.94Å
340	Q	85.6	Confident	84.5	Confident	111 Å²	111	97.6 Å²	97.6	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-39.8	174.7	-70.6	171.6	-15.2	0	0	112.3	S336 R337 L342 E343 L344	S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-N 2.89Å; R337-Q340 PolarHBondContact O-N 3.26Å; Q340-L342 VanDerWaalsContact C-N 3.29Å; Q340-L342 PolarHBondContact O-N 3.19Å; Q340-E343 PolarHBondContact O-N 3.45Å; Q340-L344 PolarHBondContact O-N 2.73Å
341	E	87.4	Confident	85.1	Confident	75 Å²	75	97.9 Å²	97.9	35%	0.35	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-31	175.6	-155.1	-167.9	128	0	0	112.3	R337 R338 C339 K345	R337-E341 IonicContact CZ-OE2 3.94Å; R337-E341 IonicContact NH1-OE2 3.16Å; R337-E341 PolarHBondContact NH1-OE2 3.41Å; R337-E341 IonicContact NH2-OE2 2.93Å; R337-E341 PolarHBondContact O-N 3.27Å; R338-E341 PolarHBondContact O-N 3.08Å; C339-E341 VanDerWaalsContact C-N 3.33Å; C339-E341 PolarHBondContact O-N 3.32Å; E341-K345 WeakPolarHBondContact O-CD 3.41Å; E341-K345 VanDerWaalsContact O-CG 3.29Å; E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 2.95Å; E341-K345 IonicContact OE1-NZ 3.57Å; E341-K345 PolarHBondContact OE1-NZ 3.2Å
342	L	85.6	Confident	85.7	Confident	104 Å²	104	97 Å²	97	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-74.1	-44	172.9	-91.8	153.2	0	0	0	112.2	R338 C339 Q340 L344 K345 V346	R338-L342 WeakPolarHBondContact O-CB 3.47Å; R338-L342 PolarHBondContact O-N 2.91Å; C339-L342 CarbonylContact O-C 3.58Å; C339-L342 WeakPolarHBondContact O-CA 3.21Å; C339-L342 WeakPolarHBondContact O-CB 3.38Å; C339-L342 PolarHBondContact O-N 2.78Å; C339-L342 VanDerWaalsContact O-N 3.12Å; Q340-L342 VanDerWaalsContact C-N 3.29Å; Q340-L342 PolarHBondContact O-N 3.19Å; L342-L344 VanDerWaalsContact C-N 3.33Å; L342-L344 PolarHBondContact O-N 3.06Å; L342-K345 PolarHBondContact O-N 3.07Å; L342-K345 VanDerWaalsContact O-N 3.11Å; L342-V346 WeakPolarHBondContact O-CG2 3.31Å; L342-V346 PolarHBondContact O-N 3.3Å
343	E	84.9	Confident	86.2	Confident	135 Å²	135	97.1 Å²	97.1	63%	0.631	50%	0.497	S	S	*	.	H	α-helix	trans	-57.8	-44.2	174.4	-76.5	178.7	139.1	0	0	111.5	C339 Q340 K345 V346 N347	C339-E343 PolarHBondContact O-N 2.94Å; Q340-E343 PolarHBondContact O-N 3.45Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 3.13Å; E343-V346 PolarHBondContact O-N 2.89Å; E343-N347 WeakPolarHBondContact O-CB 3.43Å; E343-N347 PolarHBondContact O-N 3.11Å
344	L	88.1	Confident	86.8	Confident	115 Å²	115	98.4 Å²	98.4	60%	0.602	50%	0.501	S	S	*	.	H	α-helix	trans	-59.7	-40.7	174.4	-80.2	164.7	0	0	0	112.4	Q340 L342 T348	Q340-L344 PolarHBondContact O-N 2.73Å; L342-L344 VanDerWaalsContact C-N 3.33Å; L342-L344 PolarHBondContact O-N 3.06Å; L344-T348 WeakPolarHBondContact O-CB 3.29Å; L344-T348 PolarHBondContact O-N 3.2Å; L344-T348 PolarHBondContact O-OG1 3.45Å
345	K	87.8	Confident	87.3	Confident	95 Å²	95	99 Å²	99	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-69.1	-43.2	176.7	-72.8	167.3	-168.4	168.4	0	111.8	E341 L342 E343 T348 F349	E341-K345 WeakPolarHBondContact O-CD 3.41Å; E341-K345 VanDerWaalsContact O-CG 3.29Å; E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 2.95Å; E341-K345 IonicContact OE1-NZ 3.57Å; E341-K345 PolarHBondContact OE1-NZ 3.2Å; L342-K345 PolarHBondContact O-N 3.07Å; L342-K345 VanDerWaalsContact O-N 3.11Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 3.13Å; K345-T348 WeakPolarHBondContact O-CB 3.34Å; K345-T348 PolarHBondContact O-N 2.8Å; K345-F349 HydrophobicContact CB-CE2 4.32Å; K345-F349 WeakPolarHBondContact O-CD2 3.33Å; K345-F349 WeakPolarHBondContact O-CG 3.41Å; K345-F349 PolarHBondContact O-N 3.07Å
346	V	86.7	Confident	87.6	Confident	73 Å²	73	99.2 Å²	99.2	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-58.8	-51.9	175.6	170.2	0	0	0	0	110.4	L342 E343 T348 F349 E350	L342-V346 WeakPolarHBondContact O-CG2 3.31Å; L342-V346 PolarHBondContact O-N 3.3Å; E343-V346 PolarHBondContact O-N 2.89Å; V346-T348 VanDerWaalsContact C-N 3.26Å; V346-T348 PolarHBondContact O-N 3.28Å; V346-F349 PolarHBondContact O-N 3.41Å; V346-E350 HydrophobicContact CG1-CG 4.39Å; V346-E350 WeakPolarHBondContact O-CG 3.49Å; V346-E350 PolarHBondContact O-N 2.89Å
347	N	86.5	Confident	88	Confident	85 Å²	85	100.6 Å²	100.6	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-59	-37.5	176.7	-173.7	24.1	0	0	0	111.7	E343 E350 N351	E343-N347 WeakPolarHBondContact O-CB 3.43Å; E343-N347 PolarHBondContact O-N 3.11Å; N347-E350 PolarHBondContact O-N 3.05Å; N347-N351 PolarHBondContact O-N 3.49Å; N347-N351 VanDerWaalsContact O-N 3.1Å; N347-N351 PolarHBondContact O-ND2 3.33Å; N347-N351 PolarHBondContact OD1-ND2 2.94Å; N347-N351 VanDerWaalsContact OD1-ND2 3.16Å
348	T	90.9	Very high	88.2	Confident	78 Å²	78	102.5 Å²	102.5	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-43.1	174	-54.6	0	0	0	0	111.8	L344 K345 V346 N351 I352	L344-T348 WeakPolarHBondContact O-CB 3.29Å; L344-T348 PolarHBondContact O-N 3.2Å; L344-T348 PolarHBondContact O-OG1 3.45Å; K345-T348 WeakPolarHBondContact O-CB 3.34Å; K345-T348 PolarHBondContact O-N 2.8Å; V346-T348 VanDerWaalsContact C-N 3.26Å; V346-T348 PolarHBondContact O-N 3.28Å; T348-N351 PolarHBondContact O-N 3.13Å; T348-I352 HydrophobicContact CG2-CD1 4.18Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 2.99Å; T348-I352 VanDerWaalsContact O-N 3.09Å
349	F	89.1	Confident	88.3	Confident	134 Å²	134	100 Å²	100	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-67.6	-39.6	176.5	-69.5	-54.2	0	0	0	112.8	K345 V346 N351 I352 V353	K345-F349 HydrophobicContact CB-CE2 4.32Å; K345-F349 WeakPolarHBondContact O-CD2 3.33Å; K345-F349 WeakPolarHBondContact O-CG 3.41Å; K345-F349 PolarHBondContact O-N 3.07Å; V346-F349 PolarHBondContact O-N 3.41Å; F349-N351 VanDerWaalsContact C-N 3.32Å; F349-N351 PolarHBondContact O-N 2.98Å; F349-I352 HydrophobicContact CD1-CD1 4.41Å; F349-I352 PolarHBondContact O-N 2.77Å; F349-V353 WeakPolarHBondContact O-CG2 3.4Å; F349-V353 PolarHBondContact O-N 3.33Å
350	E	88.1	Confident	88.6	Confident	122 Å²	122	102.5 Å²	102.5	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-59	-43.6	174.6	-72.6	179.5	149.2	0	0	111.5	V346 N347 V353 C354	V346-E350 HydrophobicContact CG1-CG 4.39Å; V346-E350 WeakPolarHBondContact O-CG 3.49Å; V346-E350 PolarHBondContact O-N 2.89Å; N347-E350 PolarHBondContact O-N 3.05Å; E350-V353 PolarHBondContact O-N 3.45Å; E350-C354 WeakPolarHBondContact O-CB 3.44Å; E350-C354 PolarHBondContact O-N 2.83Å
351	N	89.8	Confident	88.8	Confident	95 Å²	95	102.6 Å²	102.6	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-42.7	174.5	-78.5	-69.6	0	0	0	112.3	N347 T348 F349 C354 V355	N347-N351 PolarHBondContact O-N 3.49Å; N347-N351 VanDerWaalsContact O-N 3.1Å; N347-N351 PolarHBondContact O-ND2 3.33Å; N347-N351 PolarHBondContact OD1-ND2 2.94Å; N347-N351 VanDerWaalsContact OD1-ND2 3.16Å; T348-N351 PolarHBondContact O-N 3.13Å; F349-N351 VanDerWaalsContact C-N 3.32Å; F349-N351 PolarHBondContact O-N 2.98Å; N351-C354 PolarHBondContact O-N 3.4Å; N351-V355 WeakPolarHBondContact O-CG2 3.27Å; N351-V355 PolarHBondContact O-N 2.83Å; N351-V355 VanDerWaalsContact O-N 3.09Å
352	I	92.2	Very high	88.9	Confident	83 Å²	83	104.6 Å²	104.6	43%	0.426	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-46.2	176	-68.9	164.7	0	0	0	110.9	T348 F349 C354 V355 L356	T348-I352 HydrophobicContact CG2-CD1 4.18Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 2.99Å; T348-I352 VanDerWaalsContact O-N 3.09Å; F349-I352 HydrophobicContact CD1-CD1 4.41Å; F349-I352 PolarHBondContact O-N 2.77Å; I352-C354 VanDerWaalsContact C-N 3.32Å; I352-C354 PolarHBondContact O-N 3.26Å; I352-V355 PolarHBondContact O-N 3.41Å; I352-L356 HydrophobicContact CG2-CD1 3.78Å; I352-L356 HydrophobicContact CG2-CG 4.28Å; I352-L356 WeakPolarHBondContact O-CB 3.45Å; I352-L356 WeakPolarHBondContact O-CG 3.42Å; I352-L356 PolarHBondContact O-N 3.29Å
353	V	90	Very high	88.9	Confident	96 Å²	96	102.9 Å²	102.9	58%	0.582	52%	0.523	S	S	*	.	H	α-helix	trans	-61.3	-40.7	177.6	170	0	0	0	0	111	F349 E350 L356 N357	F349-V353 WeakPolarHBondContact O-CG2 3.4Å; F349-V353 PolarHBondContact O-N 3.33Å; E350-V353 PolarHBondContact O-N 3.45Å; V353-L356 PolarHBondContact O-N 2.86Å; V353-N357 WeakPolarHBondContact O-CB 3.17Å; V353-N357 PolarHBondContact O-N 3.4Å
354	C	89.7	Confident	89.1	Confident	87 Å²	87	99.6 Å²	99.6	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-61.8	-44.9	176.6	-170.4	0	0	0	0	112.3	E350 N351 I352 R358	E350-C354 WeakPolarHBondContact O-CB 3.44Å; E350-C354 PolarHBondContact O-N 2.83Å; N351-C354 PolarHBondContact O-N 3.4Å; I352-C354 VanDerWaalsContact C-N 3.32Å; I352-C354 PolarHBondContact O-N 3.26Å; C354-R358 WeakPolarHBondContact O-CB 3.31Å; C354-R358 PolarHBondContact O-N 3.24Å; C354-R358 VanDerWaalsContact O-N 3.11Å
355	V	92.7	Very high	89.3	Confident	93 Å²	93	98.1 Å²	98.1	56%	0.564	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-45.7	176.1	173.8	0	0	0	0	111.3	N351 I352 N357 R358 E359	N351-V355 WeakPolarHBondContact O-CG2 3.27Å; N351-V355 PolarHBondContact O-N 2.83Å; N351-V355 VanDerWaalsContact O-N 3.09Å; I352-V355 PolarHBondContact O-N 3.41Å; V355-N357 PolarHBondContact O-N 3.24Å; V355-R358 PolarHBondContact O-N 3.49Å; V355-E359 PolarHBondContact O-N 2.69Å
356	L	88.5	Confident	89.3	Confident	110 Å²	110	97.1 Å²	97.1	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-40.4	178.4	-72.4	173.9	0	0	0	112.3	I352 V353 R358 E359 M360	I352-L356 HydrophobicContact CG2-CD1 3.78Å; I352-L356 HydrophobicContact CG2-CG 4.28Å; I352-L356 WeakPolarHBondContact O-CB 3.45Å; I352-L356 WeakPolarHBondContact O-CG 3.42Å; I352-L356 PolarHBondContact O-N 3.29Å; V353-L356 PolarHBondContact O-N 2.86Å; L356-R358 VanDerWaalsContact C-N 3.34Å; L356-R358 PolarHBondContact O-N 3.49Å; L356-E359 PolarHBondContact O-N 3.44Å; L356-M360 WeakPolarHBondContact O-CB 3.42Å; L356-M360 PolarHBondContact O-N 3.23Å
357	N	88.6	Confident	89.5	Confident	89 Å²	89	98.9 Å²	98.9	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-40.5	176.7	-167.7	65.2	0	0	0	111.3	V353 V355 E359 M360 E361	V353-N357 WeakPolarHBondContact O-CB 3.17Å; V353-N357 PolarHBondContact O-N 3.4Å; V355-N357 PolarHBondContact O-N 3.24Å; N357-E359 PolarHBondContact O-N 3.33Å; N357-M360 WeakPolarHBondContact O-CB 3.31Å; N357-M360 PolarHBondContact O-N 2.78Å; N357-E361 PolarHBondContact ND2-OE1 3.11Å; N357-E361 WeakPolarHBondContact O-CG 3.46Å; N357-E361 PolarHBondContact O-N 3.32Å
358	R	90.7	Very high	89.7	Confident	153 Å²	153	99 Å²	99	58%	0.577	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-35.8	175.9	-166.3	177.2	-173.7	-174.3	1.9	113	C354 V355 L356 R362	C354-R358 WeakPolarHBondContact O-CB 3.31Å; C354-R358 PolarHBondContact O-N 3.24Å; C354-R358 VanDerWaalsContact O-N 3.11Å; V355-R358 PolarHBondContact O-N 3.49Å; L356-R358 VanDerWaalsContact C-N 3.34Å; L356-R358 PolarHBondContact O-N 3.49Å; R358-R362 WeakPolarHBondContact O-CD 3.46Å; R358-R362 VanDerWaalsContact O-CG 3.27Å; R358-R362 WeakPolarHBondContact O-CG 3.26Å; R358-R362 PolarHBondContact O-N 3.43Å; R358-R362 VanDerWaalsContact O-N 3.15Å
359	E	88.3	Confident	89.7	Confident	94 Å²	94	97.7 Å²	97.7	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-69.6	-37.1	171.2	-74.1	-54.2	135.1	0	0	112.3	V355 L356 N357 R362 S363	V355-E359 PolarHBondContact O-N 2.69Å; L356-E359 PolarHBondContact O-N 3.44Å; N357-E359 PolarHBondContact O-N 3.33Å; E359-R362 PolarHBondContact O-N 2.86Å; E359-R362 IonicContact OE1-CZ 2.67Å; E359-R362 IonicContact OE1-NE 3.8Å; E359-R362 IonicContact OE1-NH1 2.64Å; E359-R362 PolarHBondContact OE1-NH1 3.23Å; E359-S363 WeakPolarHBondContact O-CB 3.43Å; E359-S363 PolarHBondContact O-N 3.26Å
360	M	89.9	Confident	89.8	Confident	126 Å²	126	99.2 Å²	99.2	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-42.7	174.6	-173.2	61.2	179.4	0	0	111.7	L356 N357 S363 C364	L356-M360 WeakPolarHBondContact O-CB 3.42Å; L356-M360 PolarHBondContact O-N 3.23Å; N357-M360 WeakPolarHBondContact O-CB 3.31Å; N357-M360 PolarHBondContact O-N 2.78Å; M360-S363 PolarHBondContact O-N 3.04Å; M360-C364 VanDerWaalsContact O-CB 3.31Å; M360-C364 WeakPolarHBondContact O-CB 3.45Å; M360-C364 PolarHBondContact O-N 3.24Å
361	E	89.8	Confident	89.9	Confident	112 Å²	112	97.2 Å²	97.2	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-42.2	174	-73.4	170	-170.7	0	0	112.5	N357 C364 T365	N357-E361 PolarHBondContact ND2-OE1 3.11Å; N357-E361 WeakPolarHBondContact O-CG 3.46Å; N357-E361 PolarHBondContact O-N 3.32Å; E361-C364 PolarHBondContact O-N 3.03Å; E361-T365 WeakPolarHBondContact O-CG2 3.48Å; E361-T365 PolarHBondContact O-N 3.47Å; E361-T365 PolarHBondContact O-OG1 3.12Å
362	R	90.1	Very high	90	Very high	118 Å²	118	98.4 Å²	98.4	45%	0.445	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-43.4	173.4	-73.8	167.2	173.7	-179.9	-4.1	112.2	R358 E359 T365 T366	R358-R362 WeakPolarHBondContact O-CD 3.46Å; R358-R362 VanDerWaalsContact O-CG 3.27Å; R358-R362 WeakPolarHBondContact O-CG 3.26Å; R358-R362 PolarHBondContact O-N 3.43Å; R358-R362 VanDerWaalsContact O-N 3.15Å; E359-R362 PolarHBondContact O-N 2.86Å; E359-R362 IonicContact OE1-CZ 2.67Å; E359-R362 IonicContact OE1-NE 3.8Å; E359-R362 IonicContact OE1-NH1 2.64Å; E359-R362 PolarHBondContact OE1-NH1 3.23Å; R362-T365 PolarHBondContact O-OG1 3.35Å; R362-T366 WeakPolarHBondContact O-CB 3.39Å; R362-T366 PolarHBondContact O-N 2.79Å; R362-T366 VanDerWaalsContact O-N 3.12Å; R362-T366 PolarHBondContact O-OG1 3.09Å
363	S	84.1	Confident	90	Very high	67 Å²	67	98.6 Å²	98.6	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-43.4	176.6	-170.5	0	0	0	0	111.7	E359 M360 T366 M367	E359-S363 WeakPolarHBondContact O-CB 3.43Å; E359-S363 PolarHBondContact O-N 3.26Å; M360-S363 PolarHBondContact O-N 3.04Å; S363-T366 PolarHBondContact O-N 3.49Å; S363-M367 WeakPolarHBondContact O-CB 3.36Å; S363-M367 PolarHBondContact O-N 3.4Å
364	C	90.6	Very high	90.2	Very high	66 Å²	66	99.6 Å²	99.6	45%	0.446	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-51.4	177.8	-171.3	0	0	0	0	112.1	M360 E361 T366 M367 E368	M360-C364 VanDerWaalsContact O-CB 3.31Å; M360-C364 WeakPolarHBondContact O-CB 3.45Å; M360-C364 PolarHBondContact O-N 3.24Å; E361-C364 PolarHBondContact O-N 3.03Å; C364-T366 VanDerWaalsContact C-N 3.28Å; C364-T366 PolarHBondContact O-N 2.81Å; C364-M367 WeakPolarHBondContact O-CB 3.3Å; C364-M367 PolarHBondContact O-N 3.04Å; C364-M367 VanDerWaalsContact O-N 3.12Å; C364-E368 PolarHBondContact O-N 3.47Å
365	T	90.7	Very high	90.4	Very high	85 Å²	85	102.2 Å²	102.2	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-36.5	177.5	47.6	0	0	0	0	112.9	E361 R362 A369	E361-T365 WeakPolarHBondContact O-CG2 3.48Å; E361-T365 PolarHBondContact O-N 3.47Å; E361-T365 PolarHBondContact O-OG1 3.12Å; R362-T365 PolarHBondContact O-OG1 3.35Å; T365-A369 PolarHBondContact O-N 3.03Å
366	T	89.5	Confident	90.5	Very high	74 Å²	74	102.2 Å²	102.2	45%	0.454	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-46	173.1	-57.3	0	0	0	0	111.5	R362 S363 C364 E368 A369 Y370	R362-T366 WeakPolarHBondContact O-CB 3.39Å; R362-T366 PolarHBondContact O-N 2.79Å; R362-T366 VanDerWaalsContact O-N 3.12Å; R362-T366 PolarHBondContact O-OG1 3.09Å; S363-T366 PolarHBondContact O-N 3.49Å; C364-T366 VanDerWaalsContact C-N 3.28Å; C364-T366 PolarHBondContact O-N 2.81Å; T366-E368 VanDerWaalsContact C-N 3.35Å; T366-E368 PolarHBondContact O-N 2.83Å; T366-A369 WeakPolarHBondContact O-CB 3.23Å; T366-A369 PolarHBondContact O-N 3.26Å; T366-A369 VanDerWaalsContact O-N 3.14Å; T366-Y370 HydrophobicContact CG2-CD2 3.9Å; T366-Y370 HydrophobicContact CG2-CE2 3.74Å; T366-Y370 WeakPolarHBondContact O-CD2 3.3Å; T366-Y370 PolarHBondContact O-N 2.84Å
367	M	90.7	Very high	90.6	Very high	110 Å²	110	99.8 Å²	99.8	54%	0.542	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-41.5	177.3	-172.5	66.8	73	0	0	112	S363 C364 A369 Y370 N371	S363-M367 WeakPolarHBondContact O-CB 3.36Å; S363-M367 PolarHBondContact O-N 3.4Å; C364-M367 WeakPolarHBondContact O-CB 3.3Å; C364-M367 PolarHBondContact O-N 3.04Å; C364-M367 VanDerWaalsContact O-N 3.12Å; M367-A369 VanDerWaalsContact C-N 3.33Å; M367-A369 PolarHBondContact O-N 2.79Å; M367-Y370 PolarHBondContact O-N 2.77Å; M367-N371 WeakPolarHBondContact O-CB 3.5Å; M367-N371 PolarHBondContact O-N 2.86Å; M367-N371 PolarHBondContact O-ND2 3.34Å
368	E	90.6	Very high	90.8	Very high	88 Å²	88	101 Å²	101	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-38.3	174.1	-69.6	-170.4	176.9	0	0	113	C364 T366 N371 R372	C364-E368 PolarHBondContact O-N 3.47Å; T366-E368 VanDerWaalsContact C-N 3.35Å; T366-E368 PolarHBondContact O-N 2.83Å; E368-N371 PolarHBondContact O-N 3.09Å; E368-R372 WeakPolarHBondContact O-CB 3.48Å; E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 2.91Å; E368-R372 PolarHBondContact O-NE 3.48Å; E368-R372 IonicContact OE2-CZ 3.84Å; E368-R372 IonicContact OE2-NH1 3.06Å; E368-R372 PolarHBondContact OE2-NH1 3.47Å; E368-R372 IonicContact OE2-NH2 2.84Å; E368-R372 PolarHBondContact OE2-NH2 3.35Å
369	A	91.1	Very high	91.1	Very high	50 Å²	50	97.9 Å²	97.9	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-44.4	176.9	0	0	0	0	0	111.1	T365 T366 M367 R372 Q373	T365-A369 PolarHBondContact O-N 3.03Å; T366-A369 WeakPolarHBondContact O-CB 3.23Å; T366-A369 PolarHBondContact O-N 3.26Å; T366-A369 VanDerWaalsContact O-N 3.14Å; M367-A369 VanDerWaalsContact C-N 3.33Å; M367-A369 PolarHBondContact O-N 2.79Å; A369-R372 PolarHBondContact O-N 3.44Å; A369-Q373 WeakPolarHBondContact O-CB 3.3Å; A369-Q373 PolarHBondContact O-N 2.62Å
370	Y	89.9	Confident	91.4	Very high	165 Å²	165	98.3 Å²	98.3	65%	0.647	48%	0.482	S	S	*	.	H	α-helix	trans	-61	-43.1	172.2	-82.7	-71	0	0	0	112.5	T366 M367 R372 Q373 H374	T366-Y370 HydrophobicContact CG2-CD2 3.9Å; T366-Y370 HydrophobicContact CG2-CE2 3.74Å; T366-Y370 WeakPolarHBondContact O-CD2 3.3Å; T366-Y370 PolarHBondContact O-N 2.84Å; M367-Y370 PolarHBondContact O-N 2.77Å; Y370-R372 PolarHBondContact O-N 2.84Å; Y370-Q373 PolarHBondContact O-N 3.06Å; Y370-H374 WeakPolarHBondContact O-CB 3.37Å; Y370-H374 PolarHBondContact O-N 2.87Å
371	N	91.3	Very high	91.7	Very high	81 Å²	81	97.9 Å²	97.9	43%	0.433	48%	0.48	S	S	.	.	H	α-helix	trans	-65.2	-35.7	176.8	-77.8	-35.8	0	0	0	112.9	M367 E368 R375	M367-N371 WeakPolarHBondContact O-CB 3.5Å; M367-N371 PolarHBondContact O-N 2.86Å; M367-N371 PolarHBondContact O-ND2 3.34Å; E368-N371 PolarHBondContact O-N 3.09Å; N371-R375 WeakPolarHBondContact O-CG 3.35Å; N371-R375 PolarHBondContact O-N 2.92Å
372	R	92.2	Very high	92	Very high	120 Å²	120	98.4 Å²	98.4	45%	0.453	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-46	171.1	-78.2	-178.9	-81.1	-102.4	-0.7	110.8	E368 A369 Y370 R375 L376	E368-R372 WeakPolarHBondContact O-CB 3.48Å; E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 2.91Å; E368-R372 PolarHBondContact O-NE 3.48Å; E368-R372 IonicContact OE2-CZ 3.84Å; E368-R372 IonicContact OE2-NH1 3.06Å; E368-R372 PolarHBondContact OE2-NH1 3.47Å; E368-R372 IonicContact OE2-NH2 2.84Å; E368-R372 PolarHBondContact OE2-NH2 3.35Å; A369-R372 PolarHBondContact O-N 3.44Å; Y370-R372 PolarHBondContact O-N 2.84Å; R372-R375 PolarHBondContact O-N 3.18Å; R372-L376 WeakPolarHBondContact O-CG 3.35Å; R372-L376 PolarHBondContact O-N 3.41Å
373	Q	91.7	Very high	92.3	Very high	87 Å²	87	98.5 Å²	98.5	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-45	179	-174.5	58.5	42.3	0	0	112.4	A369 Y370 R375 L376 D377	A369-Q373 WeakPolarHBondContact O-CB 3.3Å; A369-Q373 PolarHBondContact O-N 2.62Å; Y370-Q373 PolarHBondContact O-N 3.06Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.89Å; Q373-L376 PolarHBondContact O-N 2.9Å; Q373-L376 VanDerWaalsContact O-N 3.13Å; Q373-D377 VanDerWaalsContact NE2-CG 3.26Å; Q373-D377 PolarHBondContact NE2-OD1 3.42Å; Q373-D377 VanDerWaalsContact NE2-OD1 3.13Å; Q373-D377 PolarHBondContact NE2-OD2 3.34Å; Q373-D377 PolarHBondContact O-N 3.34Å
374	H	93	Very high	92.9	Very high	116 Å²	116	100.6 Å²	100.6	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-56.4	-43.6	177.5	-178.7	-75.3	0	0	0	112	Y370 D377 Q378	Y370-H374 WeakPolarHBondContact O-CB 3.37Å; Y370-H374 PolarHBondContact O-N 2.87Å; H374-D377 PolarHBondContact O-N 3.24Å; H374-Q378 PolarHBondContact CE1-OE1 2.94Å; H374-Q378 VanDerWaalsContact O-CB 3.3Å; H374-Q378 WeakPolarHBondContact O-CB 3.5Å; H374-Q378 PolarHBondContact O-N 3.19Å
375	R	94.1	Very high	93.2	Very high	142 Å²	142	101 Å²	101	54%	0.536	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-48	175.3	-73.5	-173.5	-67.8	-110.8	4.6	111.8	N371 R372 Q373 D377 Q378 D379	N371-R375 WeakPolarHBondContact O-CG 3.35Å; N371-R375 PolarHBondContact O-N 2.92Å; R372-R375 PolarHBondContact O-N 3.18Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.89Å; R375-D377 VanDerWaalsContact C-N 3.28Å; R375-D377 PolarHBondContact O-N 2.83Å; R375-Q378 WeakPolarHBondContact O-CB 3.45Å; R375-Q378 PolarHBondContact O-N 3.17Å; R375-D379 VanDerWaalsContact O-CG 3.26Å; R375-D379 PolarHBondContact O-N 3.36Å
376	L	94.7	Very high	93.5	Very high	94 Å²	94	99.9 Å²	99.9	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-35	178	-66.5	173.2	0	0	0	113	R372 Q373 K380	R372-L376 WeakPolarHBondContact O-CG 3.35Å; R372-L376 PolarHBondContact O-N 3.41Å; Q373-L376 PolarHBondContact O-N 2.9Å; Q373-L376 VanDerWaalsContact O-N 3.13Å; L376-K380 VanDerWaalsContact O-CG 3.24Å; L376-K380 WeakPolarHBondContact O-CG 3.28Å; L376-K380 PolarHBondContact O-N 2.83Å; L376-K380 VanDerWaalsContact O-N 3.17Å
377	D	90.8	Very high	93.8	Very high	58 Å²	58	101.6 Å²	101.6	31%	0.31	49%	0.492	S	S	.	.	H	α-helix	trans	-78.1	-32.5	177.5	-67	-30.9	0	0	0	112.1	Q373 H374 R375 K380 I381	Q373-D377 VanDerWaalsContact NE2-CG 3.26Å; Q373-D377 PolarHBondContact NE2-OD1 3.42Å; Q373-D377 VanDerWaalsContact NE2-OD1 3.13Å; Q373-D377 PolarHBondContact NE2-OD2 3.34Å; Q373-D377 PolarHBondContact O-N 3.34Å; H374-D377 PolarHBondContact O-N 3.24Å; R375-D377 VanDerWaalsContact C-N 3.28Å; R375-D377 PolarHBondContact O-N 2.83Å; D377-K380 PolarHBondContact O-N 3.28Å; D377-K380 IonicContact OD1-NZ 3.9Å; D377-K380 PolarHBondContact OD1-NZ 3.16Å; D377-I381 WeakPolarHBondContact O-CB 3.45Å; D377-I381 WeakPolarHBondContact O-CD1 3.47Å; D377-I381 WeakPolarHBondContact O-CG1 3.37Å; D377-I381 PolarHBondContact O-N 3.42Å
378	Q	94.1	Very high	94.2	Very high	114 Å²	114	100 Å²	100	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-44.6	170.9	-171.5	168.7	-0.2	0	0	111.6	H374 R375 K380 I381 E382	H374-Q378 PolarHBondContact CE1-OE1 2.94Å; H374-Q378 VanDerWaalsContact O-CB 3.3Å; H374-Q378 WeakPolarHBondContact O-CB 3.5Å; H374-Q378 PolarHBondContact O-N 3.19Å; R375-Q378 WeakPolarHBondContact O-CB 3.45Å; R375-Q378 PolarHBondContact O-N 3.17Å; Q378-K380 PolarHBondContact O-N 3Å; Q378-I381 PolarHBondContact O-N 2.85Å; Q378-E382 PolarHBondContact O-N 2.95Å
379	D	95.7	Very high	94.5	Very high	88 Å²	88	101.6 Å²	101.6	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-60.4	-43.6	174.2	-63.9	-20.1	0	0	0	111.5	R375 I381 E382 I383	R375-D379 VanDerWaalsContact O-CG 3.26Å; R375-D379 PolarHBondContact O-N 3.36Å; D379-I381 PolarHBondContact O-N 3.22Å; D379-E382 PolarHBondContact O-N 3.28Å; D379-I383 VanDerWaalsContact O-CG1 3.31Å; D379-I383 WeakPolarHBondContact O-CG1 3.24Å; D379-I383 PolarHBondContact O-N 3.01Å
380	K	95.9	Very high	94.8	Very high	104 Å²	104	103.9 Å²	103.9	45%	0.452	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.5	-72.2	168	-154.4	161	0	112.1	L376 D377 Q378 E382 I383 L384	L376-K380 VanDerWaalsContact O-CG 3.24Å; L376-K380 WeakPolarHBondContact O-CG 3.28Å; L376-K380 PolarHBondContact O-N 2.83Å; L376-K380 VanDerWaalsContact O-N 3.17Å; D377-K380 PolarHBondContact O-N 3.28Å; D377-K380 IonicContact OD1-NZ 3.9Å; D377-K380 PolarHBondContact OD1-NZ 3.16Å; Q378-K380 PolarHBondContact O-N 3Å; K380-E382 VanDerWaalsContact C-N 3.32Å; K380-E382 PolarHBondContact O-N 3.33Å; K380-I383 PolarHBondContact O-N 3.26Å; K380-L384 WeakPolarHBondContact O-CB 3.47Å; K380-L384 WeakPolarHBondContact O-CG 3.39Å; K380-L384 PolarHBondContact O-N 2.99Å
381	I	95.2	Very high	95	Very high	116 Å²	116	100.7 Å²	100.7	60%	0.595	49%	0.486	S	S	*	.	H	α-helix	trans	-61.8	-41.5	177.9	-73.5	163.1	0	0	0	110.2	D377 Q378 D379 L384 S385	D377-I381 WeakPolarHBondContact O-CB 3.45Å; D377-I381 WeakPolarHBondContact O-CD1 3.47Å; D377-I381 WeakPolarHBondContact O-CG1 3.37Å; D377-I381 PolarHBondContact O-N 3.42Å; Q378-I381 PolarHBondContact O-N 2.85Å; D379-I381 PolarHBondContact O-N 3.22Å; I381-L384 PolarHBondContact O-N 3.46Å; I381-S385 WeakPolarHBondContact O-CB 3.36Å; I381-S385 PolarHBondContact O-N 2.86Å
382	E	96.3	Very high	95.3	Very high	124 Å²	124	102.2 Å²	102.2	58%	0.579	49%	0.491	S	S	*	.	H	α-helix	trans	-64.9	-44.5	175.7	-176.8	171.5	-179.1	0	0	112.2	Q378 D379 K380 L384 S385 N386	Q378-E382 PolarHBondContact O-N 2.95Å; D379-E382 PolarHBondContact O-N 3.28Å; K380-E382 VanDerWaalsContact C-N 3.32Å; K380-E382 PolarHBondContact O-N 3.33Å; E382-L384 PolarHBondContact O-N 2.82Å; E382-S385 PolarHBondContact O-N 3.25Å; E382-N386 WeakPolarHBondContact O-CB 3.38Å; E382-N386 PolarHBondContact O-N 3.18Å; E382-N386 PolarHBondContact O-ND2 3.17Å
383	I	97.1	Very high	95.5	Very high	119 Å²	119	103.6 Å²	103.6	61%	0.61	50%	0.496	S	S	*	.	H	α-helix	trans	-60.7	-45.3	176.2	-67.8	164.7	0	0	0	110.8	D379 K380 N386 K387	D379-I383 VanDerWaalsContact O-CG1 3.31Å; D379-I383 WeakPolarHBondContact O-CG1 3.24Å; D379-I383 PolarHBondContact O-N 3.01Å; K380-I383 PolarHBondContact O-N 3.26Å; I383-N386 PolarHBondContact O-N 2.75Å; I383-K387 WeakPolarHBondContact O-CB 3.23Å; I383-K387 PolarHBondContact O-N 3.37Å
384	L	96.4	Very high	95.7	Very high	111 Å²	111	102.6 Å²	102.6	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-44.4	177.8	-77.1	164.2	0	0	0	111.9	K380 I381 E382 N386 K387 V388	K380-L384 WeakPolarHBondContact O-CB 3.47Å; K380-L384 WeakPolarHBondContact O-CG 3.39Å; K380-L384 PolarHBondContact O-N 2.99Å; I381-L384 PolarHBondContact O-N 3.46Å; E382-L384 PolarHBondContact O-N 2.82Å; L384-N386 PolarHBondContact O-N 3Å; L384-K387 CarbonylContact O-C 3.35Å; L384-K387 WeakPolarHBondContact O-CA 3.38Å; L384-K387 WeakPolarHBondContact O-CB 3.36Å; L384-K387 PolarHBondContact O-N 2.99Å; L384-V388 WeakPolarHBondContact O-CG2 3.5Å; L384-V388 PolarHBondContact O-N 3.36Å
385	S	96.6	Very high	95.8	Very high	75 Å²	75	101 Å²	101	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-59.3	-45.5	176	179.8	0	0	0	0	111.6	I381 E382 K387 V388 R389	I381-S385 WeakPolarHBondContact O-CB 3.36Å; I381-S385 PolarHBondContact O-N 2.86Å; E382-S385 PolarHBondContact O-N 3.25Å; S385-K387 VanDerWaalsContact C-N 3.28Å; S385-K387 PolarHBondContact O-N 3.03Å; S385-V388 PolarHBondContact O-N 2.92Å; S385-R389 WeakPolarHBondContact O-CB 3.44Å; S385-R389 PolarHBondContact O-N 2.95Å
386	N	96.8	Very high	95.9	Very high	62 Å²	62	97.5 Å²	97.5	33%	0.332	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-36.2	172.9	-82	-55.1	0	0	0	112.5	E382 I383 L384 R389 Q390	E382-N386 WeakPolarHBondContact O-CB 3.38Å; E382-N386 PolarHBondContact O-N 3.18Å; E382-N386 PolarHBondContact O-ND2 3.17Å; I383-N386 PolarHBondContact O-N 2.75Å; L384-N386 PolarHBondContact O-N 3Å; N386-R389 PolarHBondContact OD1-NH2 2.59Å; N386-Q390 PolarHBondContact O-N 2.87Å
387	K	96.8	Very high	95.8	Very high	109 Å²	109	98.6 Å²	98.6	47%	0.474	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-41.6	177.3	-163.5	67.4	-177.9	173.2	0	112.8	I383 L384 S385 Q390 L391	I383-K387 WeakPolarHBondContact O-CB 3.23Å; I383-K387 PolarHBondContact O-N 3.37Å; L384-K387 CarbonylContact O-C 3.35Å; L384-K387 WeakPolarHBondContact O-CA 3.38Å; L384-K387 WeakPolarHBondContact O-CB 3.36Å; L384-K387 PolarHBondContact O-N 2.99Å; S385-K387 VanDerWaalsContact C-N 3.28Å; S385-K387 PolarHBondContact O-N 3.03Å; K387-Q390 WeakPolarHBondContact O-CB 3.47Å; K387-Q390 PolarHBondContact O-N 2.85Å; K387-L391 WeakPolarHBondContact O-CG 3.43Å; K387-L391 PolarHBondContact O-N 2.93Å
388	V	97.7	Very high	96	Very high	76 Å²	76	103.7 Å²	103.7	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-57.6	-51.1	172.9	170.5	0	0	0	0	109.7	L384 S385 Q390 L391 E392	L384-V388 WeakPolarHBondContact O-CG2 3.5Å; L384-V388 PolarHBondContact O-N 3.36Å; S385-V388 PolarHBondContact O-N 2.92Å; V388-Q390 PolarHBondContact O-N 2.63Å; V388-L391 WeakPolarHBondContact O-CA 3.33Å; V388-L391 WeakPolarHBondContact O-CB 3.49Å; V388-L391 PolarHBondContact O-N 3.17Å; V388-E392 HydrophobicContact CG1-CG 4.28Å; V388-E392 WeakPolarHBondContact O-CG 3.15Å; V388-E392 PolarHBondContact O-N 3.25Å
389	R	97.2	Very high	96	Very high	122 Å²	122	102.2 Å²	102.2	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-31.2	177.2	-172.7	171.7	63.4	162.2	-3.2	113.8	S385 N386 E392 R393	S385-R389 WeakPolarHBondContact O-CB 3.44Å; S385-R389 PolarHBondContact O-N 2.95Å; N386-R389 PolarHBondContact OD1-NH2 2.59Å; R389-E392 WeakPolarHBondContact CA-OE2 3.46Å; R389-R393 WeakPolarHBondContact O-CD 3.48Å; R389-R393 VanDerWaalsContact O-CG 3.3Å; R389-R393 WeakPolarHBondContact O-CG 3.46Å; R389-R393 PolarHBondContact O-N 3.04Å
390	Q	97	Very high	95.8	Very high	99 Å²	99	103.7 Å²	103.7	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-70.6	-42.7	172.2	-171.4	-173.6	24.1	0	0	111.9	N386 K387 V388 T394	N386-Q390 PolarHBondContact O-N 2.87Å; K387-Q390 WeakPolarHBondContact O-CB 3.47Å; K387-Q390 PolarHBondContact O-N 2.85Å; V388-Q390 PolarHBondContact O-N 2.63Å; Q390-T394 PolarHBondContact O-N 2.79Å; Q390-T394 VanDerWaalsContact O-N 3.14Å; Q390-T394 PolarHBondContact O-OG1 2.8Å
391	L	95.6	Very high	95.7	Very high	98 Å²	98	101.4 Å²	101.4	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-44.6	178.8	-70.2	170.7	0	0	0	111.4	K387 V388 R393 T394 V395	K387-L391 WeakPolarHBondContact O-CG 3.43Å; K387-L391 PolarHBondContact O-N 2.93Å; V388-L391 WeakPolarHBondContact O-CA 3.33Å; V388-L391 WeakPolarHBondContact O-CB 3.49Å; V388-L391 PolarHBondContact O-N 3.17Å; L391-R393 PolarHBondContact O-N 2.89Å; L391-T394 CarbonylContact O-C 3.54Å; L391-T394 WeakPolarHBondContact O-CA 3.41Å; L391-T394 WeakPolarHBondContact O-CB 3.33Å; L391-T394 PolarHBondContact O-N 2.84Å; L391-V395 WeakPolarHBondContact O-CG2 3.27Å; L391-V395 PolarHBondContact O-N 3.25Å
392	E	96.4	Very high	95.6	Very high	112 Å²	112	100.1 Å²	100.1	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-54.1	-51.4	176.1	-71	169.9	158.4	0	0	111.8	V388 R389 T394 V395 S396	V388-E392 HydrophobicContact CG1-CG 4.28Å; V388-E392 WeakPolarHBondContact O-CG 3.15Å; V388-E392 PolarHBondContact O-N 3.25Å; R389-E392 WeakPolarHBondContact CA-OE2 3.46Å; E392-T394 PolarHBondContact O-N 2.82Å; E392-V395 PolarHBondContact O-N 3.44Å; E392-V395 VanDerWaalsContact O-N 3.17Å; E392-S396 PolarHBondContact O-N 3.36Å; E392-S396 PolarHBondContact O-OG 2.87Å
393	R	96.3	Very high	95.5	Very high	150 Å²	150	98.4 Å²	98.4	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-57.5	-38	174.7	-68.6	169.6	-175.1	170.6	0.5	112.5	R389 L391 L397	R389-R393 WeakPolarHBondContact O-CD 3.48Å; R389-R393 VanDerWaalsContact O-CG 3.3Å; R389-R393 WeakPolarHBondContact O-CG 3.46Å; R389-R393 PolarHBondContact O-N 3.04Å; L391-R393 PolarHBondContact O-N 2.89Å; R393-L397 WeakPolarHBondContact O-CG 3.4Å; R393-L397 PolarHBondContact O-N 2.97Å
394	T	95.9	Very high	95.2	Very high	66 Å²	66	98.1 Å²	98.1	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-69.1	-41.3	179.5	-54.4	0	0	0	0	110.8	Q390 L391 E392 L397 R398	Q390-T394 PolarHBondContact O-N 2.79Å; Q390-T394 VanDerWaalsContact O-N 3.14Å; Q390-T394 PolarHBondContact O-OG1 2.8Å; L391-T394 CarbonylContact O-C 3.54Å; L391-T394 WeakPolarHBondContact O-CA 3.41Å; L391-T394 WeakPolarHBondContact O-CB 3.33Å; L391-T394 PolarHBondContact O-N 2.84Å; E392-T394 PolarHBondContact O-N 2.82Å; T394-L397 PolarHBondContact O-N 2.84Å; T394-R398 WeakPolarHBondContact O-CG 3.39Å; T394-R398 PolarHBondContact O-N 2.97Å; T394-R398 VanDerWaalsContact O-N 3.11Å
395	V	96.1	Very high	94.9	Very high	82 Å²	82	98.3 Å²	98.3	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-50.9	174.5	172.1	0	0	0	0	110.1	L391 E392 L397 R398 D399	L391-V395 WeakPolarHBondContact O-CG2 3.27Å; L391-V395 PolarHBondContact O-N 3.25Å; E392-V395 PolarHBondContact O-N 3.44Å; E392-V395 VanDerWaalsContact O-N 3.17Å; V395-L397 VanDerWaalsContact C-N 3.28Å; V395-L397 PolarHBondContact O-N 3.44Å; V395-R398 CarbonylContact O-C 3.57Å; V395-R398 WeakPolarHBondContact O-CA 3.45Å; V395-R398 WeakPolarHBondContact O-CB 3.42Å; V395-R398 PolarHBondContact O-N 3.13Å; V395-D399 PolarHBondContact O-N 3.49Å
396	S	95	Very high	94.5	Very high	69 Å²	69	99.2 Å²	99.2	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-58.1	-36.6	179.4	-52.4	0	0	0	0	113.7	E392 L400	E392-S396 PolarHBondContact O-N 3.36Å; E392-S396 PolarHBondContact O-OG 2.87Å; S396-L400 WeakPolarHBondContact O-CG 3.25Å; S396-L400 PolarHBondContact O-N 3.44Å
397	L	94.1	Very high	93.9	Very high	117 Å²	117	97.5 Å²	97.5	61%	0.613	49%	0.491	S	S	*	.	H	α-helix	trans	-69.6	-31.8	174.2	-70.9	171.6	0	0	0	112.8	R393 T394 V395 S401	R393-L397 WeakPolarHBondContact O-CG 3.4Å; R393-L397 PolarHBondContact O-N 2.97Å; T394-L397 PolarHBondContact O-N 2.84Å; V395-L397 VanDerWaalsContact C-N 3.28Å; V395-L397 PolarHBondContact O-N 3.44Å; L397-S401 PolarHBondContact O-N 2.93Å; L397-S401 PolarHBondContact O-OG 3.06Å
398	R	93.3	Very high	93.4	Very high	165 Å²	165	97.7 Å²	97.7	62%	0.623	49%	0.492	S	S	*	.	H	α-helix	trans	-73.4	-38.3	174.3	-67.3	-61.7	-179	-170.3	-0.3	111.8	T394 V395 L400 S401 I402	T394-R398 WeakPolarHBondContact O-CG 3.39Å; T394-R398 PolarHBondContact O-N 2.97Å; T394-R398 VanDerWaalsContact O-N 3.11Å; V395-R398 CarbonylContact O-C 3.57Å; V395-R398 WeakPolarHBondContact O-CA 3.45Å; V395-R398 WeakPolarHBondContact O-CB 3.42Å; V395-R398 PolarHBondContact O-N 3.13Å; R398-L400 VanDerWaalsContact C-N 3.34Å; R398-L400 PolarHBondContact O-N 3.16Å; R398-S401 CarbonylContact O-C 3.53Å; R398-S401 WeakPolarHBondContact O-CA 3.24Å; R398-S401 WeakPolarHBondContact O-CB 3.48Å; R398-S401 PolarHBondContact O-N 3.42Å; R398-S401 VanDerWaalsContact O-N 3.08Å; R398-I402 WeakPolarHBondContact O-CG1 3.33Å; R398-I402 PolarHBondContact O-N 3.29Å
399	D	94	Very high	92.8	Very high	83 Å²	83	99.5 Å²	99.5	44%	0.444	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-44.4	175.9	-61.7	-29.7	0	0	0	111.3	V395 S401 I402 V403	V395-D399 PolarHBondContact O-N 3.49Å; D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 PolarHBondContact O-N 2.9Å; D399-I402 PolarHBondContact O-N 3.17Å; D399-V403 WeakPolarHBondContact O-CG2 3.36Å; D399-V403 PolarHBondContact O-N 3.37Å
400	L	92.6	Very high	92.2	Very high	118 Å²	118	100.8 Å²	100.8	62%	0.618	50%	0.502	S	S	*	.	H	α-helix	trans	-58.9	-42	172.6	-68.4	172.2	0	0	0	112.2	S396 R398 I402 V403 E404	S396-L400 WeakPolarHBondContact O-CG 3.25Å; S396-L400 PolarHBondContact O-N 3.44Å; R398-L400 VanDerWaalsContact C-N 3.34Å; R398-L400 PolarHBondContact O-N 3.16Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 2.91Å; L400-V403 PolarHBondContact O-N 2.84Å; L400-E404 PolarHBondContact O-N 2.99Å
401	S	94.3	Very high	91.5	Very high	56 Å²	56	101.8 Å²	101.8	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-34.9	177.2	-53.3	0	0	0	0	112.4	L397 R398 D399 M405	L397-S401 PolarHBondContact O-N 2.93Å; L397-S401 PolarHBondContact O-OG 3.06Å; R398-S401 CarbonylContact O-C 3.53Å; R398-S401 WeakPolarHBondContact O-CA 3.24Å; R398-S401 WeakPolarHBondContact O-CB 3.48Å; R398-S401 PolarHBondContact O-N 3.42Å; R398-S401 VanDerWaalsContact O-N 3.08Å; D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 PolarHBondContact O-N 2.9Å; S401-M405 WeakPolarHBondContact O-CB 3.49Å; S401-M405 PolarHBondContact O-N 3.39Å
402	I	92.5	Very high	91	Very high	89 Å²	89	103.3 Å²	103.3	46%	0.456	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-48.8	176.3	-70.3	163.8	0	0	0	109.8	R398 D399 L400 E404 M405 E406	R398-I402 WeakPolarHBondContact O-CG1 3.33Å; R398-I402 PolarHBondContact O-N 3.29Å; D399-I402 PolarHBondContact O-N 3.17Å; L400-I402 VanDerWaalsContact C-N 3.32Å; L400-I402 PolarHBondContact O-N 2.91Å; I402-E404 VanDerWaalsContact C-N 3.29Å; I402-E404 PolarHBondContact O-N 3.36Å; I402-M405 CarbonylContact O-C 3.59Å; I402-M405 PolarHBondContact O-N 2.83Å; I402-M405 VanDerWaalsContact O-N 3.09Å; I402-E406 HydrophobicContact CG2-CG 4.32Å; I402-E406 WeakPolarHBondContact O-CG 3.42Å; I402-E406 PolarHBondContact O-N 2.91Å
403	V	92.9	Very high	90.6	Very high	89 Å²	89	102.8 Å²	102.8	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-59	-40.5	178	173.1	0	0	0	0	111.6	D399 L400 E406 G407	D399-V403 WeakPolarHBondContact O-CG2 3.36Å; D399-V403 PolarHBondContact O-N 3.37Å; L400-V403 PolarHBondContact O-N 2.84Å; V403-E406 PolarHBondContact O-N 2.83Å; V403-G407 PolarHBondContact O-N 2.87Å
404	E	91.3	Very high	90.2	Very high	113 Å²	113	97.2 Å²	97.2	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-43.8	174.4	-165.3	-163.9	145.5	0	0	112	L400 I402 G407 K408	L400-E404 PolarHBondContact O-N 2.99Å; I402-E404 VanDerWaalsContact C-N 3.29Å; I402-E404 PolarHBondContact O-N 3.36Å; E404-G407 PolarHBondContact O-N 2.96Å; E404-K408 PolarHBondContact O-N 2.97Å; E404-K408 WeakPolarHBondContact OE1-CE 3.28Å; E404-K408 IonicContact OE1-NZ 2.69Å; E404-K408 PolarHBondContact OE1-NZ 3.43Å
405	M	90.7	Very high	89.9	Confident	114 Å²	114	95 Å²	95	56%	0.562	50%	0.495	S	S	*	.	H	α-helix	trans	-65.7	-40.9	177.4	-170.9	66	77.4	0	0	111.9	S401 I402 G407 K408 M409	S401-M405 WeakPolarHBondContact O-CB 3.49Å; S401-M405 PolarHBondContact O-N 3.39Å; I402-M405 CarbonylContact O-C 3.59Å; I402-M405 PolarHBondContact O-N 2.83Å; I402-M405 VanDerWaalsContact O-N 3.09Å; M405-G407 VanDerWaalsContact C-N 3.27Å; M405-G407 PolarHBondContact O-N 2.96Å; M405-K408 PolarHBondContact O-N 2.96Å; M405-M409 HydrophobicContact CG-CG 4.44Å; M405-M409 HydrophobicContact CG-SD 4.42Å; M405-M409 WeakPolarHBondContact O-CB 3.35Å; M405-M409 WeakPolarHBondContact O-CG 3.5Å; M405-M409 PolarHBondContact O-N 2.66Å
406	E	88.9	Confident	90	Very high	95 Å²	95	93 Å²	93	44%	0.444	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-32	173.5	-72.7	-177.6	171.9	0	0	112.6	I402 V403 R410	I402-E406 HydrophobicContact CG2-CG 4.32Å; I402-E406 WeakPolarHBondContact O-CG 3.42Å; I402-E406 PolarHBondContact O-N 2.91Å; V403-E406 PolarHBondContact O-N 2.83Å; E406-R410 WeakPolarHBondContact O-CB 3.37Å; E406-R410 WeakPolarHBondContact O-CG 3.46Å; E406-R410 PolarHBondContact O-N 3.3Å; E406-R410 VanDerWaalsContact O-N 3.11Å; E406-R410 PolarHBondContact O-NE 2.91Å; E406-R410 IonicContact OE2-NH2 2.75Å
407	G	83.3	Confident	90.1	Very high	25 Å²	25	95 Å²	95	26%	0.258	48%	0.481	S	S	.	.	H	α-helix	trans	-61.1	-56.6	168.8	0	0	0	0	0	111.1	V403 E404 M405 M409 R410 E411	V403-G407 PolarHBondContact O-N 2.87Å; E404-G407 PolarHBondContact O-N 2.96Å; M405-G407 VanDerWaalsContact C-N 3.27Å; M405-G407 PolarHBondContact O-N 2.96Å; G407-M409 VanDerWaalsContact C-N 3.32Å; G407-M409 PolarHBondContact O-N 3.36Å; G407-R410 PolarHBondContact O-N 2.76Å; G407-R410 VanDerWaalsContact O-N 3.12Å; G407-E411 PolarHBondContact O-N 3.04Å
408	K	85.9	Confident	90.2	Very high	113 Å²	113	93.4 Å²	93.4	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-58.7	-39.2	178.6	-73	169	171.4	170.2	0	113.1	E404 M405 E411 M412	E404-K408 PolarHBondContact O-N 2.97Å; E404-K408 WeakPolarHBondContact OE1-CE 3.28Å; E404-K408 IonicContact OE1-NZ 2.69Å; E404-K408 PolarHBondContact OE1-NZ 3.43Å; M405-K408 PolarHBondContact O-N 2.96Å; K408-E411 PolarHBondContact O-N 3.43Å; K408-M412 WeakPolarHBondContact O-CB 3.34Å; K408-M412 PolarHBondContact O-N 3.46Å
409	M	84.9	Confident	90.3	Very high	114 Å²	114	85.5 Å²	85.5	56%	0.562	44%	0.444	S	S	*	.	H	α-helix	trans	-65.6	-40.9	175.5	-76.4	-174.7	69.2	0	0	112	M405 G407 M412 S413	M405-M409 HydrophobicContact CG-CG 4.44Å; M405-M409 HydrophobicContact CG-SD 4.42Å; M405-M409 WeakPolarHBondContact O-CB 3.35Å; M405-M409 WeakPolarHBondContact O-CG 3.5Å; M405-M409 PolarHBondContact O-N 2.66Å; G407-M409 VanDerWaalsContact C-N 3.32Å; G407-M409 PolarHBondContact O-N 3.36Å; M409-M412 PolarHBondContact O-N 2.76Å; M409-S413 VanDerWaalsContact O-CB 3.29Å; M409-S413 WeakPolarHBondContact O-CB 3.5Å; M409-S413 PolarHBondContact O-N 3.3Å; M409-S413 PolarHBondContact O-OG 3.05Å
410	R	84.4	Confident	90.5	Very high	150 Å²	150	83.8 Å²	83.8	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-45.6	174.9	-82.3	177	-76.5	-155.2	-6.1	111.7	E406 G407 S413 A414	E406-R410 WeakPolarHBondContact O-CB 3.37Å; E406-R410 WeakPolarHBondContact O-CG 3.46Å; E406-R410 PolarHBondContact O-N 3.3Å; E406-R410 VanDerWaalsContact O-N 3.11Å; E406-R410 PolarHBondContact O-NE 2.91Å; E406-R410 IonicContact OE2-NH2 2.75Å; G407-R410 PolarHBondContact O-N 2.76Å; G407-R410 VanDerWaalsContact O-N 3.12Å; R410-S413 WeakPolarHBondContact CA-OG 3.42Å; R410-S413 PolarHBondContact O-N 2.94Å; R410-S413 PolarHBondContact O-OG 3.48Å; R410-A414 PolarHBondContact O-N 3.26Å
411	E	83.7	Confident	90.8	Very high	119 Å²	119	78.4 Å²	78.4	56%	0.556	41%	0.408	S	S	*	.	H	α-helix	trans	-57.9	-49.3	174.3	-70.7	-178.8	-170.9	0	0	112	G407 K408 S413 A414 A415	G407-E411 PolarHBondContact O-N 3.04Å; K408-E411 PolarHBondContact O-N 3.43Å; E411-S413 VanDerWaalsContact C-N 3.35Å; E411-S413 PolarHBondContact O-N 3.11Å; E411-A414 PolarHBondContact O-N 3.43Å; E411-A415 PolarHBondContact O-N 3.49Å
412	M	83.7	Confident	90.9	Very high	131 Å²	131	80.2 Å²	80.2	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-63.4	-38	179	-174.7	172.1	66.5	0	0	112.6	K408 M409 A414 A415	K408-M412 WeakPolarHBondContact O-CB 3.34Å; K408-M412 PolarHBondContact O-N 3.46Å; M409-M412 PolarHBondContact O-N 2.76Å; M412-A414 PolarHBondContact O-N 2.88Å; M412-A415 PolarHBondContact O-N 3.41Å
413	S	87.9	Confident	91.2	Very high	101 Å²	101	77.2 Å²	77.2	71%	0.706	40%	0.395	S	S	*	.	H	α-helix	trans	-68.1	-22.5	178.9	72.7	0	0	0	0	114	M409 R410 E411	M409-S413 VanDerWaalsContact O-CB 3.29Å; M409-S413 WeakPolarHBondContact O-CB 3.5Å; M409-S413 PolarHBondContact O-N 3.3Å; M409-S413 PolarHBondContact O-OG 3.05Å; R410-S413 WeakPolarHBondContact CA-OG 3.42Å; R410-S413 PolarHBondContact O-N 2.94Å; R410-S413 PolarHBondContact O-OG 3.48Å; E411-S413 VanDerWaalsContact C-N 3.35Å; E411-S413 PolarHBondContact O-N 3.11Å
414	A	88.2	Confident	91.3	Very high	33 Å²	33	78.7 Å²	78.7	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-98.4	-7.3	180	0	0	0	0	0	113.2	R410 E411 M412 F421 P446	R410-A414 PolarHBondContact O-N 3.26Å; E411-A414 PolarHBondContact O-N 3.43Å; M412-A414 PolarHBondContact O-N 2.88Å; A414-F421 WeakPolarHBondContact O-CE2 3.33Å; A414-P446 HydrophobicContact CB-CB 3.52Å; A414-P446 HydrophobicContact CB-CG 3.67Å
415	A	91.1	Very high	91.6	Very high	18 Å²	18	73.6 Å²	73.6	15%	0.149	37%	0.37	C	S	.	.			trans	-75.8	127	-177.6	0	0	0	0	0	112.1	E411 M412 Y417 A447 Y449	E411-A415 PolarHBondContact O-N 3.49Å; M412-A415 PolarHBondContact O-N 3.41Å; A415-Y417 HydrophobicContact CB-CE2 4.18Å; A415-A447 WeakPolarHBondContact CA-O 3.43Å; A415-Y449 HydrophobicContact CB-CD2 4.44Å; A415-Y449 HydrophobicContact CB-CE2 4.13Å
416	T	96.4	Very high	91.9	Very high	41 Å²	41	70 Å²	70	25%	0.252	36%	0.357	S	S	.	.			trans	-107.9	160.2	170.2	61.5	0	0	0	0	110.9	V420 F421 F448 Y449	T416-V420 VanDerWaalsContact CB-O 3.24Å; T416-V420 WeakPolarHBondContact CB-O 3.44Å; T416-V420 PolarHBondContact OG1-O 2.6Å; T416-F421 HydrophobicContact CG2-CD2 4.48Å; T416-F448 WeakPolarHBondContact OG1-CB 3.36Å; T416-Y449 PolarHBondContact O-N 2.97Å
417	Y	96.8	Very high	92.3	Very high	110 Å²	110	69.8 Å²	69.8	43%	0.431	36%	0.358	S	S	.	.	S	Bend	trans	-136.8	30.9	-169.2	-60.4	-82.7	0	0	0	112.8	A415 Y449 S451	A415-Y417 HydrophobicContact CB-CE2 4.18Å; Y417-Y449 CarbonylContact C-O 3.58Å; Y417-Y449 AromaticContact CD1-CD2 3.69Å; Y417-Y449 HydrophobicContact CD1-CD2 3.69Å; Y417-Y449 AromaticContact CD1-CG 3.83Å; Y417-Y449 HydrophobicContact CD1-CG 3.83Å; Y417-Y449 AromaticContact CE1-CD2 3.35Å; Y417-Y449 HydrophobicContact CE1-CD2 3.35Å; Y417-Y449 AromaticContact CE1-CE2 3.77Å; Y417-Y449 HydrophobicContact CE1-CE2 3.77Å; Y417-Y449 AromaticContact CE1-CG 3.82Å; Y417-Y449 HydrophobicContact CE1-CG 3.82Å; Y417-S451 WeakPolarHBondContact O-CA 3.19Å
418	D	96.9	Very high	92.9	Very high	84 Å²	84	68.7 Å²	68.7	45%	0.449	35%	0.347	S	S	.	.	S	Bend	trans	-135.5	13.1	-174.3	63.4	-10.4	0	0	0	112.1	V420 Y449 L565	D418-V420 PolarHBondContact O-N 3.36Å; D418-V420 VanDerWaalsContact O-N 3.17Å; D418-V420 PolarHBondContact OD1-N 2.75Å; D418-V420 VanDerWaalsContact OD1-O 3.07Å; D418-Y449 PolarHBondContact N-O 3.28Å; D418-L565 WeakPolarHBondContact O-CD1 3.28Å
419	G	95.9	Very high	93.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	70.6	-1.3	-175	0	0	0	0	0	115	Y449 I562 V563	G419-Y449 PolarHBondContact N-O 2.7Å; G419-I562 CarbonylContact O-C 3.59Å; G419-I562 WeakPolarHBondContact O-CA 3.42Å; G419-V563 PolarHBondContact O-N 2.81Å
420	V	98	Very high	93.9	Very high	47 Å²	47	69.1 Å²	69.1	29%	0.285	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.7	179.4	-176.9	0	0	0	0	109.6	T416 D418 I562	T416-V420 VanDerWaalsContact CB-O 3.24Å; T416-V420 WeakPolarHBondContact CB-O 3.44Å; T416-V420 PolarHBondContact OG1-O 2.6Å; D418-V420 PolarHBondContact O-N 3.36Å; D418-V420 VanDerWaalsContact O-N 3.17Å; D418-V420 PolarHBondContact OD1-N 2.75Å; D418-V420 VanDerWaalsContact OD1-O 3.07Å; V420-I562 HydrophobicContact CG2-CG2 4.39Å
421	F	98.2	Very high	94.6	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.3	-177.6	177	-115.2	0	0	0	111.1	A414 T416 W423 S445 P446 F448 L459 K560 A561	A414-F421 WeakPolarHBondContact O-CE2 3.33Å; T416-F421 HydrophobicContact CG2-CD2 4.48Å; F421-W423 HydrophobicContact CD1-CB 4.49Å; F421-W423 HydrophobicContact CE1-CB 3.72Å; F421-W423 HydrophobicContact CE1-CG 4.37Å; F421-W423 HydrophobicContact CZ-CB 4.04Å; F421-S445 WeakPolarHBondContact CE1-OG 3.38Å; F421-P446 HydrophobicContact CZ-CB 4.29Å; F421-F448 HydrophobicContact CB-CB 3.9Å; F421-F448 HydrophobicContact CB-CD1 3.8Å; F421-F448 HydrophobicContact CB-CD2 3.58Å; F421-F448 HydrophobicContact CB-CE1 4.18Å; F421-F448 HydrophobicContact CB-CE2 3.98Å; F421-F448 HydrophobicContact CB-CG 3.49Å; F421-F448 VanDerWaalsContact CB-CG 3.49Å; F421-F448 HydrophobicContact CB-CZ 4.27Å; F421-F448 AromaticContact CD1-CD1 3.48Å; F421-F448 HydrophobicContact CD1-CD1 3.48Å; F421-F448 VanDerWaalsContact CD1-CD1 3.48Å; F421-F448 AromaticContact CD1-CE1 3.74Å; F421-F448 HydrophobicContact CD1-CE1 3.74Å; F421-F448 HydrophobicContact CD1-CG 4.07Å; F421-F448 HydrophobicContact CD1-CZ 4.49Å; F421-F448 HydrophobicContact CD2-CB 3.73Å; F421-F448 HydrophobicContact CD2-CD1 4.16Å; F421-F448 HydrophobicContact CD2-CG 4.07Å; F421-F448 HydrophobicContact CE1-CD1 4.04Å; F421-F448 HydrophobicContact CE1-CE1 4.41Å; F421-F448 HydrophobicContact CE2-CB 4.42Å; F421-F448 HydrophobicContact CG-CB 3.83Å; F421-F448 AromaticContact CG-CD1 3.55Å; F421-F448 HydrophobicContact CG-CD1 3.55Å; F421-F448 HydrophobicContact CG-CD2 4.24Å; F421-F448 HydrophobicContact CG-CE1 4.13Å; F421-F448 AromaticContact CG-CG 3.62Å; F421-F448 HydrophobicContact CG-CG 3.62Å; F421-L459 HydrophobicContact CD1-CD1 4.21Å; F421-L459 HydrophobicContact CD1-CG 4.49Å; F421-L459 HydrophobicContact CE1-CD1 4.37Å; F421-K560 CarbonylContact O-C 3.58Å; F421-K560 VanDerWaalsContact O-CA 3.27Å; F421-K560 WeakPolarHBondContact O-CA 3.43Å; F421-A561 PolarHBondContact N-O 3.37Å; F421-A561 PolarHBondContact O-N 3.26Å
422	I	97.9	Very high	95.1	Very high	93 Å²	93	61 Å²	61	48%	0.477	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.1	176.9	-61	175.5	0	0	0	108.6	F558 I559 K560	I422-F558 HydrophobicContact CG2-CD1 4.13Å; I422-I559 CarbonylContact C-O 3.58Å; I422-I559 WeakPolarHBondContact CA-O 3.46Å; I422-K560 HydrophobicContact CD1-CD 4.46Å; I422-K560 HydrophobicContact CG1-CB 4.3Å; I422-K560 HydrophobicContact CG1-CD 4.21Å; I422-K560 HydrophobicContact CG1-CG 3.95Å
423	W	97.4	Very high	95.7	Very high	26 Å²	26	60.2 Å²	60.2	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.7	178	-175.6	21.3	0	0	0	110.7	F421 I425 M443 F444 L459 I461 F558 I559	F421-W423 HydrophobicContact CD1-CB 4.49Å; F421-W423 HydrophobicContact CE1-CB 3.72Å; F421-W423 HydrophobicContact CE1-CG 4.37Å; F421-W423 HydrophobicContact CZ-CB 4.04Å; W423-I425 HydrophobicContact CD2-CD1 3.85Å; W423-I425 HydrophobicContact CD2-CG1 3.78Å; W423-I425 HydrophobicContact CE3-CD1 3.88Å; W423-I425 HydrophobicContact CE3-CG1 4.34Å; W423-I425 HydrophobicContact CG-CG1 4.1Å; W423-I425 HydrophobicContact CH2-CD1 4.08Å; W423-I425 HydrophobicContact CZ2-CD1 4.01Å; W423-I425 HydrophobicContact CZ2-CG1 4.07Å; W423-I425 HydrophobicContact CZ3-CD1 4.01Å; W423-M443 HydrophobicContact CH2-CB 4.06Å; W423-M443 HydrophobicContact CZ2-CB 4.29Å; W423-F444 WeakPolarHBondContact CZ2-O 3.32Å; W423-L459 HydrophobicContact CE3-CB 4.29Å; W423-L459 HydrophobicContact CE3-CD1 4.44Å; W423-L459 HydrophobicContact CZ3-CB 4.25Å; W423-I461 HydrophobicContact CH2-CB 4.19Å; W423-I461 HydrophobicContact CH2-CG2 3.41Å; W423-I461 VanDerWaalsContact CH2-CG2 3.41Å; W423-I461 HydrophobicContact CZ2-CG2 4.47Å; W423-I461 HydrophobicContact CZ3-CB 3.86Å; W423-I461 HydrophobicContact CZ3-CG2 3.57Å; W423-F558 WeakPolarHBondContact O-CA 3.48Å; W423-I559 HydrophobicContact CB-CB 4.36Å; W423-I559 HydrophobicContact CE3-CB 4.46Å; W423-I559 PolarHBondContact N-O 3.4Å; W423-I559 PolarHBondContact O-N 2.94Å
424	K	96.4	Very high	96.2	Very high	121 Å²	121	57 Å²	57	53%	0.526	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.9	168	-176	-179.2	-179	-177.8	0	109.9	T556 F558	K424-T556 HydrophobicContact CD-CG2 4.22Å; K424-T556 HydrophobicContact CG-CG2 3.6Å; K424-F558 HydrophobicContact CB-CD1 3.95Å; K424-F558 HydrophobicContact CB-CE1 3.75Å; K424-F558 HydrophobicContact CD-CE1 3.94Å; K424-F558 HydrophobicContact CD-CZ 4.14Å; K424-F558 HydrophobicContact CG-CD1 4.17Å; K424-F558 HydrophobicContact CG-CE1 3.61Å; K424-F558 HydrophobicContact CG-CZ 4Å
425	I	97.3	Very high	96.6	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	92.4	173.1	-55.1	171.7	0	0	0	108	W423 K431 M443 I461 T556 I557 I559	W423-I425 HydrophobicContact CD2-CD1 3.85Å; W423-I425 HydrophobicContact CD2-CG1 3.78Å; W423-I425 HydrophobicContact CE3-CD1 3.88Å; W423-I425 HydrophobicContact CE3-CG1 4.34Å; W423-I425 HydrophobicContact CG-CG1 4.1Å; W423-I425 HydrophobicContact CH2-CD1 4.08Å; W423-I425 HydrophobicContact CZ2-CD1 4.01Å; W423-I425 HydrophobicContact CZ2-CG1 4.07Å; W423-I425 HydrophobicContact CZ3-CD1 4.01Å; I425-K431 HydrophobicContact CG2-CD 4.11Å; I425-M443 HydrophobicContact CD1-CE 4.35Å; I425-M443 HydrophobicContact CG2-CE 3.9Å; I425-I461 HydrophobicContact CD1-CD1 3.88Å; I425-I461 HydrophobicContact CD1-CG2 4.31Å; I425-T556 VanDerWaalsContact O-CA 3.29Å; I425-T556 WeakPolarHBondContact O-CA 3.27Å; I425-I557 HydrophobicContact CB-CG1 3.84Å; I425-I557 HydrophobicContact CD1-CD1 4.12Å; I425-I557 HydrophobicContact CD1-CG1 4.25Å; I425-I557 HydrophobicContact CG1-CG1 4.46Å; I425-I557 HydrophobicContact CG2-CG1 4.5Å; I425-I557 PolarHBondContact N-O 3.48Å; I425-I557 PolarHBondContact O-N 2.88Å; I425-I559 HydrophobicContact CD1-CG1 4.18Å
426	S	96.5	Very high	96.8	Very high	39 Å²	39	58.4 Å²	58.4	27%	0.273	29%	0.293	S	S	.	.			trans	-72.1	175.5	167.7	-39.1	0	0	0	0	111.5	F428 K431 D555	S426-F428 PolarHBondContact O-N 2.83Å; S426-K431 WeakPolarHBondContact O-CD 3.1Å; S426-K431 WeakPolarHBondContact O-CE 3.02Å; S426-K431 PolarHBondContact O-NZ 3.23Å; S426-D555 CarbonylContact C-O 3.55Å
427	D	97.1	Very high	96.8	Very high	90 Å²	90	58.8 Å²	58.8	48%	0.481	30%	0.3	S	S	.	.	S	Bend	trans	53.7	33.3	178.5	-35.1	-67.9	0	0	0	113	T429 K430 K431 D555	D427-T429 VanDerWaalsContact C-N 3.32Å; D427-T429 PolarHBondContact O-N 3.02Å; D427-K430 PolarHBondContact O-N 2.98Å; D427-K431 HydrophobicContact CB-CD 4.37Å; D427-K431 WeakPolarHBondContact O-CG 3.24Å; D427-K431 PolarHBondContact O-N 3.3Å; D427-K431 IonicContact OD2-NZ 2.76Å; D427-K431 PolarHBondContact OD2-NZ 2.93Å; D427-D555 VanDerWaalsContact CA-OD2 3.23Å; D427-D555 WeakPolarHBondContact CA-OD2 3.25Å; D427-D555 PolarHBondContact N-O 3.18Å
428	F	96.6	Very high	96.6	Very high	3 Å²	3	56 Å²	56	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-44.5	-169.4	175.4	-94.3	0	0	0	111.9	S426 K430 K431 R432 L463 L545 I552 D555 I557	S426-F428 PolarHBondContact O-N 2.83Å; F428-K430 PolarHBondContact O-N 2.63Å; F428-K431 PolarHBondContact O-N 3.47Å; F428-R432 HydrophobicContact CE1-CB 4.45Å; F428-R432 VanDerWaalsContact O-CB 3.24Å; F428-R432 WeakPolarHBondContact O-CB 3.18Å; F428-R432 PolarHBondContact O-N 3.21Å; F428-L463 HydrophobicContact CD2-CD1 4.32Å; F428-L463 HydrophobicContact CD2-CD2 4.42Å; F428-L463 HydrophobicContact CE2-CD1 4.31Å; F428-L463 HydrophobicContact CE2-CD2 3.88Å; F428-L545 HydrophobicContact CZ-CD1 4.19Å; F428-I552 HydrophobicContact CD1-CD1 3.84Å; F428-I552 HydrophobicContact CD1-CG1 4.13Å; F428-I552 HydrophobicContact CD1-CG2 4.43Å; F428-I552 HydrophobicContact CE1-CD1 3.43Å; F428-I552 VanDerWaalsContact CE1-CD1 3.43Å; F428-I552 HydrophobicContact CE1-CG1 4.05Å; F428-I552 HydrophobicContact CZ-CD1 4.11Å; F428-D555 WeakPolarHBondContact CB-O 3.45Å; F428-D555 PolarHBondContact N-O 3.5Å; F428-D555 PolarHBondContact N-OD1 3.41Å; F428-D555 PolarHBondContact N-OD2 3.41Å; F428-I557 HydrophobicContact CD2-CB 4.47Å; F428-I557 HydrophobicContact CD2-CD1 3.76Å; F428-I557 HydrophobicContact CD2-CG1 3.8Å; F428-I557 HydrophobicContact CD2-CG2 3.91Å; F428-I557 HydrophobicContact CE2-CD1 3.63Å; F428-I557 HydrophobicContact CE2-CG1 4.17Å; F428-I557 HydrophobicContact CE2-CG2 4.1Å; F428-I557 HydrophobicContact CG-CG2 4.26Å
429	T	95.1	Very high	96.5	Very high	93 Å²	93	59.8 Å²	59.8	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-60	-46.2	-180	-60.6	0	0	0	0	111	D427 Q433 D555	D427-T429 VanDerWaalsContact C-N 3.32Å; D427-T429 PolarHBondContact O-N 3.02Å; T429-Q433 WeakPolarHBondContact O-CB 3.48Å; T429-Q433 PolarHBondContact O-N 3.08Å; T429-D555 VanDerWaalsContact CB-OD1 3.22Å; T429-D555 WeakPolarHBondContact CB-OD1 3.34Å; T429-D555 PolarHBondContact N-OD1 3.44Å; T429-D555 PolarHBondContact N-OD2 3.2Å; T429-D555 PolarHBondContact OG1-OD1 2.96Å
430	K	97	Very high	96.4	Very high	143 Å²	143	61.8 Å²	61.8	62%	0.622	33%	0.33	S	S	*	.	H	α-helix	trans	-64	-50	177	-177.8	-178	175.1	-176.3	0	111.5	D427 F428 R432 Q433 D434	D427-K430 PolarHBondContact O-N 2.98Å; F428-K430 PolarHBondContact O-N 2.63Å; K430-R432 VanDerWaalsContact C-N 3.3Å; K430-R432 PolarHBondContact O-N 3.14Å; K430-Q433 WeakPolarHBondContact O-CB 3.33Å; K430-Q433 PolarHBondContact O-N 3.24Å; K430-Q433 VanDerWaalsContact O-N 3.12Å; K430-D434 PolarHBondContact O-N 2.92Å
431	K	97.6	Very high	96.1	Very high	60 Å²	60	63 Å²	63	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-36.4	-178.8	-72.2	165.4	-176.1	155.2	0	112	I425 S426 D427 F428 D434 A435 M443 L463	I425-K431 HydrophobicContact CG2-CD 4.11Å; S426-K431 WeakPolarHBondContact O-CD 3.1Å; S426-K431 WeakPolarHBondContact O-CE 3.02Å; S426-K431 PolarHBondContact O-NZ 3.23Å; D427-K431 HydrophobicContact CB-CD 4.37Å; D427-K431 WeakPolarHBondContact O-CG 3.24Å; D427-K431 PolarHBondContact O-N 3.3Å; D427-K431 IonicContact OD2-NZ 2.76Å; D427-K431 PolarHBondContact OD2-NZ 2.93Å; F428-K431 PolarHBondContact O-N 3.47Å; K431-D434 PolarHBondContact O-N 2.97Å; K431-A435 PolarHBondContact O-N 3.18Å; K431-M443 HydrophobicContact CB-CE 4.44Å; K431-M443 HydrophobicContact CB-SD 4.28Å; K431-M443 HydrophobicContact CD-CE 4.32Å; K431-M443 HydrophobicContact CD-SD 3.88Å; K431-M443 HydrophobicContact CG-SD 4.16Å; K431-L463 HydrophobicContact CB-CD1 3.67Å
432	R	95.4	Very high	96.1	Very high	38 Å²	38	64 Å²	64	14%	0.143	35%	0.348	C	S	.	.	H	α-helix	trans	-67.3	-41.9	173.5	-173	171.7	176.1	-153.6	-6.9	111.3	F428 K430 D434 A435 V436 L463 D546	F428-R432 HydrophobicContact CE1-CB 4.45Å; F428-R432 VanDerWaalsContact O-CB 3.24Å; F428-R432 WeakPolarHBondContact O-CB 3.18Å; F428-R432 PolarHBondContact O-N 3.21Å; K430-R432 VanDerWaalsContact C-N 3.3Å; K430-R432 PolarHBondContact O-N 3.14Å; R432-D434 VanDerWaalsContact C-N 3.33Å; R432-D434 PolarHBondContact O-N 3.18Å; R432-A435 PolarHBondContact O-N 2.79Å; R432-V436 HydrophobicContact CG-CG2 4.49Å; R432-V436 VanDerWaalsContact O-CG2 3.29Å; R432-V436 WeakPolarHBondContact O-CG2 3.32Å; R432-V436 PolarHBondContact O-N 2.86Å; R432-L463 HydrophobicContact CB-CB 4.29Å; R432-L463 HydrophobicContact CB-CD1 4.28Å; R432-L463 HydrophobicContact CG-CB 4.33Å; R432-D546 IonicContact CZ-OD1 3.26Å; R432-D546 IonicContact CZ-OD2 3.95Å; R432-D546 IonicContact NH1-OD1 3.87Å; R432-D546 PolarHBondContact NH1-OD1 3.22Å; R432-D546 VanDerWaalsContact NH2-CG 3.26Å; R432-D546 IonicContact NH2-OD1 2.77Å; R432-D546 PolarHBondContact NH2-OD1 2.73Å; R432-D546 IonicContact NH2-OD2 3.29Å; R432-D546 PolarHBondContact NH2-OD2 3.17Å
433	Q	96.6	Very high	96	Very high	114 Å²	114	61.6 Å²	61.6	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-37.8	174.4	-169	63.2	18.7	0	0	112.4	T429 K430 A435 V436 A437	T429-Q433 WeakPolarHBondContact O-CB 3.48Å; T429-Q433 PolarHBondContact O-N 3.08Å; K430-Q433 WeakPolarHBondContact O-CB 3.33Å; K430-Q433 PolarHBondContact O-N 3.24Å; K430-Q433 VanDerWaalsContact O-N 3.12Å; Q433-A435 VanDerWaalsContact C-N 3.35Å; Q433-V436 PolarHBondContact O-N 2.84Å; Q433-A437 VanDerWaalsContact O-CB 3.25Å; Q433-A437 WeakPolarHBondContact O-CB 3.26Å; Q433-A437 PolarHBondContact O-N 3.03Å
434	D	97.1	Very high	95.9	Very high	33 Å²	33	64.8 Å²	64.8	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-35.3	173.5	-71.5	-35.8	0	0	0	112.4	K430 K431 R432 G438 R439 A440	K430-D434 PolarHBondContact O-N 2.92Å; K431-D434 PolarHBondContact O-N 2.97Å; R432-D434 VanDerWaalsContact C-N 3.33Å; R432-D434 PolarHBondContact O-N 3.18Å; D434-G438 PolarHBondContact O-N 3.23Å; D434-R439 HydrophobicContact CB-CB 4.43Å; D434-R439 PolarHBondContact O-N 3.35Å; D434-R439 IonicContact OD1-CZ 3.24Å; D434-R439 IonicContact OD1-NE 3.94Å; D434-R439 PolarHBondContact OD1-NE 2.8Å; D434-R439 IonicContact OD1-NH2 2.7Å; D434-R439 PolarHBondContact OD1-NH2 3.1Å; D434-A440 HydrophobicContact CB-CB 4.1Å; D434-A440 PolarHBondContact O-N 2.9Å; D434-A440 VanDerWaalsContact O-N 3.11Å
435	A	96.4	Very high	95.9	Very high	8 Å²	8	59.5 Å²	59.5	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-72	-41.6	173.9	0	0	0	0	0	112.8	K431 R432 Q433 A437 G438 A440 L463 N464	K431-A435 PolarHBondContact O-N 3.18Å; R432-A435 PolarHBondContact O-N 2.79Å; Q433-A435 VanDerWaalsContact C-N 3.35Å; A435-A437 VanDerWaalsContact C-N 3.35Å; A435-G438 PolarHBondContact O-N 3.37Å; A435-G438 VanDerWaalsContact O-N 3.13Å; A435-A440 WeakPolarHBondContact CA-O 3.48Å; A435-A440 WeakPolarHBondContact CB-O 3.33Å; A435-L463 HydrophobicContact CB-CB 4.14Å; A435-N464 HydrophobicContact CB-CB 4.12Å
436	V	96.3	Very high	95.9	Very high	73 Å²	73	61.1 Å²	61.1	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.1	170.7	0	0	0	0	110.9	R432 Q433 G438 N464	R432-V436 HydrophobicContact CG-CG2 4.49Å; R432-V436 VanDerWaalsContact O-CG2 3.29Å; R432-V436 WeakPolarHBondContact O-CG2 3.32Å; R432-V436 PolarHBondContact O-N 2.86Å; Q433-V436 PolarHBondContact O-N 2.84Å; V436-G438 PolarHBondContact O-N 3.38Å; V436-N464 HydrophobicContact CG2-CB 4Å
437	A	96.2	Very high	95.8	Very high	50 Å²	50	60 Å²	60	41%	0.413	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.5	176.3	0	0	0	0	0	114.2	Q433 A435 R439	Q433-A437 VanDerWaalsContact O-CB 3.25Å; Q433-A437 WeakPolarHBondContact O-CB 3.26Å; Q433-A437 PolarHBondContact O-N 3.03Å; A435-A437 VanDerWaalsContact C-N 3.35Å; A437-R439 HydrophobicContact CB-CG 4.46Å; A437-R439 PolarHBondContact O-N 3.24Å
438	G	92.6	Very high	95.9	Very high	51 Å²	51	55.7 Å²	55.7	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	6.1	-179.8	0	0	0	0	0	115.6	D434 A435 V436	D434-G438 PolarHBondContact O-N 3.23Å; A435-G438 PolarHBondContact O-N 3.37Å; A435-G438 VanDerWaalsContact O-N 3.13Å; V436-G438 PolarHBondContact O-N 3.38Å
439	R	94.5	Very high	95.9	Very high	164 Å²	164	57.2 Å²	57.2	62%	0.619	32%	0.315	S	S	*	.	S	Bend	trans	-70	-40.7	177.7	-69.7	-170.9	-69.5	-90.1	1.4	112.3	D434 A437	D434-R439 HydrophobicContact CB-CB 4.43Å; D434-R439 PolarHBondContact O-N 3.35Å; D434-R439 IonicContact OD1-CZ 3.24Å; D434-R439 IonicContact OD1-NE 3.94Å; D434-R439 PolarHBondContact OD1-NE 2.8Å; D434-R439 IonicContact OD1-NH2 2.7Å; D434-R439 PolarHBondContact OD1-NH2 3.1Å; A437-R439 HydrophobicContact CB-CG 4.46Å; A437-R439 PolarHBondContact O-N 3.24Å
440	A	93.6	Very high	96	Very high	42 Å²	42	53 Å²	53	35%	0.347	29%	0.289	S	S	.	.	S	Bend	trans	-139	73.4	179.8	0	0	0	0	0	109.7	D434 A435 A442	D434-A440 HydrophobicContact CB-CB 4.1Å; D434-A440 PolarHBondContact O-N 2.9Å; D434-A440 VanDerWaalsContact O-N 3.11Å; A435-A440 WeakPolarHBondContact CA-O 3.48Å; A435-A440 WeakPolarHBondContact CB-O 3.33Å; A440-A442 VanDerWaalsContact C-N 3.28Å; A440-A442 PolarHBondContact O-N 3.44Å
441	P	93.2	Very high	96	Very high	71 Å²	71	48.8 Å²	48.8	46%	0.461	28%	0.277	S	S	.	.			trans	-66.8	-26.6	-170.6	25.8	-34.4	0	0	0	113.8	Y462	P441-Y462 VanDerWaalsContact O-CD1 3.23Å; P441-Y462 WeakPolarHBondContact O-CD1 3.41Å
442	A	96.4	Very high	95.8	Very high	27 Å²	27	52.8 Å²	52.8	22%	0.223	30%	0.295	C	S	.	.			trans	-136.5	153.4	179	0	0	0	0	0	111.7	A440 R460 I461 Y462	A440-A442 VanDerWaalsContact C-N 3.28Å; A440-A442 PolarHBondContact O-N 3.44Å; A442-R460 HydrophobicContact CB-CG 4.44Å; A442-I461 CarbonylContact C-O 3.57Å; A442-I461 VanDerWaalsContact CA-O 3.26Å; A442-I461 WeakPolarHBondContact CA-O 3.14Å; A442-Y462 HydrophobicContact CB-CD1 3.83Å; A442-Y462 HydrophobicContact CB-CD2 4.01Å; A442-Y462 HydrophobicContact CB-CE1 3.71Å; A442-Y462 HydrophobicContact CB-CE2 3.85Å; A442-Y462 HydrophobicContact CB-CG 4.01Å
443	M	96.6	Very high	95.8	Very high	43 Å²	43	58 Å²	58	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.3	170	-59.6	-176.6	-62.3	0	0	110.4	W423 I425 K431 R460 I461 L463	W423-M443 HydrophobicContact CH2-CB 4.06Å; W423-M443 HydrophobicContact CZ2-CB 4.29Å; I425-M443 HydrophobicContact CD1-CE 4.35Å; I425-M443 HydrophobicContact CG2-CE 3.9Å; K431-M443 HydrophobicContact CB-CE 4.44Å; K431-M443 HydrophobicContact CB-SD 4.28Å; K431-M443 HydrophobicContact CD-CE 4.32Å; K431-M443 HydrophobicContact CD-SD 3.88Å; K431-M443 HydrophobicContact CG-SD 4.16Å; M443-R460 WeakPolarHBondContact O-CA 3.29Å; M443-I461 HydrophobicContact CB-CG2 4.04Å; M443-I461 HydrophobicContact CE-CG2 3.89Å; M443-I461 PolarHBondContact N-O 3.17Å; M443-I461 PolarHBondContact O-N 3.42Å; M443-L463 HydrophobicContact CE-CD1 3.68Å; M443-L463 HydrophobicContact CE-CD2 4.29Å; M443-L463 HydrophobicContact CE-CG 3.96Å
444	F	96.2	Very high	95.9	Very high	92 Å²	92	52.8 Å²	52.8	40%	0.404	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.3	170.4	-66.8	-90.6	0	0	0	110.3	W423 L459 R460 V479 M530	W423-F444 WeakPolarHBondContact CZ2-O 3.32Å; F444-L459 CarbonylContact C-O 3.6Å; F444-L459 VanDerWaalsContact CA-O 3.31Å; F444-L459 WeakPolarHBondContact CA-O 3.37Å; F444-R460 HydrophobicContact CD1-CB 3.97Å; F444-R460 HydrophobicContact CD1-CG 4.01Å; F444-R460 HydrophobicContact CE1-CB 3.91Å; F444-R460 HydrophobicContact CE1-CG 3.71Å; F444-R460 HydrophobicContact CE2-CG 4.49Å; F444-R460 HydrophobicContact CZ-CG 3.97Å; F444-V479 HydrophobicContact CE1-CG2 4.47Å; F444-M530 HydrophobicContact CD1-CE 4.18Å; F444-M530 HydrophobicContact CD1-SD 4.02Å; F444-M530 HydrophobicContact CE1-CE 4.38Å; F444-M530 HydrophobicContact CE1-SD 3.66Å; F444-M530 HydrophobicContact CZ-SD 4.18Å
445	S	96.6	Very high	95.9	Very high	11 Å²	11	51.6 Å²	51.6	8%	0.077	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-77.8	162.9	168.6	77.1	0	0	0	0	111.2	F421 L459	F421-S445 WeakPolarHBondContact CE1-OG 3.38Å; S445-L459 PolarHBondContact N-O 2.93Å; S445-L459 PolarHBondContact OG-N 2.73Å
446	P	95.8	Very high	96	Very high	39 Å²	39	53 Å²	53	25%	0.253	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-50	156.2	155.9	-25.9	34.6	0	0	0	112.3	A414 F421	A414-P446 HydrophobicContact CB-CB 3.52Å; A414-P446 HydrophobicContact CB-CG 3.67Å; F421-P446 HydrophobicContact CZ-CB 4.29Å
447	A	95.8	Very high	96	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-80	144	178.5	0	0	0	0	0	111.9	A415 K456 M457 M481	A415-A447 WeakPolarHBondContact CA-O 3.43Å; A447-K456 HydrophobicContact CB-CD 4.45Å; A447-K456 VanDerWaalsContact CB-CE 3.49Å; A447-K456 HydrophobicContact CB-CG 4.11Å; A447-M457 CarbonylContact C-O 3.51Å; A447-M457 VanDerWaalsContact CA-O 3.23Å; A447-M457 WeakPolarHBondContact CA-O 3.03Å; A447-M481 HydrophobicContact CB-SD 3.91Å
448	F	97.5	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	166.6	174.8	68.6	-81.1	0	0	0	110.7	T416 F421 M457 L459 F478 A561 V563	T416-F448 WeakPolarHBondContact OG1-CB 3.36Å; F421-F448 HydrophobicContact CB-CB 3.9Å; F421-F448 HydrophobicContact CB-CD1 3.8Å; F421-F448 HydrophobicContact CB-CD2 3.58Å; F421-F448 HydrophobicContact CB-CE1 4.18Å; F421-F448 HydrophobicContact CB-CE2 3.98Å; F421-F448 HydrophobicContact CB-CG 3.49Å; F421-F448 VanDerWaalsContact CB-CG 3.49Å; F421-F448 HydrophobicContact CB-CZ 4.27Å; F421-F448 AromaticContact CD1-CD1 3.48Å; F421-F448 HydrophobicContact CD1-CD1 3.48Å; F421-F448 VanDerWaalsContact CD1-CD1 3.48Å; F421-F448 AromaticContact CD1-CE1 3.74Å; F421-F448 HydrophobicContact CD1-CE1 3.74Å; F421-F448 HydrophobicContact CD1-CG 4.07Å; F421-F448 HydrophobicContact CD1-CZ 4.49Å; F421-F448 HydrophobicContact CD2-CB 3.73Å; F421-F448 HydrophobicContact CD2-CD1 4.16Å; F421-F448 HydrophobicContact CD2-CG 4.07Å; F421-F448 HydrophobicContact CE1-CD1 4.04Å; F421-F448 HydrophobicContact CE1-CE1 4.41Å; F421-F448 HydrophobicContact CE2-CB 4.42Å; F421-F448 HydrophobicContact CG-CB 3.83Å; F421-F448 AromaticContact CG-CD1 3.55Å; F421-F448 HydrophobicContact CG-CD1 3.55Å; F421-F448 HydrophobicContact CG-CD2 4.24Å; F421-F448 HydrophobicContact CG-CE1 4.13Å; F421-F448 AromaticContact CG-CG 3.62Å; F421-F448 HydrophobicContact CG-CG 3.62Å; F448-M457 HydrophobicContact CD1-CB 4.45Å; F448-M457 WeakPolarHBondContact CD1-O 3.24Å; F448-M457 HydrophobicContact CD2-CE 3.7Å; F448-M457 HydrophobicContact CE1-CB 4.07Å; F448-M457 HydrophobicContact CE2-CB 4.26Å; F448-M457 HydrophobicContact CE2-CE 3.64Å; F448-M457 HydrophobicContact CE2-SD 4.27Å; F448-M457 HydrophobicContact CZ-CB 3.96Å; F448-M457 HydrophobicContact CZ-CE 4.44Å; F448-M457 PolarHBondContact N-O 2.77Å; F448-M457 PolarHBondContact O-N 2.7Å; F448-L459 HydrophobicContact CE1-CD2 4.21Å; F448-L459 HydrophobicContact CE1-CG 4.17Å; F448-L459 HydrophobicContact CZ-CD2 4.37Å; F448-F478 HydrophobicContact CZ-CE2 4.18Å; F448-A561 HydrophobicContact CE2-CB 4.43Å; F448-A561 HydrophobicContact CZ-CB 3.93Å; F448-V563 HydrophobicContact CE2-CG2 4.07Å
449	Y	98	Very high	96.4	Very high	36 Å²	36	44.8 Å²	44.8	14%	0.141	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.7	-167.7	-56.6	-100	0	0	0	112.7	A415 T416 Y417 D418 G419 S451 Y455 K456 M457	A415-Y449 HydrophobicContact CB-CD2 4.44Å; A415-Y449 HydrophobicContact CB-CE2 4.13Å; T416-Y449 PolarHBondContact O-N 2.97Å; Y417-Y449 CarbonylContact C-O 3.58Å; Y417-Y449 AromaticContact CD1-CD2 3.69Å; Y417-Y449 HydrophobicContact CD1-CD2 3.69Å; Y417-Y449 AromaticContact CD1-CG 3.83Å; Y417-Y449 HydrophobicContact CD1-CG 3.83Å; Y417-Y449 AromaticContact CE1-CD2 3.35Å; Y417-Y449 HydrophobicContact CE1-CD2 3.35Å; Y417-Y449 AromaticContact CE1-CE2 3.77Å; Y417-Y449 HydrophobicContact CE1-CE2 3.77Å; Y417-Y449 AromaticContact CE1-CG 3.82Å; Y417-Y449 HydrophobicContact CE1-CG 3.82Å; D418-Y449 PolarHBondContact N-O 3.28Å; G419-Y449 PolarHBondContact N-O 2.7Å; Y449-S451 WeakPolarHBondContact CB-O 3.3Å; Y449-Y455 VanDerWaalsContact CA-O 3.27Å; Y449-Y455 WeakPolarHBondContact CA-O 3.34Å; Y449-K456 HydrophobicContact CD1-CB 3.97Å; Y449-K456 HydrophobicContact CD1-CG 4.22Å; Y449-K456 HydrophobicContact CE1-CB 3.58Å; Y449-K456 HydrophobicContact CE1-CD 4.11Å; Y449-K456 HydrophobicContact CE1-CG 3.53Å; Y449-M457 VanDerWaalsContact C-CE 3.46Å
450	T	97.6	Very high	96.6	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.025	21%	0.208	C	C	.	.	S	Bend	trans	-73.2	-29.6	172.2	57.5	0	0	0	0	112.7	G454 Y455 M457 V563 L565 L568	T450-G454 WeakPolarHBondContact OG1-CA 3.43Å; T450-Y455 HydrophobicContact CG2-CD2 3.93Å; T450-Y455 PolarHBondContact N-O 3.31Å; T450-Y455 PolarHBondContact OG1-N 3.31Å; T450-M457 HydrophobicContact CG2-CE 3.58Å; T450-M457 HydrophobicContact CG2-SD 3.92Å; T450-V563 HydrophobicContact CG2-CB 4.41Å; T450-V563 HydrophobicContact CG2-CG1 3.83Å; T450-L565 HydrophobicContact CG2-CD2 4.12Å; T450-L565 WeakPolarHBondContact O-CD2 3.43Å; T450-L568 HydrophobicContact CG2-CD1 4.01Å
451	S	96	Very high	96.8	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	19%	0.191	S	C	.	.	S	Bend	trans	-157.3	173.5	173.9	80.6	0	0	0	0	109.7	Y417 Y449 Y453 G454	Y417-S451 WeakPolarHBondContact O-CA 3.19Å; Y449-S451 WeakPolarHBondContact CB-O 3.3Å; S451-Y453 PolarHBondContact O-N 3.14Å; S451-Y453 PolarHBondContact OG-N 2.98Å; S451-G454 PolarHBondContact O-N 3.23Å; S451-G454 WeakPolarHBondContact OG-CA 3.2Å; S451-G454 PolarHBondContact OG-N 3.2Å; S451-G454 VanDerWaalsContact OG-N 3.08Å
452	K	94	Very high	97	Very high	145 Å²	145	36.2 Å²	36.2	63%	0.63	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-28.6	177.6	-175.4	173.9	178.8	-178	0	114.4
453	Y	95.8	Very high	97.1	Very high	148 Å²	148	35.1 Å²	35.1	58%	0.58	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126	21.8	178.1	-55.8	-73.6	0	0	0	111.6	S451 S485	S451-Y453 PolarHBondContact O-N 3.14Å; S451-Y453 PolarHBondContact OG-N 2.98Å; Y453-S485 WeakPolarHBondContact O-CB 3.26Å
454	G	96.9	Very high	97.1	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	16%	0.164	C	C	.	.	S	Bend	trans	-88.7	-168.2	-176.3	0	0	0	0	0	113.6	T450 S451	T450-G454 WeakPolarHBondContact OG1-CA 3.43Å; S451-G454 PolarHBondContact O-N 3.23Å; S451-G454 WeakPolarHBondContact OG-CA 3.2Å; S451-G454 PolarHBondContact OG-N 3.2Å; S451-G454 VanDerWaalsContact OG-N 3.08Å
455	Y	98.1	Very high	97.1	Very high	7 Å²	7	31 Å²	31	3%	0.027	15%	0.149	C	C	.	.			trans	-62.5	138.6	178.9	-53.6	-86.4	0	0	0	110.2	Y449 T450 L489 K490 W491 F493 L568	Y449-Y455 VanDerWaalsContact CA-O 3.27Å; Y449-Y455 WeakPolarHBondContact CA-O 3.34Å; T450-Y455 HydrophobicContact CG2-CD2 3.93Å; T450-Y455 PolarHBondContact N-O 3.31Å; T450-Y455 PolarHBondContact OG1-N 3.31Å; Y455-L489 HydrophobicContact CD1-CB 4.31Å; Y455-L489 HydrophobicContact CD1-CD1 3.58Å; Y455-L489 HydrophobicContact CD2-CD1 4.36Å; Y455-L489 HydrophobicContact CE1-CB 3.69Å; Y455-L489 HydrophobicContact CE1-CD1 3.83Å; Y455-L489 HydrophobicContact CE1-CG 4.31Å; Y455-L489 HydrophobicContact CG-CD1 3.86Å; Y455-K490 WeakPolarHBondContact CE1-O 3.44Å; Y455-K490 PolarHBondContact OH-O 2.99Å; Y455-W491 AromaticContact CD1-CH2 3.66Å; Y455-W491 HydrophobicContact CD1-CH2 3.66Å; Y455-W491 AromaticContact CD1-CZ2 3.83Å; Y455-W491 HydrophobicContact CD1-CZ2 3.83Å; Y455-W491 HydrophobicContact CD1-CZ3 4.18Å; Y455-W491 HydrophobicContact CE1-CD2 4.43Å; Y455-W491 HydrophobicContact CE1-CE3 4.46Å; Y455-W491 HydrophobicContact CE1-CH2 4.05Å; Y455-W491 AromaticContact CE1-CZ2 3.99Å; Y455-W491 HydrophobicContact CE1-CZ2 3.99Å; Y455-W491 HydrophobicContact CE1-CZ3 4.28Å; Y455-F493 AromaticContact CD1-CD2 3.93Å; Y455-F493 HydrophobicContact CD1-CD2 3.93Å; Y455-F493 AromaticContact CD2-CD2 3.96Å; Y455-F493 HydrophobicContact CD2-CD2 3.96Å; Y455-F493 HydrophobicContact CD2-CE2 4.11Å; Y455-F493 HydrophobicContact CE1-CD2 4.24Å; Y455-F493 HydrophobicContact CE2-CD2 4.28Å; Y455-F493 AromaticContact CG-CD2 3.79Å; Y455-F493 HydrophobicContact CG-CD2 3.79Å; Y455-F493 HydrophobicContact CG-CE2 4.17Å; Y455-L568 HydrophobicContact CD2-CD1 4.16Å; Y455-L568 HydrophobicContact CE2-CD1 3.84Å; Y455-L568 HydrophobicContact CE2-CD2 3.7Å; Y455-L568 HydrophobicContact CE2-CG 4.45Å
456	K	97.8	Very high	97.1	Very high	38 Å²	38	33.1 Å²	33.1	17%	0.165	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.8	170.3	-170.9	-176.6	-179.6	-175.4	0	109.2	A447 Y449 M481 R482	A447-K456 HydrophobicContact CB-CD 4.45Å; A447-K456 VanDerWaalsContact CB-CE 3.49Å; A447-K456 HydrophobicContact CB-CG 4.11Å; Y449-K456 HydrophobicContact CD1-CB 3.97Å; Y449-K456 HydrophobicContact CD1-CG 4.22Å; Y449-K456 HydrophobicContact CE1-CB 3.58Å; Y449-K456 HydrophobicContact CE1-CD 4.11Å; Y449-K456 HydrophobicContact CE1-CG 3.53Å; K456-M481 HydrophobicContact CB-CB 4.09Å; K456-M481 HydrophobicContact CD-CB 3.96Å; K456-M481 HydrophobicContact CD-SD 4.33Å; K456-M481 HydrophobicContact CG-CB 3.85Å; K456-M481 HydrophobicContact CG-SD 4.24Å; K456-M481 PolarHBondContact O-N 2.88Å; K456-R482 WeakPolarHBondContact CD-O 3.48Å
457	M	97.9	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.4	-174.4	-55.2	157.5	-65.1	0	0	110.4	A447 F448 Y449 T450 F478 V479 F493 V563	A447-M457 CarbonylContact C-O 3.51Å; A447-M457 VanDerWaalsContact CA-O 3.23Å; A447-M457 WeakPolarHBondContact CA-O 3.03Å; F448-M457 HydrophobicContact CD1-CB 4.45Å; F448-M457 WeakPolarHBondContact CD1-O 3.24Å; F448-M457 HydrophobicContact CD2-CE 3.7Å; F448-M457 HydrophobicContact CE1-CB 4.07Å; F448-M457 HydrophobicContact CE2-CB 4.26Å; F448-M457 HydrophobicContact CE2-CE 3.64Å; F448-M457 HydrophobicContact CE2-SD 4.27Å; F448-M457 HydrophobicContact CZ-CB 3.96Å; F448-M457 HydrophobicContact CZ-CE 4.44Å; F448-M457 PolarHBondContact N-O 2.77Å; F448-M457 PolarHBondContact O-N 2.7Å; Y449-M457 VanDerWaalsContact C-CE 3.46Å; T450-M457 HydrophobicContact CG2-CE 3.58Å; T450-M457 HydrophobicContact CG2-SD 3.92Å; M457-F478 HydrophobicContact CB-CE2 3.82Å; M457-F478 HydrophobicContact CB-CZ 4.01Å; M457-F478 HydrophobicContact CG-CE2 3.85Å; M457-F478 HydrophobicContact CG-CZ 3.58Å; M457-F478 HydrophobicContact SD-CE2 3.69Å; M457-F478 HydrophobicContact SD-CZ 3.51Å; M457-F478 VanDerWaalsContact SD-CZ 3.51Å; M457-V479 CarbonylContact C-O 3.35Å; M457-V479 VanDerWaalsContact CA-O 3.25Å; M457-V479 WeakPolarHBondContact CA-O 3.43Å; M457-F493 HydrophobicContact SD-CE2 4.08Å; M457-F493 HydrophobicContact SD-CZ 4.26Å; M457-V563 HydrophobicContact CE-CG2 4.33Å; M457-V563 HydrophobicContact SD-CG1 4.38Å; M457-V563 HydrophobicContact SD-CG2 3.82Å
458	C	97.8	Very high	97.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	174.1	164.2	71.9	0	0	0	0	110.8	V479 M481	C458-V479 PolarHBondContact N-O 3.01Å; C458-V479 PolarHBondContact O-N 2.71Å; C458-M481 HydrophobicContact CB-CG 4.45Å; C458-M481 HydrophobicContact CB-SD 3.73Å; C458-M481 VanDerWaalsContact SG-SD 3.66Å
459	L	98.4	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149	173.4	-54.3	-179.3	0	0	0	110.1	F421 W423 F444 S445 F448 L476 F477 F478 L499 I559 A561	F421-L459 HydrophobicContact CD1-CD1 4.21Å; F421-L459 HydrophobicContact CD1-CG 4.49Å; F421-L459 HydrophobicContact CE1-CD1 4.37Å; W423-L459 HydrophobicContact CE3-CB 4.29Å; W423-L459 HydrophobicContact CE3-CD1 4.44Å; W423-L459 HydrophobicContact CZ3-CB 4.25Å; F444-L459 CarbonylContact C-O 3.6Å; F444-L459 VanDerWaalsContact CA-O 3.31Å; F444-L459 WeakPolarHBondContact CA-O 3.37Å; S445-L459 PolarHBondContact N-O 2.93Å; S445-L459 PolarHBondContact OG-N 2.73Å; F448-L459 HydrophobicContact CE1-CD2 4.21Å; F448-L459 HydrophobicContact CE1-CG 4.17Å; F448-L459 HydrophobicContact CZ-CD2 4.37Å; L459-L476 HydrophobicContact CB-CD1 4.36Å; L459-F477 CarbonylContact C-O 3.38Å; L459-F477 WeakPolarHBondContact CA-O 3.45Å; L459-F478 HydrophobicContact CD2-CD2 4.27Å; L459-L499 HydrophobicContact CD2-CD2 3.73Å; L459-I559 HydrophobicContact CD1-CG2 3.67Å; L459-A561 HydrophobicContact CD1-CB 3.98Å; L459-A561 HydrophobicContact CD2-CB 3.96Å; L459-A561 HydrophobicContact CG-CB 4.41Å
460	R	98.3	Very high	96.9	Very high	73 Å²	73	46.1 Å²	46.1	28%	0.275	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.9	170.9	-170.9	-175.5	-172.1	-175.6	2	109.1	A442 M443 F444 Y462 F477 V479	A442-R460 HydrophobicContact CB-CG 4.44Å; M443-R460 WeakPolarHBondContact O-CA 3.29Å; F444-R460 HydrophobicContact CD1-CB 3.97Å; F444-R460 HydrophobicContact CD1-CG 4.01Å; F444-R460 HydrophobicContact CE1-CB 3.91Å; F444-R460 HydrophobicContact CE1-CG 3.71Å; F444-R460 HydrophobicContact CE2-CG 4.49Å; F444-R460 HydrophobicContact CZ-CG 3.97Å; R460-Y462 HydrophobicContact CG-CE2 4.05Å; R460-Y462 PolarHBondContact NH1-OH 2.84Å; R460-Y462 PolarHBondContact NH2-OH 2.96Å; R460-F477 HydrophobicContact CB-CB 4.41Å; R460-F477 PolarHBondContact N-O 3.1Å; R460-F477 PolarHBondContact O-N 3.39Å; R460-V479 HydrophobicContact CB-CG2 4.01Å
461	I	98.4	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.2	-176.7	-160.1	174.3	0	0	0	110.9	W423 I425 A442 M443 L463 L474 S475 L476 I559	W423-I461 HydrophobicContact CH2-CB 4.19Å; W423-I461 HydrophobicContact CH2-CG2 3.41Å; W423-I461 VanDerWaalsContact CH2-CG2 3.41Å; W423-I461 HydrophobicContact CZ2-CG2 4.47Å; W423-I461 HydrophobicContact CZ3-CB 3.86Å; W423-I461 HydrophobicContact CZ3-CG2 3.57Å; I425-I461 HydrophobicContact CD1-CD1 3.88Å; I425-I461 HydrophobicContact CD1-CG2 4.31Å; A442-I461 CarbonylContact C-O 3.57Å; A442-I461 VanDerWaalsContact CA-O 3.26Å; A442-I461 WeakPolarHBondContact CA-O 3.14Å; M443-I461 HydrophobicContact CB-CG2 4.04Å; M443-I461 HydrophobicContact CE-CG2 3.89Å; M443-I461 PolarHBondContact N-O 3.17Å; M443-I461 PolarHBondContact O-N 3.42Å; I461-L463 HydrophobicContact CD1-CD2 3.81Å; I461-L463 HydrophobicContact CG1-CD2 4.12Å; I461-L463 HydrophobicContact CG2-CD2 4.33Å; I461-L474 HydrophobicContact CD1-CD1 4.12Å; I461-L474 HydrophobicContact CD1-CD2 4Å; I461-L474 HydrophobicContact CD1-CG 4.27Å; I461-L474 HydrophobicContact CG1-CD2 3.95Å; I461-L474 HydrophobicContact CG1-CG 4.2Å; I461-S475 WeakPolarHBondContact CA-O 3.5Å; I461-L476 HydrophobicContact CB-CD1 3.9Å; I461-L476 HydrophobicContact CD1-CD1 4.21Å; I461-L476 HydrophobicContact CG1-CD1 3.91Å; I461-I559 HydrophobicContact CD1-CD1 4.08Å; I461-I559 HydrophobicContact CD1-CG1 3.96Å
462	Y	98.3	Very high	96.8	Very high	24 Å²	24	49 Å²	49	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.7	172.1	-67.8	-115.9	0	0	0	108	P441 A442 R460 N464 G465 D466 L474 S475 F477	P441-Y462 VanDerWaalsContact O-CD1 3.23Å; P441-Y462 WeakPolarHBondContact O-CD1 3.41Å; A442-Y462 HydrophobicContact CB-CD1 3.83Å; A442-Y462 HydrophobicContact CB-CD2 4.01Å; A442-Y462 HydrophobicContact CB-CE1 3.71Å; A442-Y462 HydrophobicContact CB-CE2 3.85Å; A442-Y462 HydrophobicContact CB-CG 4.01Å; R460-Y462 HydrophobicContact CG-CE2 4.05Å; R460-Y462 PolarHBondContact NH1-OH 2.84Å; R460-Y462 PolarHBondContact NH2-OH 2.96Å; Y462-N464 PolarHBondContact O-N 2.87Å; Y462-G465 PolarHBondContact O-N 2.88Å; Y462-G465 VanDerWaalsContact O-N 3.07Å; Y462-D466 HydrophobicContact CD1-CB 3.66Å; Y462-D466 HydrophobicContact CD2-CB 3.97Å; Y462-D466 HydrophobicContact CE1-CB 3.7Å; Y462-D466 VanDerWaalsContact CE1-CG 3.5Å; Y462-D466 HydrophobicContact CE2-CB 4.05Å; Y462-D466 HydrophobicContact CG-CB 3.76Å; Y462-D466 PolarHBondContact OH-OD2 3.39Å; Y462-L474 WeakPolarHBondContact O-CA 3.37Å; Y462-S475 PolarHBondContact N-O 3.44Å; Y462-S475 PolarHBondContact O-N 2.92Å; Y462-S475 VanDerWaalsContact O-N 3.13Å; Y462-F477 HydrophobicContact CD2-CD2 4.02Å; Y462-F477 AromaticContact CD2-CE2 3.77Å; Y462-F477 HydrophobicContact CD2-CE2 3.77Å; Y462-F477 AromaticContact CE2-CD2 3.96Å; Y462-F477 HydrophobicContact CE2-CD2 3.96Å; Y462-F477 AromaticContact CE2-CE2 3.79Å; Y462-F477 HydrophobicContact CE2-CE2 3.79Å
463	L	97.5	Very high	97	Very high	5 Å²	5	44 Å²	44	3%	0.026	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.9	-176	-60.6	-173.4	0	0	0	113.7	F428 K431 R432 A435 M443 I461 L474	F428-L463 HydrophobicContact CD2-CD1 4.32Å; F428-L463 HydrophobicContact CD2-CD2 4.42Å; F428-L463 HydrophobicContact CE2-CD1 4.31Å; F428-L463 HydrophobicContact CE2-CD2 3.88Å; K431-L463 HydrophobicContact CB-CD1 3.67Å; R432-L463 HydrophobicContact CB-CB 4.29Å; R432-L463 HydrophobicContact CB-CD1 4.28Å; R432-L463 HydrophobicContact CG-CB 4.33Å; A435-L463 HydrophobicContact CB-CB 4.14Å; M443-L463 HydrophobicContact CE-CD1 3.68Å; M443-L463 HydrophobicContact CE-CD2 4.29Å; M443-L463 HydrophobicContact CE-CG 3.96Å; I461-L463 HydrophobicContact CD1-CD2 3.81Å; I461-L463 HydrophobicContact CG1-CD2 4.12Å; I461-L463 HydrophobicContact CG2-CD2 4.33Å; L463-L474 HydrophobicContact CD2-CD1 3.94Å
464	N	97.5	Very high	97.1	Very high	38 Å²	38	37 Å²	37	20%	0.203	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	22.7	172.2	-163.7	46.3	0	0	0	112.2	A435 V436 Y462 G471	A435-N464 HydrophobicContact CB-CB 4.12Å; V436-N464 HydrophobicContact CG2-CB 4Å; Y462-N464 PolarHBondContact O-N 2.87Å; N464-G471 PolarHBondContact O-N 3.06Å
465	G	96.1	Very high	97.2	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	20%	0.204	C	C	.	.			trans	76.9	160.3	172.8	0	0	0	0	0	116.6	Y462 H473 S475	Y462-G465 PolarHBondContact O-N 2.88Å; Y462-G465 VanDerWaalsContact O-N 3.07Å; G465-H473 WeakPolarHBondContact CA-O 3.3Å; G465-H473 PolarHBondContact N-O 2.95Å; G465-S475 VanDerWaalsContact CA-OG 3.3Å; G465-S475 WeakPolarHBondContact CA-OG 3.38Å
466	D	95.9	Very high	97.2	Very high	56 Å²	56	36.5 Å²	36.5	30%	0.299	20%	0.202	S	C	.	.			trans	-135.4	158.3	175.4	-164.6	20.8	0	0	0	111.2	Y462 T468 G469 R470 S475 F477	Y462-D466 HydrophobicContact CD1-CB 3.66Å; Y462-D466 HydrophobicContact CD2-CB 3.97Å; Y462-D466 HydrophobicContact CE1-CB 3.7Å; Y462-D466 VanDerWaalsContact CE1-CG 3.5Å; Y462-D466 HydrophobicContact CE2-CB 4.05Å; Y462-D466 HydrophobicContact CG-CB 3.76Å; Y462-D466 PolarHBondContact OH-OD2 3.39Å; D466-T468 PolarHBondContact O-N 2.89Å; D466-G469 PolarHBondContact O-N 3.41Å; D466-R470 PolarHBondContact O-N 2.82Å; D466-S475 PolarHBondContact N-OG 3.14Å; D466-F477 HydrophobicContact CB-CE2 4.07Å; D466-F477 HydrophobicContact CB-CZ 4.22Å
467	G	94.6	Very high	97.2	Very high	55 Å²	55	35.7 Å²	35.7	57%	0.567	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	51	-123.8	179.1	0	0	0	0	0	112.8	G469 R470	G467-G469 PolarHBondContact O-N 2.85Å; G467-R470 WeakPolarHBondContact O-CB 3.44Å; G467-R470 PolarHBondContact O-N 3.44Å
468	T	96.1	Very high	97.2	Very high	112 Å²	112	35.8 Å²	35.8	69%	0.687	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-67.2	-19.5	178.7	52.2	0	0	0	0	114.3	D466 P537	D466-T468 PolarHBondContact O-N 2.89Å; T468-P537 WeakPolarHBondContact OG1-CB 3.39Å
469	G	95.3	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-93.7	-1.8	177.8	0	0	0	0	0	114.9	D466 G467 G471 T472 H473 L538	D466-G469 PolarHBondContact O-N 3.41Å; G467-G469 PolarHBondContact O-N 2.85Å; G469-G471 PolarHBondContact O-N 3.36Å; G469-T472 PolarHBondContact O-N 3Å; G469-T472 PolarHBondContact O-OG1 3.07Å; G469-T472 VanDerWaalsContact O-OG1 3.11Å; G469-H473 PolarHBondContact O-N 2.88Å; G469-L538 VanDerWaalsContact CA-CD2 3.48Å
470	R	96.3	Very high	97.2	Very high	195 Å²	195	35.9 Å²	35.9	74%	0.736	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	126.1	-175	-170.9	175.7	-178.4	178.2	0.6	112.1	D466 G467 T472	D466-R470 PolarHBondContact O-N 2.82Å; G467-R470 WeakPolarHBondContact O-CB 3.44Å; G467-R470 PolarHBondContact O-N 3.44Å; R470-T472 PolarHBondContact O-N 2.84Å
471	G	95.3	Very high	97.2	Very high	42 Å²	42	33.3 Å²	33.3	43%	0.433	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-0.6	-179.8	0	0	0	0	0	116	N464 G469	N464-G471 PolarHBondContact O-N 3.06Å; G469-G471 PolarHBondContact O-N 3.36Å
472	T	97	Very high	97.2	Very high	76 Å²	76	40 Å²	40	47%	0.466	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-31.4	-175.4	60.1	0	0	0	0	113.3	G469 R470 L542	G469-T472 PolarHBondContact O-N 3Å; G469-T472 PolarHBondContact O-OG1 3.07Å; G469-T472 VanDerWaalsContact O-OG1 3.11Å; R470-T472 PolarHBondContact O-N 2.84Å; T472-L542 WeakPolarHBondContact O-CB 3.21Å; T472-L542 WeakPolarHBondContact O-CG 3.5Å; T472-L542 PolarHBondContact O-N 3Å
473	H	97.9	Very high	97	Very high	42 Å²	42	39.5 Å²	39.5	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.8	-179.8	-65.1	69.1	0	0	0	110.1	G465 G469 L538 C540	G465-H473 WeakPolarHBondContact CA-O 3.3Å; G465-H473 PolarHBondContact N-O 2.95Å; G469-H473 PolarHBondContact O-N 2.88Å; H473-L538 HydrophobicContact CB-CD2 4.36Å; H473-L538 PolarHBondContact CD2-O 3.36Å; H473-C540 CarbonylContact C-O 3.49Å; H473-C540 VanDerWaalsContact CA-O 3.24Å; H473-C540 WeakPolarHBondContact CA-O 3.28Å
474	L	97.8	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.4	155.4	175.6	159.3	0	0	0	106.9	I461 Y462 L463 L476 F539 C540 L542 L545 I557	I461-L474 HydrophobicContact CD1-CD1 4.12Å; I461-L474 HydrophobicContact CD1-CD2 4Å; I461-L474 HydrophobicContact CD1-CG 4.27Å; I461-L474 HydrophobicContact CG1-CD2 3.95Å; I461-L474 HydrophobicContact CG1-CG 4.2Å; Y462-L474 WeakPolarHBondContact O-CA 3.37Å; L463-L474 HydrophobicContact CD2-CD1 3.94Å; L474-L476 HydrophobicContact CD2-CB 4.44Å; L474-F539 HydrophobicContact CD2-CD1 3.9Å; L474-F539 WeakPolarHBondContact O-CB 3.42Å; L474-F539 PolarHBondContact O-N 3.09Å; L474-C540 HydrophobicContact CB-CB 4.36Å; L474-C540 PolarHBondContact N-O 2.94Å; L474-C540 PolarHBondContact O-N 3.41Å; L474-L542 HydrophobicContact CB-CD2 4.04Å; L474-L545 HydrophobicContact CB-CD1 4.4Å; L474-L545 HydrophobicContact CD1-CD1 3.98Å; L474-I557 HydrophobicContact CD1-CD1 4.42Å
475	S	98.4	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.4	177.9	-50.6	0	0	0	0	110.4	I461 Y462 G465 D466 C536 P537	I461-S475 WeakPolarHBondContact CA-O 3.5Å; Y462-S475 PolarHBondContact N-O 3.44Å; Y462-S475 PolarHBondContact O-N 2.92Å; Y462-S475 VanDerWaalsContact O-N 3.13Å; G465-S475 VanDerWaalsContact CA-OG 3.3Å; G465-S475 WeakPolarHBondContact CA-OG 3.38Å; D466-S475 PolarHBondContact N-OG 3.14Å; S475-C536 WeakPolarHBondContact CA-O 3.35Å; S475-P537 WeakPolarHBondContact CB-O 3.1Å; S475-P537 PolarHBondContact OG-O 3.09Å
476	L	98.4	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.3	-177.8	-177	66.2	0	0	0	110.6	L459 I461 L474 L499 C536 F539 I559	L459-L476 HydrophobicContact CB-CD1 4.36Å; I461-L476 HydrophobicContact CB-CD1 3.9Å; I461-L476 HydrophobicContact CD1-CD1 4.21Å; I461-L476 HydrophobicContact CG1-CD1 3.91Å; L474-L476 HydrophobicContact CD2-CB 4.44Å; L476-L499 HydrophobicContact CD2-CB 3.94Å; L476-L499 HydrophobicContact CD2-CD1 4.22Å; L476-L499 HydrophobicContact CD2-CD2 4.49Å; L476-L499 HydrophobicContact CD2-CG 4.45Å; L476-L499 HydrophobicContact CG-CD1 4.17Å; L476-C536 PolarHBondContact N-O 2.67Å; L476-C536 VanDerWaalsContact N-O 3.09Å; L476-C536 PolarHBondContact O-N 3.5Å; L476-F539 HydrophobicContact CB-CB 4.2Å; L476-F539 HydrophobicContact CB-CD1 3.79Å; L476-F539 HydrophobicContact CB-CE1 4.32Å; L476-F539 HydrophobicContact CB-CG 3.95Å; L476-F539 HydrophobicContact CD2-CD1 3.97Å; L476-F539 HydrophobicContact CD2-CE1 3.6Å; L476-F539 HydrophobicContact CD2-CE2 4.37Å; L476-F539 HydrophobicContact CD2-CG 4.5Å; L476-F539 HydrophobicContact CD2-CZ 3.84Å; L476-I559 HydrophobicContact CD1-CG2 4.16Å; L476-I559 HydrophobicContact CD2-CD1 4.43Å; L476-I559 HydrophobicContact CD2-CG2 3.62Å
477	F	98.2	Very high	96.8	Very high	21 Å²	21	48 Å²	48	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.4	-176.1	-53.9	-90.7	0	0	0	111.1	L459 R460 Y462 D466 A533 P537	L459-F477 CarbonylContact C-O 3.38Å; L459-F477 WeakPolarHBondContact CA-O 3.45Å; R460-F477 HydrophobicContact CB-CB 4.41Å; R460-F477 PolarHBondContact N-O 3.1Å; R460-F477 PolarHBondContact O-N 3.39Å; Y462-F477 HydrophobicContact CD2-CD2 4.02Å; Y462-F477 AromaticContact CD2-CE2 3.77Å; Y462-F477 HydrophobicContact CD2-CE2 3.77Å; Y462-F477 AromaticContact CE2-CD2 3.96Å; Y462-F477 HydrophobicContact CE2-CD2 3.96Å; Y462-F477 AromaticContact CE2-CE2 3.79Å; Y462-F477 HydrophobicContact CE2-CE2 3.79Å; D466-F477 HydrophobicContact CB-CE2 4.07Å; D466-F477 HydrophobicContact CB-CZ 4.22Å; F477-A533 HydrophobicContact CB-CB 3.77Å; F477-A533 HydrophobicContact CG-CB 4.34Å; F477-P537 HydrophobicContact CE1-CG 4.05Å; F477-P537 HydrophobicContact CZ-CG 4.16Å
478	F	98.4	Very high	96.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.2	171.2	174.7	-96.7	0	0	0	109.7	F448 M457 L459 V480 F493 V497 F514 F523 A533 S534 V563	F448-F478 HydrophobicContact CZ-CE2 4.18Å; M457-F478 HydrophobicContact CB-CE2 3.82Å; M457-F478 HydrophobicContact CB-CZ 4.01Å; M457-F478 HydrophobicContact CG-CE2 3.85Å; M457-F478 HydrophobicContact CG-CZ 3.58Å; M457-F478 HydrophobicContact SD-CE2 3.69Å; M457-F478 HydrophobicContact SD-CZ 3.51Å; M457-F478 VanDerWaalsContact SD-CZ 3.51Å; L459-F478 HydrophobicContact CD2-CD2 4.27Å; F478-V480 HydrophobicContact CD1-CG2 4.5Å; F478-V480 HydrophobicContact CE1-CG2 3.73Å; F478-V480 HydrophobicContact CZ-CG2 4.48Å; F478-F493 HydrophobicContact CE1-CD1 4.21Å; F478-F493 AromaticContact CE1-CE1 3.61Å; F478-F493 HydrophobicContact CE1-CE1 3.61Å; F478-F493 AromaticContact CE1-CZ 3.91Å; F478-F493 HydrophobicContact CE1-CZ 3.91Å; F478-F493 AromaticContact CZ-CE1 3.78Å; F478-F493 HydrophobicContact CZ-CE1 3.78Å; F478-F493 HydrophobicContact CZ-CE2 4.31Å; F478-F493 AromaticContact CZ-CZ 3.56Å; F478-F493 HydrophobicContact CZ-CZ 3.56Å; F478-V497 HydrophobicContact CB-CG1 4.31Å; F478-V497 HydrophobicContact CD1-CG2 4.19Å; F478-V497 HydrophobicContact CD2-CG1 3.79Å; F478-V497 HydrophobicContact CD2-CG2 4.24Å; F478-V497 HydrophobicContact CE1-CG2 4.06Å; F478-V497 HydrophobicContact CE2-CG1 4.25Å; F478-V497 HydrophobicContact CE2-CG2 4.11Å; F478-V497 HydrophobicContact CG-CG1 4.07Å; F478-V497 HydrophobicContact CG-CG2 4.27Å; F478-V497 HydrophobicContact CZ-CG2 4Å; F478-F514 HydrophobicContact CB-CZ 3.97Å; F478-F514 HydrophobicContact CD1-CZ 4.46Å; F478-F514 HydrophobicContact CG-CZ 4.44Å; F478-F523 HydrophobicContact CD1-CE1 4.17Å; F478-F523 HydrophobicContact CE1-CE1 4.4Å; F478-A533 WeakPolarHBondContact O-CA 3.35Å; F478-S534 PolarHBondContact N-O 3.13Å; F478-S534 PolarHBondContact O-N 2.73Å; F478-V563 HydrophobicContact CE2-CG2 3.98Å; F478-V563 HydrophobicContact CZ-CG2 4.47Å
479	V	98.5	Very high	96.9	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.9	-176.9	-174.7	0	0	0	0	108.9	F444 M457 C458 R460 M481 M530 A533	F444-V479 HydrophobicContact CE1-CG2 4.47Å; M457-V479 CarbonylContact C-O 3.35Å; M457-V479 VanDerWaalsContact CA-O 3.25Å; M457-V479 WeakPolarHBondContact CA-O 3.43Å; C458-V479 PolarHBondContact N-O 3.01Å; C458-V479 PolarHBondContact O-N 2.71Å; R460-V479 HydrophobicContact CB-CG2 4.01Å; V479-M481 HydrophobicContact CG1-CG 4.45Å; V479-M530 HydrophobicContact CG1-CB 3.88Å; V479-M530 HydrophobicContact CG1-CG 4.14Å; V479-M530 HydrophobicContact CG1-SD 4.39Å; V479-A533 HydrophobicContact CG2-CB 3.72Å
480	V	98.3	Very high	96.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.5	164.6	-175.2	0	0	0	0	108.1	F478 W491 F493 F523 P526 N531	F478-V480 HydrophobicContact CD1-CG2 4.5Å; F478-V480 HydrophobicContact CE1-CG2 3.73Å; F478-V480 HydrophobicContact CZ-CG2 4.48Å; V480-W491 HydrophobicContact CG1-CH2 3.77Å; V480-W491 HydrophobicContact CG1-CZ3 3.88Å; V480-F493 HydrophobicContact CG2-CB 4.37Å; V480-F493 HydrophobicContact CG2-CD1 4.31Å; V480-F493 HydrophobicContact CG2-CG 4.25Å; V480-F523 HydrophobicContact CG2-CD1 4.15Å; V480-P526 HydrophobicContact CG1-CG 3.8Å; V480-N531 PolarHBondContact O-N 2.88Å
481	M	97.8	Very high	97	Very high	19 Å²	19	50 Å²	50	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.5	179.1	-57.9	-171.8	69.6	0	0	110.7	A447 K456 C458 V479 G483 D529 M530	A447-M481 HydrophobicContact CB-SD 3.91Å; K456-M481 HydrophobicContact CB-CB 4.09Å; K456-M481 HydrophobicContact CD-CB 3.96Å; K456-M481 HydrophobicContact CD-SD 4.33Å; K456-M481 HydrophobicContact CG-CB 3.85Å; K456-M481 HydrophobicContact CG-SD 4.24Å; K456-M481 PolarHBondContact O-N 2.88Å; C458-M481 HydrophobicContact CB-CG 4.45Å; C458-M481 HydrophobicContact CB-SD 3.73Å; C458-M481 VanDerWaalsContact SG-SD 3.66Å; V479-M481 HydrophobicContact CG1-CG 4.45Å; M481-G483 PolarHBondContact O-N 3.43Å; M481-D529 VanDerWaalsContact CA-O 3.32Å; M481-D529 WeakPolarHBondContact CA-O 3.5Å; M481-M530 HydrophobicContact CE-CE 3.61Å; M481-M530 HydrophobicContact CE-CG 4.06Å; M481-M530 HydrophobicContact CG-CG 4.25Å; M481-M530 HydrophobicContact SD-CE 4.48Å
482	R	97.4	Very high	97.1	Very high	142 Å²	142	50 Å²	50	54%	0.536	25%	0.254	S	S	.	.			trans	-65.6	118.1	172	-171.4	171.1	169	176.8	-8.2	110.8	K456 D486 P526 V527 D529	K456-R482 WeakPolarHBondContact CD-O 3.48Å; R482-D486 WeakPolarHBondContact CA-OD2 3.37Å; R482-P526 HydrophobicContact CB-CB 3.85Å; R482-P526 HydrophobicContact CG-CB 4.46Å; R482-V527 PolarHBondContact NH1-O 3.3Å; R482-D529 PolarHBondContact N-O 2.95Å
483	G	94.8	Very high	97.1	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	23%	0.232	C	C	.	.			trans	-102.5	159.7	176.2	0	0	0	0	0	112.9	M481 S485 D486	M481-G483 PolarHBondContact O-N 3.43Å; G483-S485 PolarHBondContact O-N 3.05Å; G483-D486 WeakPolarHBondContact CA-OD1 3.36Å; G483-D486 PolarHBondContact N-OD1 3.49Å; G483-D486 PolarHBondContact N-OD2 3.03Å; G483-D486 VanDerWaalsContact O-CG 3.24Å
484	H	93.7	Very high	97.1	Very high	183 Å²	183	48 Å²	48	85%	0.847	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25	176.4	-57.4	105.4	0	0	0	112.7
485	S	95.2	Very high	97	Very high	22 Å²	22	49.1 Å²	49.1	15%	0.154	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	3.7	-175.1	-62.1	0	0	0	0	113.8	Y453 G483 A487 L488	Y453-S485 WeakPolarHBondContact O-CB 3.26Å; G483-S485 PolarHBondContact O-N 3.05Å; S485-A487 PolarHBondContact O-N 3Å; S485-L488 WeakPolarHBondContact O-CB 3.37Å; S485-L488 PolarHBondContact O-N 3.41Å
486	D	97.1	Very high	97	Very high	7 Å²	7	53 Å²	53	4%	0.037	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.9	-25.2	-173.9	-68.1	4.2	0	0	0	114.7	R482 G483 L488 L489 W491	R482-D486 WeakPolarHBondContact CA-OD2 3.37Å; G483-D486 WeakPolarHBondContact CA-OD1 3.36Å; G483-D486 PolarHBondContact N-OD1 3.49Å; G483-D486 PolarHBondContact N-OD2 3.03Å; G483-D486 VanDerWaalsContact O-CG 3.24Å; D486-L488 PolarHBondContact O-N 3.28Å; D486-L489 PolarHBondContact O-N 3.14Å; D486-W491 HydrophobicContact CB-CZ2 4.01Å; D486-W491 PolarHBondContact O-NE1 2.9Å
487	A	95.9	Very high	97	Very high	74 Å²	74	53 Å²	53	61%	0.612	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-69.9	-16.6	175.9	0	0	0	0	0	114	S485	S485-A487 PolarHBondContact O-N 3Å
488	L	95.7	Very high	97	Very high	151 Å²	151	53.2 Å²	53.2	79%	0.791	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-101.6	-8.4	-179.9	-52.7	178.4	0	0	0	112.6	S485 D486	S485-L488 WeakPolarHBondContact O-CB 3.37Å; S485-L488 PolarHBondContact O-N 3.41Å; D486-L488 PolarHBondContact O-N 3.28Å
489	L	97	Very high	97	Very high	39 Å²	39	53.1 Å²	53.1	20%	0.204	27%	0.267	C	S	.	.	S	Bend	trans	-95.3	154.9	-173.6	-57.8	178.7	0	0	0	111.5	Y455 D486	Y455-L489 HydrophobicContact CD1-CB 4.31Å; Y455-L489 HydrophobicContact CD1-CD1 3.58Å; Y455-L489 HydrophobicContact CD2-CD1 4.36Å; Y455-L489 HydrophobicContact CE1-CB 3.69Å; Y455-L489 HydrophobicContact CE1-CD1 3.83Å; Y455-L489 HydrophobicContact CE1-CG 4.31Å; Y455-L489 HydrophobicContact CG-CD1 3.86Å; D486-L489 PolarHBondContact O-N 3.14Å
490	K	96.6	Very high	97	Very high	155 Å²	155	53.9 Å²	53.9	67%	0.674	27%	0.271	S	S	*	.			trans	-75.9	144.5	173.6	-64.8	173.3	-173.8	163.3	0	109.2	Y455	Y455-K490 WeakPolarHBondContact CE1-O 3.44Å; Y455-K490 PolarHBondContact OH-O 2.99Å
491	W	97.3	Very high	97	Very high	61 Å²	61	53.9 Å²	53.9	23%	0.231	27%	0.271	C	S	.	.	S	Bend	trans	-137.2	148	178.2	-67.7	99.3	0	0	0	110.3	Y455 V480 D486 F493 R525 P526	Y455-W491 AromaticContact CD1-CH2 3.66Å; Y455-W491 HydrophobicContact CD1-CH2 3.66Å; Y455-W491 AromaticContact CD1-CZ2 3.83Å; Y455-W491 HydrophobicContact CD1-CZ2 3.83Å; Y455-W491 HydrophobicContact CD1-CZ3 4.18Å; Y455-W491 HydrophobicContact CE1-CD2 4.43Å; Y455-W491 HydrophobicContact CE1-CE3 4.46Å; Y455-W491 HydrophobicContact CE1-CH2 4.05Å; Y455-W491 AromaticContact CE1-CZ2 3.99Å; Y455-W491 HydrophobicContact CE1-CZ2 3.99Å; Y455-W491 HydrophobicContact CE1-CZ3 4.28Å; V480-W491 HydrophobicContact CG1-CH2 3.77Å; V480-W491 HydrophobicContact CG1-CZ3 3.88Å; D486-W491 HydrophobicContact CB-CZ2 4.01Å; D486-W491 PolarHBondContact O-NE1 2.9Å; W491-F493 HydrophobicContact CE3-CB 4.38Å; W491-F493 HydrophobicContact CZ3-CB 4.05Å; W491-R525 HydrophobicContact CB-CB 4.33Å; W491-R525 HydrophobicContact CD2-CB 3.63Å; W491-R525 HydrophobicContact CD2-CG 4.06Å; W491-R525 VanDerWaalsContact CE3-CA 3.47Å; W491-R525 HydrophobicContact CE3-CB 4.07Å; W491-R525 HydrophobicContact CG-CB 3.73Å; W491-R525 HydrophobicContact CG-CG 4.24Å; W491-R525 HydrophobicContact CZ2-CG 4.2Å; W491-P526 HydrophobicContact CH2-CG 4.19Å
492	P	97.4	Very high	97	Very high	40 Å²	40	54.3 Å²	54.3	26%	0.26	27%	0.273	S	S	.	.	S	Bend	cis	-69.5	163.6	-2.7	29.1	-35	0	0	0	113.8	N494 I518 F523	P492-N494 PolarHBondContact O-N 3.21Å; P492-I518 HydrophobicContact CG-CB 3.71Å; P492-I518 HydrophobicContact CG-CG2 3.93Å; P492-F523 CarbonylContact C-O 3.57Å; P492-F523 WeakPolarHBondContact CA-O 3.45Å; P492-F523 VanDerWaalsContact CB-O 3.3Å; P492-F523 WeakPolarHBondContact CB-O 3.32Å
493	F	97.8	Very high	97	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.			trans	-64.8	124.6	174.4	172.9	-88.6	0	0	0	110.1	Y455 M457 F478 V480 W491 Q495 V497 P516 F523 V563	Y455-F493 AromaticContact CD1-CD2 3.93Å; Y455-F493 HydrophobicContact CD1-CD2 3.93Å; Y455-F493 AromaticContact CD2-CD2 3.96Å; Y455-F493 HydrophobicContact CD2-CD2 3.96Å; Y455-F493 HydrophobicContact CD2-CE2 4.11Å; Y455-F493 HydrophobicContact CE1-CD2 4.24Å; Y455-F493 HydrophobicContact CE2-CD2 4.28Å; Y455-F493 AromaticContact CG-CD2 3.79Å; Y455-F493 HydrophobicContact CG-CD2 3.79Å; Y455-F493 HydrophobicContact CG-CE2 4.17Å; M457-F493 HydrophobicContact SD-CE2 4.08Å; M457-F493 HydrophobicContact SD-CZ 4.26Å; F478-F493 HydrophobicContact CE1-CD1 4.21Å; F478-F493 AromaticContact CE1-CE1 3.61Å; F478-F493 HydrophobicContact CE1-CE1 3.61Å; F478-F493 AromaticContact CE1-CZ 3.91Å; F478-F493 HydrophobicContact CE1-CZ 3.91Å; F478-F493 AromaticContact CZ-CE1 3.78Å; F478-F493 HydrophobicContact CZ-CE1 3.78Å; F478-F493 HydrophobicContact CZ-CE2 4.31Å; F478-F493 AromaticContact CZ-CZ 3.56Å; F478-F493 HydrophobicContact CZ-CZ 3.56Å; V480-F493 HydrophobicContact CG2-CB 4.37Å; V480-F493 HydrophobicContact CG2-CD1 4.31Å; V480-F493 HydrophobicContact CG2-CG 4.25Å; W491-F493 HydrophobicContact CE3-CB 4.38Å; W491-F493 HydrophobicContact CZ3-CB 4.05Å; F493-Q495 HydrophobicContact CE1-CB 4.28Å; F493-Q495 HydrophobicContact CE2-CB 4.01Å; F493-Q495 HydrophobicContact CE2-CG 4.08Å; F493-Q495 HydrophobicContact CZ-CB 3.73Å; F493-Q495 HydrophobicContact CZ-CG 4.33Å; F493-V497 HydrophobicContact CE1-CG2 3.94Å; F493-V497 HydrophobicContact CZ-CG2 4.21Å; F493-P516 HydrophobicContact CD1-CB 4.25Å; F493-P516 HydrophobicContact CD1-CG 3.57Å; F493-P516 HydrophobicContact CE1-CG 3.62Å; F493-P516 WeakPolarHBondContact O-CB 3.45Å; F493-F523 HydrophobicContact CB-CB 4.29Å; F493-F523 AromaticContact CD1-CD1 3.89Å; F493-F523 HydrophobicContact CD1-CD1 3.89Å; F493-F523 PolarHBondContact N-O 3.04Å; F493-V563 HydrophobicContact CE2-CG1 4.24Å; F493-V563 HydrophobicContact CZ-CG1 3.84Å
494	N	96.8	Very high	97.1	Very high	78 Å²	78	49.9 Å²	49.9	42%	0.417	26%	0.256	S	S	.	.			trans	-133	18.8	-171.2	-164.5	19.2	0	0	0	113.8	P492 I518	P492-N494 PolarHBondContact O-N 3.21Å; N494-I518 HydrophobicContact CB-CG2 4.35Å
495	Q	97.5	Very high	97.2	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.107	24%	0.236	C	C	.	.			trans	-80.8	138.7	178.4	-58.3	-44.6	103.8	0	0	111	F493 V497 P516 V563 D564 T566 L568	F493-Q495 HydrophobicContact CE1-CB 4.28Å; F493-Q495 HydrophobicContact CE2-CB 4.01Å; F493-Q495 HydrophobicContact CE2-CG 4.08Å; F493-Q495 HydrophobicContact CZ-CB 3.73Å; F493-Q495 HydrophobicContact CZ-CG 4.33Å; Q495-V497 PolarHBondContact O-N 2.98Å; Q495-P516 WeakPolarHBondContact O-CD 3.41Å; Q495-P516 VanDerWaalsContact O-CG 3.24Å; Q495-P516 WeakPolarHBondContact O-CG 3.29Å; Q495-V563 HydrophobicContact CB-CG1 3.6Å; Q495-V563 HydrophobicContact CG-CG1 4.26Å; Q495-D564 VanDerWaalsContact CB-O 3.32Å; Q495-D564 WeakPolarHBondContact CB-O 3.48Å; Q495-D564 WeakPolarHBondContact CG-O 3.45Å; Q495-D564 PolarHBondContact NE2-O 2.81Å; Q495-T566 PolarHBondContact NE2-O 3.44Å; Q495-L568 HydrophobicContact CG-CD1 3.93Å; Q495-L568 HydrophobicContact CG-CD2 4.2Å; Q495-L568 HydrophobicContact CG-CG 4.18Å
496	K	97.8	Very high	97	Very high	81 Å²	81	50.1 Å²	50.1	35%	0.352	26%	0.261	S	S	.	.			trans	-61.6	130.5	174.4	179.9	-172.5	172.7	-173.7	0	109.4	R515 D564	K496-R515 HydrophobicContact CB-CG 4.26Å; K496-R515 HydrophobicContact CG-CG 4.39Å; K496-D564 HydrophobicContact CB-CB 3.87Å; K496-D564 PolarHBondContact O-N 3.01Å
497	V	98.3	Very high	96.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133	176.1	-176	0	0	0	0	108.7	F478 F493 Q495 L499 A513 F514 V563	F478-V497 HydrophobicContact CB-CG1 4.31Å; F478-V497 HydrophobicContact CD1-CG2 4.19Å; F478-V497 HydrophobicContact CD2-CG1 3.79Å; F478-V497 HydrophobicContact CD2-CG2 4.24Å; F478-V497 HydrophobicContact CE1-CG2 4.06Å; F478-V497 HydrophobicContact CE2-CG1 4.25Å; F478-V497 HydrophobicContact CE2-CG2 4.11Å; F478-V497 HydrophobicContact CG-CG1 4.07Å; F478-V497 HydrophobicContact CG-CG2 4.27Å; F478-V497 HydrophobicContact CZ-CG2 4Å; F493-V497 HydrophobicContact CE1-CG2 3.94Å; F493-V497 HydrophobicContact CZ-CG2 4.21Å; Q495-V497 PolarHBondContact O-N 2.98Å; V497-L499 HydrophobicContact CG1-CD2 3.99Å; V497-L499 HydrophobicContact CG1-CG 4.18Å; V497-A513 CarbonylContact O-C 3.57Å; V497-A513 VanDerWaalsContact O-CA 3.24Å; V497-A513 WeakPolarHBondContact O-CA 2.97Å; V497-F514 HydrophobicContact CB-CE1 3.98Å; V497-F514 HydrophobicContact CB-CE2 4.12Å; V497-F514 HydrophobicContact CB-CZ 3.76Å; V497-F514 HydrophobicContact CG1-CE1 4.08Å; V497-F514 HydrophobicContact CG1-CZ 4.06Å; V497-F514 HydrophobicContact CG2-CE2 4.17Å; V497-F514 HydrophobicContact CG2-CZ 4.07Å; V497-F514 PolarHBondContact N-O 2.85Å; V497-F514 PolarHBondContact O-N 3.44Å; V497-V563 HydrophobicContact CG2-CG2 4.5Å
498	T	98.4	Very high	96.7	Very high	26 Å²	26	62.3 Å²	62.3	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.2	171.9	-53.8	0	0	0	0	108.6	M500 I511 A513 A561 I562	T498-M500 HydrophobicContact CG2-CG 4.31Å; T498-I511 HydrophobicContact CG2-CG2 3.74Å; T498-A513 HydrophobicContact CG2-CB 4.12Å; T498-A561 CarbonylContact O-C 3.58Å; T498-A561 WeakPolarHBondContact O-CA 3.08Å; T498-I562 PolarHBondContact N-O 3.14Å; T498-I562 PolarHBondContact O-N 3.33Å
499	L	98.4	Very high	96.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.2	-179.1	-60.4	176.7	0	0	0	109	L459 L476 V497 I511 D512 F514 F539 K560 A561	L459-L499 HydrophobicContact CD2-CD2 3.73Å; L476-L499 HydrophobicContact CD2-CB 3.94Å; L476-L499 HydrophobicContact CD2-CD1 4.22Å; L476-L499 HydrophobicContact CD2-CD2 4.49Å; L476-L499 HydrophobicContact CD2-CG 4.45Å; L476-L499 HydrophobicContact CG-CD1 4.17Å; V497-L499 HydrophobicContact CG1-CD2 3.99Å; V497-L499 HydrophobicContact CG1-CG 4.18Å; L499-I511 WeakPolarHBondContact O-CA 3.34Å; L499-D512 PolarHBondContact N-O 3.31Å; L499-D512 PolarHBondContact O-N 2.82Å; L499-D512 VanDerWaalsContact O-O 3.12Å; L499-F514 HydrophobicContact CD1-CE1 4.18Å; L499-F539 HydrophobicContact CB-CE2 3.98Å; L499-F539 HydrophobicContact CB-CZ 4.24Å; L499-K560 CarbonylContact C-O 3.58Å; L499-A561 HydrophobicContact CD2-CB 3.95Å
500	M	98.4	Very high	96.7	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.3	-175.5	-45.5	171	66.7	0	0	111.5	T498 L502 H509 I510 I511 I559 K560 I562	T498-M500 HydrophobicContact CG2-CG 4.31Å; M500-L502 HydrophobicContact CB-CD2 4.11Å; M500-L502 HydrophobicContact CE-CD2 3.98Å; M500-L502 HydrophobicContact SD-CD2 4.41Å; M500-H509 HydrophobicContact CE-CB 3.91Å; M500-H509 VanDerWaalsContact CE-CD2 3.48Å; M500-H509 WeakPolarHBondContact CE-CD2 3.3Å; M500-I510 CarbonylContact C-O 3.56Å; M500-I510 WeakPolarHBondContact CA-O 3.29Å; M500-I511 HydrophobicContact CE-CD1 3.82Å; M500-I511 HydrophobicContact CE-CG1 3.92Å; M500-I511 HydrophobicContact CG-CG1 4.13Å; M500-I511 HydrophobicContact CG-CG2 4.26Å; M500-I559 CarbonylContact O-C 3.56Å; M500-I559 VanDerWaalsContact O-CA 3.31Å; M500-I559 WeakPolarHBondContact O-CA 3.45Å; M500-K560 HydrophobicContact CB-CB 4.2Å; M500-K560 PolarHBondContact N-O 3.15Å; M500-K560 PolarHBondContact O-N 2.73Å; M500-K560 HydrophobicContact SD-CB 4.35Å; M500-K560 HydrophobicContact SD-CD 3.99Å; M500-K560 HydrophobicContact SD-CG 4.32Å; M500-I562 HydrophobicContact SD-CD1 4.18Å
501	L	98.4	Very high	96.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.2	156.8	170.9	64.4	0	0	0	107.5	D503 I510 F539 C540 L545 Y551 I557 I559	L501-D503 PolarHBondContact O-N 3.5Å; L501-I510 HydrophobicContact CB-CB 4.31Å; L501-I510 HydrophobicContact CD2-CD1 4.42Å; L501-I510 PolarHBondContact N-O 3.03Å; L501-I510 PolarHBondContact O-N 2.84Å; L501-I510 VanDerWaalsContact O-N 3.08Å; L501-F539 HydrophobicContact CB-CE1 3.98Å; L501-C540 HydrophobicContact CD2-CB 4.49Å; L501-L545 HydrophobicContact CD2-CD2 3.9Å; L501-Y551 HydrophobicContact CD2-CD1 4.05Å; L501-Y551 HydrophobicContact CD2-CG 4.09Å; L501-Y551 HydrophobicContact CG-CD1 3.89Å; L501-Y551 HydrophobicContact CG-CG 4.32Å; L501-I557 HydrophobicContact CD1-CB 4.03Å; L501-I557 HydrophobicContact CD1-CD1 4.18Å; L501-I557 HydrophobicContact CD1-CG2 4.46Å; L501-I559 HydrophobicContact CB-CD1 4.1Å; L501-I559 HydrophobicContact CD1-CD1 3.76Å
502	L	97.9	Very high	96.8	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	26%	0.264	C	S	.	.			trans	-78.4	114.2	-175	-57.8	-177.3	0	0	0	110.7	M500 Q504 F558 K560	M500-L502 HydrophobicContact CB-CD2 4.11Å; M500-L502 HydrophobicContact CE-CD2 3.98Å; M500-L502 HydrophobicContact SD-CD2 4.41Å; L502-Q504 PolarHBondContact O-N 3.14Å; L502-F558 HydrophobicContact CB-CB 4.2Å; L502-F558 HydrophobicContact CD1-CB 4.06Å; L502-F558 HydrophobicContact CG-CB 4.38Å; L502-F558 PolarHBondContact N-O 3.42Å; L502-K560 HydrophobicContact CD1-CB 4.16Å; L502-K560 HydrophobicContact CD2-CB 3.98Å; L502-K560 HydrophobicContact CD2-CD 4.3Å; L502-K560 HydrophobicContact CG-CB 4.12Å
503	D	96.9	Very high	96.7	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.027	27%	0.268	C	S	.	.			trans	-57.8	117.4	154.2	167.6	31.3	0	0	0	109.7	L501 N505 N506 R507 E508 H509 S550 Y551	L501-D503 PolarHBondContact O-N 3.5Å; D503-N505 PolarHBondContact O-N 3.06Å; D503-N505 WeakPolarHBondContact OD1-CB 3.01Å; D503-N505 PolarHBondContact OD1-N 3.04Å; D503-N506 PolarHBondContact O-N 3.28Å; D503-N506 PolarHBondContact OD2-N 3.18Å; D503-R507 WeakPolarHBondContact OD2-CA 3.4Å; D503-R507 WeakPolarHBondContact OD2-CB 3.16Å; D503-R507 PolarHBondContact OD2-N 2.85Å; D503-E508 WeakPolarHBondContact CB-O 3.43Å; D503-E508 PolarHBondContact OD2-N 3.04Å; D503-H509 PolarHBondContact N-ND1 3.48Å; D503-H509 PolarHBondContact O-CE1 3.4Å; D503-H509 PolarHBondContact O-ND1 3.46Å; D503-S550 WeakPolarHBondContact OD1-CB 3.49Å; D503-S550 PolarHBondContact OD1-OG 3.4Å; D503-Y551 HydrophobicContact CB-CD1 3.94Å; D503-Y551 HydrophobicContact CB-CE1 3.73Å
504	Q	96.1	Very high	96.6	Very high	57 Å²	57	56.4 Å²	56.4	27%	0.266	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.2	-177.7	-55.2	-179.2	43.1	0	0	112.5	L502 N506 S550 Y551 R553 T556 F558	L502-Q504 PolarHBondContact O-N 3.14Å; Q504-N506 VanDerWaalsContact C-N 3.34Å; Q504-S550 WeakPolarHBondContact CB-O 3.29Å; Q504-S550 PolarHBondContact N-O 3.2Å; Q504-Y551 PolarHBondContact NE2-O 2.77Å; Q504-R553 VanDerWaalsContact CB-NH2 3.32Å; Q504-R553 PolarHBondContact O-NH2 2.85Å; Q504-T556 PolarHBondContact NE2-O 2.93Å; Q504-F558 HydrophobicContact CG-CD2 3.96Å; Q504-F558 HydrophobicContact CG-CE2 4.34Å
505	N	95.4	Very high	96.5	Very high	82 Å²	82	60.4 Å²	60.4	44%	0.439	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2	167.1	-82	-20	0	0	0	112.5	D503 R507 S550 R553	D503-N505 PolarHBondContact O-N 3.06Å; D503-N505 WeakPolarHBondContact OD1-CB 3.01Å; D503-N505 PolarHBondContact OD1-N 3.04Å; N505-R507 VanDerWaalsContact C-N 3.25Å; N505-R507 HydrophobicContact CB-CG 4.2Å; N505-R507 PolarHBondContact O-N 2.91Å; N505-S550 VanDerWaalsContact ND2-CB 3.26Å; N505-S550 WeakPolarHBondContact ND2-CB 3.32Å; N505-R553 VanDerWaalsContact OD1-CZ 3.29Å; N505-R553 PolarHBondContact OD1-NH1 3.04Å; N505-R553 PolarHBondContact OD1-NH2 3.42Å
506	N	91.8	Very high	96.4	Very high	127 Å²	127	59.7 Å²	59.7	68%	0.679	28%	0.283	S	S	*	.	S	Bend	trans	55.6	36.8	178.4	-155.5	86.9	0	0	0	113.6	D503 Q504	D503-N506 PolarHBondContact O-N 3.28Å; D503-N506 PolarHBondContact OD2-N 3.18Å; Q504-N506 VanDerWaalsContact C-N 3.34Å
507	R	92.9	Very high	96.2	Very high	217 Å²	217	59.9 Å²	59.9	82%	0.819	29%	0.288	S	S	*	.	S	Bend	trans	-100	-57.2	175.6	-61.5	-177.7	174	-146.2	-2.5	111.9	D503 N505	D503-R507 WeakPolarHBondContact OD2-CA 3.4Å; D503-R507 WeakPolarHBondContact OD2-CB 3.16Å; D503-R507 PolarHBondContact OD2-N 2.85Å; N505-R507 VanDerWaalsContact C-N 3.25Å; N505-R507 HydrophobicContact CB-CG 4.2Å; N505-R507 PolarHBondContact O-N 2.91Å
508	E	93.6	Very high	96	Very high	121 Å²	121	64.6 Å²	64.6	57%	0.565	31%	0.312	S	S	*	.			trans	-141.4	98.4	-174.8	-171	-169.4	173.3	0	0	109.8	D503 Y551	D503-E508 WeakPolarHBondContact CB-O 3.43Å; D503-E508 PolarHBondContact OD2-N 3.04Å; E508-Y551 WeakPolarHBondContact O-CE1 3.2Å; E508-Y551 PolarHBondContact O-OH 3.48Å
509	H	96.6	Very high	95.8	Very high	52 Å²	52	67.9 Å²	67.9	24%	0.241	34%	0.336	C	S	.	.			trans	-77.1	143.7	170.3	-52	-41.9	0	0	0	109.9	M500 D503 I511	M500-H509 HydrophobicContact CE-CB 3.91Å; M500-H509 VanDerWaalsContact CE-CD2 3.48Å; M500-H509 WeakPolarHBondContact CE-CD2 3.3Å; D503-H509 PolarHBondContact N-ND1 3.48Å; D503-H509 PolarHBondContact O-CE1 3.4Å; D503-H509 PolarHBondContact O-ND1 3.46Å; H509-I511 HydrophobicContact CB-CD1 4.39Å; H509-I511 HydrophobicContact CB-CG1 4.07Å
510	I	97.3	Very high	95.7	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.4	167.1	-63.8	175.2	0	0	0	106.8	M500 L501 F539 C540 K544 Y551	M500-I510 CarbonylContact C-O 3.56Å; M500-I510 WeakPolarHBondContact CA-O 3.29Å; L501-I510 HydrophobicContact CB-CB 4.31Å; L501-I510 HydrophobicContact CD2-CD1 4.42Å; L501-I510 PolarHBondContact N-O 3.03Å; L501-I510 PolarHBondContact O-N 2.84Å; L501-I510 VanDerWaalsContact O-N 3.08Å; I510-F539 HydrophobicContact CG2-CZ 4.5Å; I510-F539 WeakPolarHBondContact CG2-O 3.29Å; I510-C540 HydrophobicContact CD1-CB 4.12Å; I510-C540 WeakPolarHBondContact CD1-SG 3.24Å; I510-K544 HydrophobicContact CD1-CD 4.03Å; I510-Y551 HydrophobicContact CD1-CE1 4.08Å; I510-Y551 HydrophobicContact CD1-CE2 4.31Å; I510-Y551 HydrophobicContact CG1-CE1 3.89Å
511	I	97.3	Very high	95.5	Very high	97 Å²	97	72 Å²	72	50%	0.497	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.8	-172.6	-52.9	176.6	0	0	0	108.9	T498 L499 M500 H509	T498-I511 HydrophobicContact CG2-CG2 3.74Å; L499-I511 WeakPolarHBondContact O-CA 3.34Å; M500-I511 HydrophobicContact CE-CD1 3.82Å; M500-I511 HydrophobicContact CE-CG1 3.92Å; M500-I511 HydrophobicContact CG-CG1 4.13Å; M500-I511 HydrophobicContact CG-CG2 4.26Å; H509-I511 HydrophobicContact CB-CD1 4.39Å; H509-I511 HydrophobicContact CB-CG1 4.07Å
512	D	97.3	Very high	95.5	Very high	68 Å²	68	72.3 Å²	72.3	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.5	165.3	-160.1	-14.4	0	0	0	109	L499 C536 F539	L499-D512 PolarHBondContact N-O 3.31Å; L499-D512 PolarHBondContact O-N 2.82Å; L499-D512 VanDerWaalsContact O-O 3.12Å; D512-C536 VanDerWaalsContact CG-SG 3.52Å; D512-C536 PolarHBondContact OD2-SG 2.95Å; D512-F539 HydrophobicContact CB-CD2 3.73Å; D512-F539 HydrophobicContact CB-CE2 3.66Å
513	A	96.5	Very high	95.5	Very high	42 Å²	42	71.1 Å²	71.1	35%	0.347	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	133.7	-177.1	0	0	0	0	0	112.1	V497 T498	V497-A513 CarbonylContact O-C 3.57Å; V497-A513 VanDerWaalsContact O-CA 3.24Å; V497-A513 WeakPolarHBondContact O-CA 2.97Å; T498-A513 HydrophobicContact CG2-CB 4.12Å
514	F	96.1	Very high	95.5	Very high	41 Å²	41	74.1 Å²	74.1	18%	0.18	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.7	-179.5	65.2	-90.2	0	0	0	111.7	F478 V497 L499 F523	F478-F514 HydrophobicContact CB-CZ 3.97Å; F478-F514 HydrophobicContact CD1-CZ 4.46Å; F478-F514 HydrophobicContact CG-CZ 4.44Å; V497-F514 HydrophobicContact CB-CE1 3.98Å; V497-F514 HydrophobicContact CB-CE2 4.12Å; V497-F514 HydrophobicContact CB-CZ 3.76Å; V497-F514 HydrophobicContact CG1-CE1 4.08Å; V497-F514 HydrophobicContact CG1-CZ 4.06Å; V497-F514 HydrophobicContact CG2-CE2 4.17Å; V497-F514 HydrophobicContact CG2-CZ 4.07Å; V497-F514 PolarHBondContact N-O 2.85Å; V497-F514 PolarHBondContact O-N 3.44Å; L499-F514 HydrophobicContact CD1-CE1 4.18Å; F514-F523 HydrophobicContact CE2-CE1 4.07Å; F514-F523 AromaticContact CE2-CZ 3.79Å; F514-F523 HydrophobicContact CE2-CZ 3.79Å
515	R	94.8	Very high	95.6	Very high	162 Å²	162	77.7 Å²	77.7	61%	0.611	39%	0.387	S	S	*	.			trans	-99.7	135.1	162.8	-73.2	-173	174.1	-80.1	-1.5	108.2	K496	K496-R515 HydrophobicContact CB-CG 4.26Å; K496-R515 HydrophobicContact CG-CG 4.39Å
516	P	95.3	Very high	95.6	Very high	8 Å²	8	74.1 Å²	74.1	5%	0.052	37%	0.369	C	S	.	.			trans	-52.2	137.3	175.5	-31	37.6	0	0	0	113.1	F493 Q495 I518 F523	F493-P516 HydrophobicContact CD1-CB 4.25Å; F493-P516 HydrophobicContact CD1-CG 3.57Å; F493-P516 HydrophobicContact CE1-CG 3.62Å; F493-P516 WeakPolarHBondContact O-CB 3.45Å; Q495-P516 WeakPolarHBondContact O-CD 3.41Å; Q495-P516 VanDerWaalsContact O-CG 3.24Å; Q495-P516 WeakPolarHBondContact O-CG 3.29Å; P516-I518 PolarHBondContact O-N 2.9Å; P516-F523 HydrophobicContact CB-CB 4.29Å; P516-F523 HydrophobicContact CB-CD1 3.77Å; P516-F523 HydrophobicContact CB-CD2 3.82Å; P516-F523 HydrophobicContact CB-CE1 3.96Å; P516-F523 HydrophobicContact CB-CE2 4.03Å; P516-F523 HydrophobicContact CB-CG 3.69Å; P516-F523 HydrophobicContact CB-CZ 4.09Å; P516-F523 HydrophobicContact CG-CD1 4.14Å; P516-F523 HydrophobicContact CG-CE1 4.14Å
517	D	93.4	Very high	95.7	Very high	85 Å²	85	74 Å²	74	46%	0.455	37%	0.373	S	S	.	.			trans	-79.8	107.4	166.9	173.9	3.6	0	0	0	108.9	S519 S520 F523	D517-S519 VanDerWaalsContact CG-OG 3.25Å; D517-S519 PolarHBondContact O-N 3.32Å; D517-S519 WeakPolarHBondContact OD1-CB 3.26Å; D517-S519 PolarHBondContact OD1-N 3.48Å; D517-S519 PolarHBondContact OD1-OG 3.25Å; D517-S519 PolarHBondContact OD2-OG 2.88Å; D517-S519 VanDerWaalsContact OD2-OG 3.14Å; D517-S520 WeakPolarHBondContact O-CB 3.32Å; D517-S520 PolarHBondContact O-N 2.79Å; D517-F523 WeakPolarHBondContact O-CD2 3.42Å
518	I	93.3	Very high	95.7	Very high	99 Å²	99	67.1 Å²	67.1	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.1	-178.9	61.4	169.1	0	0	0	114.2	P492 N494 P516 Q524	P492-I518 HydrophobicContact CG-CB 3.71Å; P492-I518 HydrophobicContact CG-CG2 3.93Å; N494-I518 HydrophobicContact CB-CG2 4.35Å; P516-I518 PolarHBondContact O-N 2.9Å; I518-Q524 PolarHBondContact O-NE2 3.49Å
519	S	94.4	Very high	95.7	Very high	96 Å²	96	67.2 Å²	67.2	67%	0.671	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.9	174.1	76.2	0	0	0	0	113.2	D517	D517-S519 VanDerWaalsContact CG-OG 3.25Å; D517-S519 PolarHBondContact O-N 3.32Å; D517-S519 WeakPolarHBondContact OD1-CB 3.26Å; D517-S519 PolarHBondContact OD1-N 3.48Å; D517-S519 PolarHBondContact OD1-OG 3.25Å; D517-S519 PolarHBondContact OD2-OG 2.88Å; D517-S519 VanDerWaalsContact OD2-OG 3.14Å
520	S	95.9	Very high	95.7	Very high	31 Å²	31	68 Å²	68	22%	0.217	37%	0.366	C	S	.	.	S	Bend	trans	-73.6	141.3	-178.5	-175.3	0	0	0	0	112	D517 S522 F523 Q524	D517-S520 WeakPolarHBondContact O-CB 3.32Å; D517-S520 PolarHBondContact O-N 2.79Å; S520-S522 PolarHBondContact O-N 3.45Å; S520-S522 PolarHBondContact OG-N 3.29Å; S520-S522 PolarHBondContact OG-OG 3.47Å; S520-S522 VanDerWaalsContact OG-OG 3.1Å; S520-F523 PolarHBondContact O-N 3.03Å; S520-Q524 WeakPolarHBondContact O-CG 3.48Å; S520-Q524 PolarHBondContact O-NE2 3.01Å
521	S	95.5	Very high	95.7	Very high	73 Å²	73	68.1 Å²	68.1	51%	0.51	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.6	172.3	54.1	0	0	0	0	113.2	F523 Q524	S521-F523 PolarHBondContact O-N 3.39Å; S521-Q524 PolarHBondContact O-N 3.33Å
522	S	96.6	Very high	95.5	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.042	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.2	179.8	-48.2	0	0	0	0	113.5	S520 N531 I532	S520-S522 PolarHBondContact O-N 3.45Å; S520-S522 PolarHBondContact OG-N 3.29Å; S520-S522 PolarHBondContact OG-OG 3.47Å; S520-S522 VanDerWaalsContact OG-OG 3.1Å; S522-N531 WeakPolarHBondContact O-CB 3.38Å; S522-N531 PolarHBondContact O-ND2 2.65Å; S522-I532 VanDerWaalsContact CB-O 3.26Å; S522-I532 WeakPolarHBondContact CB-O 3.49Å; S522-I532 PolarHBondContact OG-O 3.21Å
523	F	97.8	Very high	95.4	Very high	3 Å²	3	66.8 Å²	66.8	1%	0.013	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-116.1	2.8	-171.6	-50.7	-70.5	0	0	0	113.8	F478 V480 P492 F493 F514 P516 D517 S520 S521	F478-F523 HydrophobicContact CD1-CE1 4.17Å; F478-F523 HydrophobicContact CE1-CE1 4.4Å; V480-F523 HydrophobicContact CG2-CD1 4.15Å; P492-F523 CarbonylContact C-O 3.57Å; P492-F523 WeakPolarHBondContact CA-O 3.45Å; P492-F523 VanDerWaalsContact CB-O 3.3Å; P492-F523 WeakPolarHBondContact CB-O 3.32Å; F493-F523 HydrophobicContact CB-CB 4.29Å; F493-F523 AromaticContact CD1-CD1 3.89Å; F493-F523 HydrophobicContact CD1-CD1 3.89Å; F493-F523 PolarHBondContact N-O 3.04Å; F514-F523 HydrophobicContact CE2-CE1 4.07Å; F514-F523 AromaticContact CE2-CZ 3.79Å; F514-F523 HydrophobicContact CE2-CZ 3.79Å; P516-F523 HydrophobicContact CB-CB 4.29Å; P516-F523 HydrophobicContact CB-CD1 3.77Å; P516-F523 HydrophobicContact CB-CD2 3.82Å; P516-F523 HydrophobicContact CB-CE1 3.96Å; P516-F523 HydrophobicContact CB-CE2 4.03Å; P516-F523 HydrophobicContact CB-CG 3.69Å; P516-F523 HydrophobicContact CB-CZ 4.09Å; P516-F523 HydrophobicContact CG-CD1 4.14Å; P516-F523 HydrophobicContact CG-CE1 4.14Å; D517-F523 WeakPolarHBondContact O-CD2 3.42Å; S520-F523 PolarHBondContact O-N 3.03Å; S521-F523 PolarHBondContact O-N 3.39Å
524	Q	97.4	Very high	95.4	Very high	69 Å²	69	66.5 Å²	66.5	32%	0.322	36%	0.359	S	S	.	.	S	Bend	trans	-69.8	166.2	170.4	-54.5	-51.5	-44	0	0	110.8	I518 S520 S521 P526 N531	I518-Q524 PolarHBondContact O-NE2 3.49Å; S520-Q524 WeakPolarHBondContact O-CG 3.48Å; S520-Q524 PolarHBondContact O-NE2 3.01Å; S521-Q524 PolarHBondContact O-N 3.33Å; Q524-P526 WeakPolarHBondContact O-CD 3.37Å; Q524-N531 PolarHBondContact O-ND2 2.98Å
525	R	97.6	Very high	95.3	Very high	131 Å²	131	65.7 Å²	65.7	49%	0.494	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-57.8	123.6	174.9	-175.5	173.3	174	-168.8	-2.6	110.5	W491 V527	W491-R525 HydrophobicContact CB-CB 4.33Å; W491-R525 HydrophobicContact CD2-CB 3.63Å; W491-R525 HydrophobicContact CD2-CG 4.06Å; W491-R525 VanDerWaalsContact CE3-CA 3.47Å; W491-R525 HydrophobicContact CE3-CB 4.07Å; W491-R525 HydrophobicContact CG-CB 3.73Å; W491-R525 HydrophobicContact CG-CG 4.24Å; W491-R525 HydrophobicContact CZ2-CG 4.2Å; R525-V527 PolarHBondContact O-N 3.01Å
526	P	96.9	Very high	95.3	Very high	8 Å²	8	58.5 Å²	58.5	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-60.2	133	-178.2	-27.1	35.2	0	0	0	113.7	V480 R482 W491 Q524 S528 N531	V480-P526 HydrophobicContact CG1-CG 3.8Å; R482-P526 HydrophobicContact CB-CB 3.85Å; R482-P526 HydrophobicContact CG-CB 4.46Å; W491-P526 HydrophobicContact CH2-CG 4.19Å; Q524-P526 WeakPolarHBondContact O-CD 3.37Å; P526-S528 WeakPolarHBondContact CB-O 3.43Å; P526-N531 WeakPolarHBondContact CA-OD1 3.27Å
527	V	93.3	Very high	95.3	Very high	125 Å²	125	60 Å²	60	76%	0.758	35%	0.346	S	S	*	.	S	Bend	trans	-99.5	-47.2	171.9	-177.5	0	0	0	0	109.5	R482 R525	R482-V527 PolarHBondContact NH1-O 3.3Å; R525-V527 PolarHBondContact O-N 3.01Å
528	S	93.5	Very high	95.5	Very high	71 Å²	71	60.4 Å²	60.4	50%	0.497	35%	0.348	S	S	.	.	S	Bend	trans	-82.8	171.1	166.5	44.4	0	0	0	0	112.1	P526 M530	P526-S528 WeakPolarHBondContact CB-O 3.43Å; S528-M530 PolarHBondContact O-N 3.14Å; S528-M530 PolarHBondContact OG-O 3.04Å
529	D	93.1	Very high	95.7	Very high	123 Å²	123	56.2 Å²	56.2	66%	0.658	33%	0.326	S	S	*	.	S	Bend	trans	-60.1	-29.4	179.6	-65.5	-20.9	0	0	0	113.9	M481 R482	M481-D529 VanDerWaalsContact CA-O 3.32Å; M481-D529 WeakPolarHBondContact CA-O 3.5Å; R482-D529 PolarHBondContact N-O 2.95Å
530	M	96.2	Very high	95.9	Very high	68 Å²	68	51.7 Å²	51.7	34%	0.335	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-135.8	144	176.1	-62.7	-178.8	-176.7	0	0	109.7	F444 V479 M481 S528	F444-M530 HydrophobicContact CD1-CE 4.18Å; F444-M530 HydrophobicContact CD1-SD 4.02Å; F444-M530 HydrophobicContact CE1-CE 4.38Å; F444-M530 HydrophobicContact CE1-SD 3.66Å; F444-M530 HydrophobicContact CZ-SD 4.18Å; V479-M530 HydrophobicContact CG1-CB 3.88Å; V479-M530 HydrophobicContact CG1-CG 4.14Å; V479-M530 HydrophobicContact CG1-SD 4.39Å; M481-M530 HydrophobicContact CE-CE 3.61Å; M481-M530 HydrophobicContact CE-CG 4.06Å; M481-M530 HydrophobicContact CG-CG 4.25Å; M481-M530 HydrophobicContact SD-CE 4.48Å; S528-M530 PolarHBondContact O-N 3.14Å; S528-M530 PolarHBondContact OG-O 3.04Å
531	N	96.8	Very high	95.9	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.128	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-80.4	173.2	164.3	-75.6	-7.9	0	0	0	111.3	V480 S522 Q524 P526 A533	V480-N531 PolarHBondContact O-N 2.88Å; S522-N531 WeakPolarHBondContact O-CB 3.38Å; S522-N531 PolarHBondContact O-ND2 2.65Å; Q524-N531 PolarHBondContact O-ND2 2.98Å; P526-N531 WeakPolarHBondContact CA-OD1 3.27Å; N531-A533 PolarHBondContact O-N 3.09Å
532	I	93.9	Very high	95.9	Very high	114 Å²	114	49 Å²	49	59%	0.585	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.6	168.3	-64.3	167.4	0	0	0	108.9	S522	S522-I532 VanDerWaalsContact CB-O 3.26Å; S522-I532 WeakPolarHBondContact CB-O 3.49Å; S522-I532 PolarHBondContact OG-O 3.21Å
533	A	95.5	Very high	95.8	Very high	24 Å²	24	52.7 Å²	52.7	20%	0.198	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-70.6	139.3	-179.7	0	0	0	0	0	111.1	F477 F478 V479 N531	F477-A533 HydrophobicContact CB-CB 3.77Å; F477-A533 HydrophobicContact CG-CB 4.34Å; F478-A533 WeakPolarHBondContact O-CA 3.35Å; V479-A533 HydrophobicContact CG2-CB 3.72Å; N531-A533 PolarHBondContact O-N 3.09Å
534	S	95.7	Very high	95.6	Very high	35 Å²	35	56.6 Å²	56.6	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.3	179.8	-173.2	0	0	0	0	110.9	F478	F478-S534 PolarHBondContact N-O 3.13Å; F478-S534 PolarHBondContact O-N 2.73Å
535	G	93.8	Very high	95.3	Very high	24 Å²	24	53.6 Å²	53.6	25%	0.247	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-136.4	-170.7	0	0	0	0	0	112	P537	G535-P537 WeakPolarHBondContact O-CD 3.28Å
536	C	95.2	Very high	94.9	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	95.7	-153.5	-51.7	0	0	0	0	111.6	S475 L476 D512 L538 F539	S475-C536 WeakPolarHBondContact CA-O 3.35Å; L476-C536 PolarHBondContact N-O 2.67Å; L476-C536 VanDerWaalsContact N-O 3.09Å; L476-C536 PolarHBondContact O-N 3.5Å; D512-C536 VanDerWaalsContact CG-SG 3.52Å; D512-C536 PolarHBondContact OD2-SG 2.95Å; C536-L538 VanDerWaalsContact C-N 3.26Å; C536-L538 PolarHBondContact O-N 2.9Å; C536-F539 HydrophobicContact CB-CB 3.87Å; C536-F539 HydrophobicContact CB-CD2 4.01Å; C536-F539 HydrophobicContact CB-CG 4.37Å; C536-F539 WeakPolarHBondContact O-CB 3.43Å; C536-F539 PolarHBondContact O-N 3.04Å
537	P	95.5	Very high	94.4	Very high	40 Å²	40	55.1 Å²	55.1	26%	0.26	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-33.8	174.9	-25.9	34.9	0	0	0	113.7	T468 S475 F477 G535	T468-P537 WeakPolarHBondContact OG1-CB 3.39Å; S475-P537 WeakPolarHBondContact CB-O 3.1Å; S475-P537 PolarHBondContact OG-O 3.09Å; F477-P537 HydrophobicContact CE1-CG 4.05Å; F477-P537 HydrophobicContact CZ-CG 4.16Å; G535-P537 WeakPolarHBondContact O-CD 3.28Å
538	L	97.3	Very high	94.1	Very high	94 Å²	94	59.7 Å²	59.7	49%	0.492	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	32.5	-175.8	-57.9	176.3	0	0	0	112.8	G469 H473 C536 C540	G469-L538 VanDerWaalsContact CA-CD2 3.48Å; H473-L538 HydrophobicContact CB-CD2 4.36Å; H473-L538 PolarHBondContact CD2-O 3.36Å; C536-L538 VanDerWaalsContact C-N 3.26Å; C536-L538 PolarHBondContact O-N 2.9Å; L538-C540 PolarHBondContact O-N 3.02Å
539	F	98	Very high	94	Very high	11 Å²	11	58.5 Å²	58.5	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-44.3	-167.8	-177.2	-111.1	0	0	0	114.8	L474 L476 L499 L501 I510 D512 C536	L474-F539 HydrophobicContact CD2-CD1 3.9Å; L474-F539 WeakPolarHBondContact O-CB 3.42Å; L474-F539 PolarHBondContact O-N 3.09Å; L476-F539 HydrophobicContact CB-CB 4.2Å; L476-F539 HydrophobicContact CB-CD1 3.79Å; L476-F539 HydrophobicContact CB-CE1 4.32Å; L476-F539 HydrophobicContact CB-CG 3.95Å; L476-F539 HydrophobicContact CD2-CD1 3.97Å; L476-F539 HydrophobicContact CD2-CE1 3.6Å; L476-F539 HydrophobicContact CD2-CE2 4.37Å; L476-F539 HydrophobicContact CD2-CG 4.5Å; L476-F539 HydrophobicContact CD2-CZ 3.84Å; L499-F539 HydrophobicContact CB-CE2 3.98Å; L499-F539 HydrophobicContact CB-CZ 4.24Å; L501-F539 HydrophobicContact CB-CE1 3.98Å; I510-F539 HydrophobicContact CG2-CZ 4.5Å; I510-F539 WeakPolarHBondContact CG2-O 3.29Å; D512-F539 HydrophobicContact CB-CD2 3.73Å; D512-F539 HydrophobicContact CB-CE2 3.66Å; C536-F539 HydrophobicContact CB-CB 3.87Å; C536-F539 HydrophobicContact CB-CD2 4.01Å; C536-F539 HydrophobicContact CB-CG 4.37Å; C536-F539 WeakPolarHBondContact O-CB 3.43Å; C536-F539 PolarHBondContact O-N 3.04Å
540	C	97.4	Very high	94.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.6	175.5	175.8	0	0	0	0	111.1	H473 L474 L501 I510 L538 L542	H473-C540 CarbonylContact C-O 3.49Å; H473-C540 VanDerWaalsContact CA-O 3.24Å; H473-C540 WeakPolarHBondContact CA-O 3.28Å; L474-C540 HydrophobicContact CB-CB 4.36Å; L474-C540 PolarHBondContact N-O 2.94Å; L474-C540 PolarHBondContact O-N 3.41Å; L501-C540 HydrophobicContact CD2-CB 4.49Å; I510-C540 HydrophobicContact CD1-CB 4.12Å; I510-C540 WeakPolarHBondContact CD1-SG 3.24Å; L538-C540 PolarHBondContact O-N 3.02Å; C540-L542 PolarHBondContact O-N 2.89Å
541	P	97.1	Very high	94.1	Very high	41 Å²	41	51.5 Å²	51.5	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	133.4	172.6	-22.9	32.3	0	0	0	111.4	S543 K544	P541-S543 PolarHBondContact O-N 3.22Å; P541-K544 WeakPolarHBondContact O-CB 3.5Å; P541-K544 PolarHBondContact O-N 2.86Å; P541-K544 VanDerWaalsContact O-N 3.11Å
542	L	95.8	Very high	94.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.7	-179	-68.4	177.4	0	0	0	112.2	T472 L474 C540 K544 L545 D546	T472-L542 WeakPolarHBondContact O-CB 3.21Å; T472-L542 WeakPolarHBondContact O-CG 3.5Å; T472-L542 PolarHBondContact O-N 3Å; L474-L542 HydrophobicContact CB-CD2 4.04Å; C540-L542 PolarHBondContact O-N 2.89Å; L542-K544 PolarHBondContact O-N 3.31Å; L542-L545 HydrophobicContact CD2-CD1 4.36Å; L542-L545 CarbonylContact O-C 3.52Å; L542-L545 WeakPolarHBondContact O-CA 3.4Å; L542-L545 WeakPolarHBondContact O-CB 3.4Å; L542-L545 PolarHBondContact O-N 3.47Å; L542-D546 PolarHBondContact O-N 3.06Å; L542-D546 VanDerWaalsContact O-OD2 3.08Å
543	S	94.5	Very high	94.2	Very high	82 Å²	82	50.7 Å²	50.7	57%	0.573	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-28.3	173.6	55.4	0	0	0	0	114.4	P541 L545 S547	P541-S543 PolarHBondContact O-N 3.22Å; S543-L545 PolarHBondContact O-N 3.19Å; S543-S547 WeakPolarHBondContact O-CB 3.48Å; S543-S547 PolarHBondContact O-N 3.3Å; S543-S547 PolarHBondContact O-OG 2.88Å
544	K	93.3	Very high	94.1	Very high	85 Å²	85	56.9 Å²	56.9	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-71.1	-18.5	170.9	-75.8	-162.6	177.6	-167.1	0	113	I510 P541 L542 N549	I510-K544 HydrophobicContact CD1-CD 4.03Å; P541-K544 WeakPolarHBondContact O-CB 3.5Å; P541-K544 PolarHBondContact O-N 2.86Å; P541-K544 VanDerWaalsContact O-N 3.11Å; L542-K544 PolarHBondContact O-N 3.31Å; K544-N549 VanDerWaalsContact O-CB 3.31Å; K544-N549 WeakPolarHBondContact O-CB 3.42Å
545	L	91.9	Very high	94.2	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-100	-26.3	178.5	-55.9	-177.5	0	0	0	112.7	F428 L474 L501 L542 S543 N549 Y551 I552	F428-L545 HydrophobicContact CZ-CD1 4.19Å; L474-L545 HydrophobicContact CB-CD1 4.4Å; L474-L545 HydrophobicContact CD1-CD1 3.98Å; L501-L545 HydrophobicContact CD2-CD2 3.9Å; L542-L545 HydrophobicContact CD2-CD1 4.36Å; L542-L545 CarbonylContact O-C 3.52Å; L542-L545 WeakPolarHBondContact O-CA 3.4Å; L542-L545 WeakPolarHBondContact O-CB 3.4Å; L542-L545 PolarHBondContact O-N 3.47Å; S543-L545 PolarHBondContact O-N 3.19Å; L545-N549 PolarHBondContact O-ND2 3.22Å; L545-Y551 HydrophobicContact CD2-CD2 4.2Å; L545-Y551 HydrophobicContact CD2-CG 4.39Å; L545-I552 HydrophobicContact CB-CD1 4.06Å
546	D	87.9	Confident	94.3	Very high	104 Å²	104	57.3 Å²	57.3	56%	0.556	30%	0.302	S	S	*	.	H	α-helix	trans	-80.9	-27.9	176.5	-66.8	-41	0	0	0	113.2	R432 L542	R432-D546 IonicContact CZ-OD1 3.26Å; R432-D546 IonicContact CZ-OD2 3.95Å; R432-D546 IonicContact NH1-OD1 3.87Å; R432-D546 PolarHBondContact NH1-OD1 3.22Å; R432-D546 VanDerWaalsContact NH2-CG 3.26Å; R432-D546 IonicContact NH2-OD1 2.77Å; R432-D546 PolarHBondContact NH2-OD1 2.73Å; R432-D546 IonicContact NH2-OD2 3.29Å; R432-D546 PolarHBondContact NH2-OD2 3.17Å; L542-D546 PolarHBondContact O-N 3.06Å; L542-D546 VanDerWaalsContact O-OD2 3.08Å
547	S	86.3	Confident	94.5	Very high	66 Å²	66	56.8 Å²	56.8	46%	0.462	30%	0.298	S	S	.	.	S	Bend	trans	-78.6	163.3	172.1	53	0	0	0	0	111.7	S543 N549	S543-S547 WeakPolarHBondContact O-CB 3.48Å; S543-S547 PolarHBondContact O-N 3.3Å; S543-S547 PolarHBondContact O-OG 2.88Å; S547-N549 PolarHBondContact O-N 3.35Å; S547-N549 PolarHBondContact O-ND2 3.34Å
548	K	86.5	Confident	94.6	Very high	222 Å²	222	57.5 Å²	57.5	97%	0.965	30%	0.298	S	S	*	.	S	Bend	trans	-61.1	106.1	176.7	-176.8	179.3	-179.1	178	0	109.8
549	N	92.1	Very high	94.7	Very high	45 Å²	45	53 Å²	53	24%	0.241	27%	0.274	C	S	.	.			trans	-129.2	177.6	-172.7	72.8	85.5	0	0	0	111.7	K544 L545 S547 Y551 I552	K544-N549 VanDerWaalsContact O-CB 3.31Å; K544-N549 WeakPolarHBondContact O-CB 3.42Å; L545-N549 PolarHBondContact O-ND2 3.22Å; S547-N549 PolarHBondContact O-N 3.35Å; S547-N549 PolarHBondContact O-ND2 3.34Å; N549-Y551 HydrophobicContact CB-CD2 3.89Å; N549-Y551 HydrophobicContact CB-CE2 4.44Å; N549-Y551 WeakPolarHBondContact OD1-CB 3.49Å; N549-Y551 PolarHBondContact OD1-N 3.41Å; N549-I552 PolarHBondContact OD1-N 3.34Å
550	S	95.3	Very high	94.7	Very high	26 Å²	26	55.1 Å²	55.1	18%	0.182	28%	0.283	C	S	.	.	S	Bend	trans	-120.4	7.9	178.5	50.3	0	0	0	0	114.2	D503 Q504 N505 R553	D503-S550 WeakPolarHBondContact OD1-CB 3.49Å; D503-S550 PolarHBondContact OD1-OG 3.4Å; Q504-S550 WeakPolarHBondContact CB-O 3.29Å; Q504-S550 PolarHBondContact N-O 3.2Å; N505-S550 VanDerWaalsContact ND2-CB 3.26Å; N505-S550 WeakPolarHBondContact ND2-CB 3.32Å; S550-R553 PolarHBondContact O-NH2 2.9Å
551	Y	96.4	Very high	94.7	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.075	28%	0.283	C	S	.	.	S	Bend	trans	-78.5	-37.4	172.1	-52.9	-76.4	0	0	0	111.8	L501 D503 Q504 E508 I510 L545 N549	L501-Y551 HydrophobicContact CD2-CD1 4.05Å; L501-Y551 HydrophobicContact CD2-CG 4.09Å; L501-Y551 HydrophobicContact CG-CD1 3.89Å; L501-Y551 HydrophobicContact CG-CG 4.32Å; D503-Y551 HydrophobicContact CB-CD1 3.94Å; D503-Y551 HydrophobicContact CB-CE1 3.73Å; Q504-Y551 PolarHBondContact NE2-O 2.77Å; E508-Y551 WeakPolarHBondContact O-CE1 3.2Å; E508-Y551 PolarHBondContact O-OH 3.48Å; I510-Y551 HydrophobicContact CD1-CE1 4.08Å; I510-Y551 HydrophobicContact CD1-CE2 4.31Å; I510-Y551 HydrophobicContact CG1-CE1 3.89Å; L545-Y551 HydrophobicContact CD2-CD2 4.2Å; L545-Y551 HydrophobicContact CD2-CG 4.39Å; N549-Y551 HydrophobicContact CB-CD2 3.89Å; N549-Y551 HydrophobicContact CB-CE2 4.44Å; N549-Y551 WeakPolarHBondContact OD1-CB 3.49Å; N549-Y551 PolarHBondContact OD1-N 3.41Å
552	I	96.6	Very high	94.8	Very high	38 Å²	38	55.8 Å²	55.8	20%	0.195	28%	0.284	C	S	.	.			trans	-98.5	125.5	173.7	-56.8	161.4	0	0	0	109.1	F428 L545 N549 T556 I557	F428-I552 HydrophobicContact CD1-CD1 3.84Å; F428-I552 HydrophobicContact CD1-CG1 4.13Å; F428-I552 HydrophobicContact CD1-CG2 4.43Å; F428-I552 HydrophobicContact CE1-CD1 3.43Å; F428-I552 VanDerWaalsContact CE1-CD1 3.43Å; F428-I552 HydrophobicContact CE1-CG1 4.05Å; F428-I552 HydrophobicContact CZ-CD1 4.11Å; L545-I552 HydrophobicContact CB-CD1 4.06Å; N549-I552 PolarHBondContact OD1-N 3.34Å; I552-T556 WeakPolarHBondContact CA-O 3.4Å; I552-I557 HydrophobicContact CB-CG2 4.28Å; I552-I557 HydrophobicContact CG1-CG2 3.51Å
553	R	95.4	Very high	94.9	Very high	83 Å²	83	55.5 Å²	55.5	31%	0.313	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-148.8	143.1	171.6	-119.1	-177.2	-69.9	-151.9	-17.9	109	Q504 N505 S550 D555 T556	Q504-R553 VanDerWaalsContact CB-NH2 3.32Å; Q504-R553 PolarHBondContact O-NH2 2.85Å; N505-R553 VanDerWaalsContact OD1-CZ 3.29Å; N505-R553 PolarHBondContact OD1-NH1 3.04Å; N505-R553 PolarHBondContact OD1-NH2 3.42Å; S550-R553 PolarHBondContact O-NH2 2.9Å; R553-D555 PolarHBondContact O-N 3.32Å; R553-T556 PolarHBondContact N-O 3.32Å; R553-T556 VanDerWaalsContact N-O 3.08Å; R553-T556 WeakPolarHBondContact O-CA 3.39Å; R553-T556 VanDerWaalsContact O-CB 3.24Å; R553-T556 WeakPolarHBondContact O-CB 3.5Å; R553-T556 PolarHBondContact O-N 3.15Å; R553-T556 VanDerWaalsContact O-O 3.09Å
554	D	94.8	Very high	95.1	Very high	153 Å²	153	53.9 Å²	53.9	82%	0.818	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	47.2	-178.3	-50.6	-34.7	0	0	0	112.5	T556	D554-T556 PolarHBondContact O-N 2.76Å; D554-T556 PolarHBondContact O-OG1 3.27Å
555	D	96.1	Very high	95.2	Very high	57 Å²	57	53.2 Å²	53.2	31%	0.305	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	34.8	-171.3	-158.5	31.9	0	0	0	114.8	S426 D427 F428 T429 R553	S426-D555 CarbonylContact C-O 3.55Å; D427-D555 VanDerWaalsContact CA-OD2 3.23Å; D427-D555 WeakPolarHBondContact CA-OD2 3.25Å; D427-D555 PolarHBondContact N-O 3.18Å; F428-D555 WeakPolarHBondContact CB-O 3.45Å; F428-D555 PolarHBondContact N-O 3.5Å; F428-D555 PolarHBondContact N-OD1 3.41Å; F428-D555 PolarHBondContact N-OD2 3.41Å; T429-D555 VanDerWaalsContact CB-OD1 3.22Å; T429-D555 WeakPolarHBondContact CB-OD1 3.34Å; T429-D555 PolarHBondContact N-OD1 3.44Å; T429-D555 PolarHBondContact N-OD2 3.2Å; T429-D555 PolarHBondContact OG1-OD1 2.96Å; R553-D555 PolarHBondContact O-N 3.32Å
556	T	97.6	Very high	95.2	Very high	11 Å²	11	58.1 Å²	58.1	7%	0.067	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-131.3	140.5	-172.4	-59.5	0	0	0	0	111.3	K424 I425 Q504 I552 R553 D554 F558	K424-T556 HydrophobicContact CD-CG2 4.22Å; K424-T556 HydrophobicContact CG-CG2 3.6Å; I425-T556 VanDerWaalsContact O-CA 3.29Å; I425-T556 WeakPolarHBondContact O-CA 3.27Å; Q504-T556 PolarHBondContact NE2-O 2.93Å; I552-T556 WeakPolarHBondContact CA-O 3.4Å; R553-T556 PolarHBondContact N-O 3.32Å; R553-T556 VanDerWaalsContact N-O 3.08Å; R553-T556 WeakPolarHBondContact O-CA 3.39Å; R553-T556 VanDerWaalsContact O-CB 3.24Å; R553-T556 WeakPolarHBondContact O-CB 3.5Å; R553-T556 PolarHBondContact O-N 3.15Å; R553-T556 VanDerWaalsContact O-O 3.09Å; D554-T556 PolarHBondContact O-N 2.76Å; D554-T556 PolarHBondContact O-OG1 3.27Å; T556-F558 HydrophobicContact CG2-CD2 4.31Å; T556-F558 HydrophobicContact CG2-CE2 3.77Å; T556-F558 HydrophobicContact CG2-CZ 3.96Å
557	I	98.1	Very high	95.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.2	163.7	64.6	165.5	0	0	0	111.4	I425 F428 L474 L501 I552 I559	I425-I557 HydrophobicContact CB-CG1 3.84Å; I425-I557 HydrophobicContact CD1-CD1 4.12Å; I425-I557 HydrophobicContact CD1-CG1 4.25Å; I425-I557 HydrophobicContact CG1-CG1 4.46Å; I425-I557 HydrophobicContact CG2-CG1 4.5Å; I425-I557 PolarHBondContact N-O 3.48Å; I425-I557 PolarHBondContact O-N 2.88Å; F428-I557 HydrophobicContact CD2-CB 4.47Å; F428-I557 HydrophobicContact CD2-CD1 3.76Å; F428-I557 HydrophobicContact CD2-CG1 3.8Å; F428-I557 HydrophobicContact CD2-CG2 3.91Å; F428-I557 HydrophobicContact CE2-CD1 3.63Å; F428-I557 HydrophobicContact CE2-CG1 4.17Å; F428-I557 HydrophobicContact CE2-CG2 4.1Å; F428-I557 HydrophobicContact CG-CG2 4.26Å; L474-I557 HydrophobicContact CD1-CD1 4.42Å; L501-I557 HydrophobicContact CD1-CB 4.03Å; L501-I557 HydrophobicContact CD1-CD1 4.18Å; L501-I557 HydrophobicContact CD1-CG2 4.46Å; I552-I557 HydrophobicContact CB-CG2 4.28Å; I552-I557 HydrophobicContact CG1-CG2 3.51Å; I557-I559 HydrophobicContact CD1-CD1 4.28Å; I557-I559 HydrophobicContact CD1-CG1 4.49Å
558	F	98.4	Very high	95.1	Very high	56 Å²	56	58.7 Å²	58.7	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	175.2	-63.6	-95.2	0	0	0	110.8	I422 W423 K424 L502 Q504 T556	I422-F558 HydrophobicContact CG2-CD1 4.13Å; W423-F558 WeakPolarHBondContact O-CA 3.48Å; K424-F558 HydrophobicContact CB-CD1 3.95Å; K424-F558 HydrophobicContact CB-CE1 3.75Å; K424-F558 HydrophobicContact CD-CE1 3.94Å; K424-F558 HydrophobicContact CD-CZ 4.14Å; K424-F558 HydrophobicContact CG-CD1 4.17Å; K424-F558 HydrophobicContact CG-CE1 3.61Å; K424-F558 HydrophobicContact CG-CZ 4Å; L502-F558 HydrophobicContact CB-CB 4.2Å; L502-F558 HydrophobicContact CD1-CB 4.06Å; L502-F558 HydrophobicContact CG-CB 4.38Å; L502-F558 PolarHBondContact N-O 3.42Å; Q504-F558 HydrophobicContact CG-CD2 3.96Å; Q504-F558 HydrophobicContact CG-CE2 4.34Å; T556-F558 HydrophobicContact CG2-CD2 4.31Å; T556-F558 HydrophobicContact CG2-CE2 3.77Å; T556-F558 HydrophobicContact CG2-CZ 3.96Å
559	I	98.4	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134	170.8	-58	-61.2	0	0	0	108.3	I422 W423 I425 L459 I461 L476 M500 L501 I557	I422-I559 CarbonylContact C-O 3.58Å; I422-I559 WeakPolarHBondContact CA-O 3.46Å; W423-I559 HydrophobicContact CB-CB 4.36Å; W423-I559 HydrophobicContact CE3-CB 4.46Å; W423-I559 PolarHBondContact N-O 3.4Å; W423-I559 PolarHBondContact O-N 2.94Å; I425-I559 HydrophobicContact CD1-CG1 4.18Å; L459-I559 HydrophobicContact CD1-CG2 3.67Å; I461-I559 HydrophobicContact CD1-CD1 4.08Å; I461-I559 HydrophobicContact CD1-CG1 3.96Å; L476-I559 HydrophobicContact CD1-CG2 4.16Å; L476-I559 HydrophobicContact CD2-CD1 4.43Å; L476-I559 HydrophobicContact CD2-CG2 3.62Å; M500-I559 CarbonylContact O-C 3.56Å; M500-I559 VanDerWaalsContact O-CA 3.31Å; M500-I559 WeakPolarHBondContact O-CA 3.45Å; L501-I559 HydrophobicContact CB-CD1 4.1Å; L501-I559 HydrophobicContact CD1-CD1 3.76Å; I557-I559 HydrophobicContact CD1-CD1 4.28Å; I557-I559 HydrophobicContact CD1-CG1 4.49Å
560	K	98.4	Very high	95.7	Very high	55 Å²	55	50.8 Å²	50.8	24%	0.239	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.8	172.6	-176.7	176.5	-176.5	-174.3	0	110.2	F421 I422 L499 M500 L502 I562	F421-K560 CarbonylContact O-C 3.58Å; F421-K560 VanDerWaalsContact O-CA 3.27Å; F421-K560 WeakPolarHBondContact O-CA 3.43Å; I422-K560 HydrophobicContact CD1-CD 4.46Å; I422-K560 HydrophobicContact CG1-CB 4.3Å; I422-K560 HydrophobicContact CG1-CD 4.21Å; I422-K560 HydrophobicContact CG1-CG 3.95Å; L499-K560 CarbonylContact C-O 3.58Å; M500-K560 HydrophobicContact CB-CB 4.2Å; M500-K560 PolarHBondContact N-O 3.15Å; M500-K560 PolarHBondContact O-N 2.73Å; M500-K560 HydrophobicContact SD-CB 4.35Å; M500-K560 HydrophobicContact SD-CD 3.99Å; M500-K560 HydrophobicContact SD-CG 4.32Å; L502-K560 HydrophobicContact CD1-CB 4.16Å; L502-K560 HydrophobicContact CD2-CB 3.98Å; L502-K560 HydrophobicContact CD2-CD 4.3Å; L502-K560 HydrophobicContact CG-CB 4.12Å; K560-I562 HydrophobicContact CD-CD1 4.42Å; K560-I562 HydrophobicContact CD-CG1 4.45Å; K560-I562 HydrophobicContact CG-CG1 4.3Å
561	A	98.5	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144	167.1	0	0	0	0	0	110	F421 F448 L459 T498 L499	F421-A561 PolarHBondContact N-O 3.37Å; F421-A561 PolarHBondContact O-N 3.26Å; F448-A561 HydrophobicContact CE2-CB 4.43Å; F448-A561 HydrophobicContact CZ-CB 3.93Å; L459-A561 HydrophobicContact CD1-CB 3.98Å; L459-A561 HydrophobicContact CD2-CB 3.96Å; L459-A561 HydrophobicContact CG-CB 4.41Å; T498-A561 CarbonylContact O-C 3.58Å; T498-A561 WeakPolarHBondContact O-CA 3.08Å; L499-A561 HydrophobicContact CD2-CB 3.95Å
562	I	98.5	Very high	95.6	Very high	54 Å²	54	54.1 Å²	54.1	28%	0.277	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.5	173.7	-54.4	175.4	0	0	0	107.3	G419 V420 T498 M500 K560	G419-I562 CarbonylContact O-C 3.59Å; G419-I562 WeakPolarHBondContact O-CA 3.42Å; V420-I562 HydrophobicContact CG2-CG2 4.39Å; T498-I562 PolarHBondContact N-O 3.14Å; T498-I562 PolarHBondContact O-N 3.33Å; M500-I562 HydrophobicContact SD-CD1 4.18Å; K560-I562 HydrophobicContact CD-CD1 4.42Å; K560-I562 HydrophobicContact CD-CG1 4.45Å; K560-I562 HydrophobicContact CG-CG1 4.3Å
563	V	98.4	Very high	95.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.8	173.8	-179.3	0	0	0	0	108.2	G419 F448 T450 M457 F478 F493 Q495 V497 L565	G419-V563 PolarHBondContact O-N 2.81Å; F448-V563 HydrophobicContact CE2-CG2 4.07Å; T450-V563 HydrophobicContact CG2-CB 4.41Å; T450-V563 HydrophobicContact CG2-CG1 3.83Å; M457-V563 HydrophobicContact CE-CG2 4.33Å; M457-V563 HydrophobicContact SD-CG1 4.38Å; M457-V563 HydrophobicContact SD-CG2 3.82Å; F478-V563 HydrophobicContact CE2-CG2 3.98Å; F478-V563 HydrophobicContact CZ-CG2 4.47Å; F493-V563 HydrophobicContact CE2-CG1 4.24Å; F493-V563 HydrophobicContact CZ-CG1 3.84Å; Q495-V563 HydrophobicContact CB-CG1 3.6Å; Q495-V563 HydrophobicContact CG-CG1 4.26Å; V497-V563 HydrophobicContact CG2-CG2 4.5Å; V563-L565 PolarHBondContact O-N 3.01Å
564	D	97.5	Very high	95.6	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	30%	0.302	S	S	.	.			trans	-62	125.1	177.1	-176.4	-3.1	0	0	0	110.3	Q495 K496 T566	Q495-D564 VanDerWaalsContact CB-O 3.32Å; Q495-D564 WeakPolarHBondContact CB-O 3.48Å; Q495-D564 WeakPolarHBondContact CG-O 3.45Å; Q495-D564 PolarHBondContact NE2-O 2.81Å; K496-D564 HydrophobicContact CB-CB 3.87Å; K496-D564 PolarHBondContact O-N 3.01Å; D564-T566 WeakPolarHBondContact OD1-CB 3.4Å; D564-T566 PolarHBondContact OD1-N 3.29Å; D564-T566 PolarHBondContact OD1-OG1 2.66Å
565	L	96.3	Very high	95.6	Very high	71 Å²	71	46.1 Å²	46.1	37%	0.372	27%	0.265	S	S	.	.			trans	-91.4	0.4	-179.6	-58.1	-172.5	0	0	0	113.3	D418 T450 V563 G567 L568	D418-L565 WeakPolarHBondContact O-CD1 3.28Å; T450-L565 HydrophobicContact CG2-CD2 4.12Å; T450-L565 WeakPolarHBondContact O-CD2 3.43Å; V563-L565 PolarHBondContact O-N 3.01Å; L565-G567 PolarHBondContact O-N 3.14Å; L565-G567 VanDerWaalsContact O-N 3.14Å; L565-L568 HydrophobicContact CD2-CD1 4.3Å; L565-L568 PolarHBondContact O-N 3.42Å
566	T	92.6	Very high	95.6	Very high	109 Å²	109	45.3 Å²	45.3	67%	0.669	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	118.5	-178.4	-54.6	0	0	0	0	111.1	Q495 D564	Q495-T566 PolarHBondContact NE2-O 3.44Å; D564-T566 WeakPolarHBondContact OD1-CB 3.4Å; D564-T566 PolarHBondContact OD1-N 3.29Å; D564-T566 PolarHBondContact OD1-OG1 2.66Å
567	G	85.6	Confident	95.4	Very high	62 Å²	62	48.2 Å²	48.2	64%	0.639	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	8.3	176.7	0	0	0	0	0	116.4	L565	L565-G567 PolarHBondContact O-N 3.14Å; L565-G567 VanDerWaalsContact O-N 3.14Å
568	L	84.7	Confident	95.2	Very high	120 Å²	120	52.5 Å²	52.5	63%	0.628	30%	0.304	S	S	*	.			trans	-94.3	0	172.6	-61.5	-168.2	0	0	0	113.4	T450 Y455 Q495 L565	T450-L568 HydrophobicContact CG2-CD1 4.01Å; Y455-L568 HydrophobicContact CD2-CD1 4.16Å; Y455-L568 HydrophobicContact CE2-CD1 3.84Å; Y455-L568 HydrophobicContact CE2-CD2 3.7Å; Y455-L568 HydrophobicContact CE2-CG 4.45Å; Q495-L568 HydrophobicContact CG-CD1 3.93Å; Q495-L568 HydrophobicContact CG-CD2 4.2Å; Q495-L568 HydrophobicContact CG-CG 4.18Å; L565-L568 HydrophobicContact CD2-CD1 4.3Å; L565-L568 PolarHBondContact O-N 3.42Å

Retrieved 568 of 568 residues in 218.1 ms (Link to these results)

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