G4VNP8_SCHMA Loading...

DUF4206 domain-containing protein

AlphaFold DB , UniProt , Accession G4VNP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 440 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	39.3	Very low	32.2	Very low	246 Å²	246	122.7 Å²	122.7	100%	1.212	84%	0.841	S	S	*	*				0	99.4	0	-76.3	-68.3	165.1	0	0	107.3
2	S	36.1	Very low	31.8	Very low	132 Å²	132	123 Å²	123	92%	0.923	83%	0.825	S	S	*	*			trans	-74.7	147.4	-174.8	-38.7	0	0	0	0	110.8
3	G	36.1	Very low	31.3	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	82%	0.823	S	S	*	*			trans	133.7	62.1	162	0	0	0	0	0	115.2
4	V	37.8	Very low	30.9	Very low	145 Å²	145	133 Å²	133	88%	0.879	82%	0.822	S	S	*	*			trans	-95.8	88.2	159.6	-162.6	0	0	0	0	106.3	S6	V4-S6 PolarHBondContact O-N 3.35Å
5	G	31.4	Very low	30.6	Very low	74 Å²	74	133.8 Å²	133.8	76%	0.763	82%	0.818	S	S	*	*			trans	-74.7	104	176	0	0	0	0	0	109.8	A7	G5-A7 PolarHBondContact O-N 3.36Å; G5-A7 VanDerWaalsContact O-N 3.1Å
6	S	31.5	Very low	30.5	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	81%	0.812	S	S	*	*			trans	-68.9	100.4	168.6	-60	0	0	0	0	109	V4 S8	V4-S6 PolarHBondContact O-N 3.35Å; S6-S8 PolarHBondContact O-N 3.22Å
7	A	30.8	Very low	30.5	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	80%	0.799	S	S	*	*			trans	-68.1	111.5	170.5	0	0	0	0	0	109	G5 N9	G5-A7 PolarHBondContact O-N 3.36Å; G5-A7 VanDerWaalsContact O-N 3.1Å; A7-N9 PolarHBondContact O-N 3.23Å
8	S	31.5	Very low	30.4	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	80%	0.799	S	S	*	*			trans	-67.6	118.3	174.9	35.2	0	0	0	0	110.3	S6 A10	S6-S8 PolarHBondContact O-N 3.22Å; S8-A10 VanDerWaalsContact C-N 3.34Å; S8-A10 PolarHBondContact O-N 3.25Å
9	N	26.9	Very low	30.3	Very low	165 Å²	165	130.2 Å²	130.2	88%	0.882	79%	0.786	S	S	*	*			trans	-67	91.7	167.9	-79.9	-26	0	0	0	109.1	A7 S11	A7-N9 PolarHBondContact O-N 3.23Å; N9-S11 PolarHBondContact O-N 3.01Å
10	A	27.8	Very low	30.3	Very low	85 Å²	85	132.5 Å²	132.5	70%	0.702	79%	0.788	S	S	*	*			trans	-68.7	99.4	169.9	0	0	0	0	0	109.1	S8 I12	S8-A10 VanDerWaalsContact C-N 3.34Å; S8-A10 PolarHBondContact O-N 3.25Å; A10-I12 PolarHBondContact O-N 2.89Å
11	S	25.4	Very low	30.2	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	80%	0.795	S	S	*	*			trans	-61.1	95.8	165.3	174.7	0	0	0	0	108.9	N9 H13	N9-S11 PolarHBondContact O-N 3.01Å; S11-H13 PolarHBondContact O-N 2.71Å; S11-H13 VanDerWaalsContact O-N 3.12Å
12	I	27	Very low	29.8	Very low	126 Å²	126	129.3 Å²	129.3	65%	0.646	77%	0.769	S	S	*	*			trans	-80.7	93.5	170.5	-56.9	179.3	0	0	0	106.9	A10 R14	A10-I12 PolarHBondContact O-N 2.89Å; I12-R14 VanDerWaalsContact C-N 3.28Å; I12-R14 HydrophobicContact CG2-CG 3.71Å; I12-R14 PolarHBondContact O-N 2.65Å
13	H	25.2	Very low	29.6	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.796	76%	0.761	S	S	*	*			trans	-55.4	89.2	161	-119.7	-79.8	0	0	0	108.6	S11 N15	S11-H13 PolarHBondContact O-N 2.71Å; S11-H13 VanDerWaalsContact O-N 3.12Å; H13-N15 PolarHBondContact O-N 3.32Å
14	R	25.8	Very low	29.5	Very low	214 Å²	214	133 Å²	133	81%	0.808	75%	0.752	S	S	*	*			trans	-84.4	113.8	170.6	-74.9	-167.2	172.9	174	-2.1	108.8	I12 A16	I12-R14 VanDerWaalsContact C-N 3.28Å; I12-R14 HydrophobicContact CG2-CG 3.71Å; I12-R14 PolarHBondContact O-N 2.65Å; R14-A16 PolarHBondContact O-N 3.3Å
15	N	26.5	Very low	29.4	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	74%	0.736	S	S	*	*			trans	-53.6	121.5	172.8	-89	-33.7	0	0	0	110.6	H13 H17	H13-N15 PolarHBondContact O-N 3.32Å; N15-H17 PolarHBondContact O-N 3.41Å
16	A	28.8	Very low	29.7	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	28.4	-174.4	0	0	0	0	0	114.7	R14	R14-A16 PolarHBondContact O-N 3.3Å
17	H	30.8	Very low	30.3	Very low	127 Å²	127	130.6 Å²	130.6	59%	0.588	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-9.8	-168.9	-106.7	-58.5	0	0	0	116.3	N15 R67	N15-H17 PolarHBondContact O-N 3.41Å; H17-R67 PolarHBondContact CE1-NH1 3.19Å; H17-R67 PolarHBondContact NE2-NH1 2.92Å; H17-R67 VanDerWaalsContact NE2-NH1 3.13Å; H17-R67 PolarHBondContact NE2-NH2 2.99Å
18	D	29	Very low	31	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	66%	0.658	S	S	*	*	S	Bend	trans	-108.8	0.8	178.6	-73.2	-38.6	0	0	0	114.5	E20	D18-E20 PolarHBondContact O-N 2.64Å
19	D	28.5	Very low	31.7	Very low	104 Å²	104	123.2 Å²	123.2	56%	0.556	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	1.6	-170.2	-84	-32.3	0	0	0	115.6	K21 C22 R23	D19-K21 VanDerWaalsContact C-N 3.35Å; D19-K21 PolarHBondContact O-N 2.7Å; D19-C22 PolarHBondContact O-N 3.41Å; D19-R23 PolarHBondContact O-N 3.03Å
20	E	29.7	Very low	32.6	Very low	175 Å²	175	117.6 Å²	117.6	82%	0.818	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-28.7	175.5	-87.5	-167.8	156.8	0	0	113.2	D18	D18-E20 PolarHBondContact O-N 2.64Å
21	K	29.2	Very low	33.5	Very low	214 Å²	214	117.2 Å²	117.2	93%	0.93	58%	0.577	S	S	*	*	S	Bend	trans	-79.7	-24.2	173.3	-93.7	-175.6	176.9	-178.9	0	113.4	D19	D19-K21 VanDerWaalsContact C-N 3.35Å; D19-K21 PolarHBondContact O-N 2.7Å
22	C	30.5	Very low	34.3	Very low	99 Å²	99	114 Å²	114	67%	0.669	56%	0.561	S	S	*	*	S	Bend	trans	-103.1	10.6	-178.4	-150.4	0	0	0	0	113.1	D19 S24	D19-C22 PolarHBondContact O-N 3.41Å; C22-S24 PolarHBondContact O-N 2.74Å
23	R	30.8	Very low	35	Very low	203 Å²	203	109.6 Å²	109.6	77%	0.766	54%	0.54	S	S	*	.	S	Bend	trans	-67.2	83.7	171.8	-118.3	-178.9	177.3	-176.9	-0.5	109.7	D19	D19-R23 PolarHBondContact O-N 3.03Å
24	S	34.2	Very low	35.8	Very low	83 Å²	83	106.2 Å²	106.2	58%	0.58	53%	0.528	S	S	*	.			trans	56.5	83.7	146	-131.5	0	0	0	0	114.1	C22 Y26	C22-S24 PolarHBondContact O-N 2.74Å; S24-Y26 PolarHBondContact O-N 2.95Å; S24-Y26 WeakPolarHBondContact OG-CB 3.18Å
25	R	36.6	Very low	36.4	Very low	147 Å²	147	101.8 Å²	101.8	56%	0.555	52%	0.516	S	S	*	.			trans	-61	36.7	150.8	-80.5	-174.5	-89.8	175.9	-7.3	112.1	F27 T118	R25-F27 HydrophobicContact CB-CD2 3.9Å; R25-F27 HydrophobicContact CB-CE2 3.44Å; R25-F27 VanDerWaalsContact CB-CE2 3.44Å; R25-F27 HydrophobicContact CB-CZ 4.16Å; R25-F27 HydrophobicContact CG-CD2 4.34Å; R25-F27 HydrophobicContact CG-CE2 3.42Å; R25-F27 VanDerWaalsContact CG-CE2 3.42Å; R25-F27 HydrophobicContact CG-CZ 3.69Å; R25-F27 VanDerWaalsContact O-CD2 3.24Å; R25-F27 WeakPolarHBondContact O-CD2 3.42Å; R25-F27 PolarHBondContact O-N 3.37Å; R25-T118 HydrophobicContact CB-CG2 4.48Å; R25-T118 WeakPolarHBondContact CB-OG1 3.35Å
26	Y	36.4	Very low	37	Very low	98 Å²	98	97.4 Å²	97.4	38%	0.384	50%	0.497	S	S	.	.			trans	-77.4	70.6	167	-129.4	-100	0	0	0	105.5	S24 H30	S24-Y26 PolarHBondContact O-N 2.95Å; S24-Y26 WeakPolarHBondContact OG-CB 3.18Å; Y26-H30 HydrophobicContact CD1-CB 4.09Å; Y26-H30 AromaticContact CD1-CD2 3.08Å; Y26-H30 WeakPolarHBondContact CD1-CD2 3.41Å; Y26-H30 AromaticContact CD1-CG 3.65Å; Y26-H30 AromaticContact CD1-NE2 3.71Å; Y26-H30 HydrophobicContact CE1-CB 4.04Å; Y26-H30 AromaticContact CE1-CD2 3.35Å; Y26-H30 WeakPolarHBondContact CE1-CD2 3.41Å; Y26-H30 AromaticContact CE1-CG 3.53Å; Y26-H30 AromaticContact CE1-NE2 3.73Å; Y26-H30 AromaticContact CG-CD2 3.65Å; Y26-H30 AromaticContact CG-NE2 3.95Å
27	F	45.1	Very low	37.6	Very low	40 Å²	40	101.8 Å²	101.8	18%	0.175	50%	0.502	C	S	.	.			trans	-62.7	155.7	-176.9	-71.5	-72.6	0	0	0	110.6	R25 H29 H30 Y140 E174	R25-F27 HydrophobicContact CB-CD2 3.9Å; R25-F27 HydrophobicContact CB-CE2 3.44Å; R25-F27 VanDerWaalsContact CB-CE2 3.44Å; R25-F27 HydrophobicContact CB-CZ 4.16Å; R25-F27 HydrophobicContact CG-CD2 4.34Å; R25-F27 HydrophobicContact CG-CE2 3.42Å; R25-F27 VanDerWaalsContact CG-CE2 3.42Å; R25-F27 HydrophobicContact CG-CZ 3.69Å; R25-F27 VanDerWaalsContact O-CD2 3.24Å; R25-F27 WeakPolarHBondContact O-CD2 3.42Å; R25-F27 PolarHBondContact O-N 3.37Å; F27-H29 PolarHBondContact O-N 3.48Å; F27-H30 PolarHBondContact O-CD2 3.02Å; F27-H30 PolarHBondContact O-N 3.06Å; F27-Y140 HydrophobicContact CD2-CE1 4.03Å; F27-Y140 HydrophobicContact CD2-CE2 4.13Å; F27-Y140 AromaticContact CD2-CZ 3.52Å; F27-Y140 VanDerWaalsContact CD2-OH 3.23Å; F27-Y140 WeakPolarHBondContact CD2-OH 3.32Å; F27-Y140 HydrophobicContact CE2-CE1 4.28Å; F27-Y140 AromaticContact CE2-CZ 3.68Å; F27-Y140 WeakPolarHBondContact CE2-OH 3.42Å; F27-Y140 HydrophobicContact CG-CE2 4.3Å; F27-Y140 WeakPolarHBondContact CZ-OH 3.46Å; F27-E174 HydrophobicContact CD1-CB 3.67Å; F27-E174 HydrophobicContact CD1-CG 3.68Å; F27-E174 HydrophobicContact CE1-CB 3.82Å; F27-E174 HydrophobicContact CE1-CG 3.62Å; F27-E174 HydrophobicContact CG-CG 4.47Å; F27-E174 HydrophobicContact CZ-CG 4.42Å
28	L	44.4	Very low	38.2	Very low	33 Å²	33	98.5 Å²	98.5	17%	0.173	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-56.3	-10.1	-169.6	-155.7	90	0	0	0	115	H30 H31 G173 Y177	L28-H30 PolarHBondContact O-N 3.32Å; L28-H31 PolarHBondContact O-N 3.45Å; L28-G173 PolarHBondContact N-O 3.08Å; L28-Y177 HydrophobicContact CD2-CE1 3.74Å
29	H	46.5	Very low	39.5	Very low	17 Å²	17	94.3 Å²	94.3	8%	0.079	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-44.8	-24.3	165.7	-66.3	-85.9	0	0	0	113.7	F27 L122 Y140 C141 C144 G173	F27-H29 PolarHBondContact O-N 3.48Å; H29-L122 HydrophobicContact CB-CD2 4.48Å; H29-Y140 AromaticContact CD2-CD2 3.62Å; H29-Y140 AromaticContact CE1-CD2 3.82Å; H29-Y140 AromaticContact NE2-CD2 3.01Å; H29-Y140 WeakPolarHBondContact NE2-CD2 3.24Å; H29-Y140 AromaticContact NE2-CE2 3.83Å; H29-Y140 AromaticContact NE2-CG 3.67Å; H29-C141 PolarHBondContact CE1-O 3.22Å; H29-C141 VanDerWaalsContact CE1-O 3.23Å; H29-C141 PolarHBondContact NE2-O 3.34Å; H29-C144 PolarHBondContact CE1-O 2.79Å; H29-C144 VanDerWaalsContact CE1-O 3.27Å; H29-G173 PolarHBondContact CD2-O 3.45Å; H29-G173 VanDerWaalsContact NE2-CA 3.3Å; H29-G173 WeakPolarHBondContact NE2-CA 3.34Å; H29-G173 PolarHBondContact NE2-O 2.99Å
30	H	46.5	Very low	40.6	Very low	47 Å²	47	92.3 Å²	92.3	22%	0.218	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-81.5	-6.5	180	-61.6	-57	0	0	0	115.7	Y26 F27 L28	Y26-H30 HydrophobicContact CD1-CB 4.09Å; Y26-H30 AromaticContact CD1-CD2 3.08Å; Y26-H30 WeakPolarHBondContact CD1-CD2 3.41Å; Y26-H30 AromaticContact CD1-CG 3.65Å; Y26-H30 AromaticContact CD1-NE2 3.71Å; Y26-H30 HydrophobicContact CE1-CB 4.04Å; Y26-H30 AromaticContact CE1-CD2 3.35Å; Y26-H30 WeakPolarHBondContact CE1-CD2 3.41Å; Y26-H30 AromaticContact CE1-CG 3.53Å; Y26-H30 AromaticContact CE1-NE2 3.73Å; Y26-H30 AromaticContact CG-CD2 3.65Å; Y26-H30 AromaticContact CG-NE2 3.95Å; F27-H30 PolarHBondContact O-CD2 3.02Å; F27-H30 PolarHBondContact O-N 3.06Å; L28-H30 PolarHBondContact O-N 3.32Å
31	H	46.9	Very low	41.7	Very low	78 Å²	78	88 Å²	88	36%	0.361	45%	0.451	S	S	.	.			trans	-105	110.7	-177.5	-61.4	-67	0	0	0	111.7	L28 R320	L28-H31 PolarHBondContact O-N 3.45Å; H31-R320 PolarHBondContact O-NH1 3.19Å
32	G	42.1	Very low	43.1	Very low	37 Å²	37	79.5 Å²	79.5	38%	0.381	42%	0.42	S	S	.	.			trans	-55.7	162.9	161.1	0	0	0	0	0	111.3	D34 H35	G32-D34 PolarHBondContact O-N 2.89Å; G32-H35 PolarHBondContact O-N 3.31Å
33	P	42.5	Very low	44.5	Very low	32 Å²	32	75 Å²	75	21%	0.208	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.1	179.3	30	-35.9	0	0	0	112.5	H35 W294 R320	P33-H35 PolarHBondContact O-N 3.32Å; P33-W294 HydrophobicContact CB-CH2 3.25Å; P33-W294 HydrophobicContact CB-CZ2 3.59Å; P33-W294 HydrophobicContact CB-CZ3 4.2Å; P33-W294 HydrophobicContact CG-CH2 3.08Å; P33-W294 HydrophobicContact CG-CZ2 3.89Å; P33-W294 HydrophobicContact CG-CZ3 3.54Å; P33-R320 VanDerWaalsContact N-NH1 3.14Å
34	D	41.5	Very low	45.8	Very low	101 Å²	101	66.6 Å²	66.6	54%	0.54	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.2	-172.5	-53.2	-42.1	0	0	0	111.6	G32 K308	G32-D34 PolarHBondContact O-N 2.89Å; D34-K308 IonicContact OD1-NZ 3.62Å; D34-K308 IonicContact OD2-NZ 3.85Å; D34-K308 PolarHBondContact OD2-NZ 3.17Å
35	H	38.3	Very low	47.1	Very low	121 Å²	121	67 Å²	67	56%	0.56	35%	0.349	S	S	*	.			trans	-114.1	76	172.4	-68.8	-14.7	0	0	0	110.8	G32 P33 Q37	G32-H35 PolarHBondContact O-N 3.31Å; P33-H35 PolarHBondContact O-N 3.32Å; H35-Q37 PolarHBondContact O-N 3.18Å
36	S	39.7	Very low	48.3	Very low	53 Å²	53	65.1 Å²	65.1	37%	0.371	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9	167.2	53.3	0	0	0	0	113.2
37	Q	40.4	Very low	49.6	Very low	180 Å²	180	62.1 Å²	62.1	84%	0.841	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	14.8	-160.1	-59.8	-154.8	0.5	0	0	117.8	H35	H35-Q37 PolarHBondContact O-N 3.18Å
38	G	43.5	Very low	50.9	Low	57 Å²	57	60.9 Å²	60.9	59%	0.588	33%	0.331	S	S	*	.			trans	-136.9	24.1	-173.5	0	0	0	0	0	116.6
39	R	55.6	Low	52.2	Low	62 Å²	62	60.4 Å²	60.4	23%	0.234	33%	0.331	C	S	.	.			trans	-73.7	143.6	-168.2	-75.1	173.4	-169.2	-99.6	-16.5	113.6	L41 F44 Y177 D324	R39-L41 PolarHBondContact O-N 3.17Å; R39-F44 HydrophobicContact CB-CE2 3.89Å; R39-F44 HydrophobicContact CB-CZ 4.31Å; R39-Y177 PolarHBondContact NH1-OH 3.09Å; R39-D324 IonicContact CZ-OD2 2.71Å; R39-D324 IonicContact NH1-OD2 3.32Å; R39-D324 PolarHBondContact NH1-OD2 2.99Å; R39-D324 IonicContact NH2-OD2 3.52Å; R39-D324 PolarHBondContact NH2-OD2 3.44Å
40	S	52.5	Low	53.6	Low	62 Å²	62	64.7 Å²	64.7	43%	0.434	36%	0.362	S	S	.	.			trans	-62.8	129.3	166.4	178.6	0	0	0	0	109.7	S42 S43	S40-S42 WeakPolarHBondContact CB-OG 3.11Å; S40-S42 PolarHBondContact O-N 3.46Å; S40-S42 WeakPolarHBondContact OG-CB 3.48Å; S40-S42 PolarHBondContact OG-N 3.09Å; S40-S42 PolarHBondContact OG-OG 3.29Å; S40-S43 PolarHBondContact O-N 3.04Å
41	L	53.3	Low	54.8	Low	83 Å²	83	64.1 Å²	64.1	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-52.6	-20.7	170.5	-72	166.4	0	0	0	112.2	R39 S43 F44 K45 L56	R39-L41 PolarHBondContact O-N 3.17Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.41Å; L41-F44 PolarHBondContact O-N 3Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.24Å; L41-K45 PolarHBondContact O-N 3.37Å; L41-L56 HydrophobicContact CD1-CD2 4.49Å
42	S	58.9	Low	56	Low	37 Å²	37	60.4 Å²	60.4	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-39.9	178.8	57.9	0	0	0	0	114.2	S40 N176	S40-S42 WeakPolarHBondContact CB-OG 3.11Å; S40-S42 PolarHBondContact O-N 3.46Å; S40-S42 WeakPolarHBondContact OG-CB 3.48Å; S40-S42 PolarHBondContact OG-N 3.09Å; S40-S42 PolarHBondContact OG-OG 3.29Å; S42-N176 PolarHBondContact OG-OD1 3.06Å
43	S	58.9	Low	57.4	Low	4 Å²	4	61.4 Å²	61.4	3%	0.028	34%	0.343	C	S	.	.	H	α-helix	trans	-69.9	-36.9	-178.5	-180	0	0	0	0	111.8	S40 L41 Y177	S40-S43 PolarHBondContact O-N 3.04Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.41Å; S43-Y177 PolarHBondContact OG-O 3.49Å
44	F	58.5	Low	58.7	Low	27 Å²	27	61.3 Å²	61.3	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-73.8	-32	179.4	-62	-54.2	0	0	0	113.3	R39 L41 Q46 H47 M48 I179 P376	R39-F44 HydrophobicContact CB-CE2 3.89Å; R39-F44 HydrophobicContact CB-CZ 4.31Å; L41-F44 PolarHBondContact O-N 3Å; F44-Q46 PolarHBondContact O-N 2.98Å; F44-H47 PolarHBondContact O-N 2.81Å; F44-M48 WeakPolarHBondContact O-CG 3.29Å; F44-M48 PolarHBondContact O-N 2.95Å; F44-I179 HydrophobicContact CD1-CD1 3.95Å; F44-I179 HydrophobicContact CE1-CD1 4.01Å; F44-P376 HydrophobicContact CD1-CB 4.25Å; F44-P376 HydrophobicContact CD1-CG 4.21Å; F44-P376 HydrophobicContact CE1-CB 4.15Å; F44-P376 HydrophobicContact CE1-CG 3.65Å; F44-P376 HydrophobicContact CZ-CG 4.35Å
45	K	61.7	Low	60	Low	90 Å²	90	60.5 Å²	60.5	39%	0.391	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-49.4	-29.5	-177.6	-81.6	175.5	-175.1	179.6	0	114.7	L41 H47 M48 L53 L56	L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.24Å; L41-K45 PolarHBondContact O-N 3.37Å; K45-H47 VanDerWaalsContact C-N 3.3Å; K45-H47 PolarHBondContact O-N 3.33Å; K45-M48 HydrophobicContact CB-SD 4.39Å; K45-M48 HydrophobicContact CG-SD 3.96Å; K45-M48 PolarHBondContact O-N 2.7Å; K45-L53 HydrophobicContact CB-CD2 3.88Å; K45-L53 HydrophobicContact CD-CD2 4.43Å; K45-L53 HydrophobicContact CG-CD2 3.81Å; K45-L56 HydrophobicContact CD-CD1 4.28Å; K45-L56 HydrophobicContact CG-CD1 3.88Å
46	Q	61.5	Low	61.2	Low	108 Å²	108	56 Å²	56	51%	0.505	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.9	-27.2	-177.7	-63.4	-177.3	-7.4	0	0	113.8	F44	F44-Q46 PolarHBondContact O-N 2.98Å
47	H	62.5	Low	62.3	Low	35 Å²	35	59 Å²	59	16%	0.162	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-109.5	10.7	177.9	-52	-76.2	0	0	0	112.3	F44 K45 I179 F181 S377	F44-H47 PolarHBondContact O-N 2.81Å; K45-H47 VanDerWaalsContact C-N 3.3Å; K45-H47 PolarHBondContact O-N 3.33Å; H47-I179 PolarHBondContact CE1-O 2.9Å; H47-I179 PolarHBondContact NE2-O 3.45Å; H47-F181 AromaticContact ND1-CE2 3.9Å; H47-S377 VanDerWaalsContact O-CB 3.23Å; H47-S377 WeakPolarHBondContact O-CB 3.35Å; H47-S377 PolarHBondContact O-OG 2.86Å
48	M	73.7	Confident	63.1	Low	15 Å²	15	53.6 Å²	53.6	7%	0.074	31%	0.313	C	S	.	.	S	Bend	trans	-79.3	146	174.4	-65.7	-179	89.5	0	0	109.8	F44 K45 A52 L53 L56 E372 L373	F44-M48 WeakPolarHBondContact O-CG 3.29Å; F44-M48 PolarHBondContact O-N 2.95Å; K45-M48 HydrophobicContact CB-SD 4.39Å; K45-M48 HydrophobicContact CG-SD 3.96Å; K45-M48 PolarHBondContact O-N 2.7Å; M48-A52 HydrophobicContact CB-CB 3.92Å; M48-A52 HydrophobicContact CE-CB 3.58Å; M48-A52 HydrophobicContact CG-CB 4.49Å; M48-L53 HydrophobicContact CB-CD2 4.26Å; M48-L53 HydrophobicContact CB-CG 4.12Å; M48-L53 HydrophobicContact SD-CD2 4.48Å; M48-L56 HydrophobicContact CE-CD1 4.04Å; M48-L56 HydrophobicContact SD-CD1 3.82Å; M48-E372 VanDerWaalsContact CE-C 3.5Å; M48-E372 HydrophobicContact CE-CB 4.04Å; M48-E372 VanDerWaalsContact CE-O 3.27Å; M48-E372 WeakPolarHBondContact CE-O 3.43Å; M48-E372 HydrophobicContact CG-CB 4.36Å; M48-L373 HydrophobicContact CE-CB 4.37Å; M48-L373 HydrophobicContact CE-CD2 3.35Å; M48-L373 HydrophobicContact CE-CG 3.76Å
49	S	72	Confident	63.5	Low	23 Å²	23	53.4 Å²	53.4	16%	0.161	30%	0.303	C	S	.	.			trans	-63.1	157.1	169	60.3	0	0	0	0	111.7	S51 A52 L53 E372	S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 PolarHBondContact OG-OG 2.73Å; S49-S51 VanDerWaalsContact OG-OG 3.04Å; S49-A52 WeakPolarHBondContact O-CB 3.1Å; S49-A52 PolarHBondContact O-N 2.9Å; S49-A52 VanDerWaalsContact O-N 3.12Å; S49-A52 WeakPolarHBondContact OG-CB 3.33Å; S49-A52 PolarHBondContact OG-N 2.87Å; S49-L53 PolarHBondContact O-N 3.12Å; S49-E372 VanDerWaalsContact CB-OE2 3.25Å; S49-E372 WeakPolarHBondContact CB-OE2 3.49Å; S49-E372 PolarHBondContact N-OE2 3.38Å; S49-E372 PolarHBondContact OG-OE2 3.25Å
50	S	74.5	Confident	63.2	Low	106 Å²	106	53.3 Å²	53.3	74%	0.741	32%	0.315	S	S	*	.	H	α-helix	trans	-57	-36	175.2	-175.2	0	0	0	0	112.2	L53 G54	S50-L53 PolarHBondContact O-N 2.71Å; S50-G54 PolarHBondContact O-N 3.29Å
51	S	72.7	Confident	63	Low	36 Å²	36	53 Å²	53	25%	0.252	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-46	175.2	51.7	0	0	0	0	111.7	S49 L53 G54 H55	S49-S51 PolarHBondContact O-N 3.46Å; S49-S51 PolarHBondContact OG-OG 2.73Å; S49-S51 VanDerWaalsContact OG-OG 3.04Å; S51-L53 PolarHBondContact O-N 2.76Å; S51-G54 PolarHBondContact O-N 3.48Å; S51-H55 PolarHBondContact O-CD2 3.23Å; S51-H55 PolarHBondContact O-N 2.83Å
52	A	71.8	Confident	62.4	Low	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-45.1	172.9	0	0	0	0	0	113.2	M48 S49 G54 H55 L56 A369 E372	M48-A52 HydrophobicContact CB-CB 3.92Å; M48-A52 HydrophobicContact CE-CB 3.58Å; M48-A52 HydrophobicContact CG-CB 4.49Å; S49-A52 WeakPolarHBondContact O-CB 3.1Å; S49-A52 PolarHBondContact O-N 2.9Å; S49-A52 VanDerWaalsContact O-N 3.12Å; S49-A52 WeakPolarHBondContact OG-CB 3.33Å; S49-A52 PolarHBondContact OG-N 2.87Å; A52-G54 VanDerWaalsContact C-N 3.33Å; A52-G54 PolarHBondContact O-N 3.06Å; A52-H55 PolarHBondContact O-N 3.01Å; A52-L56 PolarHBondContact O-N 3.07Å; A52-A369 HydrophobicContact CB-CB 3.92Å; A52-E372 HydrophobicContact CB-CB 4.17Å; A52-E372 VanDerWaalsContact CB-OE2 3.25Å; A52-E372 WeakPolarHBondContact CB-OE2 3.4Å
53	L	72.4	Confident	61.3	Low	58 Å²	58	62.3 Å²	62.3	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-40.4	175	-69.8	172.7	0	0	0	111.8	K45 M48 S49 S50 S51 H55 L56 I57	K45-L53 HydrophobicContact CB-CD2 3.88Å; K45-L53 HydrophobicContact CD-CD2 4.43Å; K45-L53 HydrophobicContact CG-CD2 3.81Å; M48-L53 HydrophobicContact CB-CD2 4.26Å; M48-L53 HydrophobicContact CB-CG 4.12Å; M48-L53 HydrophobicContact SD-CD2 4.48Å; S49-L53 PolarHBondContact O-N 3.12Å; S50-L53 PolarHBondContact O-N 2.71Å; S51-L53 PolarHBondContact O-N 2.76Å; L53-H55 VanDerWaalsContact C-N 3.33Å; L53-H55 PolarHBondContact O-N 3.15Å; L53-L56 WeakPolarHBondContact O-CB 3.28Å; L53-L56 PolarHBondContact O-N 3.2Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.42Å
54	G	69.5	Low	60.2	Low	29 Å²	29	68.4 Å²	68.4	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-38.4	174.9	0	0	0	0	0	113.2	S50 S51 A52 L56 I57 S58	S50-G54 PolarHBondContact O-N 3.29Å; S51-G54 PolarHBondContact O-N 3.48Å; A52-G54 VanDerWaalsContact C-N 3.33Å; A52-G54 PolarHBondContact O-N 3.06Å; G54-L56 VanDerWaalsContact C-N 3.34Å; G54-I57 PolarHBondContact O-N 3.12Å; G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 3.1Å; G54-S58 PolarHBondContact O-OG 2.87Å
55	H	68.3	Low	58.8	Low	84 Å²	84	71.6 Å²	71.6	39%	0.389	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-34.9	174	-75.8	-67.8	0	0	0	112.4	S51 A52 L53 S59 L373	S51-H55 PolarHBondContact O-CD2 3.23Å; S51-H55 PolarHBondContact O-N 2.83Å; A52-H55 PolarHBondContact O-N 3.01Å; L53-H55 VanDerWaalsContact C-N 3.33Å; L53-H55 PolarHBondContact O-N 3.15Å; H55-S59 WeakPolarHBondContact O-CB 3.19Å; H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 3.24Å; H55-L373 HydrophobicContact CB-CD1 4.28Å
56	L	63.3	Low	57.4	Low	28 Å²	28	72.2 Å²	72.2	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-68.8	-41.3	173.6	-69.1	174.8	0	0	0	112.5	L41 K45 M48 A52 L53 G54 S59 A60 L373	L41-L56 HydrophobicContact CD1-CD2 4.49Å; K45-L56 HydrophobicContact CD-CD1 4.28Å; K45-L56 HydrophobicContact CG-CD1 3.88Å; M48-L56 HydrophobicContact CE-CD1 4.04Å; M48-L56 HydrophobicContact SD-CD1 3.82Å; A52-L56 PolarHBondContact O-N 3.07Å; L53-L56 WeakPolarHBondContact O-CB 3.28Å; L53-L56 PolarHBondContact O-N 3.2Å; L53-L56 VanDerWaalsContact O-N 3.15Å; G54-L56 VanDerWaalsContact C-N 3.34Å; L56-S59 WeakPolarHBondContact CA-OG 3.5Å; L56-S59 PolarHBondContact O-OG 3.26Å; L56-A60 VanDerWaalsContact O-CB 3.32Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.39Å; L56-L373 HydrophobicContact CD1-CD2 3.82Å; L56-L373 HydrophobicContact CD2-CD2 3.26Å; L56-L373 HydrophobicContact CG-CD2 3.41Å; L56-L373 VanDerWaalsContact CG-CD2 3.41Å
57	I	62.1	Low	56	Low	116 Å²	116	75.8 Å²	75.8	60%	0.595	42%	0.417	S	S	*	.	H	α-helix	trans	-68.3	-42.2	178.3	-64.4	166.3	0	0	0	110.3	L53 G54 S59 A60 S61	L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.42Å; G54-I57 PolarHBondContact O-N 3.12Å; I57-S59 PolarHBondContact O-N 2.88Å; I57-A60 PolarHBondContact O-N 3.22Å; I57-S61 WeakPolarHBondContact O-CB 3.38Å; I57-S61 PolarHBondContact O-N 2.86Å
58	S	57.2	Low	54.5	Low	66 Å²	66	80.7 Å²	80.7	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-41.7	179	-59.9	0	0	0	0	111.7	G54 S61 Q62	G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 3.1Å; G54-S58 PolarHBondContact O-OG 2.87Å; S58-S61 PolarHBondContact O-N 3.37Å; S58-Q62 WeakPolarHBondContact O-CB 3.12Å; S58-Q62 VanDerWaalsContact O-CG 3.25Å; S58-Q62 WeakPolarHBondContact O-CG 3.39Å; S58-Q62 PolarHBondContact O-N 3.25Å
59	S	53.2	Low	52.4	Low	53 Å²	53	88.5 Å²	88.5	37%	0.371	48%	0.476	S	S	.	.	H	α-helix	trans	-70.5	-34.1	175.9	51.1	0	0	0	0	113	H55 L56 I57 K63	H55-S59 WeakPolarHBondContact O-CB 3.19Å; H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 3.24Å; L56-S59 WeakPolarHBondContact CA-OG 3.5Å; L56-S59 PolarHBondContact O-OG 3.26Å; I57-S59 PolarHBondContact O-N 2.88Å; S59-K63 WeakPolarHBondContact O-CG 3.41Å; S59-K63 PolarHBondContact O-N 2.78Å
60	A	48	Very low	50.2	Low	59 Å²	59	97.1 Å²	97.1	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-69	-43.8	172.6	0	0	0	0	0	112.2	L56 I57 K63 H64	L56-A60 VanDerWaalsContact O-CB 3.32Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.39Å; I57-A60 PolarHBondContact O-N 3.22Å; A60-K63 PolarHBondContact O-N 3.33Å; A60-H64 PolarHBondContact O-N 3.46Å
61	S	49.3	Very low	48	Very low	55 Å²	55	98.5 Å²	98.5	39%	0.385	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-41.7	176.3	-178.2	0	0	0	0	110.9	I57 S58 K63 H64 L65	I57-S61 WeakPolarHBondContact O-CB 3.38Å; I57-S61 PolarHBondContact O-N 2.86Å; S58-S61 PolarHBondContact O-N 3.37Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.2Å; S61-H64 CarbonylContact O-C 3.57Å; S61-H64 PolarHBondContact O-N 3.47Å; S61-H64 VanDerWaalsContact O-N 3.11Å; S61-L65 VanDerWaalsContact O-CB 3.27Å; S61-L65 WeakPolarHBondContact O-CB 3.2Å; S61-L65 WeakPolarHBondContact O-CG 3.24Å; S61-L65 PolarHBondContact O-N 3.35Å; S61-L65 WeakPolarHBondContact OG-CD1 3.46Å
62	Q	41.5	Very low	45.8	Very low	138 Å²	138	103.2 Å²	103.2	65%	0.645	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-37.3	174.9	-78	180	3.8	0	0	112.9	S58 H64 L65 S66	S58-Q62 WeakPolarHBondContact O-CB 3.12Å; S58-Q62 VanDerWaalsContact O-CG 3.25Å; S58-Q62 WeakPolarHBondContact O-CG 3.39Å; S58-Q62 PolarHBondContact O-N 3.25Å; Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.35Å; Q62-L65 PolarHBondContact O-N 2.89Å; Q62-S66 PolarHBondContact O-N 2.88Å; Q62-S66 PolarHBondContact O-OG 3.16Å
63	K	34.7	Very low	43.9	Very low	178 Å²	178	111.2 Å²	111.2	77%	0.774	58%	0.579	S	S	*	*	H	α-helix	trans	-65.5	-30.8	174.8	-75.4	-179.2	179.9	-179.7	0	112.9	S59 A60 S61 S66	S59-K63 WeakPolarHBondContact O-CG 3.41Å; S59-K63 PolarHBondContact O-N 2.78Å; A60-K63 PolarHBondContact O-N 3.33Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.2Å; K63-S66 PolarHBondContact O-OG 2.92Å
64	H	35.3	Very low	41.5	Very low	133 Å²	133	119.6 Å²	119.6	62%	0.616	61%	0.607	S	S	*	*	H	α-helix	trans	-84.1	-30.3	174.2	-163.4	-91.7	0	0	0	112.5	A60 S61 Q62 R67	A60-H64 PolarHBondContact O-N 3.46Å; S61-H64 CarbonylContact O-C 3.57Å; S61-H64 PolarHBondContact O-N 3.47Å; S61-H64 VanDerWaalsContact O-N 3.11Å; Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.35Å; H64-R67 PolarHBondContact O-N 3.47Å
65	L	30.7	Very low	39.5	Very low	93 Å²	93	126.8 Å²	126.8	49%	0.487	63%	0.63	S	S	.	*	H	α-helix	trans	-80.7	-17.8	-177.4	-73.1	167.7	0	0	0	113.9	S61 Q62 R67 Q68	S61-L65 VanDerWaalsContact O-CB 3.27Å; S61-L65 WeakPolarHBondContact O-CB 3.2Å; S61-L65 WeakPolarHBondContact O-CG 3.24Å; S61-L65 PolarHBondContact O-N 3.35Å; S61-L65 WeakPolarHBondContact OG-CD1 3.46Å; Q62-L65 PolarHBondContact O-N 2.89Å; L65-R67 PolarHBondContact O-N 3.41Å; L65-Q68 PolarHBondContact O-N 2.88Å; L65-Q68 VanDerWaalsContact O-N 3.14Å
66	S	31.9	Very low	37.4	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-0.2	168.8	44.2	0	0	0	0	114.1	Q62 K63	Q62-S66 PolarHBondContact O-N 2.88Å; Q62-S66 PolarHBondContact O-OG 3.16Å; K63-S66 PolarHBondContact O-OG 2.92Å
67	R	31.8	Very low	35.4	Very low	184 Å²	184	140.7 Å²	140.7	69%	0.694	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	1.6	172.7	-102.1	-175.9	176.5	-179.8	4.5	115.9	H17 H64 L65	H17-R67 PolarHBondContact CE1-NH1 3.19Å; H17-R67 PolarHBondContact NE2-NH1 2.92Å; H17-R67 VanDerWaalsContact NE2-NH1 3.13Å; H17-R67 PolarHBondContact NE2-NH2 2.99Å; H64-R67 PolarHBondContact O-N 3.47Å; L65-R67 PolarHBondContact O-N 3.41Å
68	Q	30.5	Very low	33.7	Very low	137 Å²	137	140.8 Å²	140.8	64%	0.64	70%	0.7	S	S	*	*	S	Bend	trans	-130	118	179.7	-69.4	-167.2	-21.1	0	0	112.3	L65	L65-Q68 PolarHBondContact O-N 2.88Å; L65-Q68 VanDerWaalsContact O-N 3.14Å
69	H	29.7	Very low	32.2	Very low	180 Å²	180	143.6 Å²	143.6	83%	0.833	72%	0.719	S	S	*	*			trans	-48.1	141.4	176.3	-85.4	-107.7	0	0	0	113.3	T71	H69-T71 PolarHBondContact O-N 3.43Å
70	K	25.6	Very low	31	Very low	204 Å²	204	145.5 Å²	145.5	89%	0.887	74%	0.738	S	S	*	*			trans	-7.8	101.1	156	-67.8	175.7	175.5	177.9	0	115.2
71	T	29.3	Very low	29.8	Very low	135 Å²	135	146.1 Å²	146.1	83%	0.828	75%	0.75	S	S	*	*			trans	-143.1	121	143.2	55.7	0	0	0	0	110	H69 H73	H69-T71 PolarHBondContact O-N 3.43Å; T71-H73 PolarHBondContact O-N 2.95Å
72	T	25.5	Very low	28.7	Very low	134 Å²	134	149.1 Å²	149.1	82%	0.822	77%	0.771	S	S	*	*			trans	-77.6	109.1	175.3	39.6	0	0	0	0	109.5
73	H	31.6	Very low	27.9	Very low	168 Å²	168	151.1 Å²	151.1	78%	0.778	79%	0.786	S	S	*	*			trans	-143.9	120.5	158.5	-114.1	-89	0	0	0	111.7	T71 F75	T71-H73 PolarHBondContact O-N 2.95Å; H73-F75 HydrophobicContact CB-CE2 4.28Å; H73-F75 PolarHBondContact O-N 3.1Å
74	R	23.3	Very low	27.7	Very low	235 Å²	235	147.4 Å²	147.4	89%	0.887	78%	0.782	S	S	*	*			trans	-79.7	101.5	-177	-179.6	178.4	-178.5	170.9	0.6	109
75	F	26.7	Very low	27.2	Very low	180 Å²	180	149.8 Å²	149.8	79%	0.789	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-86.9	124	176.7	-83.9	-89.6	0	0	0	111.1	H73	H73-F75 HydrophobicContact CB-CE2 4.28Å; H73-F75 PolarHBondContact O-N 3.1Å
76	K	23.7	Very low	26.9	Very low	188 Å²	188	152.3 Å²	152.3	82%	0.817	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.6	126.9	172.6	-72.3	-179.3	176.3	178.3	0	108.9
77	F	23	Very low	26.6	Very low	216 Å²	216	156.4 Å²	156.4	95%	0.947	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.6	126.3	171.2	-86.7	-97.2	0	0	0	110
78	S	25.2	Very low	26.1	Very low	118 Å²	118	154 Å²	154	83%	0.825	82%	0.82	S	S	*	*			trans	-116.2	108.2	163.1	50.3	0	0	0	0	108.2
79	S	25.8	Very low	25.8	Very low	124 Å²	124	154.9 Å²	154.9	87%	0.867	82%	0.824	S	S	*	*			trans	-77	113.5	174.8	169.7	0	0	0	0	109.5
80	A	27.7	Very low	25.3	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	82%	0.823	S	S	*	*			trans	-117.3	104	165.8	0	0	0	0	0	107.8
81	G	22.2	Very low	25.1	Very low	72 Å²	72	151 Å²	151	74%	0.742	81%	0.813	S	S	*	*			trans	-79.8	125.2	170.3	0	0	0	0	0	109.6
82	S	27.8	Very low	24.6	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	82%	0.817	S	S	*	*			trans	-117.2	110.5	169.2	-63.6	0	0	0	0	108.2
83	L	23.8	Very low	24.5	Very low	181 Å²	181	156.6 Å²	156.6	95%	0.948	82%	0.817	S	S	*	*			trans	-68.8	127.2	167.5	-71.2	108.3	0	0	0	108.7
84	S	30.2	Very low	24	Very low	100 Å²	100	153.8 Å²	153.8	70%	0.699	82%	0.817	S	S	*	*			trans	-124.7	122.1	162.5	72.1	0	0	0	0	111.3
85	H	25.4	Very low	24.1	Very low	183 Å²	183	150.7 Å²	150.7	85%	0.847	82%	0.818	S	S	*	*			trans	-62.8	124	165.3	-110.4	-112	0	0	0	108.9
86	N	25.3	Very low	24	Very low	146 Å²	146	149.4 Å²	149.4	78%	0.781	82%	0.819	S	S	*	*			trans	-122.9	108.8	166.6	-87	-22.6	0	0	0	110
87	Q	25.4	Very low	24.1	Very low	188 Å²	188	150.2 Å²	150.2	88%	0.879	83%	0.825	S	S	*	*			trans	-73.8	131.1	167.5	-83.4	172.4	-30.9	0	0	109.6
88	V	21.3	Very low	24.1	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	81%	0.813	S	S	*	*			trans	-82.9	113.3	-179.5	175.5	0	0	0	0	108.6
89	H	22.6	Very low	24.1	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.718	81%	0.811	S	S	*	*			trans	-112.2	119.9	164.7	-151.3	-75.1	0	0	0	109.8	H91	H89-H91 AromaticContact CE1-CD2 3.84Å; H89-H91 AromaticContact CE1-NE2 3.37Å; H89-H91 PolarHBondContact CE1-NE2 3.41Å; H89-H91 AromaticContact ND1-CD2 3.19Å; H89-H91 PolarHBondContact ND1-CD2 3.24Å; H89-H91 AromaticContact ND1-NE2 3.23Å; H89-H91 PolarHBondContact ND1-NE2 2.8Å; H89-H91 PolarHBondContact O-N 3.12Å
90	L	19.1	Very low	24.3	Very low	157 Å²	157	148.9 Å²	148.9	82%	0.822	81%	0.814	S	S	*	*			trans	-75.9	112.7	-178.3	-145.3	79.8	0	0	0	108.3
91	H	21.5	Very low	24.8	Very low	145 Å²	145	149.4 Å²	149.4	67%	0.671	80%	0.804	S	S	*	*			trans	-127.6	131.7	167.5	-89.5	-84.7	0	0	0	111.4	H89	H89-H91 AromaticContact CE1-CD2 3.84Å; H89-H91 AromaticContact CE1-NE2 3.37Å; H89-H91 PolarHBondContact CE1-NE2 3.41Å; H89-H91 AromaticContact ND1-CD2 3.19Å; H89-H91 PolarHBondContact ND1-CD2 3.24Å; H89-H91 AromaticContact ND1-NE2 3.23Å; H89-H91 PolarHBondContact ND1-NE2 2.8Å; H89-H91 PolarHBondContact O-N 3.12Å
92	K	20.4	Very low	26	Very low	212 Å²	212	153.9 Å²	153.9	92%	0.922	81%	0.81	S	S	*	*			trans	-94.6	103.7	-178	-169.8	-177.9	-171.2	-178.8	0	105.8
93	E	22	Very low	27.3	Very low	175 Å²	175	157.7 Å²	157.7	82%	0.818	81%	0.807	S	S	*	*			trans	-123.8	133.6	-179.4	-74	-166.3	161.2	0	0	113.3
94	S	22.6	Very low	29.2	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	79%	0.786	S	S	*	*			trans	-69.7	155.3	-176.1	-57.8	0	0	0	0	113.1	N96	S94-N96 PolarHBondContact O-N 2.98Å
95	N	23.5	Very low	31.5	Very low	170 Å²	170	156.6 Å²	156.6	91%	0.909	79%	0.789	S	S	*	*			trans	-35.7	105.1	169.7	-86.3	-21.9	0	0	0	113.7
96	N	25.1	Very low	34.6	Very low	153 Å²	153	152.2 Å²	152.2	82%	0.818	77%	0.769	S	S	*	*			trans	-114.4	110.8	164	-90.8	-21.6	0	0	0	109.6	S94 C98	S94-N96 PolarHBondContact O-N 2.98Å; N96-C98 PolarHBondContact O-N 3.25Å
97	H	25.2	Very low	37.8	Very low	204 Å²	204	146.6 Å²	146.6	94%	0.944	74%	0.74	S	S	*	*			trans	-59.8	109	165.7	-94.4	-22.7	0	0	0	109.7
98	C	23.1	Very low	41.1	Very low	103 Å²	103	143.7 Å²	143.7	70%	0.696	73%	0.73	S	S	*	*			trans	-152.5	118.3	165.3	-154.5	0	0	0	0	111.9	N96	N96-C98 PolarHBondContact O-N 3.25Å
99	K	25.6	Very low	44.6	Very low	176 Å²	176	139.5 Å²	139.5	77%	0.765	70%	0.702	S	S	*	*			trans	41.2	100	146.5	-62.4	-180	-180	179.4	0	118.5	D101	K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 PolarHBondContact O-N 3.45Å
100	T	31.2	Very low	47.9	Very low	152 Å²	152	137.9 Å²	137.9	93%	0.933	69%	0.693	S	S	*	*			trans	34.6	44.1	135.9	56.4	0	0	0	0	118.4
101	D	38.6	Very low	51.5	Low	104 Å²	104	131.8 Å²	131.8	56%	0.556	67%	0.669	S	S	*	*			trans	-87.3	131.5	154.4	-152.5	1.4	0	0	0	104.7	K99 R103	K99-D101 VanDerWaalsContact C-N 3.27Å; K99-D101 PolarHBondContact O-N 3.45Å; D101-R103 HydrophobicContact CB-CG 3.87Å; D101-R103 PolarHBondContact O-N 3.31Å; D101-R103 IonicContact OD2-CZ 2.82Å; D101-R103 IonicContact OD2-NE 3.74Å; D101-R103 PolarHBondContact OD2-NE 3.48Å; D101-R103 IonicContact OD2-NH2 3.43Å; D101-R103 PolarHBondContact OD2-NH2 3.29Å
102	D	46.5	Very low	55	Low	166 Å²	166	125 Å²	125	89%	0.888	64%	0.637	S	S	*	*			trans	-70.3	37.2	-179.7	-155.2	19.2	0	0	0	110.5	V104	D102-V104 PolarHBondContact O-N 2.79Å
103	R	54.9	Low	58.6	Low	198 Å²	198	116.3 Å²	116.3	75%	0.747	60%	0.602	S	S	*	*			trans	-64.1	107.2	175.8	-75.1	-177.6	-174	-135.4	-0.3	106.4	D101 F105	D101-R103 HydrophobicContact CB-CG 3.87Å; D101-R103 PolarHBondContact O-N 3.31Å; D101-R103 IonicContact OD2-CZ 2.82Å; D101-R103 IonicContact OD2-NE 3.74Å; D101-R103 PolarHBondContact OD2-NE 3.48Å; D101-R103 IonicContact OD2-NH2 3.43Å; D101-R103 PolarHBondContact OD2-NH2 3.29Å; R103-F105 PolarHBondContact O-N 3Å
104	V	63.7	Low	62	Low	86 Å²	86	108 Å²	108	52%	0.521	56%	0.563	S	S	.	*			trans	-44.3	116.2	165.8	179.1	0	0	0	0	107.5	D102 E106 V115	D102-V104 PolarHBondContact O-N 2.79Å; V104-E106 PolarHBondContact O-N 3.26Å; V104-E106 VanDerWaalsContact O-N 3.14Å; V104-V115 HydrophobicContact CG1-CB 4.47Å; V104-V115 HydrophobicContact CG1-CG1 3.55Å; V104-V115 HydrophobicContact CG1-CG2 4.04Å
105	F	79.5	Confident	65.3	Low	171 Å²	171	103 Å²	103	75%	0.75	53%	0.528	S	S	*	.			trans	-68.6	112.7	-179.6	-172.2	-94.5	0	0	0	108.8	R103 V107	R103-F105 PolarHBondContact O-N 3Å; F105-V107 HydrophobicContact CD1-CG2 3.97Å; F105-V107 HydrophobicContact CE1-CG2 3.64Å
106	E	89.7	Confident	68.5	Low	91 Å²	91	101.1 Å²	101.1	43%	0.425	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.5	179.9	-65.1	-173.2	163.2	0	0	110.6	V104 V113 F114 V115 R142	V104-E106 PolarHBondContact O-N 3.26Å; V104-E106 VanDerWaalsContact O-N 3.14Å; E106-V113 HydrophobicContact CB-CG1 4.27Å; E106-V113 HydrophobicContact CG-CG1 4.2Å; E106-F114 WeakPolarHBondContact CA-O 3.33Å; E106-V115 HydrophobicContact CG-CG2 4.18Å; E106-R142 IonicContact OE1-CZ 2.72Å; E106-R142 IonicContact OE1-NH1 3.4Å; E106-R142 PolarHBondContact OE1-NH1 3.27Å
107	V	92	Very high	71.4	Confident	29 Å²	29	94.6 Å²	94.6	18%	0.176	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119	175.4	-173.9	0	0	0	0	108.4	F105 L109 F114	F105-V107 HydrophobicContact CD1-CG2 3.97Å; F105-V107 HydrophobicContact CE1-CG2 3.64Å; V107-L109 HydrophobicContact CG1-CD1 3.95Å; V107-L109 HydrophobicContact CG1-CD2 4.48Å; V107-L109 HydrophobicContact CG1-CG 3.94Å; V107-F114 HydrophobicContact CB-CB 4.15Å; V107-F114 PolarHBondContact N-O 3.12Å; V107-F114 VanDerWaalsContact O-CB 3.31Å; V107-F114 WeakPolarHBondContact O-CB 3.49Å; V107-F114 PolarHBondContact O-N 2.87Å
108	L	95.1	Very high	73.9	Confident	126 Å²	126	88.6 Å²	88.6	66%	0.66	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.6	-179.7	-178.2	66.6	0	0	0	110.6	H112 V113	L108-H112 WeakPolarHBondContact CA-O 3.2Å; L108-H112 WeakPolarHBondContact CD1-O 3.15Å; L108-V113 HydrophobicContact CD1-CG2 4.11Å
109	L	93.9	Very high	76.1	Confident	46 Å²	46	84.7 Å²	84.7	24%	0.241	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.9	-179.8	-62.3	169.9	0	0	0	110.4	V107 G111 H112 F114 I148 Q155 L158	V107-L109 HydrophobicContact CG1-CD1 3.95Å; V107-L109 HydrophobicContact CG1-CD2 4.48Å; V107-L109 HydrophobicContact CG1-CG 3.94Å; L109-G111 PolarHBondContact O-N 3.36Å; L109-G111 VanDerWaalsContact O-N 3.09Å; L109-H112 PolarHBondContact N-O 3.44Å; L109-H112 WeakPolarHBondContact O-CA 3.33Å; L109-H112 VanDerWaalsContact O-CB 3.25Å; L109-H112 WeakPolarHBondContact O-CB 3.49Å; L109-H112 PolarHBondContact O-CD2 2.92Å; L109-H112 VanDerWaalsContact O-CD2 3.31Å; L109-H112 PolarHBondContact O-N 2.9Å; L109-F114 HydrophobicContact CB-CD2 4.1Å; L109-F114 HydrophobicContact CB-CE2 4.03Å; L109-F114 HydrophobicContact CD1-CD2 4.1Å; L109-F114 HydrophobicContact CD1-CE2 4.29Å; L109-F114 HydrophobicContact CG-CD2 4.39Å; L109-I148 HydrophobicContact CD1-CD1 4.3Å; L109-Q155 HydrophobicContact CD1-CB 3.81Å; L109-Q155 HydrophobicContact CD1-CG 4.16Å; L109-L158 HydrophobicContact CB-CD2 4.2Å
110	K	93.3	Very high	78.2	Confident	121 Å²	121	79 Å²	79	53%	0.526	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.8	176.1	-56.6	-69.7	-174.8	177.5	0	113.3	H112 L158 V161 C162	K110-H112 VanDerWaalsContact C-N 3.26Å; K110-H112 PolarHBondContact O-N 3.26Å; K110-L158 WeakPolarHBondContact CE-O 3.42Å; K110-V161 HydrophobicContact CB-CG2 4.33Å; K110-V161 CarbonylContact O-C 3.48Å; K110-V161 VanDerWaalsContact O-CA 3.31Å; K110-V161 WeakPolarHBondContact O-CA 3.42Å; K110-V161 WeakPolarHBondContact O-CG1 3.13Å; K110-C162 PolarHBondContact O-N 2.72Å
111	G	94.1	Very high	80.3	Confident	30 Å²	30	79.8 Å²	79.8	31%	0.309	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-2.5	-177.1	0	0	0	0	0	115.5	L109 C162	L109-G111 PolarHBondContact O-N 3.36Å; L109-G111 VanDerWaalsContact O-N 3.09Å; G111-C162 VanDerWaalsContact O-CB 3.3Å; G111-C162 WeakPolarHBondContact O-CB 3.33Å
112	H	95.8	Very high	82.3	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.8	171.3	-61.9	-82	0	0	0	110.3	L108 L109 K110 F114 C141 C144 R160 C162	L108-H112 WeakPolarHBondContact CA-O 3.2Å; L108-H112 WeakPolarHBondContact CD1-O 3.15Å; L109-H112 PolarHBondContact N-O 3.44Å; L109-H112 WeakPolarHBondContact O-CA 3.33Å; L109-H112 VanDerWaalsContact O-CB 3.25Å; L109-H112 WeakPolarHBondContact O-CB 3.49Å; L109-H112 PolarHBondContact O-CD2 2.92Å; L109-H112 VanDerWaalsContact O-CD2 3.31Å; L109-H112 PolarHBondContact O-N 2.9Å; K110-H112 VanDerWaalsContact C-N 3.26Å; K110-H112 PolarHBondContact O-N 3.26Å; H112-F114 HydrophobicContact CB-CD2 3.65Å; H112-F114 HydrophobicContact CB-CE1 4.33Å; H112-F114 HydrophobicContact CB-CE2 3.23Å; H112-F114 HydrophobicContact CB-CG 4.36Å; H112-F114 HydrophobicContact CB-CZ 3.61Å; H112-F114 AromaticContact CG-CE2 3.78Å; H112-F114 AromaticContact CG-CZ 3.77Å; H112-C141 HydrophobicContact CB-CB 4.16Å; H112-C141 PolarHBondContact ND1-SG 3.01Å; H112-C141 VanDerWaalsContact ND1-SG 3.37Å; H112-C144 PolarHBondContact CE1-SG 2.88Å; H112-C144 PolarHBondContact ND1-SG 3.43Å; H112-R160 PolarHBondContact NE2-O 2.97Å; H112-C162 HydrophobicContact CB-CB 4.39Å; H112-C162 WeakPolarHBondContact CE1-CA 3.44Å; H112-C162 VanDerWaalsContact CE1-CB 3.46Å; H112-C162 WeakPolarHBondContact CE1-CB 3.34Å; H112-C162 WeakPolarHBondContact ND1-CB 3.46Å; H112-C162 PolarHBondContact NE2-N 2.91Å; H112-C162 VanDerWaalsContact NE2-N 3.19Å
113	V	95.2	Very high	84.2	Confident	30 Å²	30	75.9 Å²	75.9	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	95.7	169.4	-177	0	0	0	0	107.2	E106 L108 C141 R142	E106-V113 HydrophobicContact CB-CG1 4.27Å; E106-V113 HydrophobicContact CG-CG1 4.2Å; L108-V113 HydrophobicContact CD1-CG2 4.11Å; V113-C141 CarbonylContact O-C 3.53Å; V113-C141 WeakPolarHBondContact O-CA 3.35Å; V113-R142 HydrophobicContact CG1-CG 4.35Å; V113-R142 PolarHBondContact O-N 2.91Å
114	F	94.7	Very high	85.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.1	-176	-78.5	-68.8	0	0	0	112.1	E106 V107 L109 H112 L139 Y140 C141 V146 I148 L158	E106-F114 WeakPolarHBondContact CA-O 3.33Å; V107-F114 HydrophobicContact CB-CB 4.15Å; V107-F114 PolarHBondContact N-O 3.12Å; V107-F114 VanDerWaalsContact O-CB 3.31Å; V107-F114 WeakPolarHBondContact O-CB 3.49Å; V107-F114 PolarHBondContact O-N 2.87Å; L109-F114 HydrophobicContact CB-CD2 4.1Å; L109-F114 HydrophobicContact CB-CE2 4.03Å; L109-F114 HydrophobicContact CD1-CD2 4.1Å; L109-F114 HydrophobicContact CD1-CE2 4.29Å; L109-F114 HydrophobicContact CG-CD2 4.39Å; H112-F114 HydrophobicContact CB-CD2 3.65Å; H112-F114 HydrophobicContact CB-CE1 4.33Å; H112-F114 HydrophobicContact CB-CE2 3.23Å; H112-F114 HydrophobicContact CB-CG 4.36Å; H112-F114 HydrophobicContact CB-CZ 3.61Å; H112-F114 AromaticContact CG-CE2 3.78Å; H112-F114 AromaticContact CG-CZ 3.77Å; F114-L139 HydrophobicContact CB-CB 3.98Å; F114-L139 HydrophobicContact CB-CD1 4.13Å; F114-L139 HydrophobicContact CD1-CB 3.78Å; F114-L139 HydrophobicContact CG-CB 4.11Å; F114-Y140 CarbonylContact C-O 3.58Å; F114-Y140 VanDerWaalsContact CA-O 3.31Å; F114-Y140 WeakPolarHBondContact CA-O 3.14Å; F114-Y140 VanDerWaalsContact CD1-C 3.48Å; F114-C141 HydrophobicContact CD1-CB 4.28Å; F114-C141 HydrophobicContact CE1-CB 4.04Å; F114-V146 HydrophobicContact CE1-CG1 4.06Å; F114-V146 HydrophobicContact CZ-CG1 3.84Å; F114-I148 HydrophobicContact CD1-CD1 4.39Å; F114-I148 HydrophobicContact CD1-CG1 4.22Å; F114-I148 HydrophobicContact CD2-CD1 4.21Å; F114-I148 HydrophobicContact CE1-CD1 4.09Å; F114-I148 HydrophobicContact CE1-CG1 3.87Å; F114-I148 HydrophobicContact CE2-CD1 3.85Å; F114-I148 HydrophobicContact CG-CD1 4.46Å; F114-I148 HydrophobicContact CZ-CD1 3.8Å; F114-I148 HydrophobicContact CZ-CG1 4.04Å; F114-I148 HydrophobicContact CZ-CG2 4.38Å; F114-L158 HydrophobicContact CE2-CD2 3.56Å; F114-L158 HydrophobicContact CZ-CD2 3.8Å
115	V	91.5	Very high	87	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.5	173.5	176.6	0	0	0	0	109.2	V104 E106 A117 L139 Y140 R142	V104-V115 HydrophobicContact CG1-CB 4.47Å; V104-V115 HydrophobicContact CG1-CG1 3.55Å; V104-V115 HydrophobicContact CG1-CG2 4.04Å; E106-V115 HydrophobicContact CG-CG2 4.18Å; V115-A117 PolarHBondContact O-N 3.28Å; V115-L139 WeakPolarHBondContact O-CA 3.43Å; V115-Y140 HydrophobicContact CB-CE1 3.95Å; V115-Y140 HydrophobicContact CB-CE2 4.32Å; V115-Y140 HydrophobicContact CG1-CE1 4.01Å; V115-Y140 PolarHBondContact N-O 3.02Å; V115-Y140 VanDerWaalsContact O-CD1 3.26Å; V115-Y140 WeakPolarHBondContact O-CD1 3.49Å; V115-Y140 PolarHBondContact O-N 3.05Å; V115-R142 HydrophobicContact CB-CG 4.46Å; V115-R142 HydrophobicContact CG2-CG 3.6Å
116	R	90.5	Very high	87.6	Confident	131 Å²	131	59.2 Å²	59.2	49%	0.494	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.6	174.6	-173.5	-179.1	-175.4	79.5	-0.1	110.7	S137 L139 N150	R116-S137 PolarHBondContact NH1-OG 3.41Å; R116-S137 PolarHBondContact NH2-OG 3.43Å; R116-L139 HydrophobicContact CB-CD2 4.09Å; R116-N150 PolarHBondContact NH1-ND2 2.77Å
117	A	85.3	Confident	87.8	Confident	16 Å²	16	55 Å²	55	13%	0.132	27%	0.274	C	S	.	.			trans	-67.4	138.6	173.1	0	0	0	0	0	111.1	V115 Y138 Y140	V115-A117 PolarHBondContact O-N 3.28Å; A117-Y138 HydrophobicContact CB-CD1 4.05Å; A117-Y138 HydrophobicContact CB-CD2 3.82Å; A117-Y138 HydrophobicContact CB-CE1 3.63Å; A117-Y138 HydrophobicContact CB-CE2 3.37Å; A117-Y138 HydrophobicContact CB-CG 4.11Å; A117-Y138 WeakPolarHBondContact CB-OH 3.46Å; A117-Y138 PolarHBondContact N-O 3.22Å; A117-Y140 HydrophobicContact CB-CD1 3.98Å; A117-Y140 HydrophobicContact CB-CE1 4.49Å
118	T	77.3	Confident	87.9	Confident	79 Å²	79	54.8 Å²	54.8	49%	0.485	27%	0.271	S	S	.	.	S	Bend	trans	-84.9	-21.6	169.4	51.2	0	0	0	0	113	R25	R25-T118 HydrophobicContact CB-CG2 4.48Å; R25-T118 WeakPolarHBondContact CB-OG1 3.35Å
119	C	69.3	Low	87.7	Confident	21 Å²	21	49 Å²	49	14%	0.142	24%	0.241	C	C	.	.			trans	-112.1	123.8	-176.9	-180	0	0	0	0	110.2	R121 Y138	C119-R121 PolarHBondContact SG-N 2.69Å; C119-R121 VanDerWaalsContact SG-N 3.44Å; C119-Y138 WeakPolarHBondContact O-CE1 3.01Å; C119-Y138 VanDerWaalsContact O-CZ 3.28Å; C119-Y138 PolarHBondContact O-OH 2.78Å
120	S	69.3	Low	87.5	Confident	57 Å²	57	49.3 Å²	49.3	40%	0.399	24%	0.242	S	C	.	.			trans	-90.7	8.3	176.3	58.7	0	0	0	0	114	H134 G135	S120-H134 CarbonylContact O-C 3.6Å; S120-H134 WeakPolarHBondContact O-CA 3.4Å; S120-G135 PolarHBondContact O-N 2.91Å
121	R	77	Confident	87.4	Confident	167 Å²	167	45.9 Å²	45.9	63%	0.63	23%	0.228	S	C	*	.			trans	-87	-2	-175.7	-66.2	-169.6	-82.1	-174.2	-6.4	114.8	C119 R123 H134	C119-R121 PolarHBondContact SG-N 2.69Å; C119-R121 VanDerWaalsContact SG-N 3.44Å; R121-R123 PolarHBondContact O-N 2.89Å; R121-H134 PolarHBondContact O-CD2 2.93Å
122	L	80.6	Confident	87.2	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	23%	0.23	C	C	.	.			trans	-65.5	131.8	173.3	-175	63.8	0	0	0	109.8	H29 D124 V133 H134 Y138 V147	H29-L122 HydrophobicContact CB-CD2 4.48Å; L122-D124 HydrophobicContact CD1-CB 4.27Å; L122-D124 HydrophobicContact CD2-CB 4.08Å; L122-D124 HydrophobicContact CG-CB 3.93Å; L122-V133 HydrophobicContact CB-CG2 4.04Å; L122-V133 HydrophobicContact CD2-CG2 4.04Å; L122-V133 HydrophobicContact CG-CG2 4.09Å; L122-H134 WeakPolarHBondContact O-CA 3.28Å; L122-H134 VanDerWaalsContact O-CB 3.28Å; L122-H134 WeakPolarHBondContact O-CB 3.37Å; L122-H134 PolarHBondContact O-N 3.24Å; L122-Y138 HydrophobicContact CB-CE1 4.16Å; L122-Y138 WeakPolarHBondContact CB-OH 3.3Å; L122-Y138 HydrophobicContact CD2-CE2 3.83Å; L122-V147 HydrophobicContact CD2-CB 4.43Å; L122-V147 HydrophobicContact CD2-CG1 3.72Å; L122-V147 HydrophobicContact CD2-CG2 4.24Å
123	R	85.4	Confident	86.9	Confident	182 Å²	182	46.7 Å²	46.7	69%	0.687	23%	0.229	S	C	*	.			trans	-99.6	1.8	-177.2	-69.2	-179.4	177.7	-119.5	-2.2	114.3	R121 S132 H134	R121-R123 PolarHBondContact O-N 2.89Å; R123-S132 PolarHBondContact O-OG 2.68Å; R123-H134 HydrophobicContact CG-CB 4.04Å
124	D	86.2	Confident	86.6	Confident	63 Å²	63	48.6 Å²	48.6	34%	0.337	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-62.3	149.8	-178.7	-69.1	5.8	0	0	0	112.2	L122 S132 V133 V147	L122-D124 HydrophobicContact CD1-CB 4.27Å; L122-D124 HydrophobicContact CD2-CB 4.08Å; L122-D124 HydrophobicContact CG-CB 3.93Å; D124-S132 WeakPolarHBondContact O-CA 3.4Å; D124-V133 WeakPolarHBondContact O-CG2 3.5Å; D124-V133 PolarHBondContact O-N 2.88Å; D124-V147 HydrophobicContact CB-CG2 3.97Å
125	P	90.8	Very high	86.2	Confident	42 Å²	42	51 Å²	51	27%	0.273	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-70.6	141.3	174	30.1	-34	0	0	0	110.8	E127 W290	P125-E127 PolarHBondContact O-N 3.43Å; P125-W290 HydrophobicContact CG-CZ3 4.13Å
126	C	92.7	Very high	86.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.2	132.2	164.4	169.7	0	0	0	0	109.6	F128 C129 L130 H131 V133 V147 H149	C126-F128 PolarHBondContact O-N 2.94Å; C126-C129 VanDerWaalsContact CB-SG 3.55Å; C126-C129 VanDerWaalsContact SG-SG 3.6Å; C126-L130 VanDerWaalsContact O-CA 3.3Å; C126-L130 WeakPolarHBondContact O-CA 3.42Å; C126-L130 PolarHBondContact O-N 2.8Å; C126-H131 WeakPolarHBondContact CB-O 3.42Å; C126-H131 PolarHBondContact N-O 3.07Å; C126-V133 HydrophobicContact CB-CG1 3.98Å; C126-V147 CarbonylContact C-O 3.57Å; C126-V147 WeakPolarHBondContact CA-O 3.39Å; C126-H149 VanDerWaalsContact CB-CE1 3.49Å; C126-H149 WeakPolarHBondContact CB-CE1 3.31Å; C126-H149 VanDerWaalsContact CB-ND1 3.34Å; C126-H149 WeakPolarHBondContact CB-ND1 3.31Å; C126-H149 PolarHBondContact SG-N 3.45Å; C126-H149 VanDerWaalsContact SG-N 3.35Å
127	E	94.3	Very high	86.1	Confident	3 Å²	3	51.4 Å²	51.4	1%	0.014	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.8	-172.3	-162.6	61.7	-148.6	0	0	113.1	P125 V146 V147 I148 L158 R160 R313	P125-E127 PolarHBondContact O-N 3.43Å; E127-V146 HydrophobicContact CB-CG1 3.74Å; E127-V146 HydrophobicContact CG-CG1 3.76Å; E127-V146 HydrophobicContact CG-CG2 4.18Å; E127-V147 WeakPolarHBondContact CB-O 3.46Å; E127-V147 PolarHBondContact N-O 3.43Å; E127-I148 HydrophobicContact CB-CG2 3.76Å; E127-L158 HydrophobicContact CB-CD1 4.03Å; E127-L158 HydrophobicContact CG-CD1 3.97Å; E127-R160 PolarHBondContact O-NH2 3.41Å; E127-R160 IonicContact OE1-CZ 2.71Å; E127-R160 IonicContact OE1-NE 3.77Å; E127-R160 PolarHBondContact OE1-NE 3.06Å; E127-R160 IonicContact OE1-NH2 3.76Å; E127-R160 PolarHBondContact OE1-NH2 2.76Å; E127-R313 WeakPolarHBondContact OE1-CG 3.25Å; E127-R313 IonicContact OE1-CZ 3.1Å; E127-R313 IonicContact OE1-NE 2.94Å; E127-R313 PolarHBondContact OE1-NE 3.09Å; E127-R313 IonicContact OE1-NH2 2.68Å; E127-R313 IonicContact OE2-CZ 3.85Å; E127-R313 IonicContact OE2-NE 3.82Å; E127-R313 PolarHBondContact OE2-NE 3.15Å; E127-R313 IonicContact OE2-NH2 2.69Å; E127-R313 PolarHBondContact OE2-NH2 3.4Å
128	F	93.6	Very high	86.4	Confident	24 Å²	24	51 Å²	51	11%	0.105	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-67.1	178	169.1	-110.7	0	0	0	113.3	C126 L130 I153 C154 H157 F262	C126-F128 PolarHBondContact O-N 2.94Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.8Å; F128-I153 HydrophobicContact CE1-CG1 4.3Å; F128-I153 WeakPolarHBondContact CE1-O 3.41Å; F128-C154 HydrophobicContact CD1-CB 4.07Å; F128-H157 HydrophobicContact CD1-CB 4.4Å; F128-H157 HydrophobicContact CD2-CB 3.54Å; F128-H157 WeakPolarHBondContact CD2-O 3.47Å; F128-H157 HydrophobicContact CE1-CB 3.98Å; F128-H157 HydrophobicContact CE2-CB 3.07Å; F128-H157 AromaticContact CE2-CG 3.96Å; F128-H157 HydrophobicContact CG-CB 4.17Å; F128-H157 HydrophobicContact CZ-CB 3.27Å; F128-H157 AromaticContact CZ-CG 3.74Å; F128-F262 HydrophobicContact CD2-CZ 4.47Å; F128-F262 HydrophobicContact CE1-CD2 4.15Å; F128-F262 HydrophobicContact CE1-CE1 4.43Å; F128-F262 HydrophobicContact CE1-CE2 4.05Å; F128-F262 HydrophobicContact CE1-CG 4.36Å; F128-F262 HydrophobicContact CE1-CZ 4.2Å; F128-F262 HydrophobicContact CE2-CD1 4.25Å; F128-F262 AromaticContact CE2-CE1 3.51Å; F128-F262 HydrophobicContact CE2-CE1 3.51Å; F128-F262 HydrophobicContact CE2-CE2 4.02Å; F128-F262 AromaticContact CE2-CZ 3.36Å; F128-F262 HydrophobicContact CE2-CZ 3.36Å; F128-F262 AromaticContact CZ-CD1 3.55Å; F128-F262 HydrophobicContact CZ-CD1 3.55Å; F128-F262 AromaticContact CZ-CD2 3.8Å; F128-F262 HydrophobicContact CZ-CD2 3.8Å; F128-F262 AromaticContact CZ-CE1 3.27Å; F128-F262 HydrophobicContact CZ-CE1 3.27Å; F128-F262 AromaticContact CZ-CE2 3.52Å; F128-F262 HydrophobicContact CZ-CE2 3.52Å; F128-F262 AromaticContact CZ-CG 3.81Å; F128-F262 HydrophobicContact CZ-CG 3.81Å; F128-F262 AromaticContact CZ-CZ 3.24Å; F128-F262 HydrophobicContact CZ-CZ 3.24Å
129	C	91.5	Very high	87.2	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.034	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.8	-170.5	69.9	0	0	0	0	113.8	C126 H131 H149	C126-C129 VanDerWaalsContact CB-SG 3.55Å; C126-C129 VanDerWaalsContact SG-SG 3.6Å; C129-H131 PolarHBondContact O-N 3.46Å; C129-H131 VanDerWaalsContact O-N 3.12Å; C129-H131 PolarHBondContact O-ND1 3.2Å; C129-H149 PolarHBondContact SG-CE1 3.02Å; C129-H149 PolarHBondContact SG-ND1 3.34Å
130	L	90.1	Very high	88.2	Confident	52 Å²	52	46.9 Å²	46.9	27%	0.272	24%	0.241	S	C	.	.			trans	65.6	1.3	-177.7	-42.1	-175.8	0	0	0	115.1	C126 F128 V256 W290	C126-L130 VanDerWaalsContact O-CA 3.3Å; C126-L130 WeakPolarHBondContact O-CA 3.42Å; C126-L130 PolarHBondContact O-N 2.8Å; F128-L130 VanDerWaalsContact C-N 3.31Å; F128-L130 PolarHBondContact O-N 2.8Å; L130-V256 HydrophobicContact CB-CG1 4.34Å; L130-W290 HydrophobicContact CD2-CD2 4.35Å; L130-W290 HydrophobicContact CD2-CH2 3.3Å; L130-W290 HydrophobicContact CD2-CZ2 2.99Å; L130-W290 HydrophobicContact CD2-CZ3 4.1Å; L130-W290 HydrophobicContact CG-CZ2 4.41Å
131	H	90.6	Very high	89.4	Confident	49 Å²	49	44.1 Å²	44.1	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	-74.5	147.7	168.3	-64	78.8	0	0	0	110.4	C126 C129 H149 V256 R257	C126-H131 WeakPolarHBondContact CB-O 3.42Å; C126-H131 PolarHBondContact N-O 3.07Å; C129-H131 PolarHBondContact O-N 3.46Å; C129-H131 VanDerWaalsContact O-N 3.12Å; C129-H131 PolarHBondContact O-ND1 3.2Å; H131-H149 PolarHBondContact O-CE1 2.9Å; H131-V256 HydrophobicContact CB-CG1 4.37Å; H131-V256 VanDerWaalsContact CD2-CG1 3.41Å; H131-V256 WeakPolarHBondContact CD2-CG1 3.4Å; H131-V256 WeakPolarHBondContact CE1-CG1 3.3Å; H131-V256 PolarHBondContact CE1-O 2.54Å; H131-V256 WeakPolarHBondContact NE2-CB 3.5Å; H131-V256 WeakPolarHBondContact NE2-CG1 3.49Å; H131-V256 PolarHBondContact NE2-O 3.14Å; H131-V256 VanDerWaalsContact NE2-O 3.15Å; H131-R257 PolarHBondContact CE1-O 3.3Å
132	S	89.9	Confident	90	Very high	48 Å²	48	39.8 Å²	39.8	34%	0.336	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-57.1	140.6	175	-170.2	0	0	0	0	111.5	R123 D124 H134 H149	R123-S132 PolarHBondContact O-OG 2.68Å; D124-S132 WeakPolarHBondContact O-CA 3.4Å; S132-H134 PolarHBondContact O-N 3.49Å; S132-H134 VanDerWaalsContact OG-CB 3.32Å; S132-H134 WeakPolarHBondContact OG-CB 3.26Å; S132-H134 PolarHBondContact OG-N 3.07Å; S132-H149 PolarHBondContact O-CE1 3.01Å; S132-H149 PolarHBondContact O-NE2 3.35Å
133	V	88.9	Confident	90.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.			trans	-78.5	-6.4	170.2	-59	0	0	0	0	112.9	L122 D124 C126 G135 H136 Y138 V147	L122-V133 HydrophobicContact CB-CG2 4.04Å; L122-V133 HydrophobicContact CD2-CG2 4.04Å; L122-V133 HydrophobicContact CG-CG2 4.09Å; D124-V133 WeakPolarHBondContact O-CG2 3.5Å; D124-V133 PolarHBondContact O-N 2.88Å; C126-V133 HydrophobicContact CB-CG1 3.98Å; V133-G135 PolarHBondContact O-N 2.92Å; V133-H136 PolarHBondContact O-N 2.87Å; V133-Y138 HydrophobicContact CB-CD1 3.74Å; V133-Y138 HydrophobicContact CB-CD2 4.28Å; V133-Y138 HydrophobicContact CB-CE1 4.43Å; V133-Y138 HydrophobicContact CB-CG 3.67Å; V133-Y138 HydrophobicContact CG1-CG 4.15Å; V133-Y138 HydrophobicContact CG2-CD1 3.78Å; V133-Y138 HydrophobicContact CG2-CD2 4.07Å; V133-Y138 HydrophobicContact CG2-CE1 3.99Å; V133-Y138 HydrophobicContact CG2-CE2 4.28Å; V133-Y138 HydrophobicContact CG2-CG 3.85Å; V133-V147 HydrophobicContact CG1-CG2 3.97Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å
134	H	88.6	Confident	90.9	Very high	69 Å²	69	31.5 Å²	31.5	32%	0.319	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.8	-178.8	-176.3	-89.8	0	0	0	112.3	S120 R121 L122 R123 S132 H136	S120-H134 CarbonylContact O-C 3.6Å; S120-H134 WeakPolarHBondContact O-CA 3.4Å; R121-H134 PolarHBondContact O-CD2 2.93Å; L122-H134 WeakPolarHBondContact O-CA 3.28Å; L122-H134 VanDerWaalsContact O-CB 3.28Å; L122-H134 WeakPolarHBondContact O-CB 3.37Å; L122-H134 PolarHBondContact O-N 3.24Å; R123-H134 HydrophobicContact CG-CB 4.04Å; S132-H134 PolarHBondContact O-N 3.49Å; S132-H134 VanDerWaalsContact OG-CB 3.32Å; S132-H134 WeakPolarHBondContact OG-CB 3.26Å; S132-H134 PolarHBondContact OG-N 3.07Å; H134-H136 PolarHBondContact O-CD2 3.06Å; H134-H136 PolarHBondContact O-N 3.5Å
135	G	87.3	Confident	91.1	Very high	50 Å²	50	29.3 Å²	29.3	52%	0.515	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	0.2	-179.1	0	0	0	0	0	114.3	S120 V133	S120-G135 PolarHBondContact O-N 2.91Å; V133-G135 PolarHBondContact O-N 2.92Å
136	H	89.5	Confident	91.2	Very high	100 Å²	100	27.3 Å²	27.3	46%	0.463	15%	0.151	S	C	.	.	S	Bend	trans	-112.8	159	179.7	-62.3	-67.8	0	0	0	111.2	V133 H134 Y138	V133-H136 PolarHBondContact O-N 2.87Å; H134-H136 PolarHBondContact O-CD2 3.06Å; H134-H136 PolarHBondContact O-N 3.5Å; H136-Y138 WeakPolarHBondContact O-CD1 3.43Å; H136-Y138 PolarHBondContact O-N 3.16Å
137	S	90.4	Very high	91.2	Very high	46 Å²	46	27.4 Å²	27.4	32%	0.322	15%	0.152	S	C	.	.			trans	-71.6	127.3	166.5	175.9	0	0	0	0	109.4	R116 N150	R116-S137 PolarHBondContact NH1-OG 3.41Å; R116-S137 PolarHBondContact NH2-OG 3.43Å; S137-N150 PolarHBondContact O-N 3.29Å; S137-N150 WeakPolarHBondContact OG-CB 3.4Å
138	Y	91.4	Very high	91.2	Very high	8 Å²	8	27.3 Å²	27.3	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.3	-179.5	74.1	-91.6	0	0	0	111.7	A117 C119 L122 V133 H136 V147 I148	A117-Y138 HydrophobicContact CB-CD1 4.05Å; A117-Y138 HydrophobicContact CB-CD2 3.82Å; A117-Y138 HydrophobicContact CB-CE1 3.63Å; A117-Y138 HydrophobicContact CB-CE2 3.37Å; A117-Y138 HydrophobicContact CB-CG 4.11Å; A117-Y138 WeakPolarHBondContact CB-OH 3.46Å; A117-Y138 PolarHBondContact N-O 3.22Å; C119-Y138 WeakPolarHBondContact O-CE1 3.01Å; C119-Y138 VanDerWaalsContact O-CZ 3.28Å; C119-Y138 PolarHBondContact O-OH 2.78Å; L122-Y138 HydrophobicContact CB-CE1 4.16Å; L122-Y138 WeakPolarHBondContact CB-OH 3.3Å; L122-Y138 HydrophobicContact CD2-CE2 3.83Å; V133-Y138 HydrophobicContact CB-CD1 3.74Å; V133-Y138 HydrophobicContact CB-CD2 4.28Å; V133-Y138 HydrophobicContact CB-CE1 4.43Å; V133-Y138 HydrophobicContact CB-CG 3.67Å; V133-Y138 HydrophobicContact CG1-CG 4.15Å; V133-Y138 HydrophobicContact CG2-CD1 3.78Å; V133-Y138 HydrophobicContact CG2-CD2 4.07Å; V133-Y138 HydrophobicContact CG2-CE1 3.99Å; V133-Y138 HydrophobicContact CG2-CE2 4.28Å; V133-Y138 HydrophobicContact CG2-CG 3.85Å; H136-Y138 WeakPolarHBondContact O-CD1 3.43Å; H136-Y138 PolarHBondContact O-N 3.16Å; Y138-V147 HydrophobicContact CD2-CB 4.12Å; Y138-V147 HydrophobicContact CD2-CG1 4.34Å; Y138-V147 HydrophobicContact CE2-CB 4.44Å; Y138-V147 HydrophobicContact CE2-CG1 4.19Å; Y138-I148 CarbonylContact C-O 3.57Å; Y138-I148 VanDerWaalsContact CA-O 3.25Å; Y138-I148 WeakPolarHBondContact CA-O 3.16Å; Y138-I148 WeakPolarHBondContact CB-O 3.41Å
139	L	92.9	Very high	91.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.7	173.1	-55.3	179.4	0	0	0	108.9	F114 V115 R116 V147 I148 N150 Q155	F114-L139 HydrophobicContact CB-CB 3.98Å; F114-L139 HydrophobicContact CB-CD1 4.13Å; F114-L139 HydrophobicContact CD1-CB 3.78Å; F114-L139 HydrophobicContact CG-CB 4.11Å; V115-L139 WeakPolarHBondContact O-CA 3.43Å; R116-L139 HydrophobicContact CB-CD2 4.09Å; L139-V147 CarbonylContact O-C 3.59Å; L139-V147 VanDerWaalsContact O-CA 3.29Å; L139-V147 WeakPolarHBondContact O-CA 3.45Å; L139-I148 HydrophobicContact CB-CG1 3.95Å; L139-I148 HydrophobicContact CD1-CD1 4.31Å; L139-I148 HydrophobicContact CD1-CG1 4.42Å; L139-I148 PolarHBondContact N-O 2.91Å; L139-I148 PolarHBondContact O-N 2.8Å; L139-N150 HydrophobicContact CD2-CB 4.16Å; L139-N150 WeakPolarHBondContact CD2-OD1 3.34Å; L139-N150 HydrophobicContact CG-CB 4.05Å; L139-Q155 HydrophobicContact CD1-CG 4.09Å
140	Y	92.1	Very high	91.2	Very high	8 Å²	8	28.6 Å²	28.6	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.5	173	71.2	-91.2	0	0	0	110.2	F27 H29 F114 V115 A117 R142 E174	F27-Y140 HydrophobicContact CD2-CE1 4.03Å; F27-Y140 HydrophobicContact CD2-CE2 4.13Å; F27-Y140 AromaticContact CD2-CZ 3.52Å; F27-Y140 VanDerWaalsContact CD2-OH 3.23Å; F27-Y140 WeakPolarHBondContact CD2-OH 3.32Å; F27-Y140 HydrophobicContact CE2-CE1 4.28Å; F27-Y140 AromaticContact CE2-CZ 3.68Å; F27-Y140 WeakPolarHBondContact CE2-OH 3.42Å; F27-Y140 HydrophobicContact CG-CE2 4.3Å; F27-Y140 WeakPolarHBondContact CZ-OH 3.46Å; H29-Y140 AromaticContact CD2-CD2 3.62Å; H29-Y140 AromaticContact CE1-CD2 3.82Å; H29-Y140 AromaticContact NE2-CD2 3.01Å; H29-Y140 WeakPolarHBondContact NE2-CD2 3.24Å; H29-Y140 AromaticContact NE2-CE2 3.83Å; H29-Y140 AromaticContact NE2-CG 3.67Å; F114-Y140 CarbonylContact C-O 3.58Å; F114-Y140 VanDerWaalsContact CA-O 3.31Å; F114-Y140 WeakPolarHBondContact CA-O 3.14Å; F114-Y140 VanDerWaalsContact CD1-C 3.48Å; V115-Y140 HydrophobicContact CB-CE1 3.95Å; V115-Y140 HydrophobicContact CB-CE2 4.32Å; V115-Y140 HydrophobicContact CG1-CE1 4.01Å; V115-Y140 PolarHBondContact N-O 3.02Å; V115-Y140 VanDerWaalsContact O-CD1 3.26Å; V115-Y140 WeakPolarHBondContact O-CD1 3.49Å; V115-Y140 PolarHBondContact O-N 3.05Å; A117-Y140 HydrophobicContact CB-CD1 3.98Å; A117-Y140 HydrophobicContact CB-CE1 4.49Å; Y140-R142 HydrophobicContact CE2-CG 4.45Å; Y140-E174 HydrophobicContact CE2-CG 4.41Å
141	C	92.9	Very high	91.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.3	176.7	-178.4	0	0	0	0	110.7	H29 H112 V113 F114 N143 C144 V146	H29-C141 PolarHBondContact CE1-O 3.22Å; H29-C141 VanDerWaalsContact CE1-O 3.23Å; H29-C141 PolarHBondContact NE2-O 3.34Å; H112-C141 HydrophobicContact CB-CB 4.16Å; H112-C141 PolarHBondContact ND1-SG 3.01Å; H112-C141 VanDerWaalsContact ND1-SG 3.37Å; V113-C141 CarbonylContact O-C 3.53Å; V113-C141 WeakPolarHBondContact O-CA 3.35Å; F114-C141 HydrophobicContact CD1-CB 4.28Å; F114-C141 HydrophobicContact CE1-CB 4.04Å; C141-N143 PolarHBondContact O-N 3.07Å; C141-N143 VanDerWaalsContact O-N 3.13Å; C141-N143 PolarHBondContact SG-N 3.36Å; C141-C144 VanDerWaalsContact O-O 3.06Å; C141-C144 VanDerWaalsContact SG-SG 3.6Å; C141-V146 HydrophobicContact CB-CB 4.45Å; C141-V146 PolarHBondContact N-O 3.43Å
142	R	90.8	Very high	91.5	Very high	75 Å²	75	33.9 Å²	33.9	28%	0.283	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.9	177.2	-59.9	-177.7	78	-175.1	-6.7	113.6	E106 V113 V115 Y140 G171 W172 G173 E174	E106-R142 IonicContact OE1-CZ 2.72Å; E106-R142 IonicContact OE1-NH1 3.4Å; E106-R142 PolarHBondContact OE1-NH1 3.27Å; V113-R142 HydrophobicContact CG1-CG 4.35Å; V113-R142 PolarHBondContact O-N 2.91Å; V115-R142 HydrophobicContact CB-CG 4.46Å; V115-R142 HydrophobicContact CG2-CG 3.6Å; Y140-R142 HydrophobicContact CE2-CG 4.45Å; R142-G171 CarbonylContact O-C 3.52Å; R142-G171 VanDerWaalsContact O-CA 3.23Å; R142-G171 WeakPolarHBondContact O-CA 3.27Å; R142-W172 PolarHBondContact O-N 3.13Å; R142-W172 VanDerWaalsContact O-N 3.1Å; R142-G173 WeakPolarHBondContact O-CA 3.37Å; R142-G173 PolarHBondContact O-N 3.34Å; R142-E174 HydrophobicContact CB-CG 4.3Å; R142-E174 HydrophobicContact CG-CG 4.41Å; R142-E174 IonicContact CZ-OE1 3.34Å; R142-E174 VanDerWaalsContact CZ-OE1 3.32Å; R142-E174 IonicContact CZ-OE2 3.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 2.93Å; R142-E174 IonicContact NE-OE2 3.02Å; R142-E174 PolarHBondContact NE-OE2 3.11Å; R142-E174 VanDerWaalsContact NH2-CD 3.34Å; R142-E174 IonicContact NH2-OE1 3.54Å; R142-E174 PolarHBondContact NH2-OE1 2.82Å; R142-E174 IonicContact NH2-OE2 2.64Å; R142-E174 PolarHBondContact NH2-OE2 3.35Å
143	N	92.2	Very high	91.7	Very high	16 Å²	16	33.8 Å²	33.8	9%	0.086	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.4	-168.9	-54	-35.5	0	0	0	114.1	C141 A164 T170 G171 W172	C141-N143 PolarHBondContact O-N 3.07Å; C141-N143 VanDerWaalsContact O-N 3.13Å; C141-N143 PolarHBondContact SG-N 3.36Å; N143-A164 HydrophobicContact CB-CB 3.46Å; N143-A164 VanDerWaalsContact CB-CB 3.46Å; N143-A164 WeakPolarHBondContact O-CB 3.25Å; N143-T170 WeakPolarHBondContact OD1-CA 3.16Å; N143-G171 PolarHBondContact OD1-N 2.79Å; N143-W172 VanDerWaalsContact O-CB 3.29Å; N143-W172 WeakPolarHBondContact O-CB 3.29Å
144	C	91.8	Very high	92	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-156.6	168.9	-179	80.8	0	0	0	0	111	H29 H112 C141 V146 I317 I321	H29-C144 PolarHBondContact CE1-O 2.79Å; H29-C144 VanDerWaalsContact CE1-O 3.27Å; H112-C144 PolarHBondContact CE1-SG 2.88Å; H112-C144 PolarHBondContact ND1-SG 3.43Å; C141-C144 VanDerWaalsContact O-O 3.06Å; C141-C144 VanDerWaalsContact SG-SG 3.6Å; C144-V146 PolarHBondContact O-N 2.84Å; C144-V146 VanDerWaalsContact SG-CB 3.53Å; C144-V146 VanDerWaalsContact SG-CG2 3.6Å; C144-I317 HydrophobicContact CB-CG2 4.31Å; C144-I321 HydrophobicContact CB-CD1 3.51Å; C144-I321 HydrophobicContact CB-CG1 4.16Å
145	P	90	Very high	92.3	Very high	17 Å²	17	32 Å²	32	11%	0.11	17%	0.171	C	C	.	.	S	Bend	trans	-70.9	1.5	-177.3	26.8	-35.6	0	0	0	115.5	W172 I317 R320	P145-W172 HydrophobicContact CB-CH2 3.94Å; P145-W172 HydrophobicContact CB-CZ3 3.63Å; P145-W172 HydrophobicContact CG-CH2 4.24Å; P145-W172 HydrophobicContact CG-CZ3 4.06Å; P145-I317 HydrophobicContact CG-CG2 4.07Å; P145-R320 HydrophobicContact CG-CB 4.05Å
146	V	92.9	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.			trans	-69.1	133.8	-175.6	168.9	0	0	0	0	112	F114 E127 C141 C144 I317	F114-V146 HydrophobicContact CE1-CG1 4.06Å; F114-V146 HydrophobicContact CZ-CG1 3.84Å; E127-V146 HydrophobicContact CB-CG1 3.74Å; E127-V146 HydrophobicContact CG-CG1 3.76Å; E127-V146 HydrophobicContact CG-CG2 4.18Å; C141-V146 HydrophobicContact CB-CB 4.45Å; C141-V146 PolarHBondContact N-O 3.43Å; C144-V146 PolarHBondContact O-N 2.84Å; C144-V146 VanDerWaalsContact SG-CB 3.53Å; C144-V146 VanDerWaalsContact SG-CG2 3.6Å; V146-I317 HydrophobicContact CG2-CD1 3.68Å; V146-I317 HydrophobicContact CG2-CG1 4.33Å; V146-I317 HydrophobicContact CG2-CG2 4.32Å
147	V	92.6	Very high	92.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.1	173	-59.2	0	0	0	0	110.8	L122 D124 C126 E127 V133 Y138 L139	L122-V147 HydrophobicContact CD2-CB 4.43Å; L122-V147 HydrophobicContact CD2-CG1 3.72Å; L122-V147 HydrophobicContact CD2-CG2 4.24Å; D124-V147 HydrophobicContact CB-CG2 3.97Å; C126-V147 CarbonylContact C-O 3.57Å; C126-V147 WeakPolarHBondContact CA-O 3.39Å; E127-V147 WeakPolarHBondContact CB-O 3.46Å; E127-V147 PolarHBondContact N-O 3.43Å; V133-V147 HydrophobicContact CG1-CG2 3.97Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å; Y138-V147 HydrophobicContact CD2-CB 4.12Å; Y138-V147 HydrophobicContact CD2-CG1 4.34Å; Y138-V147 HydrophobicContact CE2-CB 4.44Å; Y138-V147 HydrophobicContact CE2-CG1 4.19Å; L139-V147 CarbonylContact O-C 3.59Å; L139-V147 VanDerWaalsContact O-CA 3.29Å; L139-V147 WeakPolarHBondContact O-CA 3.45Å
148	I	94.2	Very high	92.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.6	177.4	58.1	176.3	0	0	0	110.7	L109 F114 E127 Y138 L139 Q155 L158	L109-I148 HydrophobicContact CD1-CD1 4.3Å; F114-I148 HydrophobicContact CD1-CD1 4.39Å; F114-I148 HydrophobicContact CD1-CG1 4.22Å; F114-I148 HydrophobicContact CD2-CD1 4.21Å; F114-I148 HydrophobicContact CE1-CD1 4.09Å; F114-I148 HydrophobicContact CE1-CG1 3.87Å; F114-I148 HydrophobicContact CE2-CD1 3.85Å; F114-I148 HydrophobicContact CG-CD1 4.46Å; F114-I148 HydrophobicContact CZ-CD1 3.8Å; F114-I148 HydrophobicContact CZ-CG1 4.04Å; F114-I148 HydrophobicContact CZ-CG2 4.38Å; E127-I148 HydrophobicContact CB-CG2 3.76Å; Y138-I148 CarbonylContact C-O 3.57Å; Y138-I148 VanDerWaalsContact CA-O 3.25Å; Y138-I148 WeakPolarHBondContact CA-O 3.16Å; Y138-I148 WeakPolarHBondContact CB-O 3.41Å; L139-I148 HydrophobicContact CB-CG1 3.95Å; L139-I148 HydrophobicContact CD1-CD1 4.31Å; L139-I148 HydrophobicContact CD1-CG1 4.42Å; L139-I148 PolarHBondContact N-O 2.91Å; L139-I148 PolarHBondContact O-N 2.8Å; I148-Q155 HydrophobicContact CD1-CB 4.48Å; I148-Q155 HydrophobicContact CD1-CG 3.84Å; I148-L158 HydrophobicContact CG2-CD1 4.1Å
149	H	93.9	Very high	92.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.9	170	-64.4	109	0	0	0	110.8	C126 C129 H131 S132 K151 C154 H259	C126-H149 VanDerWaalsContact CB-CE1 3.49Å; C126-H149 WeakPolarHBondContact CB-CE1 3.31Å; C126-H149 VanDerWaalsContact CB-ND1 3.34Å; C126-H149 WeakPolarHBondContact CB-ND1 3.31Å; C126-H149 PolarHBondContact SG-N 3.45Å; C126-H149 VanDerWaalsContact SG-N 3.35Å; C129-H149 PolarHBondContact SG-CE1 3.02Å; C129-H149 PolarHBondContact SG-ND1 3.34Å; H131-H149 PolarHBondContact O-CE1 2.9Å; S132-H149 PolarHBondContact O-CE1 3.01Å; S132-H149 PolarHBondContact O-NE2 3.35Å; H149-K151 HydrophobicContact CB-CB 4.44Å; H149-K151 HydrophobicContact CB-CD 4.35Å; H149-K151 HydrophobicContact CB-CG 4.28Å; H149-K151 PolarHBondContact O-N 3.1Å; H149-C154 HydrophobicContact CB-CB 4.16Å; H149-H259 AromaticContact ND1-CE1 3.48Å; H149-H259 PolarHBondContact ND1-CE1 3.37Å; H149-H259 AromaticContact ND1-NE2 3.72Å
150	N	93.1	Very high	92.7	Very high	56 Å²	56	38.3 Å²	38.3	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-81	65.9	172.5	-175.7	66.2	0	0	0	109.3	R116 S137 L139	R116-N150 PolarHBondContact NH1-ND2 2.77Å; S137-N150 PolarHBondContact O-N 3.29Å; S137-N150 WeakPolarHBondContact OG-CB 3.4Å; L139-N150 HydrophobicContact CD2-CB 4.16Å; L139-N150 WeakPolarHBondContact CD2-OD1 3.34Å; L139-N150 HydrophobicContact CG-CB 4.05Å
151	K	92.8	Very high	92.8	Very high	95 Å²	95	42.7 Å²	42.7	41%	0.413	22%	0.216	S	C	.	.	S	Bend	trans	-135.7	140.8	176.7	-68.9	178.5	178.1	-70.9	0	107.2	H149 I153 C154 Q155	H149-K151 HydrophobicContact CB-CB 4.44Å; H149-K151 HydrophobicContact CB-CD 4.35Å; H149-K151 HydrophobicContact CB-CG 4.28Å; H149-K151 PolarHBondContact O-N 3.1Å; K151-I153 VanDerWaalsContact C-N 3.26Å; K151-I153 HydrophobicContact CB-CG2 4.33Å; K151-I153 PolarHBondContact O-N 3.29Å; K151-C154 PolarHBondContact O-N 3.48Å; K151-Q155 PolarHBondContact O-N 3.04Å
152	D	93.9	Very high	93	Very high	117 Å²	117	42.9 Å²	42.9	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-55.5	-44.8	-174	-52.5	-30.2	0	0	0	111.4	C154 Q155 E156	D152-C154 PolarHBondContact O-N 3.5Å; D152-C154 VanDerWaalsContact O-N 3.1Å; D152-Q155 PolarHBondContact O-N 3.06Å; D152-E156 WeakPolarHBondContact O-CG 3.16Å; D152-E156 PolarHBondContact O-N 3.19Å
153	I	94.1	Very high	93.1	Very high	45 Å²	45	40 Å²	40	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-34.3	177.6	-157.5	169.3	0	0	0	113.8	F128 K151 H157 F262	F128-I153 HydrophobicContact CE1-CG1 4.3Å; F128-I153 WeakPolarHBondContact CE1-O 3.41Å; K151-I153 VanDerWaalsContact C-N 3.26Å; K151-I153 HydrophobicContact CB-CG2 4.33Å; K151-I153 PolarHBondContact O-N 3.29Å; I153-H157 WeakPolarHBondContact O-CB 3.3Å; I153-H157 PolarHBondContact O-ND1 3.31Å; I153-F262 HydrophobicContact CD1-CB 3.59Å; I153-F262 HydrophobicContact CG1-CB 4.4Å
154	C	95.5	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-83.2	-24.8	-179.9	-63.4	0	0	0	0	113.4	F128 H149 K151 D152 H259	F128-C154 HydrophobicContact CD1-CB 4.07Å; H149-C154 HydrophobicContact CB-CB 4.16Å; K151-C154 PolarHBondContact O-N 3.48Å; D152-C154 PolarHBondContact O-N 3.5Å; D152-C154 VanDerWaalsContact O-N 3.1Å; C154-H259 PolarHBondContact SG-CE1 3.07Å
155	Q	94.7	Very high	93	Very high	31 Å²	31	42.8 Å²	42.8	15%	0.145	23%	0.227	C	C	.	.	H	α-helix	trans	-80	-48.2	177.2	-68.4	-179.6	72.7	0	0	110.7	L109 L139 I148 K151 D152 H157 L158	L109-Q155 HydrophobicContact CD1-CB 3.81Å; L109-Q155 HydrophobicContact CD1-CG 4.16Å; L139-Q155 HydrophobicContact CD1-CG 4.09Å; I148-Q155 HydrophobicContact CD1-CB 4.48Å; I148-Q155 HydrophobicContact CD1-CG 3.84Å; K151-Q155 PolarHBondContact O-N 3.04Å; D152-Q155 PolarHBondContact O-N 3.06Å; Q155-H157 PolarHBondContact O-N 3.39Å; Q155-L158 PolarHBondContact O-N 2.82Å
156	E	92.3	Very high	93	Very high	146 Å²	146	47.9 Å²	47.9	68%	0.682	25%	0.25	S	C	*	.	H	α-helix	trans	-66	-36.5	-176.1	-70	174.9	172.5	0	0	112.9	D152	D152-E156 WeakPolarHBondContact O-CG 3.16Å; D152-E156 PolarHBondContact O-N 3.19Å
157	H	90.7	Very high	92.8	Very high	81 Å²	81	48.1 Å²	48.1	38%	0.375	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.6	-175.8	-60.3	86.9	0	0	0	113.6	F128 I153 Q155 T159	F128-H157 HydrophobicContact CD1-CB 4.4Å; F128-H157 HydrophobicContact CD2-CB 3.54Å; F128-H157 WeakPolarHBondContact CD2-O 3.47Å; F128-H157 HydrophobicContact CE1-CB 3.98Å; F128-H157 HydrophobicContact CE2-CB 3.07Å; F128-H157 AromaticContact CE2-CG 3.96Å; F128-H157 HydrophobicContact CG-CB 4.17Å; F128-H157 HydrophobicContact CZ-CB 3.27Å; F128-H157 AromaticContact CZ-CG 3.74Å; I153-H157 WeakPolarHBondContact O-CB 3.3Å; I153-H157 PolarHBondContact O-ND1 3.31Å; Q155-H157 PolarHBondContact O-N 3.39Å; H157-T159 PolarHBondContact O-N 3.02Å; H157-T159 VanDerWaalsContact O-N 3.16Å
158	L	93.2	Very high	92.6	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.273	C	S	.	.			trans	-62.6	117.2	171.8	178.9	65.3	0	0	0	110	L109 K110 F114 E127 I148 Q155	L109-L158 HydrophobicContact CB-CD2 4.2Å; K110-L158 WeakPolarHBondContact CE-O 3.42Å; F114-L158 HydrophobicContact CE2-CD2 3.56Å; F114-L158 HydrophobicContact CZ-CD2 3.8Å; E127-L158 HydrophobicContact CB-CD1 4.03Å; E127-L158 HydrophobicContact CG-CD1 3.97Å; I148-L158 HydrophobicContact CG2-CD1 4.1Å; Q155-L158 PolarHBondContact O-N 2.82Å
159	T	89.1	Confident	92.3	Very high	95 Å²	95	50.2 Å²	50.2	58%	0.583	27%	0.273	S	S	*	.			trans	-93.1	-40.4	-175.6	54.4	0	0	0	0	113.4	H157	H157-T159 PolarHBondContact O-N 3.02Å; H157-T159 VanDerWaalsContact O-N 3.16Å
160	R	93.3	Very high	92	Very high	14 Å²	14	54.1 Å²	54.1	5%	0.053	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-81.4	132.1	-172.8	-82.8	-177.9	-70.4	-70.7	-12.4	113.3	H112 E127 E207 R313 S314	H112-R160 PolarHBondContact NE2-O 2.97Å; E127-R160 PolarHBondContact O-NH2 3.41Å; E127-R160 IonicContact OE1-CZ 2.71Å; E127-R160 IonicContact OE1-NE 3.77Å; E127-R160 PolarHBondContact OE1-NE 3.06Å; E127-R160 IonicContact OE1-NH2 3.76Å; E127-R160 PolarHBondContact OE1-NH2 2.76Å; R160-E207 IonicContact NH1-OE1 3.59Å; R160-R313 VanDerWaalsContact NE-CG 3.28Å; R160-S314 WeakPolarHBondContact CD-OG 3.19Å
161	V	95.2	Very high	91.7	Very high	100 Å²	100	52 Å²	52	61%	0.606	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-77.9	147	175.8	178.5	0	0	0	0	110.3	K110 P163	K110-V161 HydrophobicContact CB-CG2 4.33Å; K110-V161 CarbonylContact O-C 3.48Å; K110-V161 VanDerWaalsContact O-CA 3.31Å; K110-V161 WeakPolarHBondContact O-CA 3.42Å; K110-V161 WeakPolarHBondContact O-CG1 3.13Å; V161-P163 WeakPolarHBondContact O-CD 3.27Å
162	C	96.4	Very high	91.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.034	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.2	124	173.5	-168.5	0	0	0	0	109.9	K110 G111 H112 A164 P165	K110-C162 PolarHBondContact O-N 2.72Å; G111-C162 VanDerWaalsContact O-CB 3.3Å; G111-C162 WeakPolarHBondContact O-CB 3.33Å; H112-C162 HydrophobicContact CB-CB 4.39Å; H112-C162 WeakPolarHBondContact CE1-CA 3.44Å; H112-C162 VanDerWaalsContact CE1-CB 3.46Å; H112-C162 WeakPolarHBondContact CE1-CB 3.34Å; H112-C162 WeakPolarHBondContact ND1-CB 3.46Å; H112-C162 PolarHBondContact NE2-N 2.91Å; H112-C162 VanDerWaalsContact NE2-N 3.19Å; C162-A164 VanDerWaalsContact C-N 3.26Å; C162-A164 PolarHBondContact O-N 3.47Å; C162-A164 WeakPolarHBondContact SG-CB 3.35Å; C162-P165 WeakPolarHBondContact O-CD 3.43Å
163	P	94	Very high	90.8	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.091	24%	0.24	C	C	.	.	S	Bend	trans	-77.5	-13.4	174	28.7	-30.6	0	0	0	112.3	V161 E166 L167 I317 K318 I321	V161-P163 WeakPolarHBondContact O-CD 3.27Å; P163-E166 HydrophobicContact CB-CG 4.48Å; P163-E166 WeakPolarHBondContact O-CG 3.49Å; P163-E166 PolarHBondContact O-N 3.01Å; P163-L167 HydrophobicContact CB-CD1 4.33Å; P163-L167 WeakPolarHBondContact O-CD1 3.39Å; P163-L167 WeakPolarHBondContact O-CG 3.46Å; P163-L167 PolarHBondContact O-N 3.49Å; P163-I317 HydrophobicContact CG-CG2 3.75Å; P163-K318 HydrophobicContact CB-CB 4.34Å; P163-K318 HydrophobicContact CB-CG 4.49Å; P163-K318 HydrophobicContact CG-CB 4.37Å; P163-I321 HydrophobicContact CG-CD1 3.76Å
164	A	92.1	Very high	90.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-40.9	-173.7	0	0	0	0	0	115	N143 C162 L167 G168 I169 I321	N143-A164 HydrophobicContact CB-CB 3.46Å; N143-A164 VanDerWaalsContact CB-CB 3.46Å; N143-A164 WeakPolarHBondContact O-CB 3.25Å; C162-A164 VanDerWaalsContact C-N 3.26Å; C162-A164 PolarHBondContact O-N 3.47Å; C162-A164 WeakPolarHBondContact SG-CB 3.35Å; A164-L167 PolarHBondContact O-N 2.83Å; A164-G168 PolarHBondContact O-N 3.44Å; A164-G168 VanDerWaalsContact O-N 3.11Å; A164-I169 VanDerWaalsContact CB-O 3.23Å; A164-I169 WeakPolarHBondContact CB-O 3.01Å; A164-I169 PolarHBondContact O-N 2.86Å; A164-I321 HydrophobicContact CB-CD1 4.03Å
165	P	90.1	Very high	89.2	Confident	74 Å²	74	41.8 Å²	41.8	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41.6	176.8	-24.6	36	0	0	0	114.1	C162 L167 G168	C162-P165 WeakPolarHBondContact O-CD 3.43Å; P165-L167 PolarHBondContact O-N 2.89Å; P165-G168 PolarHBondContact O-N 3.1Å; P165-G168 VanDerWaalsContact O-N 3.13Å
166	E	89.2	Confident	88.3	Confident	125 Å²	125	44.1 Å²	44.1	58%	0.584	25%	0.252	S	S	*	.	H	α-helix	trans	-67.3	-28.4	176.9	59.4	166.3	-144.8	0	0	112	P163 G168 K318	P163-E166 HydrophobicContact CB-CG 4.48Å; P163-E166 WeakPolarHBondContact O-CG 3.49Å; P163-E166 PolarHBondContact O-N 3.01Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-K318 IonicContact OE1-NZ 3.52Å; E166-K318 PolarHBondContact OE1-NZ 3.37Å
167	L	89.2	Confident	87.7	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-78.2	-16.5	175.8	-60.3	171.4	0	0	0	112.6	P163 A164 P165 I169 L186 K318 I321 I322	P163-L167 HydrophobicContact CB-CD1 4.33Å; P163-L167 WeakPolarHBondContact O-CD1 3.39Å; P163-L167 WeakPolarHBondContact O-CG 3.46Å; P163-L167 PolarHBondContact O-N 3.49Å; A164-L167 PolarHBondContact O-N 2.83Å; P165-L167 PolarHBondContact O-N 2.89Å; L167-I169 VanDerWaalsContact C-N 3.26Å; L167-I169 HydrophobicContact CB-CB 4.25Å; L167-I169 HydrophobicContact CB-CD1 3.67Å; L167-I169 HydrophobicContact CB-CG1 3.86Å; L167-I169 HydrophobicContact CD1-CD1 4.15Å; L167-I169 HydrophobicContact CG-CD1 4.44Å; L167-L186 HydrophobicContact CD2-CD1 3.91Å; L167-L186 HydrophobicContact CD2-CD2 3.05Å; L167-L186 HydrophobicContact CD2-CG 4.05Å; L167-K318 HydrophobicContact CD1-CG 4.45Å; L167-I321 HydrophobicContact CD1-CB 4.11Å; L167-I321 HydrophobicContact CD1-CD1 4.17Å; L167-I321 HydrophobicContact CD1-CG2 3.81Å; L167-I322 HydrophobicContact CD1-CG2 4.11Å; L167-I322 HydrophobicContact CD2-CG2 4.06Å
168	G	88.1	Confident	86.9	Confident	46 Å²	46	35.1 Å²	35.1	47%	0.474	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	25.9	-169	0	0	0	0	0	113.1	A164 P165 E166	A164-G168 PolarHBondContact O-N 3.44Å; A164-G168 VanDerWaalsContact O-N 3.11Å; P165-G168 PolarHBondContact O-N 3.1Å; P165-G168 VanDerWaalsContact O-N 3.13Å; E166-G168 VanDerWaalsContact C-N 3.29Å
169	I	86.8	Confident	86.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	21%	0.213	C	C	.	.			trans	-108.8	116	-177.6	-60	166.7	0	0	0	108.5	A164 L167 W172 I321 S325	A164-I169 VanDerWaalsContact CB-O 3.23Å; A164-I169 WeakPolarHBondContact CB-O 3.01Å; A164-I169 PolarHBondContact O-N 2.86Å; L167-I169 VanDerWaalsContact C-N 3.26Å; L167-I169 HydrophobicContact CB-CB 4.25Å; L167-I169 HydrophobicContact CB-CD1 3.67Å; L167-I169 HydrophobicContact CB-CG1 3.86Å; L167-I169 HydrophobicContact CD1-CD1 4.15Å; L167-I169 HydrophobicContact CG-CD1 4.44Å; I169-W172 HydrophobicContact CG2-CB 4.23Å; I169-I321 HydrophobicContact CB-CG2 4.07Å; I169-I321 HydrophobicContact CD1-CG2 3.61Å; I169-I321 HydrophobicContact CG1-CG2 4.46Å; I169-I321 HydrophobicContact CG2-CG2 3.81Å; I169-S325 VanDerWaalsContact CD1-OG 3.26Å; I169-S325 WeakPolarHBondContact CD1-OG 3.31Å
170	T	88.3	Confident	85.9	Confident	83 Å²	83	34 Å²	34	51%	0.509	20%	0.2	S	C	.	.			trans	-119.3	155	177.7	57.6	0	0	0	0	110.3	N143 W172 Y177 P178	N143-T170 WeakPolarHBondContact OD1-CA 3.16Å; T170-W172 VanDerWaalsContact C-N 3.27Å; T170-W172 PolarHBondContact O-N 2.85Å; T170-Y177 VanDerWaalsContact O-CA 3.22Å; T170-Y177 WeakPolarHBondContact O-CA 3.18Å; T170-Y177 VanDerWaalsContact O-CB 3.26Å; T170-Y177 WeakPolarHBondContact O-CB 3.25Å; T170-P178 WeakPolarHBondContact O-CD 3.33Å
171	G	86.1	Confident	85.4	Confident	11 Å²	11	35.1 Å²	35.1	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	74.1	10.2	179.2	0	0	0	0	0	115.4	R142 N143 G173 E174 G175 N176	R142-G171 CarbonylContact O-C 3.52Å; R142-G171 VanDerWaalsContact O-CA 3.23Å; R142-G171 WeakPolarHBondContact O-CA 3.27Å; N143-G171 PolarHBondContact OD1-N 2.79Å; G171-G173 PolarHBondContact O-N 3.32Å; G171-E174 CarbonylContact O-C 3.51Å; G171-E174 PolarHBondContact O-N 3.27Å; G171-E174 VanDerWaalsContact O-N 3.15Å; G171-G175 PolarHBondContact O-N 3.21Å; G171-G175 VanDerWaalsContact O-N 3.09Å; G171-N176 PolarHBondContact O-N 2.87Å
172	W	87.1	Confident	84.5	Confident	5 Å²	5	32.3 Å²	32.3	2%	0.019	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-48	180	-171.2	92	0	0	0	112.9	R142 N143 P145 I169 T170 E174 G175 Y177 R320 I321 D324	R142-W172 PolarHBondContact O-N 3.13Å; R142-W172 VanDerWaalsContact O-N 3.1Å; N143-W172 VanDerWaalsContact O-CB 3.29Å; N143-W172 WeakPolarHBondContact O-CB 3.29Å; P145-W172 HydrophobicContact CB-CH2 3.94Å; P145-W172 HydrophobicContact CB-CZ3 3.63Å; P145-W172 HydrophobicContact CG-CH2 4.24Å; P145-W172 HydrophobicContact CG-CZ3 4.06Å; I169-W172 HydrophobicContact CG2-CB 4.23Å; T170-W172 VanDerWaalsContact C-N 3.27Å; T170-W172 PolarHBondContact O-N 2.85Å; W172-E174 PolarHBondContact O-N 3.28Å; W172-G175 PolarHBondContact O-N 2.94Å; W172-Y177 VanDerWaalsContact CA-CD1 3.49Å; W172-Y177 HydrophobicContact CB-CD1 4.23Å; W172-Y177 HydrophobicContact CB-CG 4.36Å; W172-Y177 AromaticContact CD1-CD1 3.92Å; W172-Y177 AromaticContact CD1-CE1 3.92Å; W172-Y177 AromaticContact CD1-CG 3.96Å; W172-Y177 AromaticContact CD1-CZ 3.99Å; W172-Y177 HydrophobicContact CG-CD1 4.22Å; W172-Y177 HydrophobicContact CG-CE1 4.42Å; W172-Y177 HydrophobicContact CG-CG 4.47Å; W172-R320 WeakPolarHBondContact CZ2-O 3.48Å; W172-I321 HydrophobicContact CD2-CG1 4.31Å; W172-I321 HydrophobicContact CG-CG1 4.39Å; W172-I321 HydrophobicContact CG-CG2 4.23Å; W172-I321 PolarHBondContact NE1-O 3.02Å; W172-D324 PolarHBondContact NE1-OD1 3.42Å
173	G	81.7	Confident	83	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	179	0	0	0	0	0	112.5	L28 H29 R142 G171	L28-G173 PolarHBondContact N-O 3.08Å; H29-G173 PolarHBondContact CD2-O 3.45Å; H29-G173 VanDerWaalsContact NE2-CA 3.3Å; H29-G173 WeakPolarHBondContact NE2-CA 3.34Å; H29-G173 PolarHBondContact NE2-O 2.99Å; R142-G173 WeakPolarHBondContact O-CA 3.37Å; R142-G173 PolarHBondContact O-N 3.34Å; G171-G173 PolarHBondContact O-N 3.32Å
174	E	81.5	Confident	81.6	Confident	30 Å²	30	41.1 Å²	41.1	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.5	177.9	-59.6	-169.4	156.6	0	0	114.5	F27 Y140 R142 G171 W172 N176	F27-E174 HydrophobicContact CD1-CB 3.67Å; F27-E174 HydrophobicContact CD1-CG 3.68Å; F27-E174 HydrophobicContact CE1-CB 3.82Å; F27-E174 HydrophobicContact CE1-CG 3.62Å; F27-E174 HydrophobicContact CG-CG 4.47Å; F27-E174 HydrophobicContact CZ-CG 4.42Å; Y140-E174 HydrophobicContact CE2-CG 4.41Å; R142-E174 HydrophobicContact CB-CG 4.3Å; R142-E174 HydrophobicContact CG-CG 4.41Å; R142-E174 IonicContact CZ-OE1 3.34Å; R142-E174 VanDerWaalsContact CZ-OE1 3.32Å; R142-E174 IonicContact CZ-OE2 3.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 2.93Å; R142-E174 IonicContact NE-OE2 3.02Å; R142-E174 PolarHBondContact NE-OE2 3.11Å; R142-E174 VanDerWaalsContact NH2-CD 3.34Å; R142-E174 IonicContact NH2-OE1 3.54Å; R142-E174 PolarHBondContact NH2-OE1 2.82Å; R142-E174 IonicContact NH2-OE2 2.64Å; R142-E174 PolarHBondContact NH2-OE2 3.35Å; G171-E174 CarbonylContact O-C 3.51Å; G171-E174 PolarHBondContact O-N 3.27Å; G171-E174 VanDerWaalsContact O-N 3.15Å; W172-E174 PolarHBondContact O-N 3.28Å; E174-N176 PolarHBondContact O-N 3.25Å
175	G	74.3	Confident	80.2	Confident	7 Å²	7	44.9 Å²	44.9	7%	0.072	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	16.7	-174.4	0	0	0	0	0	114.8	G171 W172	G171-G175 PolarHBondContact O-N 3.21Å; G171-G175 VanDerWaalsContact O-N 3.09Å; W172-G175 PolarHBondContact O-N 2.94Å
176	N	75.5	Confident	79.5	Confident	80 Å²	80	44.5 Å²	44.5	43%	0.428	26%	0.255	S	S	.	.			trans	-111.1	26.9	179.9	-67.1	-42.6	0	0	0	112.1	S42 G171 E174	S42-N176 PolarHBondContact OG-OD1 3.06Å; G171-N176 PolarHBondContact O-N 2.87Å; E174-N176 PolarHBondContact O-N 3.25Å
177	Y	78.9	Confident	79.1	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.016	23%	0.231	C	C	.	.			trans	-80.6	145.6	-177.4	53.8	-78.8	0	0	0	112.3	L28 R39 S43 T170 W172 D324 S325	L28-Y177 HydrophobicContact CD2-CE1 3.74Å; R39-Y177 PolarHBondContact NH1-OH 3.09Å; S43-Y177 PolarHBondContact OG-O 3.49Å; T170-Y177 VanDerWaalsContact O-CA 3.22Å; T170-Y177 WeakPolarHBondContact O-CA 3.18Å; T170-Y177 VanDerWaalsContact O-CB 3.26Å; T170-Y177 WeakPolarHBondContact O-CB 3.25Å; W172-Y177 VanDerWaalsContact CA-CD1 3.49Å; W172-Y177 HydrophobicContact CB-CD1 4.23Å; W172-Y177 HydrophobicContact CB-CG 4.36Å; W172-Y177 AromaticContact CD1-CD1 3.92Å; W172-Y177 AromaticContact CD1-CE1 3.92Å; W172-Y177 AromaticContact CD1-CG 3.96Å; W172-Y177 AromaticContact CD1-CZ 3.99Å; W172-Y177 HydrophobicContact CG-CD1 4.22Å; W172-Y177 HydrophobicContact CG-CE1 4.42Å; W172-Y177 HydrophobicContact CG-CG 4.47Å; Y177-D324 PolarHBondContact OH-OD1 3.15Å; Y177-D324 PolarHBondContact OH-OD2 3.36Å; Y177-S325 VanDerWaalsContact CD2-CB 3.46Å
178	P	75.6	Confident	78.9	Confident	35 Å²	35	43.7 Å²	43.7	23%	0.227	26%	0.255	C	S	.	.			trans	-68.7	150.5	169.5	31.7	-35.8	0	0	0	111.4	T170	T170-P178 WeakPolarHBondContact O-CD 3.33Å
179	I	79.3	Confident	78.8	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.234	C	C	.	.			trans	-90.7	110.4	167.1	-56.2	175.8	0	0	0	107.2	F44 H47 S325 I327 R387	F44-I179 HydrophobicContact CD1-CD1 3.95Å; F44-I179 HydrophobicContact CE1-CD1 4.01Å; H47-I179 PolarHBondContact CE1-O 2.9Å; H47-I179 PolarHBondContact NE2-O 3.45Å; I179-S325 CarbonylContact C-O 3.46Å; I179-S325 WeakPolarHBondContact CA-O 3.42Å; I179-I327 HydrophobicContact CG2-CD1 3.34Å; I179-I327 HydrophobicContact CG2-CG1 3.61Å; I179-R387 HydrophobicContact CG2-CG 4.42Å
180	K	81.8	Confident	78.6	Confident	72 Å²	72	47.8 Å²	47.8	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.8	-175.4	-167.8	-173.8	-179.2	-157.4	0	110.8	E182 S325 L326 I327	K180-E182 WeakPolarHBondContact CE-OE2 3.38Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.13Å; K180-S325 PolarHBondContact N-O 2.92Å; K180-L326 HydrophobicContact CB-CD1 3.89Å; K180-L326 HydrophobicContact CD-CD1 4.19Å; K180-L326 HydrophobicContact CG-CD1 4.29Å; K180-I327 PolarHBondContact O-N 3.23Å
181	F	81.7	Confident	78.5	Confident	39 Å²	39	45.8 Å²	45.8	17%	0.171	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.9	164.6	-77.2	-94.7	0	0	0	109.6	H47 I327 Y378 P439	H47-F181 AromaticContact ND1-CE2 3.9Å; F181-I327 HydrophobicContact CD1-CB 3.91Å; F181-I327 HydrophobicContact CD1-CD1 4.34Å; F181-I327 HydrophobicContact CD1-CG2 3.7Å; F181-I327 HydrophobicContact CD2-CD1 4.21Å; F181-I327 HydrophobicContact CE1-CB 3.8Å; F181-I327 HydrophobicContact CE1-CD1 3.57Å; F181-I327 HydrophobicContact CE1-CG1 4.25Å; F181-I327 HydrophobicContact CE1-CG2 3.39Å; F181-I327 HydrophobicContact CE2-CD1 3.39Å; F181-I327 HydrophobicContact CE2-CG1 4.49Å; F181-I327 HydrophobicContact CG-CB 4.37Å; F181-I327 HydrophobicContact CZ-CB 4.12Å; F181-I327 HydrophobicContact CZ-CD1 3Å; F181-I327 HydrophobicContact CZ-CG1 4.1Å; F181-I327 HydrophobicContact CZ-CG2 4.08Å; F181-Y378 HydrophobicContact CZ-CD1 4.48Å; F181-Y378 HydrophobicContact CZ-CG 4.07Å; F181-P439 HydrophobicContact CD1-CG 3.48Å; F181-P439 VanDerWaalsContact CD1-CG 3.48Å; F181-P439 HydrophobicContact CD2-CB 3.59Å; F181-P439 HydrophobicContact CD2-CG 3.39Å; F181-P439 WeakPolarHBondContact CD2-O 3.38Å; F181-P439 HydrophobicContact CE1-CB 4.24Å; F181-P439 HydrophobicContact CE1-CG 3.09Å; F181-P439 HydrophobicContact CE2-CB 3.24Å; F181-P439 HydrophobicContact CE2-CG 3.03Å; F181-P439 HydrophobicContact CG-CB 4.24Å; F181-P439 HydrophobicContact CG-CG 3.6Å; F181-P439 HydrophobicContact CZ-CB 3.61Å; F181-P439 HydrophobicContact CZ-CG 2.86Å
182	E	75.7	Confident	78.5	Confident	40 Å²	40	46.8 Å²	46.8	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.1	-179.3	-172.7	66.9	-105.5	0	0	109.1	K180 S184 L326 I327	K180-E182 WeakPolarHBondContact CE-OE2 3.38Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.13Å; E182-S184 WeakPolarHBondContact CG-O 3.38Å; E182-L326 HydrophobicContact CB-CD1 3.54Å; E182-L326 HydrophobicContact CB-CD2 4.45Å; E182-L326 HydrophobicContact CB-CG 4.11Å; E182-L326 HydrophobicContact CG-CD1 4.35Å; E182-I327 PolarHBondContact N-O 2.86Å; E182-I327 VanDerWaalsContact N-O 3.14Å
183	E	66.6	Low	78.3	Confident	117 Å²	117	48.8 Å²	48.8	55%	0.547	27%	0.266	S	S	.	.	S	Bend	trans	-80.8	-30.4	175.6	-69.4	-173.9	173.9	0	0	111.5	K438	E183-K438 WeakPolarHBondContact OE1-CD 3.28Å; E183-K438 WeakPolarHBondContact OE1-CE 3.09Å; E183-K438 IonicContact OE1-NZ 3.93Å; E183-K438 PolarHBondContact OE1-NZ 3.43Å; E183-K438 IonicContact OE2-NZ 3.37Å
184	S	64.4	Low	78.3	Confident	87 Å²	87	55.2 Å²	55.2	61%	0.608	30%	0.3	S	S	*	.	S	Bend	trans	-92.4	116.4	179.5	-66.6	0	0	0	0	110.5	E182 L186	E182-S184 WeakPolarHBondContact CG-O 3.38Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 3.18Å
185	S	62.4	Low	77.8	Confident	80 Å²	80	58.4 Å²	58.4	56%	0.559	33%	0.326	S	S	*	.			trans	-58.8	89.3	-179.4	-57.8	0	0	0	0	112.1	I187	S185-I187 WeakPolarHBondContact CB-O 3.01Å; S185-I187 PolarHBondContact O-N 3.23Å
186	L	74.2	Confident	77.1	Confident	65 Å²	65	59.5 Å²	59.5	34%	0.34	33%	0.334	S	S	.	.	S	Bend	trans	-56.8	-20.1	168.3	179.7	108.9	0	0	0	111.3	L167 S184 I322 L326	L167-L186 HydrophobicContact CD2-CD1 3.91Å; L167-L186 HydrophobicContact CD2-CD2 3.05Å; L167-L186 HydrophobicContact CD2-CG 4.05Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 3.18Å; L186-I322 HydrophobicContact CD2-CG2 4.33Å; L186-L326 HydrophobicContact CD2-CD2 4.25Å
187	I	81	Confident	76.2	Confident	15 Å²	15	63.5 Å²	63.5	8%	0.077	36%	0.355	C	S	.	.	S	Bend	trans	-129.4	128.2	174.8	-64.3	153.5	0	0	0	107.7	S185 L189 P297 I322	S185-I187 WeakPolarHBondContact CB-O 3.01Å; S185-I187 PolarHBondContact O-N 3.23Å; I187-L189 HydrophobicContact CG2-CD2 4.36Å; I187-L189 PolarHBondContact O-N 3.36Å; I187-L189 VanDerWaalsContact O-N 3.13Å; I187-P297 HydrophobicContact CG2-CG 4.35Å; I187-I322 HydrophobicContact CD1-CB 4.41Å; I187-I322 HydrophobicContact CD1-CD1 2.96Å; I187-I322 HydrophobicContact CD1-CG1 4.17Å; I187-I322 HydrophobicContact CD1-CG2 4.2Å; I187-I322 HydrophobicContact CG1-CD1 4.36Å
188	D	85.4	Confident	75	Confident	98 Å²	98	67.1 Å²	67.1	52%	0.524	38%	0.378	S	S	.	.			trans	-68.9	108	173.1	-168.6	-13.2	0	0	0	109.8	E190 A191	D188-E190 WeakPolarHBondContact OD1-CA 3.19Å; D188-E190 PolarHBondContact OD1-N 3.3Å; D188-A191 HydrophobicContact CB-CB 3.87Å; D188-A191 PolarHBondContact OD1-N 3.17Å; D188-A191 WeakPolarHBondContact OD2-CB 3.49Å
189	L	86.2	Confident	74.1	Confident	8 Å²	8	69 Å²	69	4%	0.042	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.3	177	-60.2	-174.5	0	0	0	112.4	I187 P297 G298 F301 L328 P331	I187-L189 HydrophobicContact CG2-CD2 4.36Å; I187-L189 PolarHBondContact O-N 3.36Å; I187-L189 VanDerWaalsContact O-N 3.13Å; L189-P297 HydrophobicContact CD2-CB 3.49Å; L189-P297 VanDerWaalsContact CD2-CB 3.49Å; L189-P297 HydrophobicContact CD2-CG 4.45Å; L189-G298 WeakPolarHBondContact O-CA 3.43Å; L189-F301 HydrophobicContact CB-CD2 3.99Å; L189-F301 HydrophobicContact CB-CE2 4.41Å; L189-F301 HydrophobicContact CD1-CD2 4.2Å; L189-F301 HydrophobicContact CD1-CE2 3.81Å; L189-F301 HydrophobicContact CD1-CZ 4.37Å; L189-F301 HydrophobicContact CD2-CD2 4Å; L189-F301 HydrophobicContact CD2-CE2 3.77Å; L189-F301 HydrophobicContact CG-CD2 4.29Å; L189-F301 HydrophobicContact CG-CE2 4.22Å; L189-L328 HydrophobicContact CD1-CB 4.45Å; L189-L328 HydrophobicContact CD2-CD1 4.23Å; L189-P331 HydrophobicContact CB-CG 4.43Å
190	E	82.5	Confident	73.6	Confident	124 Å²	124	76.9 Å²	76.9	58%	0.579	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	7	-177.5	-60.3	-175	171.8	0	0	112	D188 L302	D188-E190 WeakPolarHBondContact OD1-CA 3.19Å; D188-E190 PolarHBondContact OD1-N 3.3Å; E190-L302 VanDerWaalsContact C-CD1 3.43Å; E190-L302 HydrophobicContact CB-CD1 4.49Å; E190-L302 WeakPolarHBondContact O-CD1 3.29Å
191	A	85.5	Confident	73.4	Confident	42 Å²	42	75.2 Å²	75.2	35%	0.347	44%	0.439	S	S	.	.			trans	-98.4	122	171.1	0	0	0	0	0	111.6	D188	D188-A191 HydrophobicContact CB-CB 3.87Å; D188-A191 PolarHBondContact OD1-N 3.17Å; D188-A191 WeakPolarHBondContact OD2-CB 3.49Å
192	V	86.3	Confident	73.4	Confident	32 Å²	32	76.8 Å²	76.8	19%	0.194	46%	0.455	C	S	.	.			trans	-130.7	129.5	172.4	179	0	0	0	0	111.3	L194 G298 L302 L303	V192-L194 HydrophobicContact CG1-CD2 3.79Å; V192-L194 HydrophobicContact CG1-CG 4.1Å; V192-L194 PolarHBondContact O-N 3.13Å; V192-G298 WeakPolarHBondContact CG2-O 3.14Å; V192-L302 HydrophobicContact CB-CD1 4.34Å; V192-L302 HydrophobicContact CG2-CB 3.98Å; V192-L302 HydrophobicContact CG2-CD1 3.63Å; V192-L302 HydrophobicContact CG2-CG 4.35Å; V192-L303 HydrophobicContact CG1-CD1 3.77Å; V192-L303 HydrophobicContact CG1-CG 4.23Å
193	F	83.9	Confident	73.8	Confident	47 Å²	47	76.8 Å²	76.8	21%	0.206	46%	0.456	C	S	.	.			trans	-76.8	106.6	168.7	179.9	-104.7	0	0	0	110.3	A196 I276 H278 G281	F193-A196 HydrophobicContact CE2-CB 3.79Å; F193-A196 HydrophobicContact CZ-CB 3.78Å; F193-I276 HydrophobicContact CD1-CG2 4.48Å; F193-I276 HydrophobicContact CE1-CG2 3.82Å; F193-I276 HydrophobicContact CE2-CG2 4.32Å; F193-I276 HydrophobicContact CZ-CD1 4.35Å; F193-I276 HydrophobicContact CZ-CG2 3.73Å; F193-H278 VanDerWaalsContact CB-O 3.28Å; F193-H278 WeakPolarHBondContact CB-O 3.36Å; F193-G281 VanDerWaalsContact CD2-CA 3.43Å
194	L	80.9	Confident	74.9	Confident	134 Å²	134	74.3 Å²	74.3	70%	0.702	44%	0.444	S	S	*	.			trans	-96.5	-26.1	179.6	-68	176	0	0	0	113.8	V192 L303	V192-L194 HydrophobicContact CG1-CD2 3.79Å; V192-L194 HydrophobicContact CG1-CG 4.1Å; V192-L194 PolarHBondContact O-N 3.13Å; L194-L303 HydrophobicContact CD2-CD1 3.71Å; L194-L303 HydrophobicContact CD2-CD2 4.01Å; L194-L303 HydrophobicContact CD2-CG 4.42Å
195	S	71.3	Confident	76.2	Confident	98 Å²	98	70.3 Å²	70.3	69%	0.685	42%	0.416	S	S	*	.	S	Bend	trans	175.9	150.9	168.6	-177.2	0	0	0	0	107.2
196	A	60.9	Low	77.6	Confident	30 Å²	30	72.3 Å²	72.3	25%	0.248	41%	0.414	C	S	.	.			trans	-76.6	131.3	177.5	0	0	0	0	0	109.9	F193 P198	F193-A196 HydrophobicContact CE2-CB 3.79Å; F193-A196 HydrophobicContact CZ-CB 3.78Å; A196-P198 HydrophobicContact CB-CG 4.31Å; A196-P198 VanDerWaalsContact O-CD 3.29Å; A196-P198 WeakPolarHBondContact O-CD 3.45Å
197	L	55.8	Low	78.5	Confident	164 Å²	164	72.2 Å²	72.2	86%	0.859	41%	0.412	S	S	*	.			trans	-83	103.9	134.3	-91.8	126.6	0	0	0	105.7	G199	L197-G199 PolarHBondContact O-N 3.24Å
198	P	54.4	Low	79	Confident	79 Å²	79	74.3 Å²	74.3	51%	0.513	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-57.3	-15.5	-177.9	-25.5	35.8	0	0	0	114.4	A196 L200 Q201 Y283	A196-P198 HydrophobicContact CB-CG 4.31Å; A196-P198 VanDerWaalsContact O-CD 3.29Å; A196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-L200 PolarHBondContact O-N 3.01Å; P198-Q201 PolarHBondContact O-N 3.37Å; P198-Y283 WeakPolarHBondContact CA-OH 3.43Å; P198-Y283 HydrophobicContact CB-CE2 4.21Å; P198-Y283 WeakPolarHBondContact CB-OH 3.44Å; P198-Y283 VanDerWaalsContact CG-OH 3.24Å; P198-Y283 WeakPolarHBondContact CG-OH 3.15Å
199	G	55.9	Low	79.2	Confident	76 Å²	76	71.7 Å²	71.7	78%	0.784	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-65.2	-10.1	-159.9	0	0	0	0	0	117	L197	L197-G199 PolarHBondContact O-N 3.24Å
200	L	68	Low	79.3	Confident	167 Å²	167	72 Å²	72	87%	0.874	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-102.2	-15.6	-176.1	-77	151.9	0	0	0	114.3	P198	P198-L200 PolarHBondContact O-N 3.01Å
201	Q	78.4	Confident	79.6	Confident	37 Å²	37	69.4 Å²	69.4	17%	0.173	42%	0.419	C	S	.	.	S	Bend	trans	-99.3	133.5	177.7	-167.1	-179.8	-31.7	0	0	110.4	P198 K204 K282 Y283	P198-Q201 PolarHBondContact O-N 3.37Å; Q201-K204 PolarHBondContact NE2-O 3.27Å; Q201-K282 VanDerWaalsContact OE1-CB 3.28Å; Q201-Y283 HydrophobicContact CB-CD2 4.03Å; Q201-Y283 HydrophobicContact CB-CE2 4.36Å; Q201-Y283 HydrophobicContact CG-CD2 4.28Å; Q201-Y283 PolarHBondContact NE2-O 3.18Å; Q201-Y283 VanDerWaalsContact NE2-O 3.12Å
202	S	80.8	Confident	79.6	Confident	73 Å²	73	67.8 Å²	67.8	51%	0.51	40%	0.404	S	S	.	.			trans	-60.8	158.1	169.2	59.1	0	0	0	0	110.9	K204	S202-K204 PolarHBondContact O-N 2.96Å
203	N	85.7	Confident	79.3	Confident	39 Å²	39	69 Å²	69	21%	0.209	41%	0.41	C	S	.	.	S	Bend	trans	-70.6	56.3	175.3	178.2	26.2	0	0	0	112.2	V211 L212 D213 S216	N203-V211 WeakPolarHBondContact O-CA 3.33Å; N203-L212 PolarHBondContact O-N 3.44Å; N203-L212 WeakPolarHBondContact OD1-CB 3.16Å; N203-L212 PolarHBondContact OD1-N 2.8Å; N203-D213 PolarHBondContact ND2-O 3.28Å; N203-D213 PolarHBondContact OD1-N 2.83Å; N203-S216 PolarHBondContact ND2-O 3.24Å; N203-S216 PolarHBondContact ND2-OG 2.81Å
204	K	89.2	Confident	78.6	Confident	66 Å²	66	69.8 Å²	69.8	29%	0.287	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-140.7	139.8	-176.8	-65.5	-179.2	-176.6	169.9	0	108.8	Q201 S202 F206 C210 E219	Q201-K204 PolarHBondContact NE2-O 3.27Å; S202-K204 PolarHBondContact O-N 2.96Å; K204-F206 PolarHBondContact O-N 3.13Å; K204-C210 CarbonylContact C-O 3.56Å; K204-C210 WeakPolarHBondContact CA-O 3.17Å; K204-E219 IonicContact NZ-OE1 2.71Å; K204-E219 IonicContact NZ-OE2 3.73Å; K204-E219 PolarHBondContact NZ-OE2 3.2Å
205	C	92.2	Very high	78	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.02	42%	0.424	C	S	.	.			trans	-57.1	127.9	170.8	177.1	0	0	0	0	109.2	E207 C208 G209 C210 L212 C285	C205-E207 PolarHBondContact O-N 3.23Å; C205-C208 PolarHBondContact SG-SG 3.46Å; C205-G209 WeakPolarHBondContact O-CA 3.5Å; C205-G209 PolarHBondContact O-N 3.25Å; C205-C210 PolarHBondContact N-O 2.89Å; C205-L212 HydrophobicContact CB-CD2 3.92Å; C205-C285 HydrophobicContact CB-CB 4.13Å; C205-C285 PolarHBondContact SG-N 2.99Å
206	F	92.2	Very high	77.7	Confident	121 Å²	121	68.9 Å²	68.9	53%	0.531	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.5	-177.9	-175.2	-100.2	0	0	0	113.2	K204 K282 Y283 Y284	K204-F206 PolarHBondContact O-N 3.13Å; F206-K282 HydrophobicContact CB-CB 3.86Å; F206-K282 HydrophobicContact CB-CG 4.46Å; F206-K282 HydrophobicContact CD1-CB 4.39Å; F206-K282 HydrophobicContact CD1-CG 4.33Å; F206-K282 HydrophobicContact CD2-CB 4.13Å; F206-K282 HydrophobicContact CD2-CD 4.18Å; F206-K282 HydrophobicContact CD2-CG 3.81Å; F206-K282 HydrophobicContact CE2-CD 4.36Å; F206-K282 HydrophobicContact CE2-CG 4.09Å; F206-K282 HydrophobicContact CG-CB 3.86Å; F206-K282 HydrophobicContact CG-CG 3.93Å; F206-K282 HydrophobicContact CZ-CG 4.45Å; F206-Y283 WeakPolarHBondContact CB-O 3.16Å; F206-Y283 PolarHBondContact N-O 3.26Å; F206-Y284 HydrophobicContact CB-CD1 4.4Å; F206-Y284 HydrophobicContact CB-CE1 3.96Å; F206-Y284 HydrophobicContact CB-CE2 4.41Å; F206-Y284 HydrophobicContact CD1-CE1 4.05Å; F206-Y284 AromaticContact CD1-CZ 3.85Å; F206-Y284 VanDerWaalsContact CD1-OH 3.31Å; F206-Y284 WeakPolarHBondContact CD1-OH 2.94Å
207	E	92	Very high	77.4	Confident	63 Å²	63	70.6 Å²	70.6	29%	0.294	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-50.1	-177	-173.1	175.9	129.4	0	0	113.2	R160 C205 Y284 C288 S314	R160-E207 IonicContact NH1-OE1 3.59Å; C205-E207 PolarHBondContact O-N 3.23Å; E207-Y284 HydrophobicContact CB-CD1 3.91Å; E207-Y284 HydrophobicContact CB-CE1 3.9Å; E207-C288 HydrophobicContact CB-CB 3.91Å; E207-C288 HydrophobicContact CG-CB 4.29Å; E207-S314 PolarHBondContact OE1-OG 2.79Å; E207-S314 PolarHBondContact OE2-OG 3.08Å
208	C	91	Very high	77.3	Confident	60 Å²	60	71 Å²	71	41%	0.405	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-3.5	-174.5	71.5	0	0	0	0	114.5	C205 C210	C205-C208 PolarHBondContact SG-SG 3.46Å; C208-C210 PolarHBondContact O-N 2.89Å; C208-C210 VanDerWaalsContact O-N 3.12Å; C208-C210 PolarHBondContact SG-SG 2.8Å
209	G	89.5	Confident	77.1	Confident	42 Å²	42	74 Å²	74	43%	0.433	43%	0.432	S	S	.	.			trans	71.3	-0.9	178.4	0	0	0	0	0	115.8	C205	C205-G209 WeakPolarHBondContact O-CA 3.5Å; C205-G209 PolarHBondContact O-N 3.25Å
210	C	89.6	Confident	76.5	Confident	16 Å²	16	78.5 Å²	78.5	11%	0.108	44%	0.438	C	S	.	.			trans	-65.3	144.7	-180	76.6	0	0	0	0	111.3	K204 C205 C208 L212 C285	K204-C210 CarbonylContact C-O 3.56Å; K204-C210 WeakPolarHBondContact CA-O 3.17Å; C205-C210 PolarHBondContact N-O 2.89Å; C208-C210 PolarHBondContact O-N 2.89Å; C208-C210 VanDerWaalsContact O-N 3.12Å; C208-C210 PolarHBondContact SG-SG 2.8Å; C210-L212 PolarHBondContact O-N 3.33Å; C210-C285 WeakPolarHBondContact SG-CB 3.36Å
211	V	89.1	Confident	75.2	Confident	69 Å²	69	79.3 Å²	79.3	42%	0.418	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-61.5	133.3	176.7	-179.9	0	0	0	0	109.8	N203 A271	N203-V211 WeakPolarHBondContact O-CA 3.33Å; V211-A271 WeakPolarHBondContact O-CB 3.23Å; V211-A271 PolarHBondContact O-N 3.18Å
212	L	85.5	Confident	73.4	Confident	7 Å²	7	83.3 Å²	83.3	4%	0.037	46%	0.461	C	S	.	.	S	Bend	trans	-88.6	-40.9	-174.8	-65.1	171.4	0	0	0	112.8	N203 C205 C210 A271 M274 Y283 C285	N203-L212 PolarHBondContact O-N 3.44Å; N203-L212 WeakPolarHBondContact OD1-CB 3.16Å; N203-L212 PolarHBondContact OD1-N 2.8Å; C205-L212 HydrophobicContact CB-CD2 3.92Å; C210-L212 PolarHBondContact O-N 3.33Å; L212-A271 HydrophobicContact CD2-CB 4.09Å; L212-M274 HydrophobicContact CB-CB 4.35Å; L212-M274 HydrophobicContact CB-SD 4.35Å; L212-M274 HydrophobicContact CD1-CG 4.02Å; L212-M274 HydrophobicContact CD1-SD 3.82Å; L212-Y283 HydrophobicContact CD1-CG 4.33Å; L212-C285 HydrophobicContact CD2-CB 3.83Å
213	D	79.6	Confident	71.1	Confident	59 Å²	59	87.5 Å²	87.5	32%	0.316	48%	0.478	S	S	.	.			trans	-134.5	109.1	172.8	165.3	23.4	0	0	0	110.1	N203 H215 S216	N203-D213 PolarHBondContact ND2-O 3.28Å; N203-D213 PolarHBondContact OD1-N 2.83Å; D213-H215 PolarHBondContact O-N 3.1Å; D213-H215 WeakPolarHBondContact OD1-CB 3.32Å; D213-H215 IonicContact OD1-CD2 3.54Å; D213-H215 IonicContact OD1-CG 3.83Å; D213-H215 PolarHBondContact OD1-N 2.89Å; D213-S216 VanDerWaalsContact CB-OG 3.24Å; D213-S216 WeakPolarHBondContact CB-OG 3.44Å; D213-S216 PolarHBondContact O-N 2.95Å; D213-S216 PolarHBondContact O-OG 3.1Å; D213-S216 WeakPolarHBondContact OD2-CB 3.49Å; D213-S216 PolarHBondContact OD2-N 3.31Å; D213-S216 PolarHBondContact OD2-OG 3.41Å
214	S	69.2	Low	68.7	Low	62 Å²	62	92.3 Å²	92.3	43%	0.434	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17	-178.2	44.4	0	0	0	0	114.7
215	H	68.2	Low	65.8	Low	166 Å²	166	98.5 Å²	98.5	77%	0.769	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-19.5	-178.5	-57.1	-67.2	0	0	0	113.7	D213	D213-H215 PolarHBondContact O-N 3.1Å; D213-H215 WeakPolarHBondContact OD1-CB 3.32Å; D213-H215 IonicContact OD1-CD2 3.54Å; D213-H215 IonicContact OD1-CG 3.83Å; D213-H215 PolarHBondContact OD1-N 2.89Å
216	S	64.3	Low	62.8	Low	48 Å²	48	106.4 Å²	106.4	34%	0.336	57%	0.569	S	S	.	*	S	Bend	trans	-97.9	112.2	-178.2	48.7	0	0	0	0	112.4	N203 D213	N203-S216 PolarHBondContact ND2-O 3.24Å; N203-S216 PolarHBondContact ND2-OG 2.81Å; D213-S216 VanDerWaalsContact CB-OG 3.24Å; D213-S216 WeakPolarHBondContact CB-OG 3.44Å; D213-S216 PolarHBondContact O-N 2.95Å; D213-S216 PolarHBondContact O-OG 3.1Å; D213-S216 WeakPolarHBondContact OD2-CB 3.49Å; D213-S216 PolarHBondContact OD2-N 3.31Å; D213-S216 PolarHBondContact OD2-OG 3.41Å
217	G	55.6	Low	59.7	Low	66 Å²	66	107 Å²	107	68%	0.68	58%	0.578	S	S	*	*			trans	68.9	98.3	165.7	0	0	0	0	0	114.6
218	H	53.5	Low	56.8	Low	171 Å²	171	112.9 Å²	112.9	79%	0.792	61%	0.605	S	S	*	*			trans	-77.1	133.1	163.7	-65.4	-63.4	0	0	0	109.9	L220	H218-L220 PolarHBondContact O-N 3.07Å
219	E	50.9	Low	53.8	Low	143 Å²	143	117.1 Å²	117.1	67%	0.668	62%	0.624	S	S	*	*			trans	-62.2	128.1	167.6	-162.9	166.3	-162.4	0	0	107.9	K204 K221	K204-E219 IonicContact NZ-OE1 2.71Å; K204-E219 IonicContact NZ-OE2 3.73Å; K204-E219 PolarHBondContact NZ-OE2 3.2Å; E219-K221 PolarHBondContact O-N 2.73Å
220	L	42.7	Very low	50.9	Low	171 Å²	171	121.9 Å²	121.9	90%	0.895	64%	0.639	S	S	*	*			trans	-59	106.3	170.8	-118.4	115.7	0	0	0	106.5	H218 T222	H218-L220 PolarHBondContact O-N 3.07Å; L220-T222 PolarHBondContact O-N 3.47Å
221	K	40.6	Very low	47.9	Very low	183 Å²	183	127.9 Å²	127.9	80%	0.796	67%	0.67	S	S	*	*			trans	-56	117.7	172.4	-70.4	-176	178.2	-178.4	0	106.5	E219 N223	E219-K221 PolarHBondContact O-N 2.73Å; K221-N223 PolarHBondContact O-N 3.42Å
222	T	39.6	Very low	44.8	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	69%	0.69	S	S	*	*			trans	-57.6	114.3	165.4	39.6	0	0	0	0	106.1	L220 N224	L220-T222 PolarHBondContact O-N 3.47Å; T222-N224 PolarHBondContact O-N 3.31Å
223	N	32.2	Very low	42.2	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	73%	0.725	S	S	*	*			trans	-63.6	78.2	-178.4	-80.1	-24.9	0	0	0	109.8	K221	K221-N223 PolarHBondContact O-N 3.42Å
224	N	35.3	Very low	39.6	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	75%	0.75	S	S	*	*			trans	-112.5	101.5	167.5	-88.6	-14.2	0	0	0	108.1	T222	T222-N224 PolarHBondContact O-N 3.31Å
225	K	30.1	Very low	37.6	Very low	195 Å²	195	144.7 Å²	144.7	85%	0.848	77%	0.771	S	S	*	*			trans	68.8	104.4	164.2	-66.6	176.9	174.2	179.2	0	114.8
226	M	28.6	Very low	35.6	Very low	169 Å²	169	141.2 Å²	141.2	83%	0.833	77%	0.766	S	S	*	*				64.6	108.7	84.4	-76.4	-107.8	141.5	0	0	112.2
227	N	26.8	Very low	34	Very low	135 Å²	135	147 Å²	147	72%	0.722	79%	0.792	S	S	*	*			trans	52.7	114.3	152.5	-72.2	-9.5	0	0	0	117.8
228	E	32	Very low	32.5	Very low	185 Å²	185	153.1 Å²	153.1	86%	0.864	80%	0.8	S	S	*	*				-162.1	114.1	103.2	-101.7	170.9	-169.8	0	0	109.2
229	N	26	Very low	31.5	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	80%	0.802	S	S	*	*			trans	-66.2	127.4	161.6	-67.7	-32.7	0	0	0	106.9
230	N	29.3	Very low	30.6	Very low	142 Å²	142	152.6 Å²	152.6	76%	0.759	81%	0.813	S	S	*	*			trans	-157.9	106.8	148.5	-98.8	-18.2	0	0	0	111.3
231	D	26.3	Very low	29.8	Very low	142 Å²	142	154.1 Å²	154.1	76%	0.759	81%	0.813	S	S	*	*			trans	57.1	110.4	134.3	-67.8	-17	0	0	0	121.1
232	S	24.3	Very low	29.2	Very low	117 Å²	117	157 Å²	157	82%	0.818	82%	0.818	S	S	*	*			trans	-52.7	129.3	154.8	-59.7	0	0	0	0	111.5
233	S	31.2	Very low	28.7	Very low	113 Å²	113	160 Å²	160	79%	0.79	82%	0.824	S	S	*	*			trans	-134.2	100.4	155.9	30.6	0	0	0	0	109.6	N235	S233-N235 PolarHBondContact O-N 2.88Å
234	N	24.3	Very low	28.6	Very low	155 Å²	155	162 Å²	162	83%	0.829	83%	0.825	S	S	*	*			trans	-66.1	111.8	171	-77	-37.9	0	0	0	109.8
235	N	28.3	Very low	28.1	Very low	165 Å²	165	159.9 Å²	159.9	88%	0.882	82%	0.821	S	S	*	*			trans	-107.2	88.5	163	-91.4	-17.8	0	0	0	110.2	S233 L237	S233-N235 PolarHBondContact O-N 2.88Å; N235-L237 PolarHBondContact O-N 3.18Å
236	S	25.6	Very low	28.2	Very low	93 Å²	93	159.2 Å²	159.2	65%	0.65	82%	0.821	S	S	*	*			trans	-74.2	103.1	164.6	152.6	0	0	0	0	108.9
237	L	30.8	Very low	28.3	Very low	171 Å²	171	160.4 Å²	160.4	90%	0.895	82%	0.822	S	S	*	*			trans	-109.3	96.9	161.5	-145	74.1	0	0	0	109.8	N235 S239	N235-L237 PolarHBondContact O-N 3.18Å; L237-S239 PolarHBondContact O-N 3.4Å
238	K	24.8	Very low	28.5	Very low	193 Å²	193	162.8 Å²	162.8	84%	0.839	83%	0.828	S	S	*	*			trans	-64.8	107.7	171.5	-70.2	173.7	177.6	173.3	0	108.8
239	S	31.2	Very low	28.5	Very low	119 Å²	119	159.9 Å²	159.9	83%	0.832	82%	0.823	S	S	*	*			trans	-107.4	137	165.4	-170.2	0	0	0	0	110.3	L237	L237-S239 PolarHBondContact O-N 3.4Å
240	M	31.7	Very low	28.8	Very low	184 Å²	184	160.7 Å²	160.7	91%	0.906	82%	0.82	S	S	*	*			trans	-68.9	136.6	-162.5	-67.6	-160.8	134.9	0	0	113.8	R242	M240-R242 PolarHBondContact O-N 3.22Å
241	K	27.4	Very low	29	Very low	204 Å²	204	159.3 Å²	159.3	89%	0.887	82%	0.821	S	S	*	*			trans	-54.7	114.6	166.8	-89.4	173.2	171.2	172.5	0	110.1
242	R	27.2	Very low	29.5	Very low	242 Å²	242	160.2 Å²	160.2	91%	0.913	82%	0.82	S	S	*	*			trans	-106.3	103.8	154.3	-164.6	156	91.6	155.5	1.9	108.5	M240 K244	M240-R242 PolarHBondContact O-N 3.22Å; R242-K244 PolarHBondContact O-N 3.13Å
243	Q	28.9	Very low	30	Very low	185 Å²	185	160.8 Å²	160.8	86%	0.864	81%	0.813	S	S	*	*			trans	-62.1	116.4	175.5	-67.8	170.8	-64.3	0	0	108.8
244	K	29.8	Very low	30.7	Very low	203 Å²	203	161.9 Å²	161.9	88%	0.883	80%	0.8	S	S	*	*			trans	-120.4	103.5	161.6	-154.9	169.7	-173.1	177.4	0	107.4	R242	R242-K244 PolarHBondContact O-N 3.13Å
245	S	26.5	Very low	31.4	Very low	97 Å²	97	165.1 Å²	165.1	68%	0.678	80%	0.801	S	S	*	*			trans	-66.6	157.5	175	52.8	0	0	0	0	111.6
246	H	31.4	Very low	32.2	Very low	181 Å²	181	160.3 Å²	160.3	84%	0.838	78%	0.777	S	S	*	*			trans	71.2	89.2	165.3	-82.5	-96.6	0	0	0	118.3
247	K	31.5	Very low	33.2	Very low	194 Å²	194	161.1 Å²	161.1	84%	0.843	77%	0.766	S	S	*	*				176.5	78.1	118	-101	172.9	174.9	173.3	0	108.2
248	E	29.7	Very low	34.1	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	74%	0.74	S	S	*	*			trans	-65.1	158	155.3	-64.9	-170	148.2	0	0	108.2
249	V	31.5	Very low	35.4	Very low	125 Å²	125	148.9 Å²	148.9	76%	0.758	71%	0.713	S	S	*	*			trans	86.5	55.8	-170.6	-157.6	0	0	0	0	114.6
250	F	32.4	Very low	36.2	Very low	166 Å²	166	151.2 Å²	151.2	73%	0.728	71%	0.71	S	S	*	*			trans	-156.8	41.8	149.8	-86	-64.4	0	0	0	110.5	H252 L253	F250-H252 VanDerWaalsContact C-N 3.26Å; F250-H252 PolarHBondContact O-N 3.11Å; F250-L253 HydrophobicContact CB-CD1 4.02Å; F250-L253 HydrophobicContact CD1-CD1 3.41Å; F250-L253 VanDerWaalsContact CD1-CD1 3.41Å; F250-L253 HydrophobicContact CD1-CG 4.09Å; F250-L253 HydrophobicContact CE1-CD1 4.12Å; F250-L253 HydrophobicContact CG-CD1 3.86Å
251	S	34.2	Very low	37	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-1.1	-175	48.7	0	0	0	0	115.2
252	H	37.5	Very low	38.1	Very low	162 Å²	162	141.7 Å²	141.7	75%	0.75	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	8.4	176.8	-78.7	-75.7	0	0	0	115	F250 R254	F250-H252 VanDerWaalsContact C-N 3.26Å; F250-H252 PolarHBondContact O-N 3.11Å; H252-R254 PolarHBondContact O-N 3.02Å; H252-R254 VanDerWaalsContact O-N 3.09Å
253	L	35.2	Very low	38.8	Very low	128 Å²	128	135 Å²	135	67%	0.67	66%	0.656	S	S	*	*	S	Bend	trans	-72.6	107.9	169	-78.1	168.6	0	0	0	108.9	F250 R255	F250-L253 HydrophobicContact CB-CD1 4.02Å; F250-L253 HydrophobicContact CD1-CD1 3.41Å; F250-L253 VanDerWaalsContact CD1-CD1 3.41Å; F250-L253 HydrophobicContact CD1-CG 4.09Å; F250-L253 HydrophobicContact CE1-CD1 4.12Å; F250-L253 HydrophobicContact CG-CD1 3.86Å; L253-R255 PolarHBondContact O-N 3Å
254	R	43.9	Very low	39.5	Very low	136 Å²	136	134.5 Å²	134.5	51%	0.513	65%	0.654	S	S	.	*			trans	-34.6	112.8	170.1	-160.2	-178.9	-68.5	-163.1	-5.6	108.5	H252 V256 W290	H252-R254 PolarHBondContact O-N 3.02Å; H252-R254 VanDerWaalsContact O-N 3.09Å; R254-V256 WeakPolarHBondContact O-CG2 3.42Å; R254-V256 PolarHBondContact O-N 3.12Å; R254-W290 PolarHBondContact NH2-O 2.86Å
255	R	40.2	Very low	40.2	Very low	223 Å²	223	128.5 Å²	128.5	84%	0.842	63%	0.634	S	S	*	*			trans	-68.2	87	-179.8	-175.9	179.9	-83.8	157	-5.8	108.3	L253 R257	L253-R255 PolarHBondContact O-N 3Å; R255-R257 PolarHBondContact O-N 3.22Å
256	V	45.1	Very low	41	Very low	64 Å²	64	132.3 Å²	132.3	39%	0.388	65%	0.647	S	S	.	*			trans	-71.7	99.9	-179.4	-148.3	0	0	0	0	107.5	L130 H131 R254 S258	L130-V256 HydrophobicContact CB-CG1 4.34Å; H131-V256 HydrophobicContact CB-CG1 4.37Å; H131-V256 VanDerWaalsContact CD2-CG1 3.41Å; H131-V256 WeakPolarHBondContact CD2-CG1 3.4Å; H131-V256 WeakPolarHBondContact CE1-CG1 3.3Å; H131-V256 PolarHBondContact CE1-O 2.54Å; H131-V256 WeakPolarHBondContact NE2-CB 3.5Å; H131-V256 WeakPolarHBondContact NE2-CG1 3.49Å; H131-V256 PolarHBondContact NE2-O 3.14Å; H131-V256 VanDerWaalsContact NE2-O 3.15Å; R254-V256 WeakPolarHBondContact O-CG2 3.42Å; R254-V256 PolarHBondContact O-N 3.12Å; V256-S258 PolarHBondContact O-N 3.1Å
257	R	47	Very low	41.9	Very low	110 Å²	110	129.4 Å²	129.4	42%	0.415	64%	0.636	S	S	.	*			trans	-69.5	107.3	-173.7	-71.3	-177.6	-179.5	175.4	-1.4	111.4	H131 R255	H131-R257 PolarHBondContact CE1-O 3.3Å; R255-R257 PolarHBondContact O-N 3.22Å
258	S	48.5	Very low	43.1	Very low	51 Å²	51	125.9 Å²	125.9	36%	0.357	63%	0.631	S	S	.	*			trans	-50.3	151.5	178.6	67.9	0	0	0	0	111.2	V256 H260 Q261	V256-S258 PolarHBondContact O-N 3.1Å; S258-H260 PolarHBondContact O-N 2.96Å; S258-Q261 PolarHBondContact O-N 3.3Å
259	H	52.8	Low	44.4	Very low	56 Å²	56	119.5 Å²	119.5	26%	0.259	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-49.9	-25.5	178	-65.3	-65.7	0	0	0	113.3	H149 C154 Q261	H149-H259 AromaticContact ND1-CE1 3.48Å; H149-H259 PolarHBondContact ND1-CE1 3.37Å; H149-H259 AromaticContact ND1-NE2 3.72Å; C154-H259 PolarHBondContact SG-CE1 3.07Å; H259-Q261 VanDerWaalsContact C-N 3.3Å; H259-Q261 PolarHBondContact O-N 2.95Å
260	H	47.6	Very low	45.9	Very low	169 Å²	169	120.5 Å²	120.5	78%	0.782	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-75.9	-11.9	-176.6	-140	-53.4	0	0	0	114.6	S258	S258-H260 PolarHBondContact O-N 2.96Å
261	Q	49.9	Very low	47.8	Very low	124 Å²	124	113.4 Å²	113.4	58%	0.579	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-102.4	2	-176.6	-73	-174.7	-0.7	0	0	114.7	S258 H259 S263	S258-Q261 PolarHBondContact O-N 3.3Å; H259-Q261 VanDerWaalsContact C-N 3.3Å; H259-Q261 PolarHBondContact O-N 2.95Å; Q261-S263 VanDerWaalsContact C-N 3.29Å; Q261-S263 PolarHBondContact O-N 3.4Å
262	F	48.7	Very low	49.5	Very low	64 Å²	64	112.8 Å²	112.8	28%	0.281	57%	0.565	S	S	.	*			trans	-81.7	-3.9	-179.5	-113.5	-85	0	0	0	114.3	F128 I153 Q264	F128-F262 HydrophobicContact CD2-CZ 4.47Å; F128-F262 HydrophobicContact CE1-CD2 4.15Å; F128-F262 HydrophobicContact CE1-CE1 4.43Å; F128-F262 HydrophobicContact CE1-CE2 4.05Å; F128-F262 HydrophobicContact CE1-CG 4.36Å; F128-F262 HydrophobicContact CE1-CZ 4.2Å; F128-F262 HydrophobicContact CE2-CD1 4.25Å; F128-F262 AromaticContact CE2-CE1 3.51Å; F128-F262 HydrophobicContact CE2-CE1 3.51Å; F128-F262 HydrophobicContact CE2-CE2 4.02Å; F128-F262 AromaticContact CE2-CZ 3.36Å; F128-F262 HydrophobicContact CE2-CZ 3.36Å; F128-F262 AromaticContact CZ-CD1 3.55Å; F128-F262 HydrophobicContact CZ-CD1 3.55Å; F128-F262 AromaticContact CZ-CD2 3.8Å; F128-F262 HydrophobicContact CZ-CD2 3.8Å; F128-F262 AromaticContact CZ-CE1 3.27Å; F128-F262 HydrophobicContact CZ-CE1 3.27Å; F128-F262 AromaticContact CZ-CE2 3.52Å; F128-F262 HydrophobicContact CZ-CE2 3.52Å; F128-F262 AromaticContact CZ-CG 3.81Å; F128-F262 HydrophobicContact CZ-CG 3.81Å; F128-F262 AromaticContact CZ-CZ 3.24Å; F128-F262 HydrophobicContact CZ-CZ 3.24Å; I153-F262 HydrophobicContact CD1-CB 3.59Å; I153-F262 HydrophobicContact CG1-CB 4.4Å; F262-Q264 VanDerWaalsContact C-N 3.32Å; F262-Q264 PolarHBondContact O-N 3.02Å
263	S	43.3	Very low	51.5	Low	101 Å²	101	109.1 Å²	109.1	71%	0.706	55%	0.55	S	S	*	.	S	Bend	trans	-68.9	-16.5	-164.5	55.3	0	0	0	0	116.2	Q261	Q261-S263 VanDerWaalsContact C-N 3.29Å; Q261-S263 PolarHBondContact O-N 3.4Å
264	Q	42.9	Very low	54	Low	175 Å²	175	107.5 Å²	107.5	82%	0.818	54%	0.54	S	S	*	.			trans	-158.1	92.8	179.7	-67.6	-178.4	1.7	0	0	111.7	F262	F262-Q264 VanDerWaalsContact C-N 3.32Å; F262-Q264 PolarHBondContact O-N 3.02Å
265	V	43.6	Very low	56.3	Low	76 Å²	76	103.2 Å²	103.2	46%	0.461	52%	0.524	S	S	.	.			trans	-147	84.3	162	-168.1	0	0	0	0	110.3	I267	V265-I267 HydrophobicContact CG1-CB 3.65Å; V265-I267 HydrophobicContact CG1-CD1 4.26Å; V265-I267 HydrophobicContact CG1-CG1 4.01Å; V265-I267 PolarHBondContact O-N 3.46Å
266	D	45.2	Very low	58.7	Low	178 Å²	178	95 Å²	95	95%	0.952	50%	0.496	S	S	*	.			trans	-77.1	13	161.3	-77	-37.8	0	0	0	112.5	T268	D266-T268 PolarHBondContact O-N 3.18Å
267	I	50.3	Low	61	Low	119 Å²	119	92 Å²	92	61%	0.61	48%	0.477	S	S	*	.	S	Bend	trans	-79.9	111.7	170.4	-51.6	171.1	0	0	0	105.9	V265 P269	V265-I267 HydrophobicContact CG1-CB 3.65Å; V265-I267 HydrophobicContact CG1-CD1 4.26Å; V265-I267 HydrophobicContact CG1-CG1 4.01Å; V265-I267 PolarHBondContact O-N 3.46Å; I267-P269 WeakPolarHBondContact O-CA 3.39Å; I267-P269 WeakPolarHBondContact O-CD 3.34Å
268	T	55	Low	63.2	Low	120 Å²	120	89 Å²	89	74%	0.736	47%	0.468	S	S	*	.			trans	-43.7	107.6	165.2	46	0	0	0	0	107.6	D266 Q270	D266-T268 PolarHBondContact O-N 3.18Å; T268-Q270 PolarHBondContact O-N 3.25Å
269	P	57	Low	65.2	Low	50 Å²	50	88.6 Å²	88.6	33%	0.325	46%	0.461	S	S	.	.			trans	-73.9	114.1	-163	2.8	4.2	0	0	0	108.1	I267 A271 R287	I267-P269 WeakPolarHBondContact O-CA 3.39Å; I267-P269 WeakPolarHBondContact O-CD 3.34Å; P269-A271 PolarHBondContact O-N 3.21Å; P269-R287 PolarHBondContact O-NH1 2.87Å; P269-R287 PolarHBondContact O-NH2 3.32Å
270	Q	62.7	Low	67	Low	147 Å²	147	88.3 Å²	88.3	69%	0.687	46%	0.463	S	S	*	.			trans	-55.3	133.7	176.1	-73.6	173.3	-13.9	0	0	108.9	T268	T268-Q270 PolarHBondContact O-N 3.25Å
271	A	72.8	Confident	69	Low	16 Å²	16	81.1 Å²	81.1	13%	0.132	44%	0.435	C	S	.	.			trans	-71.5	136.5	172	0	0	0	0	0	108.9	V211 L212 P269 C285	V211-A271 WeakPolarHBondContact O-CB 3.23Å; V211-A271 PolarHBondContact O-N 3.18Å; L212-A271 HydrophobicContact CD2-CB 4.09Å; P269-A271 PolarHBondContact O-N 3.21Å; A271-C285 HydrophobicContact CB-CB 3.81Å
272	T	70	Confident	71	Confident	99 Å²	99	78.8 Å²	78.8	61%	0.607	42%	0.423	S	S	*	.	S	Bend	trans	-90.8	-27	172.2	54.8	0	0	0	0	111.3	E286	T272-E286 PolarHBondContact OG1-OE1 2.97Å; T272-E286 PolarHBondContact OG1-OE2 2.9Å
273	M	80.4	Confident	73	Confident	86 Å²	86	77.1 Å²	77.1	42%	0.424	42%	0.415	S	S	.	.			trans	-143.6	139.7	-175.2	-63.8	-175.3	-179.5	0	0	110.4
274	M	87	Confident	75.4	Confident	93 Å²	93	72.5 Å²	72.5	46%	0.458	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.7	172.7	170.2	168.5	36.6	0	0	109.6	L212 Y283	L212-M274 HydrophobicContact CB-CB 4.35Å; L212-M274 HydrophobicContact CB-SD 4.35Å; L212-M274 HydrophobicContact CD1-CG 4.02Å; L212-M274 HydrophobicContact CD1-SD 3.82Å; M274-Y283 HydrophobicContact CG-CD1 3.58Å; M274-Y283 HydrophobicContact CG-CE1 4.4Å; M274-Y283 HydrophobicContact CG-CG 4.11Å; M274-Y283 HydrophobicContact SD-CD1 3.28Å; M274-Y283 WeakPolarHBondContact SD-CD1 3.47Å; M274-Y283 HydrophobicContact SD-CD2 4.28Å; M274-Y283 HydrophobicContact SD-CE1 3.8Å; M274-Y283 HydrophobicContact SD-CG 3.57Å; M274-Y283 VanDerWaalsContact SD-CG 3.57Å
275	R	91.3	Very high	77.7	Confident	47 Å²	47	64.2 Å²	64.2	18%	0.177	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.4	179.7	-65.8	179.4	168.4	127.8	6.6	110.5	Y283 Y284 H289 D291	R275-Y283 CarbonylContact O-C 3.5Å; R275-Y283 WeakPolarHBondContact O-CA 3.36Å; R275-Y284 PolarHBondContact N-O 3.09Å; R275-Y284 PolarHBondContact O-N 3.3Å; R275-H289 HydrophobicContact CB-CB 3.89Å; R275-H289 WeakPolarHBondContact CD-ND1 3.41Å; R275-H289 WeakPolarHBondContact CD-O 3.4Å; R275-H289 HydrophobicContact CG-CB 4.5Å; R275-H289 PolarHBondContact NH1-O 2.63Å; R275-D291 WeakPolarHBondContact CD-OD1 3.31Å; R275-D291 IonicContact CZ-OD1 3.67Å; R275-D291 IonicContact CZ-OD2 2.74Å; R275-D291 VanDerWaalsContact NE-CG 3.33Å; R275-D291 IonicContact NE-OD1 3.78Å; R275-D291 PolarHBondContact NE-OD1 3.47Å; R275-D291 IonicContact NE-OD2 3.42Å; R275-D291 PolarHBondContact NE-OD2 2.94Å; R275-D291 IonicContact NH1-OD2 3.04Å; R275-D291 IonicContact NH2-OD1 3.23Å; R275-D291 IonicContact NH2-OD2 2.69Å; R275-D291 PolarHBondContact NH2-OD2 3.03Å
276	I	91.6	Very high	79.9	Confident	50 Å²	50	64 Å²	64	26%	0.256	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.7	179.7	-55.4	173.8	0	0	0	108.8	F193 K282 Y283 H289	F193-I276 HydrophobicContact CD1-CG2 4.48Å; F193-I276 HydrophobicContact CE1-CG2 3.82Å; F193-I276 HydrophobicContact CE2-CG2 4.32Å; F193-I276 HydrophobicContact CZ-CD1 4.35Å; F193-I276 HydrophobicContact CZ-CG2 3.73Å; I276-K282 WeakPolarHBondContact CA-O 3.08Å; I276-Y283 HydrophobicContact CD1-CD1 4.23Å; I276-Y283 HydrophobicContact CD1-CE1 3.62Å; I276-Y283 HydrophobicContact CG1-CD1 3.59Å; I276-Y283 HydrophobicContact CG1-CE1 3.52Å; I276-H289 PolarHBondContact O-NE2 2.74Å
277	C	93.2	Very high	82	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.			trans	-85.6	120.7	169.8	177.2	0	0	0	0	109.4	M279 T280 G281 K282 Y284 C312	C277-M279 PolarHBondContact O-N 2.81Å; C277-T280 WeakPolarHBondContact CB-OG1 3.26Å; C277-T280 PolarHBondContact O-N 3.48Å; C277-G281 WeakPolarHBondContact O-CA 3.49Å; C277-G281 PolarHBondContact O-N 3.31Å; C277-K282 PolarHBondContact N-O 3.14Å; C277-K282 VanDerWaalsContact N-O 3.1Å; C277-Y284 HydrophobicContact CB-CD2 3.86Å; C277-Y284 HydrophobicContact CB-CE2 3.39Å; C277-C312 HydrophobicContact CB-CB 3.97Å; C277-C312 PolarHBondContact SG-N 3.29Å
278	H	92.8	Very high	84.1	Confident	49 Å²	49	53.9 Å²	53.9	23%	0.227	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.5	-177.4	-76	-145.4	0	0	0	113.6	F193 V296 Q309 P310	F193-H278 VanDerWaalsContact CB-O 3.28Å; F193-H278 WeakPolarHBondContact CB-O 3.36Å; H278-V296 HydrophobicContact CB-CG2 4.41Å; H278-Q309 HydrophobicContact CB-CB 3.84Å; H278-Q309 PolarHBondContact CE1-OE1 3.27Å; H278-Q309 PolarHBondContact ND1-OE1 2.71Å; H278-P310 WeakPolarHBondContact CB-O 3.31Å; H278-P310 PolarHBondContact N-O 3.28Å; H278-P310 WeakPolarHBondContact NE2-CG 3.3Å
279	M	91.3	Very high	85.9	Confident	41 Å²	41	48.2 Å²	48.2	20%	0.202	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-40.5	171.9	-175.5	66.7	66.8	0	0	112.6	C277 V296 P297 V311 V315 L319	C277-M279 PolarHBondContact O-N 2.81Å; M279-V296 HydrophobicContact CE-CB 4.23Å; M279-V296 HydrophobicContact CE-CG1 3.91Å; M279-V296 HydrophobicContact CE-CG2 4.17Å; M279-V296 HydrophobicContact SD-CG1 4.11Å; M279-P297 HydrophobicContact CE-CG 4.32Å; M279-V311 HydrophobicContact CB-CG1 4.26Å; M279-V315 HydrophobicContact CB-CG1 3.63Å; M279-V315 HydrophobicContact CB-CG2 4.41Å; M279-V315 HydrophobicContact CE-CG1 4.48Å; M279-V315 HydrophobicContact CG-CG1 3.85Å; M279-V315 HydrophobicContact CG-CG2 4.46Å; M279-L319 HydrophobicContact CE-CD1 3.51Å; M279-L319 HydrophobicContact CE-CD2 3.4Å; M279-L319 HydrophobicContact CE-CG 3.99Å
280	T	90.6	Very high	87.6	Confident	50 Å²	50	46.1 Å²	46.1	31%	0.307	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-16.9	-173.1	63	0	0	0	0	113.1	C277 K282 Y284 V315	C277-T280 WeakPolarHBondContact CB-OG1 3.26Å; C277-T280 PolarHBondContact O-N 3.48Å; T280-K282 WeakPolarHBondContact O-CG 3.01Å; T280-K282 PolarHBondContact O-N 2.89Å; T280-K282 PolarHBondContact OG1-N 2.7Å; T280-Y284 PolarHBondContact OG1-OH 3.1Å; T280-V315 HydrophobicContact CG2-CG2 3.86Å
281	G	89.7	Confident	89	Confident	19 Å²	19	42.8 Å²	42.8	20%	0.196	22%	0.217	C	C	.	.			trans	64.2	16.2	-171.5	0	0	0	0	0	113.9	F193 C277	F193-G281 VanDerWaalsContact CD2-CA 3.43Å; C277-G281 WeakPolarHBondContact O-CA 3.49Å; C277-G281 PolarHBondContact O-N 3.31Å
282	K	91.2	Very high	90	Very high	75 Å²	75	43.4 Å²	43.4	33%	0.326	22%	0.218	S	C	.	.			trans	-102.2	157.5	-175.9	-55.9	-57.3	178.8	-175.2	0	112.7	Q201 F206 I276 C277 T280 Y284	Q201-K282 VanDerWaalsContact OE1-CB 3.28Å; F206-K282 HydrophobicContact CB-CB 3.86Å; F206-K282 HydrophobicContact CB-CG 4.46Å; F206-K282 HydrophobicContact CD1-CB 4.39Å; F206-K282 HydrophobicContact CD1-CG 4.33Å; F206-K282 HydrophobicContact CD2-CB 4.13Å; F206-K282 HydrophobicContact CD2-CD 4.18Å; F206-K282 HydrophobicContact CD2-CG 3.81Å; F206-K282 HydrophobicContact CE2-CD 4.36Å; F206-K282 HydrophobicContact CE2-CG 4.09Å; F206-K282 HydrophobicContact CG-CB 3.86Å; F206-K282 HydrophobicContact CG-CG 3.93Å; F206-K282 HydrophobicContact CZ-CG 4.45Å; I276-K282 WeakPolarHBondContact CA-O 3.08Å; C277-K282 PolarHBondContact N-O 3.14Å; C277-K282 VanDerWaalsContact N-O 3.1Å; T280-K282 WeakPolarHBondContact O-CG 3.01Å; T280-K282 PolarHBondContact O-N 2.89Å; T280-K282 PolarHBondContact OG1-N 2.7Å; K282-Y284 HydrophobicContact CB-CE2 3.73Å; K282-Y284 WeakPolarHBondContact O-CD2 3.35Å; K282-Y284 WeakPolarHBondContact O-CE2 3.37Å
283	Y	90.6	Very high	91.3	Very high	28 Å²	28	42 Å²	42	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.4	174.8	-56.9	-69.4	0	0	0	112.9	P198 Q201 F206 L212 M274 R275 I276	P198-Y283 WeakPolarHBondContact CA-OH 3.43Å; P198-Y283 HydrophobicContact CB-CE2 4.21Å; P198-Y283 WeakPolarHBondContact CB-OH 3.44Å; P198-Y283 VanDerWaalsContact CG-OH 3.24Å; P198-Y283 WeakPolarHBondContact CG-OH 3.15Å; Q201-Y283 HydrophobicContact CB-CD2 4.03Å; Q201-Y283 HydrophobicContact CB-CE2 4.36Å; Q201-Y283 HydrophobicContact CG-CD2 4.28Å; Q201-Y283 PolarHBondContact NE2-O 3.18Å; Q201-Y283 VanDerWaalsContact NE2-O 3.12Å; F206-Y283 WeakPolarHBondContact CB-O 3.16Å; F206-Y283 PolarHBondContact N-O 3.26Å; L212-Y283 HydrophobicContact CD1-CG 4.33Å; M274-Y283 HydrophobicContact CG-CD1 3.58Å; M274-Y283 HydrophobicContact CG-CE1 4.4Å; M274-Y283 HydrophobicContact CG-CG 4.11Å; M274-Y283 HydrophobicContact SD-CD1 3.28Å; M274-Y283 WeakPolarHBondContact SD-CD1 3.47Å; M274-Y283 HydrophobicContact SD-CD2 4.28Å; M274-Y283 HydrophobicContact SD-CE1 3.8Å; M274-Y283 HydrophobicContact SD-CG 3.57Å; M274-Y283 VanDerWaalsContact SD-CG 3.57Å; R275-Y283 CarbonylContact O-C 3.5Å; R275-Y283 WeakPolarHBondContact O-CA 3.36Å; I276-Y283 HydrophobicContact CD1-CD1 4.23Å; I276-Y283 HydrophobicContact CD1-CE1 3.62Å; I276-Y283 HydrophobicContact CG1-CD1 3.59Å; I276-Y283 HydrophobicContact CG1-CE1 3.52Å
284	Y	93.2	Very high	92	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.8	-179.4	-63.2	-98.8	0	0	0	110.5	F206 E207 R275 C277 T280 K282 C288 C312	F206-Y284 HydrophobicContact CB-CD1 4.4Å; F206-Y284 HydrophobicContact CB-CE1 3.96Å; F206-Y284 HydrophobicContact CB-CE2 4.41Å; F206-Y284 HydrophobicContact CD1-CE1 4.05Å; F206-Y284 AromaticContact CD1-CZ 3.85Å; F206-Y284 VanDerWaalsContact CD1-OH 3.31Å; F206-Y284 WeakPolarHBondContact CD1-OH 2.94Å; E207-Y284 HydrophobicContact CB-CD1 3.91Å; E207-Y284 HydrophobicContact CB-CE1 3.9Å; R275-Y284 PolarHBondContact N-O 3.09Å; R275-Y284 PolarHBondContact O-N 3.3Å; C277-Y284 HydrophobicContact CB-CD2 3.86Å; C277-Y284 HydrophobicContact CB-CE2 3.39Å; T280-Y284 PolarHBondContact OG1-OH 3.1Å; K282-Y284 HydrophobicContact CB-CE2 3.73Å; K282-Y284 WeakPolarHBondContact O-CD2 3.35Å; K282-Y284 WeakPolarHBondContact O-CE2 3.37Å; Y284-C288 HydrophobicContact CD1-CB 4.05Å; Y284-C312 HydrophobicContact CD1-CB 3.73Å; Y284-C312 HydrophobicContact CD2-CB 3.96Å; Y284-C312 HydrophobicContact CE1-CB 3.66Å; Y284-C312 HydrophobicContact CE2-CB 3.93Å; Y284-C312 HydrophobicContact CG-CB 3.89Å; Y284-C312 VanDerWaalsContact CZ-SG 3.58Å
285	C	92.4	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	167.2	169.4	75.4	0	0	0	0	111.3	C205 C210 L212 A271 R287 C288 H289	C205-C285 HydrophobicContact CB-CB 4.13Å; C205-C285 PolarHBondContact SG-N 2.99Å; C210-C285 WeakPolarHBondContact SG-CB 3.36Å; L212-C285 HydrophobicContact CD2-CB 3.83Å; A271-C285 HydrophobicContact CB-CB 3.81Å; C285-R287 PolarHBondContact O-N 3.21Å; C285-C288 PolarHBondContact O-N 3.03Å; C285-C288 VanDerWaalsContact O-N 3.07Å; C285-H289 PolarHBondContact O-N 3.18Å
286	E	89.8	Confident	92.4	Very high	72 Å²	72	33.2 Å²	33.2	34%	0.336	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	179.2	61.6	173.5	-171.8	0	0	115.8	T272	T272-E286 PolarHBondContact OG1-OE1 2.97Å; T272-E286 PolarHBondContact OG1-OE2 2.9Å
287	R	89.5	Confident	92.5	Very high	78 Å²	78	30.9 Å²	30.9	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-27.2	177.5	-59.5	-171.9	-61.6	-79	6.8	113.3	P269 C285 W290	P269-R287 PolarHBondContact O-NH1 2.87Å; P269-R287 PolarHBondContact O-NH2 3.32Å; C285-R287 PolarHBondContact O-N 3.21Å; R287-W290 PolarHBondContact O-NE1 3.01Å
288	C	93.2	Very high	92.5	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.041	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-17.2	-178.9	-63.3	0	0	0	0	112.1	E207 Y284 C285 R313	E207-C288 HydrophobicContact CB-CB 3.91Å; E207-C288 HydrophobicContact CG-CB 4.29Å; Y284-C288 HydrophobicContact CD1-CB 4.05Å; C285-C288 PolarHBondContact O-N 3.03Å; C285-C288 VanDerWaalsContact O-N 3.07Å; C288-R313 WeakPolarHBondContact O-CB 3.26Å; C288-R313 PolarHBondContact O-N 3.3Å
289	H	94.3	Very high	92.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.147	C	C	.	.			trans	-126.1	109.2	175.9	-167.6	-59.1	0	0	0	110.3	R275 I276 C285 D291 V311 C312	R275-H289 HydrophobicContact CB-CB 3.89Å; R275-H289 WeakPolarHBondContact CD-ND1 3.41Å; R275-H289 WeakPolarHBondContact CD-O 3.4Å; R275-H289 HydrophobicContact CG-CB 4.5Å; R275-H289 PolarHBondContact NH1-O 2.63Å; I276-H289 PolarHBondContact O-NE2 2.74Å; C285-H289 PolarHBondContact O-N 3.18Å; H289-D291 VanDerWaalsContact C-N 3.34Å; H289-D291 PolarHBondContact ND1-N 2.76Å; H289-D291 IonicContact ND1-OD1 2.73Å; H289-V311 VanDerWaalsContact CD2-C 3.49Å; H289-V311 PolarHBondContact CE1-O 3.03Å; H289-V311 PolarHBondContact NE2-N 2.93Å; H289-V311 PolarHBondContact NE2-O 3.37Å; H289-C312 HydrophobicContact CB-CB 4.46Å; H289-C312 VanDerWaalsContact CD2-CA 3.44Å; H289-C312 WeakPolarHBondContact CD2-CA 3.41Å; H289-C312 PolarHBondContact CD2-N 2.96Å; H289-C312 VanDerWaalsContact CD2-N 3.35Å; H289-C312 PolarHBondContact NE2-N 3.13Å
290	W	92.2	Very high	92.6	Very high	7 Å²	7	27 Å²	27	3%	0.027	14%	0.137	C	C	.	.			trans	-94.1	12.2	-172	-64.8	-3	0	0	0	114.7	P125 L130 R254 R287 D292 R313	P125-W290 HydrophobicContact CG-CZ3 4.13Å; L130-W290 HydrophobicContact CD2-CD2 4.35Å; L130-W290 HydrophobicContact CD2-CH2 3.3Å; L130-W290 HydrophobicContact CD2-CZ2 2.99Å; L130-W290 HydrophobicContact CD2-CZ3 4.1Å; L130-W290 HydrophobicContact CG-CZ2 4.41Å; R254-W290 PolarHBondContact NH2-O 2.86Å; R287-W290 PolarHBondContact O-NE1 3.01Å; W290-D292 PolarHBondContact O-N 3.16Å; W290-R313 HydrophobicContact CD2-CB 4.3Å; W290-R313 HydrophobicContact CD2-CG 3.97Å; W290-R313 VanDerWaalsContact CE3-CD 3.45Å; W290-R313 HydrophobicContact CE3-CG 4.1Å; W290-R313 HydrophobicContact CG-CB 4.38Å; W290-R313 HydrophobicContact CH2-CG 4.34Å; W290-R313 HydrophobicContact CZ2-CG 4.21Å; W290-R313 HydrophobicContact CZ3-CG 4.29Å
291	D	91.7	Very high	92.8	Very high	76 Å²	76	24.9 Å²	24.9	41%	0.406	12%	0.124	S	C	.	.			trans	61.6	27.1	-167.7	-54.8	-47	0	0	0	111.9	R275 H289 T293	R275-D291 WeakPolarHBondContact CD-OD1 3.31Å; R275-D291 IonicContact CZ-OD1 3.67Å; R275-D291 IonicContact CZ-OD2 2.74Å; R275-D291 VanDerWaalsContact NE-CG 3.33Å; R275-D291 IonicContact NE-OD1 3.78Å; R275-D291 PolarHBondContact NE-OD1 3.47Å; R275-D291 IonicContact NE-OD2 3.42Å; R275-D291 PolarHBondContact NE-OD2 2.94Å; R275-D291 IonicContact NH1-OD2 3.04Å; R275-D291 IonicContact NH2-OD1 3.23Å; R275-D291 IonicContact NH2-OD2 2.69Å; R275-D291 PolarHBondContact NH2-OD2 3.03Å; H289-D291 VanDerWaalsContact C-N 3.34Å; H289-D291 PolarHBondContact ND1-N 2.76Å; H289-D291 IonicContact ND1-OD1 2.73Å; D291-T293 PolarHBondContact O-N 3.48Å
292	D	94.8	Very high	92.8	Very high	29 Å²	29	27.8 Å²	27.8	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136.2	167.8	-72.7	-33.7	0	0	0	108.2	W290 P310 V311 R313 Y316	W290-D292 PolarHBondContact O-N 3.16Å; D292-P310 WeakPolarHBondContact O-CA 3.06Å; D292-V311 PolarHBondContact O-N 2.65Å; D292-R313 IonicContact OD1-NH1 2.98Å; D292-R313 WeakPolarHBondContact OD2-CD 3.23Å; D292-R313 IonicContact OD2-CZ 3.88Å; D292-R313 IonicContact OD2-NE 3.23Å; D292-R313 IonicContact OD2-NH1 2.89Å; D292-R313 PolarHBondContact OD2-NH1 2.71Å; D292-Y316 HydrophobicContact CB-CD1 4.49Å; D292-Y316 HydrophobicContact CB-CD2 3.71Å; D292-Y316 HydrophobicContact CB-CE2 4.36Å; D292-Y316 HydrophobicContact CB-CG 3.77Å
293	T	95.6	Very high	92.8	Very high	71 Å²	71	28.3 Å²	28.3	44%	0.436	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137	175.6	57.9	0	0	0	0	109.8	D291 Q309	D291-T293 PolarHBondContact O-N 3.48Å; T293-Q309 CarbonylContact C-O 3.51Å; T293-Q309 VanDerWaalsContact CA-O 3.26Å; T293-Q309 WeakPolarHBondContact CA-O 3.31Å
294	W	95.1	Very high	92.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.1	177	-156.2	-105.8	0	0	0	111.9	P33 K308 Q309 V311 Y316 L319 R320 W323	P33-W294 HydrophobicContact CB-CH2 3.25Å; P33-W294 HydrophobicContact CB-CZ2 3.59Å; P33-W294 HydrophobicContact CB-CZ3 4.2Å; P33-W294 HydrophobicContact CG-CH2 3.08Å; P33-W294 HydrophobicContact CG-CZ2 3.89Å; P33-W294 HydrophobicContact CG-CZ3 3.54Å; W294-K308 CarbonylContact O-C 3.57Å; W294-K308 WeakPolarHBondContact O-CA 3.1Å; W294-Q309 PolarHBondContact N-O 2.83Å; W294-Q309 PolarHBondContact O-N 3.46Å; W294-V311 HydrophobicContact CB-CG2 3.97Å; W294-Y316 HydrophobicContact CB-CD2 4.3Å; W294-Y316 HydrophobicContact CD2-CD2 4.48Å; W294-Y316 HydrophobicContact CD2-CE2 4.33Å; W294-Y316 HydrophobicContact CE3-CD2 4.05Å; W294-Y316 AromaticContact CE3-CE2 3.51Å; W294-Y316 HydrophobicContact CE3-CE2 3.51Å; W294-Y316 AromaticContact CZ3-CE2 3.81Å; W294-Y316 HydrophobicContact CZ3-CE2 3.81Å; W294-L319 HydrophobicContact CB-CD1 4.02Å; W294-L319 HydrophobicContact CG-CB 4.21Å; W294-L319 HydrophobicContact CG-CD1 4.09Å; W294-R320 HydrophobicContact CH2-CG 3.98Å; W294-R320 HydrophobicContact CZ2-CG 4.17Å; W294-R320 HydrophobicContact CZ3-CG 4.27Å; W294-W323 HydrophobicContact CZ2-CG 4.4Å; W294-W323 AromaticContact NE1-CD2 3.66Å; W294-W323 AromaticContact NE1-CE3 3.36Å; W294-W323 AromaticContact NE1-CZ3 3.86Å
295	Y	94.4	Very high	92.7	Very high	36 Å²	36	33.1 Å²	33.1	14%	0.141	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.3	170.7	-60.6	-78.2	0	0	0	110.6	K306 K308 W323 L392	Y295-K306 WeakPolarHBondContact CD1-O 3.46Å; Y295-K306 WeakPolarHBondContact CE1-O 3.44Å; Y295-K308 HydrophobicContact CD1-CG 4.19Å; Y295-K308 HydrophobicContact CD2-CG 4.29Å; Y295-K308 HydrophobicContact CE1-CG 4.13Å; Y295-K308 HydrophobicContact CE2-CD 4.44Å; Y295-K308 VanDerWaalsContact CE2-CE 3.41Å; Y295-K308 HydrophobicContact CE2-CG 4.24Å; Y295-K308 HydrophobicContact CG-CG 4.26Å; Y295-W323 HydrophobicContact CD2-CH2 4.26Å; Y295-W323 AromaticContact CD2-CZ2 3.78Å; Y295-W323 HydrophobicContact CD2-CZ2 3.78Å; Y295-W323 AromaticContact CG-CH2 3.93Å; Y295-W323 HydrophobicContact CG-CH2 3.93Å; Y295-W323 AromaticContact CG-CZ2 3.78Å; Y295-W323 HydrophobicContact CG-CZ2 3.78Å; Y295-L392 HydrophobicContact CD1-CD1 4.28Å; Y295-L392 HydrophobicContact CD1-CD2 4.16Å; Y295-L392 HydrophobicContact CD2-CD1 3.94Å; Y295-L392 HydrophobicContact CE1-CD1 3.99Å; Y295-L392 HydrophobicContact CE1-CD2 4.12Å; Y295-L392 HydrophobicContact CE2-CD1 3.65Å; Y295-L392 HydrophobicContact CG-CD1 4.26Å
296	V	94.1	Very high	92.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.182	C	C	.	.			trans	-103.8	116.9	177.1	173	0	0	0	0	108.3	H278 M279 G298 S299 I300 Q309 V311	H278-V296 HydrophobicContact CB-CG2 4.41Å; M279-V296 HydrophobicContact CE-CB 4.23Å; M279-V296 HydrophobicContact CE-CG1 3.91Å; M279-V296 HydrophobicContact CE-CG2 4.17Å; M279-V296 HydrophobicContact SD-CG1 4.11Å; V296-G298 VanDerWaalsContact C-N 3.33Å; V296-G298 PolarHBondContact O-N 3.46Å; V296-S299 WeakPolarHBondContact O-CB 3.23Å; V296-S299 PolarHBondContact O-N 2.95Å; V296-I300 PolarHBondContact O-N 3.49Å; V296-I300 VanDerWaalsContact O-N 3.13Å; V296-Q309 HydrophobicContact CG2-CB 3.85Å; V296-Q309 HydrophobicContact CG2-CG 4.33Å; V296-V311 HydrophobicContact CG2-CG1 4.18Å
297	P	94	Very high	92.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-54.9	-45	-176.6	-27.1	36.4	0	0	0	113.2	I187 L189 M279 S299 I300 F301 W323 M388	I187-P297 HydrophobicContact CG2-CG 4.35Å; L189-P297 HydrophobicContact CD2-CB 3.49Å; L189-P297 VanDerWaalsContact CD2-CB 3.49Å; L189-P297 HydrophobicContact CD2-CG 4.45Å; M279-P297 HydrophobicContact CE-CG 4.32Å; P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 2.81Å; P297-I300 WeakPolarHBondContact O-CB 3.29Å; P297-I300 PolarHBondContact O-N 3.39Å; P297-I300 VanDerWaalsContact O-N 3.08Å; P297-F301 HydrophobicContact CB-CD2 4.37Å; P297-F301 HydrophobicContact CB-CE2 4.34Å; P297-F301 WeakPolarHBondContact O-CD2 3.23Å; P297-F301 PolarHBondContact O-N 3.3Å; P297-W323 HydrophobicContact CG-CZ3 4.17Å; P297-M388 HydrophobicContact CB-CE 3.7Å; P297-M388 HydrophobicContact CB-SD 4.1Å; P297-M388 HydrophobicContact CG-CE 3.95Å; P297-M388 HydrophobicContact CG-SD 4.28Å
298	G	91.9	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.6	-45.5	175.8	0	0	0	0	0	112.5	L189 V192 V296 I300 F301 L302	L189-G298 WeakPolarHBondContact O-CA 3.43Å; V192-G298 WeakPolarHBondContact CG2-O 3.14Å; V296-G298 VanDerWaalsContact C-N 3.33Å; V296-G298 PolarHBondContact O-N 3.46Å; G298-I300 VanDerWaalsContact C-N 3.27Å; G298-I300 PolarHBondContact O-N 2.88Å; G298-F301 PolarHBondContact O-N 2.86Å; G298-L302 WeakPolarHBondContact O-CB 3.48Å; G298-L302 PolarHBondContact O-N 3.15Å
299	S	93.1	Very high	93.2	Very high	8 Å²	8	36.7 Å²	36.7	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-36.4	178.4	-57.6	0	0	0	0	111.9	V296 P297 L303 N304 D305	V296-S299 WeakPolarHBondContact O-CB 3.23Å; V296-S299 PolarHBondContact O-N 2.95Å; P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 2.81Å; S299-L303 CarbonylContact O-C 3.58Å; S299-L303 WeakPolarHBondContact O-CA 3.44Å; S299-L303 VanDerWaalsContact O-CB 3.27Å; S299-L303 WeakPolarHBondContact O-CB 3.24Å; S299-L303 PolarHBondContact O-N 3.14Å; S299-N304 PolarHBondContact O-N 2.83Å; S299-D305 CarbonylContact C-O 3.11Å; S299-D305 PolarHBondContact O-N 3.2Å
300	I	93.9	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-48	176.2	-66.5	169	0	0	0	111	V296 P297 G298 N304 D305 W323 M388 V391 L392 L395	V296-I300 PolarHBondContact O-N 3.49Å; V296-I300 VanDerWaalsContact O-N 3.13Å; P297-I300 WeakPolarHBondContact O-CB 3.29Å; P297-I300 PolarHBondContact O-N 3.39Å; P297-I300 VanDerWaalsContact O-N 3.08Å; G298-I300 VanDerWaalsContact C-N 3.27Å; G298-I300 PolarHBondContact O-N 2.88Å; I300-N304 VanDerWaalsContact O-CA 3.23Å; I300-N304 WeakPolarHBondContact O-CA 3.38Å; I300-N304 PolarHBondContact O-N 3.31Å; I300-D305 WeakPolarHBondContact CA-O 2.89Å; I300-D305 VanDerWaalsContact CG1-O 3.3Å; I300-D305 WeakPolarHBondContact CG1-O 3.23Å; I300-D305 PolarHBondContact N-O 3.23Å; I300-W323 HydrophobicContact CD1-CH2 3.79Å; I300-W323 HydrophobicContact CD1-CZ2 4.29Å; I300-M388 HydrophobicContact CD1-CE 4.02Å; I300-V391 HydrophobicContact CG2-CG1 3.8Å; I300-L392 HydrophobicContact CD1-CD2 4.05Å; I300-L395 HydrophobicContact CG2-CD1 3.52Å
301	F	93.3	Very high	93.4	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-78.5	-38.3	-173.4	-70.9	-65	0	0	0	113.5	L189 P297 G298 V330 P331 W334 M388 V391	L189-F301 HydrophobicContact CB-CD2 3.99Å; L189-F301 HydrophobicContact CB-CE2 4.41Å; L189-F301 HydrophobicContact CD1-CD2 4.2Å; L189-F301 HydrophobicContact CD1-CE2 3.81Å; L189-F301 HydrophobicContact CD1-CZ 4.37Å; L189-F301 HydrophobicContact CD2-CD2 4Å; L189-F301 HydrophobicContact CD2-CE2 3.77Å; L189-F301 HydrophobicContact CG-CD2 4.29Å; L189-F301 HydrophobicContact CG-CE2 4.22Å; P297-F301 HydrophobicContact CB-CD2 4.37Å; P297-F301 HydrophobicContact CB-CE2 4.34Å; P297-F301 WeakPolarHBondContact O-CD2 3.23Å; P297-F301 PolarHBondContact O-N 3.3Å; G298-F301 PolarHBondContact O-N 2.86Å; F301-V330 HydrophobicContact CE1-CB 3.86Å; F301-V330 HydrophobicContact CE1-CG1 3.73Å; F301-V330 HydrophobicContact CZ-CB 4.24Å; F301-V330 HydrophobicContact CZ-CG1 3.74Å; F301-P331 HydrophobicContact CB-CG 4.26Å; F301-P331 HydrophobicContact CD1-CG 4.32Å; F301-P331 HydrophobicContact CG-CG 4.24Å; F301-W334 HydrophobicContact CD1-CB 4.15Å; F301-W334 AromaticContact CD1-CD1 3.62Å; F301-W334 AromaticContact CD1-CD2 3.87Å; F301-W334 HydrophobicContact CD1-CD2 3.87Å; F301-W334 AromaticContact CD1-CG 3.6Å; F301-W334 HydrophobicContact CD1-CG 3.6Å; F301-W334 AromaticContact CD1-NE1 3.85Å; F301-W334 AromaticContact CE1-CD2 3.73Å; F301-W334 HydrophobicContact CE1-CD2 3.73Å; F301-W334 AromaticContact CE1-CE2 3.88Å; F301-W334 HydrophobicContact CE1-CE3 4.09Å; F301-W334 AromaticContact CE1-CG 3.98Å; F301-W334 HydrophobicContact CE1-CG 3.98Å; F301-W334 HydrophobicContact CE1-CZ2 4.38Å; F301-M388 HydrophobicContact CE2-CE 3.84Å; F301-M388 HydrophobicContact CE2-SD 3.84Å; F301-M388 HydrophobicContact CZ-CE 4.3Å; F301-M388 HydrophobicContact CZ-SD 4.19Å; F301-V391 HydrophobicContact CE1-CG1 4.26Å; F301-V391 HydrophobicContact CE1-CG2 4.31Å; F301-V391 HydrophobicContact CZ-CG1 4.19Å; F301-V391 HydrophobicContact CZ-CG2 3.85Å
302	L	90.8	Very high	93.6	Very high	79 Å²	79	34.5 Å²	34.5	41%	0.414	18%	0.182	S	C	.	.	H	α-helix	trans	-93.1	-34	-176.8	-73.9	170.3	0	0	0	113.8	E190 V192 G298 Y333	E190-L302 VanDerWaalsContact C-CD1 3.43Å; E190-L302 HydrophobicContact CB-CD1 4.49Å; E190-L302 WeakPolarHBondContact O-CD1 3.29Å; V192-L302 HydrophobicContact CB-CD1 4.34Å; V192-L302 HydrophobicContact CG2-CB 3.98Å; V192-L302 HydrophobicContact CG2-CD1 3.63Å; V192-L302 HydrophobicContact CG2-CG 4.35Å; G298-L302 WeakPolarHBondContact O-CB 3.48Å; G298-L302 PolarHBondContact O-N 3.15Å; L302-Y333 WeakPolarHBondContact CD2-OH 3.23Å
303	L	90.7	Very high	93.6	Very high	87 Å²	87	34 Å²	34	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-107.9	-3.7	-176.6	-50.2	-177.8	0	0	0	113.3	V192 L194 S299 D305	V192-L303 HydrophobicContact CG1-CD1 3.77Å; V192-L303 HydrophobicContact CG1-CG 4.23Å; L194-L303 HydrophobicContact CD2-CD1 3.71Å; L194-L303 HydrophobicContact CD2-CD2 4.01Å; L194-L303 HydrophobicContact CD2-CG 4.42Å; S299-L303 CarbonylContact O-C 3.58Å; S299-L303 WeakPolarHBondContact O-CA 3.44Å; S299-L303 VanDerWaalsContact O-CB 3.27Å; S299-L303 WeakPolarHBondContact O-CB 3.24Å; S299-L303 PolarHBondContact O-N 3.14Å; L303-D305 HydrophobicContact CB-CB 4.13Å; L303-D305 PolarHBondContact O-N 2.84Å; L303-D305 VanDerWaalsContact O-N 3.11Å
304	N	90.5	Very high	93.6	Very high	80 Å²	80	32.6 Å²	32.6	43%	0.428	17%	0.171	S	C	.	.			trans	53.1	27.2	-169.8	-163.2	31.7	0	0	0	112.4	S299 I300 N338	S299-N304 PolarHBondContact O-N 2.83Å; I300-N304 VanDerWaalsContact O-CA 3.23Å; I300-N304 WeakPolarHBondContact O-CA 3.38Å; I300-N304 PolarHBondContact O-N 3.31Å; N304-N338 PolarHBondContact ND2-ND2 3.03Å; N304-N338 PolarHBondContact OD1-ND2 2.99Å
305	D	91.9	Very high	93.6	Very high	53 Å²	53	33.3 Å²	33.3	28%	0.283	18%	0.175	S	C	.	.			trans	-97.6	114	-178.3	-178.2	13.2	0	0	0	110.5	S299 I300 L303 S307 Q309	S299-D305 CarbonylContact C-O 3.11Å; S299-D305 PolarHBondContact O-N 3.2Å; I300-D305 WeakPolarHBondContact CA-O 2.89Å; I300-D305 VanDerWaalsContact CG1-O 3.3Å; I300-D305 WeakPolarHBondContact CG1-O 3.23Å; I300-D305 PolarHBondContact N-O 3.23Å; L303-D305 HydrophobicContact CB-CB 4.13Å; L303-D305 PolarHBondContact O-N 2.84Å; L303-D305 VanDerWaalsContact O-N 3.11Å; D305-S307 WeakPolarHBondContact OD1-CB 3.24Å; D305-S307 PolarHBondContact OD1-N 3.44Å; D305-S307 PolarHBondContact OD1-OG 2.77Å; D305-S307 PolarHBondContact OD2-OG 2.69Å; D305-Q309 PolarHBondContact OD2-NE2 2.89Å
306	K	92.3	Very high	93.7	Very high	69 Å²	69	33.8 Å²	33.8	30%	0.3	18%	0.177	S	C	.	.			trans	-94.3	8.3	177.8	-59.1	-178.3	-72.4	-177.6	0	112.6	Y295 L392 L395 N396	Y295-K306 WeakPolarHBondContact CD1-O 3.46Å; Y295-K306 WeakPolarHBondContact CE1-O 3.44Å; K306-L392 HydrophobicContact CD-CD2 4.36Å; K306-L392 HydrophobicContact CG-CD2 4.37Å; K306-L395 HydrophobicContact CD-CB 3.67Å; K306-L395 HydrophobicContact CD-CD1 3.83Å; K306-L395 HydrophobicContact CD-CG 4.38Å; K306-L395 HydrophobicContact CG-CD1 4.04Å; K306-L395 PolarHBondContact NZ-O 3.01Å; K306-N396 PolarHBondContact NZ-OD1 3.24Å
307	S	93.8	Very high	93.7	Very high	47 Å²	47	34 Å²	34	33%	0.329	18%	0.178	S	C	.	.			trans	-70.4	145.7	177.9	71.5	0	0	0	0	111	D305 Q309	D305-S307 WeakPolarHBondContact OD1-CB 3.24Å; D305-S307 PolarHBondContact OD1-N 3.44Å; D305-S307 PolarHBondContact OD1-OG 2.77Å; D305-S307 PolarHBondContact OD2-OG 2.69Å; S307-Q309 PolarHBondContact OG-NE2 2.98Å
308	K	95.2	Very high	93.7	Very high	76 Å²	76	36.4 Å²	36.4	33%	0.33	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.5	172	-66.6	178.5	-178.1	170.4	0	108.3	D34 W294 Y295	D34-K308 IonicContact OD1-NZ 3.62Å; D34-K308 IonicContact OD2-NZ 3.85Å; D34-K308 PolarHBondContact OD2-NZ 3.17Å; W294-K308 CarbonylContact O-C 3.57Å; W294-K308 WeakPolarHBondContact O-CA 3.1Å; Y295-K308 HydrophobicContact CD1-CG 4.19Å; Y295-K308 HydrophobicContact CD2-CG 4.29Å; Y295-K308 HydrophobicContact CE1-CG 4.13Å; Y295-K308 HydrophobicContact CE2-CD 4.44Å; Y295-K308 VanDerWaalsContact CE2-CE 3.41Å; Y295-K308 HydrophobicContact CE2-CG 4.24Å; Y295-K308 HydrophobicContact CG-CG 4.26Å
309	Q	94.4	Very high	93.7	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.2	-178.4	-63.7	-67.2	-20.6	0	0	110.3	H278 T293 W294 V296 D305 S307 V311	H278-Q309 HydrophobicContact CB-CB 3.84Å; H278-Q309 PolarHBondContact CE1-OE1 3.27Å; H278-Q309 PolarHBondContact ND1-OE1 2.71Å; T293-Q309 CarbonylContact C-O 3.51Å; T293-Q309 VanDerWaalsContact CA-O 3.26Å; T293-Q309 WeakPolarHBondContact CA-O 3.31Å; W294-Q309 PolarHBondContact N-O 2.83Å; W294-Q309 PolarHBondContact O-N 3.46Å; V296-Q309 HydrophobicContact CG2-CB 3.85Å; V296-Q309 HydrophobicContact CG2-CG 4.33Å; D305-Q309 PolarHBondContact OD2-NE2 2.89Å; S307-Q309 PolarHBondContact OG-NE2 2.98Å; Q309-V311 PolarHBondContact O-N 3.27Å
310	P	94.8	Very high	93.6	Very high	38 Å²	38	37 Å²	37	25%	0.247	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.3	178.5	27.1	-32.6	0	0	0	111.1	H278 D292	H278-P310 WeakPolarHBondContact CB-O 3.31Å; H278-P310 PolarHBondContact N-O 3.28Å; H278-P310 WeakPolarHBondContact NE2-CG 3.3Å; D292-P310 WeakPolarHBondContact O-CA 3.06Å
311	V	95.5	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.2	-179.2	-68.3	0	0	0	0	111	M279 H289 D292 W294 V296 Q309 V315 Y316 L319	M279-V311 HydrophobicContact CB-CG1 4.26Å; H289-V311 VanDerWaalsContact CD2-C 3.49Å; H289-V311 PolarHBondContact CE1-O 3.03Å; H289-V311 PolarHBondContact NE2-N 2.93Å; H289-V311 PolarHBondContact NE2-O 3.37Å; D292-V311 PolarHBondContact O-N 2.65Å; W294-V311 HydrophobicContact CB-CG2 3.97Å; V296-V311 HydrophobicContact CG2-CG1 4.18Å; Q309-V311 PolarHBondContact O-N 3.27Å; V311-V315 HydrophobicContact CB-CB 4.35Å; V311-V315 HydrophobicContact CB-CG1 3.88Å; V311-V315 HydrophobicContact CG1-CG1 4.05Å; V311-V315 HydrophobicContact CG2-CG1 4.46Å; V311-Y316 HydrophobicContact CG2-CD2 4.49Å; V311-L319 HydrophobicContact CG1-CD1 4.41Å
312	C	95	Very high	93.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	19%	0.189	C	C	.	.			trans	-65.1	157.1	174.1	69.1	0	0	0	0	110.7	C277 Y284 H289 S314 V315 Y316	C277-C312 HydrophobicContact CB-CB 3.97Å; C277-C312 PolarHBondContact SG-N 3.29Å; Y284-C312 HydrophobicContact CD1-CB 3.73Å; Y284-C312 HydrophobicContact CD2-CB 3.96Å; Y284-C312 HydrophobicContact CE1-CB 3.66Å; Y284-C312 HydrophobicContact CE2-CB 3.93Å; Y284-C312 HydrophobicContact CG-CB 3.89Å; Y284-C312 VanDerWaalsContact CZ-SG 3.58Å; H289-C312 HydrophobicContact CB-CB 4.46Å; H289-C312 VanDerWaalsContact CD2-CA 3.44Å; H289-C312 WeakPolarHBondContact CD2-CA 3.41Å; H289-C312 PolarHBondContact CD2-N 2.96Å; H289-C312 VanDerWaalsContact CD2-N 3.35Å; H289-C312 PolarHBondContact NE2-N 3.13Å; C312-S314 VanDerWaalsContact C-N 3.3Å; C312-S314 PolarHBondContact O-N 3.17Å; C312-V315 PolarHBondContact O-N 2.78Å; C312-V315 VanDerWaalsContact O-N 3.12Å; C312-V315 WeakPolarHBondContact SG-CG2 3.4Å; C312-Y316 PolarHBondContact O-N 3.02Å
313	R	96.1	Very high	93.2	Very high	17 Å²	17	33.3 Å²	33.3	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-42.1	-172.8	-179.8	56.9	179	-177.8	0.3	112.3	E127 R160 C288 W290 D292 V315 Y316 I317	E127-R313 WeakPolarHBondContact OE1-CG 3.25Å; E127-R313 IonicContact OE1-CZ 3.1Å; E127-R313 IonicContact OE1-NE 2.94Å; E127-R313 PolarHBondContact OE1-NE 3.09Å; E127-R313 IonicContact OE1-NH2 2.68Å; E127-R313 IonicContact OE2-CZ 3.85Å; E127-R313 IonicContact OE2-NE 3.82Å; E127-R313 PolarHBondContact OE2-NE 3.15Å; E127-R313 IonicContact OE2-NH2 2.69Å; E127-R313 PolarHBondContact OE2-NH2 3.4Å; R160-R313 VanDerWaalsContact NE-CG 3.28Å; C288-R313 WeakPolarHBondContact O-CB 3.26Å; C288-R313 PolarHBondContact O-N 3.3Å; W290-R313 HydrophobicContact CD2-CB 4.3Å; W290-R313 HydrophobicContact CD2-CG 3.97Å; W290-R313 VanDerWaalsContact CE3-CD 3.45Å; W290-R313 HydrophobicContact CE3-CG 4.1Å; W290-R313 HydrophobicContact CG-CB 4.38Å; W290-R313 HydrophobicContact CH2-CG 4.34Å; W290-R313 HydrophobicContact CZ2-CG 4.21Å; W290-R313 HydrophobicContact CZ3-CG 4.29Å; D292-R313 IonicContact OD1-NH1 2.98Å; D292-R313 WeakPolarHBondContact OD2-CD 3.23Å; D292-R313 IonicContact OD2-CZ 3.88Å; D292-R313 IonicContact OD2-NE 3.23Å; D292-R313 IonicContact OD2-NH1 2.89Å; D292-R313 PolarHBondContact OD2-NH1 2.71Å; R313-V315 PolarHBondContact O-N 3.08Å; R313-Y316 VanDerWaalsContact NH1-CD1 3.33Å; R313-Y316 WeakPolarHBondContact O-CB 3.4Å; R313-Y316 PolarHBondContact O-N 3.2Å; R313-I317 HydrophobicContact CG-CD1 4.1Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 2.83Å
314	S	95.8	Very high	92.9	Very high	43 Å²	43	29.5 Å²	29.5	30%	0.301	15%	0.151	S	C	.	.	H	α-helix	trans	-61.6	-43.3	178.4	-59.4	0	0	0	0	112.1	R160 E207 C312 I317 K318	R160-S314 WeakPolarHBondContact CD-OG 3.19Å; E207-S314 PolarHBondContact OE1-OG 2.79Å; E207-S314 PolarHBondContact OE2-OG 3.08Å; C312-S314 VanDerWaalsContact C-N 3.3Å; C312-S314 PolarHBondContact O-N 3.17Å; S314-I317 PolarHBondContact O-N 2.71Å; S314-K318 PolarHBondContact O-N 2.72Å
315	V	95.2	Very high	92.7	Very high	18 Å²	18	25.7 Å²	25.7	11%	0.109	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-45.7	174.5	165.3	0	0	0	0	110.7	M279 T280 V311 C312 R313 I317 K318 L319	M279-V315 HydrophobicContact CB-CG1 3.63Å; M279-V315 HydrophobicContact CB-CG2 4.41Å; M279-V315 HydrophobicContact CE-CG1 4.48Å; M279-V315 HydrophobicContact CG-CG1 3.85Å; M279-V315 HydrophobicContact CG-CG2 4.46Å; T280-V315 HydrophobicContact CG2-CG2 3.86Å; V311-V315 HydrophobicContact CB-CB 4.35Å; V311-V315 HydrophobicContact CB-CG1 3.88Å; V311-V315 HydrophobicContact CG1-CG1 4.05Å; V311-V315 HydrophobicContact CG2-CG1 4.46Å; C312-V315 PolarHBondContact O-N 2.78Å; C312-V315 VanDerWaalsContact O-N 3.12Å; C312-V315 WeakPolarHBondContact SG-CG2 3.4Å; R313-V315 PolarHBondContact O-N 3.08Å; V315-I317 VanDerWaalsContact C-N 3.29Å; V315-I317 PolarHBondContact O-N 2.95Å; V315-K318 PolarHBondContact O-N 3.46Å; V315-K318 VanDerWaalsContact O-N 3.1Å; V315-L319 HydrophobicContact CG1-CD1 3.57Å; V315-L319 HydrophobicContact CG1-CG 3.77Å; V315-L319 WeakPolarHBondContact O-CB 3.44Å; V315-L319 VanDerWaalsContact O-CG 3.27Å; V315-L319 WeakPolarHBondContact O-CG 3.34Å; V315-L319 PolarHBondContact O-N 2.76Å
316	Y	95.2	Very high	92.5	Very high	47 Å²	47	23.3 Å²	23.3	18%	0.184	12%	0.117	C	C	.	.	H	α-helix	trans	-52.2	-48.3	177.1	173.4	-95.9	0	0	0	111.9	D292 W294 V311 C312 R313 L319 R320	D292-Y316 HydrophobicContact CB-CD1 4.49Å; D292-Y316 HydrophobicContact CB-CD2 3.71Å; D292-Y316 HydrophobicContact CB-CE2 4.36Å; D292-Y316 HydrophobicContact CB-CG 3.77Å; W294-Y316 HydrophobicContact CB-CD2 4.3Å; W294-Y316 HydrophobicContact CD2-CD2 4.48Å; W294-Y316 HydrophobicContact CD2-CE2 4.33Å; W294-Y316 HydrophobicContact CE3-CD2 4.05Å; W294-Y316 AromaticContact CE3-CE2 3.51Å; W294-Y316 HydrophobicContact CE3-CE2 3.51Å; W294-Y316 AromaticContact CZ3-CE2 3.81Å; W294-Y316 HydrophobicContact CZ3-CE2 3.81Å; V311-Y316 HydrophobicContact CG2-CD2 4.49Å; C312-Y316 PolarHBondContact O-N 3.02Å; R313-Y316 VanDerWaalsContact NH1-CD1 3.33Å; R313-Y316 WeakPolarHBondContact O-CB 3.4Å; R313-Y316 PolarHBondContact O-N 3.2Å; Y316-L319 PolarHBondContact O-N 3.06Å; Y316-R320 HydrophobicContact CD1-CG 4.25Å; Y316-R320 HydrophobicContact CD2-CG 4.47Å; Y316-R320 HydrophobicContact CE1-CG 3.89Å; Y316-R320 HydrophobicContact CE2-CG 4.14Å; Y316-R320 WeakPolarHBondContact O-CB 3.41Å; Y316-R320 WeakPolarHBondContact O-CG 3.49Å; Y316-R320 PolarHBondContact O-N 2.69Å
317	I	93.8	Very high	92.5	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-46.7	177.6	-65.1	163.9	0	0	0	110.8	C144 P145 V146 P163 R313 S314 V315 R320 I321	C144-I317 HydrophobicContact CB-CG2 4.31Å; P145-I317 HydrophobicContact CG-CG2 4.07Å; V146-I317 HydrophobicContact CG2-CD1 3.68Å; V146-I317 HydrophobicContact CG2-CG1 4.33Å; V146-I317 HydrophobicContact CG2-CG2 4.32Å; P163-I317 HydrophobicContact CG-CG2 3.75Å; R313-I317 HydrophobicContact CG-CD1 4.1Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 2.83Å; S314-I317 PolarHBondContact O-N 2.71Å; V315-I317 VanDerWaalsContact C-N 3.29Å; V315-I317 PolarHBondContact O-N 2.95Å; I317-R320 WeakPolarHBondContact O-CB 3.34Å; I317-R320 PolarHBondContact O-N 3.12Å; I317-I321 WeakPolarHBondContact O-CG1 3.37Å; I317-I321 PolarHBondContact O-N 3.23Å
318	K	93.8	Very high	92.3	Very high	52 Å²	52	18 Å²	18	23%	0.226	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-48.6	178.5	-176	166.6	-178.6	150.5	0	111.5	P163 E166 L167 S314 V315 R320 I321 I322	P163-K318 HydrophobicContact CB-CB 4.34Å; P163-K318 HydrophobicContact CB-CG 4.49Å; P163-K318 HydrophobicContact CG-CB 4.37Å; E166-K318 IonicContact OE1-NZ 3.52Å; E166-K318 PolarHBondContact OE1-NZ 3.37Å; L167-K318 HydrophobicContact CD1-CG 4.45Å; S314-K318 PolarHBondContact O-N 2.72Å; V315-K318 PolarHBondContact O-N 3.46Å; V315-K318 VanDerWaalsContact O-N 3.1Å; K318-R320 VanDerWaalsContact C-N 3.27Å; K318-R320 PolarHBondContact O-N 3Å; K318-I321 PolarHBondContact O-N 2.75Å; K318-I322 WeakPolarHBondContact O-CG1 3.44Å; K318-I322 PolarHBondContact O-N 3.03Å; K318-I322 VanDerWaalsContact O-N 3.13Å
319	L	92.9	Very high	92.2	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-37.9	177.3	-65.7	-179.6	0	0	0	112	M279 W294 V311 V315 Y316 I321 I322 W323	M279-L319 HydrophobicContact CE-CD1 3.51Å; M279-L319 HydrophobicContact CE-CD2 3.4Å; M279-L319 HydrophobicContact CE-CG 3.99Å; W294-L319 HydrophobicContact CB-CD1 4.02Å; W294-L319 HydrophobicContact CG-CB 4.21Å; W294-L319 HydrophobicContact CG-CD1 4.09Å; V311-L319 HydrophobicContact CG1-CD1 4.41Å; V315-L319 HydrophobicContact CG1-CD1 3.57Å; V315-L319 HydrophobicContact CG1-CG 3.77Å; V315-L319 WeakPolarHBondContact O-CB 3.44Å; V315-L319 VanDerWaalsContact O-CG 3.27Å; V315-L319 WeakPolarHBondContact O-CG 3.34Å; V315-L319 PolarHBondContact O-N 2.76Å; Y316-L319 PolarHBondContact O-N 3.06Å; L319-I321 VanDerWaalsContact C-N 3.31Å; L319-I321 PolarHBondContact O-N 2.64Å; L319-I322 HydrophobicContact CB-CD1 4.48Å; L319-I322 HydrophobicContact CD2-CD1 3.54Å; L319-I322 WeakPolarHBondContact O-CG1 3.28Å; L319-W323 WeakPolarHBondContact O-CB 3.34Å; L319-W323 PolarHBondContact O-N 2.88Å; L319-W323 VanDerWaalsContact O-N 3.17Å
320	R	90.7	Very high	92	Very high	16 Å²	16	17.4 Å²	17.4	6%	0.06	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-40	177.3	-80.9	-96.8	46.9	-173.5	-1.1	112.8	H31 P33 P145 W172 W294 Y316 I317 K318	H31-R320 PolarHBondContact O-NH1 3.19Å; P33-R320 VanDerWaalsContact N-NH1 3.14Å; P145-R320 HydrophobicContact CG-CB 4.05Å; W172-R320 WeakPolarHBondContact CZ2-O 3.48Å; W294-R320 HydrophobicContact CH2-CG 3.98Å; W294-R320 HydrophobicContact CZ2-CG 4.17Å; W294-R320 HydrophobicContact CZ3-CG 4.27Å; Y316-R320 HydrophobicContact CD1-CG 4.25Å; Y316-R320 HydrophobicContact CD2-CG 4.47Å; Y316-R320 HydrophobicContact CE1-CG 3.89Å; Y316-R320 HydrophobicContact CE2-CG 4.14Å; Y316-R320 WeakPolarHBondContact O-CB 3.41Å; Y316-R320 WeakPolarHBondContact O-CG 3.49Å; Y316-R320 PolarHBondContact O-N 2.69Å; I317-R320 WeakPolarHBondContact O-CB 3.34Å; I317-R320 PolarHBondContact O-N 3.12Å; K318-R320 VanDerWaalsContact C-N 3.27Å; K318-R320 PolarHBondContact O-N 3Å
321	I	90.1	Very high	91.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.3	-57.8	179.1	-62.8	171.6	0	0	0	109.9	C144 P163 A164 L167 I169 W172 I317 K318 L319 W323 S325	C144-I321 HydrophobicContact CB-CD1 3.51Å; C144-I321 HydrophobicContact CB-CG1 4.16Å; P163-I321 HydrophobicContact CG-CD1 3.76Å; A164-I321 HydrophobicContact CB-CD1 4.03Å; L167-I321 HydrophobicContact CD1-CB 4.11Å; L167-I321 HydrophobicContact CD1-CD1 4.17Å; L167-I321 HydrophobicContact CD1-CG2 3.81Å; I169-I321 HydrophobicContact CB-CG2 4.07Å; I169-I321 HydrophobicContact CD1-CG2 3.61Å; I169-I321 HydrophobicContact CG1-CG2 4.46Å; I169-I321 HydrophobicContact CG2-CG2 3.81Å; W172-I321 HydrophobicContact CD2-CG1 4.31Å; W172-I321 HydrophobicContact CG-CG1 4.39Å; W172-I321 HydrophobicContact CG-CG2 4.23Å; W172-I321 PolarHBondContact NE1-O 3.02Å; I317-I321 WeakPolarHBondContact O-CG1 3.37Å; I317-I321 PolarHBondContact O-N 3.23Å; K318-I321 PolarHBondContact O-N 2.75Å; L319-I321 VanDerWaalsContact C-N 3.31Å; L319-I321 PolarHBondContact O-N 2.64Å; I321-W323 PolarHBondContact O-N 3.31Å; I321-W323 VanDerWaalsContact O-N 3.14Å; I321-S325 VanDerWaalsContact C-OG 3.29Å; I321-S325 WeakPolarHBondContact O-CB 3.45Å; I321-S325 PolarHBondContact O-OG 2.99Å
322	I	89.7	Confident	91.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-61.1	-26.7	-173.6	63.9	171.6	0	0	0	113.6	L167 L186 I187 K318 L319 D324 S325 L326	L167-I322 HydrophobicContact CD1-CG2 4.11Å; L167-I322 HydrophobicContact CD2-CG2 4.06Å; L186-I322 HydrophobicContact CD2-CG2 4.33Å; I187-I322 HydrophobicContact CD1-CB 4.41Å; I187-I322 HydrophobicContact CD1-CD1 2.96Å; I187-I322 HydrophobicContact CD1-CG1 4.17Å; I187-I322 HydrophobicContact CD1-CG2 4.2Å; I187-I322 HydrophobicContact CG1-CD1 4.36Å; K318-I322 WeakPolarHBondContact O-CG1 3.44Å; K318-I322 PolarHBondContact O-N 3.03Å; K318-I322 VanDerWaalsContact O-N 3.13Å; L319-I322 HydrophobicContact CB-CD1 4.48Å; L319-I322 HydrophobicContact CD2-CD1 3.54Å; L319-I322 WeakPolarHBondContact O-CG1 3.28Å; I322-D324 PolarHBondContact O-N 2.92Å; I322-S325 WeakPolarHBondContact CA-OG 3.33Å; I322-S325 PolarHBondContact O-N 2.86Å; I322-L326 HydrophobicContact CB-CB 4.22Å; I322-L326 HydrophobicContact CB-CD2 4.45Å; I322-L326 HydrophobicContact CG2-CD2 4.28Å; I322-L326 PolarHBondContact O-N 2.9Å; I322-L326 VanDerWaalsContact O-N 3.1Å
323	W	90.9	Very high	91.3	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-29.9	-160	-159.5	-101.6	0	0	0	112.1	W294 Y295 P297 I300 L319 I321 M388 C389 L392	W294-W323 HydrophobicContact CZ2-CG 4.4Å; W294-W323 AromaticContact NE1-CD2 3.66Å; W294-W323 AromaticContact NE1-CE3 3.36Å; W294-W323 AromaticContact NE1-CZ3 3.86Å; Y295-W323 HydrophobicContact CD2-CH2 4.26Å; Y295-W323 AromaticContact CD2-CZ2 3.78Å; Y295-W323 HydrophobicContact CD2-CZ2 3.78Å; Y295-W323 AromaticContact CG-CH2 3.93Å; Y295-W323 HydrophobicContact CG-CH2 3.93Å; Y295-W323 AromaticContact CG-CZ2 3.78Å; Y295-W323 HydrophobicContact CG-CZ2 3.78Å; P297-W323 HydrophobicContact CG-CZ3 4.17Å; I300-W323 HydrophobicContact CD1-CH2 3.79Å; I300-W323 HydrophobicContact CD1-CZ2 4.29Å; L319-W323 WeakPolarHBondContact O-CB 3.34Å; L319-W323 PolarHBondContact O-N 2.88Å; L319-W323 VanDerWaalsContact O-N 3.17Å; I321-W323 PolarHBondContact O-N 3.31Å; I321-W323 VanDerWaalsContact O-N 3.14Å; W323-M388 HydrophobicContact CD2-CB 3.39Å; W323-M388 HydrophobicContact CD2-CG 4.32Å; W323-M388 HydrophobicContact CE3-CB 3.48Å; W323-M388 VanDerWaalsContact CE3-CB 3.48Å; W323-M388 HydrophobicContact CE3-CG 3.91Å; W323-M388 HydrophobicContact CG-CB 3.95Å; W323-M388 HydrophobicContact CH2-CB 3.72Å; W323-M388 HydrophobicContact CH2-CE 3.64Å; W323-M388 HydrophobicContact CH2-CG 4.25Å; W323-M388 HydrophobicContact CZ2-CB 3.68Å; W323-M388 HydrophobicContact CZ2-CE 4.32Å; W323-M388 HydrophobicContact CZ3-CB 3.65Å; W323-M388 HydrophobicContact CZ3-CE 3.99Å; W323-M388 HydrophobicContact CZ3-CG 3.9Å; W323-M388 PolarHBondContact O-N 2.97Å; W323-C389 PolarHBondContact O-N 2.96Å; W323-L392 HydrophobicContact CZ2-CD1 3.66Å; W323-L392 HydrophobicContact CZ2-CD2 4.43Å; W323-L392 HydrophobicContact CZ2-CG 3.9Å
324	D	84.2	Confident	91.1	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-132.3	2.9	-174.4	64.7	-4.7	0	0	0	114.6	R39 W172 Y177 I322 R387	R39-D324 IonicContact CZ-OD2 2.71Å; R39-D324 IonicContact NH1-OD2 3.32Å; R39-D324 PolarHBondContact NH1-OD2 2.99Å; R39-D324 IonicContact NH2-OD2 3.52Å; R39-D324 PolarHBondContact NH2-OD2 3.44Å; W172-D324 PolarHBondContact NE1-OD1 3.42Å; Y177-D324 PolarHBondContact OH-OD1 3.15Å; Y177-D324 PolarHBondContact OH-OD2 3.36Å; I322-D324 PolarHBondContact O-N 2.92Å; D324-R387 WeakPolarHBondContact O-CD 3.47Å; D324-R387 PolarHBondContact O-NH1 3.12Å
325	S	86	Confident	90.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-113.5	-16	-179.5	61	0	0	0	0	113	I169 Y177 I179 K180 I321 I322	I169-S325 VanDerWaalsContact CD1-OG 3.26Å; I169-S325 WeakPolarHBondContact CD1-OG 3.31Å; Y177-S325 VanDerWaalsContact CD2-CB 3.46Å; I179-S325 CarbonylContact C-O 3.46Å; I179-S325 WeakPolarHBondContact CA-O 3.42Å; K180-S325 PolarHBondContact N-O 2.92Å; I321-S325 VanDerWaalsContact C-OG 3.29Å; I321-S325 WeakPolarHBondContact O-CB 3.45Å; I321-S325 PolarHBondContact O-OG 2.99Å; I322-S325 WeakPolarHBondContact CA-OG 3.33Å; I322-S325 PolarHBondContact O-N 2.86Å
326	L	88.4	Confident	90.5	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	-177	-162.1	62.7	0	0	0	110.7	K180 E182 L186 I322 L328 R387	K180-L326 HydrophobicContact CB-CD1 3.89Å; K180-L326 HydrophobicContact CD-CD1 4.19Å; K180-L326 HydrophobicContact CG-CD1 4.29Å; E182-L326 HydrophobicContact CB-CD1 3.54Å; E182-L326 HydrophobicContact CB-CD2 4.45Å; E182-L326 HydrophobicContact CB-CG 4.11Å; E182-L326 HydrophobicContact CG-CD1 4.35Å; L186-L326 HydrophobicContact CD2-CD2 4.25Å; I322-L326 HydrophobicContact CB-CB 4.22Å; I322-L326 HydrophobicContact CB-CD2 4.45Å; I322-L326 HydrophobicContact CG2-CD2 4.28Å; I322-L326 PolarHBondContact O-N 2.9Å; I322-L326 VanDerWaalsContact O-N 3.1Å; L326-L328 HydrophobicContact CD2-CD2 3.6Å; L326-L328 HydrophobicContact CD2-CG 4.35Å; L326-L328 HydrophobicContact CG-CD2 3.8Å; L326-L328 HydrophobicContact CG-CG 4.27Å; L326-R387 WeakPolarHBondContact O-CA 3.42Å; L326-R387 WeakPolarHBondContact O-CB 3.27Å; L326-R387 WeakPolarHBondContact O-CG 3.39Å
327	I	90.5	Very high	90.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.2	171.5	-67.4	168.3	0	0	0	108.3	I179 K180 F181 E182 Y378 Y385 R387	I179-I327 HydrophobicContact CG2-CD1 3.34Å; I179-I327 HydrophobicContact CG2-CG1 3.61Å; K180-I327 PolarHBondContact O-N 3.23Å; F181-I327 HydrophobicContact CD1-CB 3.91Å; F181-I327 HydrophobicContact CD1-CD1 4.34Å; F181-I327 HydrophobicContact CD1-CG2 3.7Å; F181-I327 HydrophobicContact CD2-CD1 4.21Å; F181-I327 HydrophobicContact CE1-CB 3.8Å; F181-I327 HydrophobicContact CE1-CD1 3.57Å; F181-I327 HydrophobicContact CE1-CG1 4.25Å; F181-I327 HydrophobicContact CE1-CG2 3.39Å; F181-I327 HydrophobicContact CE2-CD1 3.39Å; F181-I327 HydrophobicContact CE2-CG1 4.49Å; F181-I327 HydrophobicContact CG-CB 4.37Å; F181-I327 HydrophobicContact CZ-CB 4.12Å; F181-I327 HydrophobicContact CZ-CD1 3Å; F181-I327 HydrophobicContact CZ-CG1 4.1Å; F181-I327 HydrophobicContact CZ-CG2 4.08Å; E182-I327 PolarHBondContact N-O 2.86Å; E182-I327 VanDerWaalsContact N-O 3.14Å; I327-Y378 HydrophobicContact CD1-CD1 3.29Å; I327-Y378 HydrophobicContact CD1-CD2 4.02Å; I327-Y378 HydrophobicContact CD1-CE1 3.46Å; I327-Y378 VanDerWaalsContact CD1-CE1 3.46Å; I327-Y378 HydrophobicContact CD1-CE2 4.2Å; I327-Y378 HydrophobicContact CD1-CG 3.6Å; I327-Y378 HydrophobicContact CG1-CD1 4.33Å; I327-Y378 HydrophobicContact CG1-CE1 4.07Å; I327-Y378 HydrophobicContact CG1-CE2 4.39Å; I327-Y378 HydrophobicContact CG2-CD2 4.42Å; I327-Y378 HydrophobicContact CG2-CE2 4.49Å; I327-Y385 HydrophobicContact CG2-CD1 4.11Å; I327-Y385 HydrophobicContact CG2-CG 4.35Å; I327-R387 HydrophobicContact CB-CG 4.42Å; I327-R387 HydrophobicContact CD1-CG 4.3Å; I327-R387 HydrophobicContact CG1-CG 3.35Å
328	L	90.8	Very high	90	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.9	-176.2	-60.9	173.6	0	0	0	109.5	L189 L326 V330 Y385 F386 M388	L189-L328 HydrophobicContact CD1-CB 4.45Å; L189-L328 HydrophobicContact CD2-CD1 4.23Å; L326-L328 HydrophobicContact CD2-CD2 3.6Å; L326-L328 HydrophobicContact CD2-CG 4.35Å; L326-L328 HydrophobicContact CG-CD2 3.8Å; L326-L328 HydrophobicContact CG-CG 4.27Å; L328-V330 PolarHBondContact O-N 2.92Å; L328-Y385 WeakPolarHBondContact O-CA 3.26Å; L328-F386 PolarHBondContact N-O 2.73Å; L328-F386 PolarHBondContact O-N 3.26Å; L328-M388 HydrophobicContact CD1-CG 4.35Å; L328-M388 HydrophobicContact CD1-SD 4.16Å
329	K	91.8	Very high	90	Very high	92 Å²	92	36.3 Å²	36.3	40%	0.4	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.7	164.8	-175	166.7	-179.5	153	0	108.8	E384 Y385	K329-E384 WeakPolarHBondContact CA-O 3.22Å; K329-E384 VanDerWaalsContact CE-OE2 3.23Å; K329-E384 WeakPolarHBondContact CE-OE2 3.3Å; K329-E384 HydrophobicContact CG-CB 4.4Å; K329-E384 IonicContact NZ-OE1 2.67Å; K329-E384 IonicContact NZ-OE2 2.61Å; K329-E384 PolarHBondContact NZ-OE2 3.14Å; K329-Y385 HydrophobicContact CB-CD1 4.23Å; K329-Y385 HydrophobicContact CB-CE1 3.94Å
330	V	91.9	Very high	90.1	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-79.7	152.9	177.8	-57.5	0	0	0	0	110.6	F301 L328 A332 W334 E384 F386 V391	F301-V330 HydrophobicContact CE1-CB 3.86Å; F301-V330 HydrophobicContact CE1-CG1 3.73Å; F301-V330 HydrophobicContact CZ-CB 4.24Å; F301-V330 HydrophobicContact CZ-CG1 3.74Å; L328-V330 PolarHBondContact O-N 2.92Å; V330-A332 PolarHBondContact O-N 2.98Å; V330-W334 HydrophobicContact CB-CE3 3.91Å; V330-W334 HydrophobicContact CB-CZ3 4.37Å; V330-W334 HydrophobicContact CG1-CE3 4.2Å; V330-W334 HydrophobicContact CG1-CZ3 4.19Å; V330-W334 HydrophobicContact CG2-CE3 3.64Å; V330-W334 HydrophobicContact CG2-CZ3 4.09Å; V330-E384 WeakPolarHBondContact CG2-O 3.09Å; V330-E384 PolarHBondContact N-O 2.81Å; V330-F386 HydrophobicContact CB-CD2 4.45Å; V330-F386 HydrophobicContact CG1-CB 3.9Å; V330-F386 HydrophobicContact CG1-CD2 3.57Å; V330-F386 HydrophobicContact CG1-CE2 4.46Å; V330-F386 HydrophobicContact CG1-CG 4.09Å; V330-F386 HydrophobicContact CG2-CD2 4.01Å; V330-F386 HydrophobicContact CG2-CE2 4.19Å; V330-V391 HydrophobicContact CG1-CG2 4.39Å
331	P	91.7	Very high	90.4	Very high	12 Å²	12	37.7 Å²	37.7	8%	0.078	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-58.8	138.7	177.1	-23.5	33.9	0	0	0	112.2	L189 F301 Y333 W334	L189-P331 HydrophobicContact CB-CG 4.43Å; F301-P331 HydrophobicContact CB-CG 4.26Å; F301-P331 HydrophobicContact CD1-CG 4.32Å; F301-P331 HydrophobicContact CG-CG 4.24Å; P331-Y333 HydrophobicContact CB-CD1 3.77Å; P331-Y333 HydrophobicContact CB-CE1 3.25Å; P331-Y333 HydrophobicContact CB-CE2 4.26Å; P331-Y333 HydrophobicContact CB-CG 4.45Å; P331-Y333 HydrophobicContact CG-CE1 4.19Å; P331-Y333 PolarHBondContact O-N 3.45Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; P331-W334 VanDerWaalsContact O-CB 3.31Å; P331-W334 WeakPolarHBondContact O-CB 3.27Å; P331-W334 PolarHBondContact O-N 2.95Å
332	A	89.4	Confident	90.7	Very high	66 Å²	66	42.3 Å²	42.3	55%	0.545	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.8	-173	0	0	0	0	0	113.8	V330 H335	V330-A332 PolarHBondContact O-N 2.98Å; A332-H335 PolarHBondContact O-CE1 3.08Å; A332-H335 PolarHBondContact O-ND1 3.37Å; A332-H335 VanDerWaalsContact O-ND1 3.16Å
333	Y	89.7	Confident	91	Very high	72 Å²	72	45.2 Å²	45.2	28%	0.282	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-22	177.3	62.1	-96.8	0	0	0	113	L302 P331 H335 R336 D337	L302-Y333 WeakPolarHBondContact CD2-OH 3.23Å; P331-Y333 HydrophobicContact CB-CD1 3.77Å; P331-Y333 HydrophobicContact CB-CE1 3.25Å; P331-Y333 HydrophobicContact CB-CE2 4.26Å; P331-Y333 HydrophobicContact CB-CG 4.45Å; P331-Y333 HydrophobicContact CG-CE1 4.19Å; P331-Y333 PolarHBondContact O-N 3.45Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; Y333-H335 VanDerWaalsContact C-N 3.32Å; Y333-H335 PolarHBondContact O-N 2.87Å; Y333-R336 WeakPolarHBondContact O-CB 3.23Å; Y333-R336 PolarHBondContact O-N 3.21Å; Y333-D337 PolarHBondContact O-N 3.21Å
334	W	90.7	Very high	91.3	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-38.9	-166.6	173.3	60.7	0	0	0	113.9	F301 V330 P331 R336 D337 A341 F386 V391 A394 L395	F301-W334 HydrophobicContact CD1-CB 4.15Å; F301-W334 AromaticContact CD1-CD1 3.62Å; F301-W334 AromaticContact CD1-CD2 3.87Å; F301-W334 HydrophobicContact CD1-CD2 3.87Å; F301-W334 AromaticContact CD1-CG 3.6Å; F301-W334 HydrophobicContact CD1-CG 3.6Å; F301-W334 AromaticContact CD1-NE1 3.85Å; F301-W334 AromaticContact CE1-CD2 3.73Å; F301-W334 HydrophobicContact CE1-CD2 3.73Å; F301-W334 AromaticContact CE1-CE2 3.88Å; F301-W334 HydrophobicContact CE1-CE3 4.09Å; F301-W334 AromaticContact CE1-CG 3.98Å; F301-W334 HydrophobicContact CE1-CG 3.98Å; F301-W334 HydrophobicContact CE1-CZ2 4.38Å; V330-W334 HydrophobicContact CB-CE3 3.91Å; V330-W334 HydrophobicContact CB-CZ3 4.37Å; V330-W334 HydrophobicContact CG1-CE3 4.2Å; V330-W334 HydrophobicContact CG1-CZ3 4.19Å; V330-W334 HydrophobicContact CG2-CE3 3.64Å; V330-W334 HydrophobicContact CG2-CZ3 4.09Å; P331-W334 VanDerWaalsContact O-CB 3.31Å; P331-W334 WeakPolarHBondContact O-CB 3.27Å; P331-W334 PolarHBondContact O-N 2.95Å; W334-R336 PolarHBondContact O-N 3.27Å; W334-D337 PolarHBondContact O-N 3.34Å; W334-A341 HydrophobicContact CD2-CB 4.25Å; W334-A341 HydrophobicContact CE3-CB 4.32Å; W334-A341 HydrophobicContact CH2-CB 4Å; W334-A341 HydrophobicContact CZ2-CB 3.88Å; W334-A341 HydrophobicContact CZ3-CB 4.22Å; W334-F386 HydrophobicContact CH2-CZ 4.4Å; W334-F386 HydrophobicContact CZ3-CD2 4.06Å; W334-F386 HydrophobicContact CZ3-CE1 4.44Å; W334-F386 AromaticContact CZ3-CE2 3.72Å; W334-F386 HydrophobicContact CZ3-CE2 3.72Å; W334-F386 AromaticContact CZ3-CZ 3.92Å; W334-F386 HydrophobicContact CZ3-CZ 3.92Å; W334-V391 HydrophobicContact CH2-CB 4.36Å; W334-V391 HydrophobicContact CH2-CG1 4Å; W334-V391 HydrophobicContact CH2-CG2 4.23Å; W334-V391 HydrophobicContact CZ2-CB 4.5Å; W334-V391 HydrophobicContact CZ2-CG1 3.66Å; W334-A394 HydrophobicContact CH2-CB 4.27Å; W334-L395 HydrophobicContact CZ2-CD1 4.19Å; W334-L395 HydrophobicContact CZ2-CD2 3.76Å; W334-L395 HydrophobicContact CZ2-CG 3.87Å
335	H	88.6	Confident	91.9	Very high	24 Å²	24	47.9 Å²	47.9	11%	0.111	23%	0.229	C	C	.	.	H	α-helix	trans	-72.5	-12.7	178.6	64.8	-93.6	0	0	0	113.5	A332 Y333 E342 Y345	A332-H335 PolarHBondContact O-CE1 3.08Å; A332-H335 PolarHBondContact O-ND1 3.37Å; A332-H335 VanDerWaalsContact O-ND1 3.16Å; Y333-H335 VanDerWaalsContact C-N 3.32Å; Y333-H335 PolarHBondContact O-N 2.87Å; H335-E342 VanDerWaalsContact O-CA 3.25Å; H335-E342 WeakPolarHBondContact O-CA 3.21Å; H335-E342 WeakPolarHBondContact O-CB 3.38Å; H335-E342 PolarHBondContact O-N 3.19Å; H335-Y345 HydrophobicContact CB-CD2 4.09Å; H335-Y345 HydrophobicContact CB-CG 3.94Å; H335-Y345 AromaticContact CD2-CD1 3.73Å; H335-Y345 AromaticContact CD2-CE1 3.97Å; H335-Y345 AromaticContact CD2-CG 3.8Å; H335-Y345 AromaticContact CE1-CE2 3.75Å; H335-Y345 AromaticContact CE1-CZ 3.82Å; H335-Y345 AromaticContact CG-CD2 3.72Å; H335-Y345 AromaticContact CG-CG 3.71Å; H335-Y345 AromaticContact ND1-CD2 3.73Å; H335-Y345 AromaticContact ND1-CE2 3.78Å; H335-Y345 AromaticContact NE2-CE1 3.81Å; H335-Y345 AromaticContact NE2-CZ 3.84Å
336	R	90	Very high	92.4	Very high	186 Å²	186	52.3 Å²	52.3	70%	0.702	25%	0.249	S	C	*	.	H	α-helix	trans	-89.1	-29.9	178	-56.5	-174.9	-178.6	-167.9	-0.4	112.3	Y333 W334	Y333-R336 WeakPolarHBondContact O-CB 3.23Å; Y333-R336 PolarHBondContact O-N 3.21Å; W334-R336 PolarHBondContact O-N 3.27Å
337	D	88.3	Confident	92.8	Very high	123 Å²	123	52.5 Å²	52.5	66%	0.658	25%	0.251	S	S	*	.	H	α-helix	trans	-92.2	-4.8	-175.9	-61.4	-22.5	0	0	0	112.9	Y333 W334	Y333-D337 PolarHBondContact O-N 3.21Å; W334-D337 PolarHBondContact O-N 3.34Å
338	N	90.9	Very high	93	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.107	25%	0.251	C	S	.	.			trans	-134.2	118.7	178.6	-172.7	-67.5	0	0	0	112.2	N304 E340 A341 E342 L395	N304-N338 PolarHBondContact ND2-ND2 3.03Å; N304-N338 PolarHBondContact OD1-ND2 2.99Å; N338-E340 VanDerWaalsContact C-N 3.35Å; N338-E340 PolarHBondContact O-N 3.29Å; N338-E340 PolarHBondContact OD1-N 3.01Å; N338-A341 HydrophobicContact CB-CB 3.9Å; N338-A341 WeakPolarHBondContact O-CB 3.12Å; N338-A341 PolarHBondContact O-N 3.38Å; N338-A341 VanDerWaalsContact O-N 3.15Å; N338-A341 PolarHBondContact OD1-N 2.97Å; N338-A341 VanDerWaalsContact OD1-N 3.12Å; N338-E342 PolarHBondContact O-N 2.69Å; N338-L395 HydrophobicContact CB-CD2 4.19Å; N338-L395 WeakPolarHBondContact ND2-CD2 3.41Å
339	L	93.3	Very high	93.2	Very high	108 Å²	108	54.9 Å²	54.9	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-58.7	-38.2	-176.4	-178.2	64.7	0	0	0	114.2	K343	L339-K343 WeakPolarHBondContact O-CG 3.44Å; L339-K343 PolarHBondContact O-N 2.93Å
340	E	95.5	Very high	93.3	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-75.7	-35.4	179.3	-63.5	-55.2	131.3	0	0	111.3	N338 E342 K343 V344 A394	N338-E340 VanDerWaalsContact C-N 3.35Å; N338-E340 PolarHBondContact O-N 3.29Å; N338-E340 PolarHBondContact OD1-N 3.01Å; E340-E342 VanDerWaalsContact C-N 3.34Å; E340-K343 PolarHBondContact O-N 3.32Å; E340-K343 IonicContact OE1-NZ 3.94Å; E340-K343 PolarHBondContact OE1-NZ 3.49Å; E340-K343 IonicContact OE2-NZ 2.8Å; E340-V344 WeakPolarHBondContact O-CG2 3.4Å; E340-V344 PolarHBondContact O-N 3.2Å; E340-V344 VanDerWaalsContact O-N 3.17Å; E340-A394 VanDerWaalsContact CB-O 3.29Å; E340-A394 WeakPolarHBondContact CB-O 3.39Å
341	A	95.3	Very high	93.4	Very high	1 Å²	1	55 Å²	55	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-38.7	171.9	0	0	0	0	0	111.6	W334 N338 V344 Y345	W334-A341 HydrophobicContact CD2-CB 4.25Å; W334-A341 HydrophobicContact CE3-CB 4.32Å; W334-A341 HydrophobicContact CH2-CB 4Å; W334-A341 HydrophobicContact CZ2-CB 3.88Å; W334-A341 HydrophobicContact CZ3-CB 4.22Å; N338-A341 HydrophobicContact CB-CB 3.9Å; N338-A341 WeakPolarHBondContact O-CB 3.12Å; N338-A341 PolarHBondContact O-N 3.38Å; N338-A341 VanDerWaalsContact O-N 3.15Å; N338-A341 PolarHBondContact OD1-N 2.97Å; N338-A341 VanDerWaalsContact OD1-N 3.12Å; A341-V344 PolarHBondContact O-N 3.4Å; A341-Y345 WeakPolarHBondContact O-CB 3.37Å; A341-Y345 PolarHBondContact O-N 3.48Å
342	E	96.5	Very high	93.4	Very high	97 Å²	97	57.9 Å²	57.9	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-58.3	-50.2	175.2	-168.3	179	-158.4	0	0	111.5	H335 N338 E340 V344 Y345 E346	H335-E342 VanDerWaalsContact O-CA 3.25Å; H335-E342 WeakPolarHBondContact O-CA 3.21Å; H335-E342 WeakPolarHBondContact O-CB 3.38Å; H335-E342 PolarHBondContact O-N 3.19Å; N338-E342 PolarHBondContact O-N 2.69Å; E340-E342 VanDerWaalsContact C-N 3.34Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.38Å; E342-Y345 WeakPolarHBondContact O-CB 3.46Å; E342-Y345 PolarHBondContact O-N 2.61Å; E342-Y345 VanDerWaalsContact O-N 3.15Å; E342-E346 PolarHBondContact O-N 3.43Å
343	K	97.2	Very high	93.4	Very high	61 Å²	61	57.7 Å²	57.7	27%	0.265	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-43.1	177.3	-71	170.9	-172.6	167.5	0	112.2	L339 E340 V347 Y400	L339-K343 WeakPolarHBondContact O-CG 3.44Å; L339-K343 PolarHBondContact O-N 2.93Å; E340-K343 PolarHBondContact O-N 3.32Å; E340-K343 IonicContact OE1-NZ 3.94Å; E340-K343 PolarHBondContact OE1-NZ 3.49Å; E340-K343 IonicContact OE2-NZ 2.8Å; K343-V347 WeakPolarHBondContact O-CG2 3.44Å; K343-V347 PolarHBondContact O-N 2.98Å; K343-V347 VanDerWaalsContact O-N 3.16Å; K343-Y400 HydrophobicContact CB-CD2 3.66Å; K343-Y400 HydrophobicContact CB-CE2 3.79Å; K343-Y400 HydrophobicContact CB-CG 4.12Å; K343-Y400 HydrophobicContact CD-CD1 4.49Å; K343-Y400 HydrophobicContact CD-CE1 4.44Å; K343-Y400 HydrophobicContact CG-CE2 4.48Å
344	V	97	Very high	93.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-44.8	176.9	170	0	0	0	0	110.4	E340 A341 E342 V347 R348 F386 A394 L399 L403	E340-V344 WeakPolarHBondContact O-CG2 3.4Å; E340-V344 PolarHBondContact O-N 3.2Å; E340-V344 VanDerWaalsContact O-N 3.17Å; A341-V344 PolarHBondContact O-N 3.4Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.38Å; V344-V347 PolarHBondContact O-N 2.93Å; V344-R348 HydrophobicContact CG1-CG 4.28Å; V344-R348 WeakPolarHBondContact O-CB 3.26Å; V344-R348 VanDerWaalsContact O-CG 3.26Å; V344-R348 WeakPolarHBondContact O-CG 3.45Å; V344-R348 PolarHBondContact O-N 2.96Å; V344-F386 HydrophobicContact CG1-CE1 3.95Å; V344-F386 HydrophobicContact CG1-CZ 3.82Å; V344-A394 HydrophobicContact CB-CB 4.49Å; V344-A394 HydrophobicContact CG2-CB 4Å; V344-L399 HydrophobicContact CG1-CD2 4Å; V344-L399 HydrophobicContact CG2-CB 4.43Å; V344-L399 HydrophobicContact CG2-CD2 4.46Å; V344-L399 HydrophobicContact CG2-CG 4.45Å; V344-L403 HydrophobicContact CG1-CD1 3.87Å
345	Y	96.7	Very high	93.2	Very high	70 Å²	70	54.6 Å²	54.6	28%	0.275	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-48.9	177.6	-177.4	-92.6	0	0	0	111.1	H335 A341 E342 V347 R348 T349 P383	H335-Y345 HydrophobicContact CB-CD2 4.09Å; H335-Y345 HydrophobicContact CB-CG 3.94Å; H335-Y345 AromaticContact CD2-CD1 3.73Å; H335-Y345 AromaticContact CD2-CE1 3.97Å; H335-Y345 AromaticContact CD2-CG 3.8Å; H335-Y345 AromaticContact CE1-CE2 3.75Å; H335-Y345 AromaticContact CE1-CZ 3.82Å; H335-Y345 AromaticContact CG-CD2 3.72Å; H335-Y345 AromaticContact CG-CG 3.71Å; H335-Y345 AromaticContact ND1-CD2 3.73Å; H335-Y345 AromaticContact ND1-CE2 3.78Å; H335-Y345 AromaticContact NE2-CE1 3.81Å; H335-Y345 AromaticContact NE2-CZ 3.84Å; A341-Y345 WeakPolarHBondContact O-CB 3.37Å; A341-Y345 PolarHBondContact O-N 3.48Å; E342-Y345 WeakPolarHBondContact O-CB 3.46Å; E342-Y345 PolarHBondContact O-N 2.61Å; E342-Y345 VanDerWaalsContact O-N 3.15Å; Y345-V347 PolarHBondContact O-N 3Å; Y345-R348 PolarHBondContact O-N 3.26Å; Y345-T349 WeakPolarHBondContact O-CB 3.38Å; Y345-T349 PolarHBondContact O-N 3.5Å; Y345-T349 PolarHBondContact O-OG1 3.06Å; Y345-P383 HydrophobicContact CD2-CB 3.79Å; Y345-P383 HydrophobicContact CE2-CB 3.84Å; Y345-P383 HydrophobicContact CE2-CG 4.39Å
346	E	96	Very high	93.1	Very high	93 Å²	93	56 Å²	56	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-47.7	179.4	-168.1	-164.9	162.6	0	0	112.2	E342 T349 K350	E342-E346 PolarHBondContact O-N 3.43Å; E346-T349 PolarHBondContact O-N 3.29Å; E346-K350 HydrophobicContact CG-CD 4.48Å; E346-K350 WeakPolarHBondContact O-CG 3.38Å; E346-K350 PolarHBondContact O-N 3.14Å; E346-K350 WeakPolarHBondContact OE1-CE 3.03Å; E346-K350 IonicContact OE1-NZ 3.41Å; E346-K350 PolarHBondContact OE1-NZ 3.16Å
347	V	96.4	Very high	93.1	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-41.6	179.7	170.5	0	0	0	0	111.8	K343 V344 Y345 K350 L351 Y400 L403 L407	K343-V347 WeakPolarHBondContact O-CG2 3.44Å; K343-V347 PolarHBondContact O-N 2.98Å; K343-V347 VanDerWaalsContact O-N 3.16Å; V344-V347 PolarHBondContact O-N 2.93Å; Y345-V347 PolarHBondContact O-N 3Å; V347-K350 PolarHBondContact O-N 3.1Å; V347-L351 HydrophobicContact CG1-CD1 4.06Å; V347-L351 WeakPolarHBondContact O-CG 3.36Å; V347-L351 PolarHBondContact O-N 2.7Å; V347-Y400 HydrophobicContact CG2-CD2 3.9Å; V347-Y400 HydrophobicContact CG2-CE2 3.45Å; V347-Y400 VanDerWaalsContact CG2-CE2 3.45Å; V347-L403 HydrophobicContact CG1-CB 3.65Å; V347-L407 HydrophobicContact CB-CD2 4.49Å; V347-L407 HydrophobicContact CG1-CB 4.1Å; V347-L407 HydrophobicContact CG1-CD2 4.04Å; V347-L407 HydrophobicContact CG2-CD2 4.29Å
348	R	95.4	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-38.2	178.3	-68.8	-179.7	77.9	-165.2	3.2	111.7	V344 Y345 K350 L351 Q352 Y378 L379 N382 P383 Y385 L403	V344-R348 HydrophobicContact CG1-CG 4.28Å; V344-R348 WeakPolarHBondContact O-CB 3.26Å; V344-R348 VanDerWaalsContact O-CG 3.26Å; V344-R348 WeakPolarHBondContact O-CG 3.45Å; V344-R348 PolarHBondContact O-N 2.96Å; Y345-R348 PolarHBondContact O-N 3.26Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3.13Å; R348-L351 PolarHBondContact O-N 3.28Å; R348-Q352 PolarHBondContact O-N 3.33Å; R348-Y378 PolarHBondContact NH2-O 3.44Å; R348-L379 WeakPolarHBondContact CG-O 3.42Å; R348-L379 PolarHBondContact NE-O 3.36Å; R348-N382 PolarHBondContact NH1-O 2.74Å; R348-N382 PolarHBondContact NH2-O 3.1Å; R348-P383 HydrophobicContact CB-CB 3.88Å; R348-Y385 PolarHBondContact NH1-O 3.17Å; R348-Y385 PolarHBondContact NH2-O 3.15Å; R348-L403 HydrophobicContact CG-CD1 3.7Å
349	T	94.9	Very high	92.8	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.344	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-39.1	173	-62.3	0	0	0	0	111.6	Y345 E346 P353	Y345-T349 WeakPolarHBondContact O-CB 3.38Å; Y345-T349 PolarHBondContact O-N 3.5Å; Y345-T349 PolarHBondContact O-OG1 3.06Å; E346-T349 PolarHBondContact O-N 3.29Å; T349-P353 WeakPolarHBondContact O-CD 3.42Å
350	K	94.6	Very high	92.6	Very high	103 Å²	103	47.5 Å²	47.5	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-69.1	-36.2	174.3	-74.6	172.9	174.7	172	0	113.1	E346 V347 R348 P353 L354 L407	E346-K350 HydrophobicContact CG-CD 4.48Å; E346-K350 WeakPolarHBondContact O-CG 3.38Å; E346-K350 PolarHBondContact O-N 3.14Å; E346-K350 WeakPolarHBondContact OE1-CE 3.03Å; E346-K350 IonicContact OE1-NZ 3.41Å; E346-K350 PolarHBondContact OE1-NZ 3.16Å; V347-K350 PolarHBondContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3.13Å; K350-P353 WeakPolarHBondContact O-CD 3.43Å; K350-L354 WeakPolarHBondContact O-CG 3.49Å; K350-L407 HydrophobicContact CB-CD1 3.92Å; K350-L407 HydrophobicContact CB-CD2 3.97Å; K350-L407 HydrophobicContact CD-CD2 4.03Å
351	L	93.3	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-37.7	177.9	-79.8	168.5	0	0	0	113	V347 R348 L354 L355 L380 H406 L407 W410	V347-L351 HydrophobicContact CG1-CD1 4.06Å; V347-L351 WeakPolarHBondContact O-CG 3.36Å; V347-L351 PolarHBondContact O-N 2.7Å; R348-L351 PolarHBondContact O-N 3.28Å; L351-L354 WeakPolarHBondContact O-CA 3.42Å; L351-L354 WeakPolarHBondContact O-CB 3.4Å; L351-L354 PolarHBondContact O-N 3.32Å; L351-L355 PolarHBondContact O-N 3.01Å; L351-L380 WeakPolarHBondContact CB-O 3.32Å; L351-H406 HydrophobicContact CD2-CB 4.46Å; L351-L407 HydrophobicContact CD2-CB 3.95Å; L351-L407 HydrophobicContact CD2-CD1 4.02Å; L351-L407 HydrophobicContact CG-CB 4.07Å; L351-L407 HydrophobicContact CG-CD1 4.09Å; L351-W410 HydrophobicContact CD2-CB 4.45Å; L351-W410 HydrophobicContact CD2-CG 4.16Å
352	Q	91.4	Very high	92.2	Very high	73 Å²	73	49.9 Å²	49.9	34%	0.341	25%	0.25	S	C	.	.	H	α-helix	trans	-49.3	-52.6	-174.7	-178.8	173.4	10.6	0	0	114.6	R348 L354 L355 G381	R348-Q352 PolarHBondContact O-N 3.33Å; Q352-L354 VanDerWaalsContact C-N 3.29Å; Q352-L354 PolarHBondContact O-N 3.42Å; Q352-L355 PolarHBondContact O-N 3.44Å; Q352-G381 WeakPolarHBondContact CG-O 3.46Å; Q352-G381 PolarHBondContact NE2-O 2.95Å
353	P	89.1	Confident	91.9	Very high	62 Å²	62	50.8 Å²	50.8	40%	0.403	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-28.5	177.7	26.7	-35	0	0	0	112.7	T349 K350 L355 R356	T349-P353 WeakPolarHBondContact O-CD 3.42Å; K350-P353 WeakPolarHBondContact O-CD 3.43Å; P353-L355 PolarHBondContact O-N 3.47Å; P353-R356 WeakPolarHBondContact O-CB 3.23Å; P353-R356 WeakPolarHBondContact O-CG 3.48Å; P353-R356 PolarHBondContact O-N 3.37Å; P353-R356 VanDerWaalsContact O-N 3.17Å
354	L	89.9	Confident	91.7	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-27.7	179.2	-54.4	176.1	0	0	0	111.7	K350 L351 Q352 R356 Y357 L407 W410 L411 K414	K350-L354 WeakPolarHBondContact O-CG 3.49Å; L351-L354 WeakPolarHBondContact O-CA 3.42Å; L351-L354 WeakPolarHBondContact O-CB 3.4Å; L351-L354 PolarHBondContact O-N 3.32Å; Q352-L354 VanDerWaalsContact C-N 3.29Å; Q352-L354 PolarHBondContact O-N 3.42Å; L354-R356 PolarHBondContact O-N 3.29Å; L354-R356 VanDerWaalsContact O-N 3.15Å; L354-Y357 HydrophobicContact CB-CD2 4.32Å; L354-Y357 HydrophobicContact CD2-CD2 4.23Å; L354-Y357 HydrophobicContact CD2-CE2 3.73Å; L354-Y357 WeakPolarHBondContact O-CB 3.41Å; L354-Y357 VanDerWaalsContact O-CD2 3.24Å; L354-Y357 WeakPolarHBondContact O-CD2 3.27Å; L354-Y357 PolarHBondContact O-N 3.24Å; L354-Y357 VanDerWaalsContact O-N 3.1Å; L354-L407 HydrophobicContact CD1-CD1 3.63Å; L354-W410 HydrophobicContact CB-CB 4.36Å; L354-W410 HydrophobicContact CB-CD2 4.17Å; L354-W410 HydrophobicContact CB-CE3 3.98Å; L354-W410 HydrophobicContact CB-CG 4.36Å; L354-W410 HydrophobicContact CD1-CB 3.64Å; L354-W410 HydrophobicContact CD1-CG 4.38Å; L354-W410 VanDerWaalsContact O-CZ3 3.26Å; L354-W410 WeakPolarHBondContact O-CZ3 3.47Å; L354-L411 HydrophobicContact CD1-CD2 4.09Å; L354-L411 HydrophobicContact CD1-CG 4.45Å; L354-K414 HydrophobicContact CD2-CD 4.09Å
355	L	88	Confident	91.4	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.4	175.8	-63.8	-173.7	0	0	0	113.6	L351 Q352 P353 Y357 A358 K368 L380 W410 W434	L351-L355 PolarHBondContact O-N 3.01Å; Q352-L355 PolarHBondContact O-N 3.44Å; P353-L355 PolarHBondContact O-N 3.47Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 3.39Å; L355-A358 VanDerWaalsContact O-CB 3.27Å; L355-A358 WeakPolarHBondContact O-CB 3.29Å; L355-A358 PolarHBondContact O-N 2.91Å; L355-K368 HydrophobicContact CD2-CD 4.28Å; L355-K368 HydrophobicContact CD2-CG 4.4Å; L355-L380 HydrophobicContact CD1-CB 3.98Å; L355-L380 WeakPolarHBondContact CD1-O 3.44Å; L355-L380 HydrophobicContact CD2-CB 4.05Å; L355-W410 HydrophobicContact CD2-CZ2 3.83Å; L355-W434 HydrophobicContact CB-CZ2 4.24Å; L355-W434 HydrophobicContact CD1-CH2 3.87Å; L355-W434 HydrophobicContact CD1-CZ2 4.36Å; L355-W434 HydrophobicContact CD1-CZ3 4.45Å
356	R	86.3	Confident	91.2	Very high	53 Å²	53	48.7 Å²	48.7	20%	0.2	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-64.4	-32.7	175.4	-59.9	-179.6	-173.4	-179.5	4.9	111.6	P353 L354 A358 M359 I427 D431	P353-R356 WeakPolarHBondContact O-CB 3.23Å; P353-R356 WeakPolarHBondContact O-CG 3.48Å; P353-R356 PolarHBondContact O-N 3.37Å; P353-R356 VanDerWaalsContact O-N 3.17Å; L354-R356 PolarHBondContact O-N 3.29Å; L354-R356 VanDerWaalsContact O-N 3.15Å; R356-A358 PolarHBondContact O-N 3.17Å; R356-M359 WeakPolarHBondContact O-CB 3.36Å; R356-M359 PolarHBondContact O-N 3.18Å; R356-M359 VanDerWaalsContact O-N 3.14Å; R356-I427 HydrophobicContact CB-CD1 4.5Å; R356-I427 HydrophobicContact CB-CG2 3.97Å; R356-I427 HydrophobicContact CG-CG2 4.23Å; R356-I427 PolarHBondContact NH1-O 3.29Å; R356-I427 VanDerWaalsContact NH1-O 3.14Å; R356-D431 IonicContact CZ-OD1 3.1Å; R356-D431 IonicContact NH1-OD1 3.69Å; R356-D431 PolarHBondContact NH1-OD1 2.69Å; R356-D431 VanDerWaalsContact NH1-OD1 3.1Å; R356-D431 IonicContact NH2-OD1 3.35Å; R356-D431 PolarHBondContact NH2-OD1 3.15Å
357	Y	88.8	Confident	91	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.047	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63	-25.5	176.9	-62.7	-63.5	0	0	0	112.9	L354 L355 M359 L360 C361 A364 K414 C420 S423 I427	L354-Y357 HydrophobicContact CB-CD2 4.32Å; L354-Y357 HydrophobicContact CD2-CD2 4.23Å; L354-Y357 HydrophobicContact CD2-CE2 3.73Å; L354-Y357 WeakPolarHBondContact O-CB 3.41Å; L354-Y357 VanDerWaalsContact O-CD2 3.24Å; L354-Y357 WeakPolarHBondContact O-CD2 3.27Å; L354-Y357 PolarHBondContact O-N 3.24Å; L354-Y357 VanDerWaalsContact O-N 3.1Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 3.39Å; Y357-M359 PolarHBondContact O-N 3.26Å; Y357-M359 VanDerWaalsContact O-N 3.12Å; Y357-L360 PolarHBondContact O-N 2.99Å; Y357-C361 PolarHBondContact O-N 2.9Å; Y357-A364 WeakPolarHBondContact O-CB 3.48Å; Y357-K414 HydrophobicContact CE2-CD 3.93Å; Y357-K414 HydrophobicContact CE2-CG 4.48Å; Y357-K414 WeakPolarHBondContact OH-CE 3.3Å; Y357-K414 PolarHBondContact OH-NZ 3.34Å; Y357-C420 HydrophobicContact CD1-CB 3.87Å; Y357-C420 HydrophobicContact CE1-CB 4.16Å; Y357-C420 WeakPolarHBondContact CE1-O 3.31Å; Y357-C420 HydrophobicContact CG-CB 4.24Å; Y357-S423 VanDerWaalsContact CE1-OG 3.26Å; Y357-S423 WeakPolarHBondContact CE1-OG 3.16Å; Y357-I427 HydrophobicContact CD1-CD1 3.73Å; Y357-I427 HydrophobicContact CE1-CD1 3.53Å
358	A	88.5	Confident	90.7	Very high	9 Å²	9	46.7 Å²	46.7	7%	0.074	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.9	-19.5	176.9	0	0	0	0	0	113.7	L355 R356 S365 K368 W410	L355-A358 VanDerWaalsContact O-CB 3.27Å; L355-A358 WeakPolarHBondContact O-CB 3.29Å; L355-A358 PolarHBondContact O-N 2.91Å; R356-A358 PolarHBondContact O-N 3.17Å; A358-S365 WeakPolarHBondContact O-CB 3.15Å; A358-S365 PolarHBondContact O-OG 3.46Å; A358-K368 HydrophobicContact CB-CB 4.08Å; A358-K368 HydrophobicContact CB-CD 3.56Å; A358-K368 HydrophobicContact CB-CG 4.48Å; A358-W410 HydrophobicContact CB-CH2 4.12Å
359	M	85.4	Confident	90.4	Very high	144 Å²	144	46.7 Å²	46.7	71%	0.709	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-85.3	-21.1	176.7	-59	-58	-63.1	0	0	112.8	R356 Y357	R356-M359 WeakPolarHBondContact O-CB 3.36Å; R356-M359 PolarHBondContact O-N 3.18Å; R356-M359 VanDerWaalsContact O-N 3.14Å; Y357-M359 PolarHBondContact O-N 3.26Å; Y357-M359 VanDerWaalsContact O-N 3.12Å
360	L	87.6	Confident	90.1	Very high	94 Å²	94	46.9 Å²	46.9	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-33.9	-172	-58.6	175.2	0	0	0	112.4	Y357 I427	Y357-L360 PolarHBondContact O-N 2.99Å; L360-I427 HydrophobicContact CD1-CD1 3.61Å; L360-I427 HydrophobicContact CD1-CG1 4.04Å
361	C	91.7	Very high	89.7	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.02	23%	0.231	C	C	.	.			trans	-115.3	124.2	-173.9	174.5	0	0	0	0	110.8	Y357 E363 A364 S365 H413 C417 I419 C420	Y357-C361 PolarHBondContact O-N 2.9Å; C361-E363 VanDerWaalsContact C-N 3.3Å; C361-E363 PolarHBondContact O-N 2.75Å; C361-E363 PolarHBondContact SG-N 3.49Å; C361-A364 HydrophobicContact CB-CB 3.73Å; C361-A364 WeakPolarHBondContact O-CB 3.09Å; C361-A364 PolarHBondContact O-N 3.18Å; C361-A364 PolarHBondContact SG-N 3.05Å; C361-S365 PolarHBondContact O-N 3Å; C361-H413 VanDerWaalsContact SG-CE1 3.58Å; C361-C417 VanDerWaalsContact SG-SG 3.63Å; C361-I419 HydrophobicContact CB-CB 4.45Å; C361-I419 HydrophobicContact CB-CG2 4.23Å; C361-C420 WeakPolarHBondContact CB-SG 3.18Å
362	P	90.8	Very high	89.4	Confident	95 Å²	95	42.2 Å²	42.2	62%	0.617	23%	0.232	S	C	*	.	H	α-helix	trans	-58.5	-39.1	176.3	-26.1	35.1	0	0	0	113.4	S365 S366	P362-S365 VanDerWaalsContact O-CB 3.3Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.44Å; P362-S366 PolarHBondContact O-N 3.42Å; P362-S366 PolarHBondContact O-OG 2.93Å
363	E	92	Very high	88.9	Confident	117 Å²	117	41.3 Å²	41.3	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-44.6	178.3	-63.6	168.9	179.9	0	0	111.3	C361 S365 S366 I367 H413	C361-E363 VanDerWaalsContact C-N 3.3Å; C361-E363 PolarHBondContact O-N 2.75Å; C361-E363 PolarHBondContact SG-N 3.49Å; E363-S365 VanDerWaalsContact C-N 3.26Å; E363-S365 PolarHBondContact O-N 3.31Å; E363-S366 WeakPolarHBondContact O-CB 3.4Å; E363-S366 PolarHBondContact O-N 3.13Å; E363-S366 VanDerWaalsContact O-N 3.12Å; E363-I367 WeakPolarHBondContact O-CG1 3.33Å; E363-I367 PolarHBondContact O-N 3.34Å; E363-H413 IonicContact OE2-CE1 3.29Å; E363-H413 PolarHBondContact OE2-CE1 3.43Å; E363-H413 IonicContact OE2-ND1 2.7Å
364	A	92.3	Very high	88.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-39.4	171.7	0	0	0	0	0	111.8	Y357 C361 S366 I367 K368 W410	Y357-A364 WeakPolarHBondContact O-CB 3.48Å; C361-A364 HydrophobicContact CB-CB 3.73Å; C361-A364 WeakPolarHBondContact O-CB 3.09Å; C361-A364 PolarHBondContact O-N 3.18Å; C361-A364 PolarHBondContact SG-N 3.05Å; A364-S366 VanDerWaalsContact C-N 3.33Å; A364-I367 PolarHBondContact O-N 3.4Å; A364-K368 PolarHBondContact O-N 2.78Å; A364-W410 HydrophobicContact CB-CH2 3.94Å; A364-W410 HydrophobicContact CB-CZ3 3.68Å; A364-W410 VanDerWaalsContact O-CH2 3.27Å; A364-W410 WeakPolarHBondContact O-CH2 3.24Å
365	S	91.2	Very high	87.8	Confident	31 Å²	31	43.8 Å²	43.8	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-40.9	175.3	-158	0	0	0	0	111.8	A358 C361 P362 E363 A369	A358-S365 WeakPolarHBondContact O-CB 3.15Å; A358-S365 PolarHBondContact O-OG 3.46Å; C361-S365 PolarHBondContact O-N 3Å; P362-S365 VanDerWaalsContact O-CB 3.3Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.44Å; E363-S365 VanDerWaalsContact C-N 3.26Å; E363-S365 PolarHBondContact O-N 3.31Å; S365-A369 VanDerWaalsContact O-CB 3.28Å; S365-A369 WeakPolarHBondContact O-CB 3.25Å; S365-A369 PolarHBondContact O-N 2.67Å
366	S	91.3	Very high	87.4	Confident	56 Å²	56	44.3 Å²	44.3	39%	0.392	25%	0.25	S	S	.	.	H	α-helix	trans	-67.9	-38.5	173.9	-67.3	0	0	0	0	112.8	P362 E363 A364 A369 S370	P362-S366 PolarHBondContact O-N 3.42Å; P362-S366 PolarHBondContact O-OG 2.93Å; E363-S366 WeakPolarHBondContact O-CB 3.4Å; E363-S366 PolarHBondContact O-N 3.13Å; E363-S366 VanDerWaalsContact O-N 3.12Å; A364-S366 VanDerWaalsContact C-N 3.33Å; S366-A369 PolarHBondContact O-N 3.26Å; S366-S370 WeakPolarHBondContact O-CB 3.46Å; S366-S370 PolarHBondContact O-N 3.1Å; S366-S370 PolarHBondContact O-OG 3.47Å
367	I	92.2	Very high	87.3	Confident	29 Å²	29	42.5 Å²	42.5	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-51.5	173.5	-68.8	166.9	0	0	0	109.9	E363 A364 A369 S370 A371 I409 W410 H413	E363-I367 WeakPolarHBondContact O-CG1 3.33Å; E363-I367 PolarHBondContact O-N 3.34Å; A364-I367 PolarHBondContact O-N 3.4Å; I367-A369 VanDerWaalsContact C-N 3.31Å; I367-A369 PolarHBondContact O-N 3.23Å; I367-S370 PolarHBondContact O-N 2.95Å; I367-S370 PolarHBondContact O-OG 2.6Å; I367-A371 PolarHBondContact O-N 3.24Å; I367-I409 HydrophobicContact CD1-CG2 4.23Å; I367-I409 HydrophobicContact CG1-CG2 4.23Å; I367-I409 HydrophobicContact CG2-CG2 3.77Å; I367-W410 HydrophobicContact CB-CZ2 4.39Å; I367-W410 HydrophobicContact CG2-CD2 4.02Å; I367-W410 HydrophobicContact CG2-CG 4.33Å; I367-W410 HydrophobicContact CG2-CZ2 3.97Å; I367-H413 HydrophobicContact CD1-CB 3.48Å; I367-H413 VanDerWaalsContact CD1-CB 3.48Å; I367-H413 VanDerWaalsContact CD1-CG 3.5Å
368	K	91.1	Very high	87.1	Confident	28 Å²	28	42.3 Å²	42.3	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-53.7	-50.6	174.2	-173.5	170.7	179.8	-78.9	0	110.8	L355 A358 A364 S370 A371 E372 W410	L355-K368 HydrophobicContact CD2-CD 4.28Å; L355-K368 HydrophobicContact CD2-CG 4.4Å; A358-K368 HydrophobicContact CB-CB 4.08Å; A358-K368 HydrophobicContact CB-CD 3.56Å; A358-K368 HydrophobicContact CB-CG 4.48Å; A364-K368 PolarHBondContact O-N 2.78Å; K368-S370 VanDerWaalsContact C-N 3.33Å; K368-S370 PolarHBondContact O-N 3.4Å; K368-A371 PolarHBondContact O-N 2.93Å; K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 IonicContact NZ-OE1 2.74Å; K368-E372 PolarHBondContact NZ-OE1 2.72Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.31Å; K368-E372 PolarHBondContact O-N 3.06Å; K368-W410 HydrophobicContact CB-CH2 4.26Å; K368-W410 HydrophobicContact CB-CZ2 3.82Å
369	A	88.5	Confident	87.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-42.5	-178.4	0	0	0	0	0	112.9	A52 S365 S366 I367 E372 L373	A52-A369 HydrophobicContact CB-CB 3.92Å; S365-A369 VanDerWaalsContact O-CB 3.28Å; S365-A369 WeakPolarHBondContact O-CB 3.25Å; S365-A369 PolarHBondContact O-N 2.67Å; S366-A369 PolarHBondContact O-N 3.26Å; I367-A369 VanDerWaalsContact C-N 3.31Å; I367-A369 PolarHBondContact O-N 3.23Å; A369-E372 PolarHBondContact O-N 3.17Å; A369-L373 WeakPolarHBondContact O-CG 3.25Å; A369-L373 PolarHBondContact O-N 3.19Å
370	S	87.7	Confident	87.3	Confident	60 Å²	60	35.9 Å²	35.9	42%	0.42	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-39.5	176.5	70.4	0	0	0	0	113.1	S366 I367 K368 L373 T374	S366-S370 WeakPolarHBondContact O-CB 3.46Å; S366-S370 PolarHBondContact O-N 3.1Å; S366-S370 PolarHBondContact O-OG 3.47Å; I367-S370 PolarHBondContact O-N 2.95Å; I367-S370 PolarHBondContact O-OG 2.6Å; K368-S370 VanDerWaalsContact C-N 3.33Å; K368-S370 PolarHBondContact O-N 3.4Å; S370-L373 WeakPolarHBondContact O-CB 3.49Å; S370-L373 PolarHBondContact O-N 3.23Å; S370-T374 PolarHBondContact O-N 3.37Å
371	A	87.3	Confident	87.1	Confident	3 Å²	3	31.4 Å²	31.4	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-41.6	176.5	0	0	0	0	0	111.5	I367 K368 L373 T374 G375 L380 H406	I367-A371 PolarHBondContact O-N 3.24Å; K368-A371 PolarHBondContact O-N 2.93Å; A371-L373 PolarHBondContact O-N 3.3Å; A371-T374 PolarHBondContact O-N 3.4Å; A371-T374 PolarHBondContact O-OG1 3.02Å; A371-G375 PolarHBondContact O-N 3.05Å; A371-L380 HydrophobicContact CB-CD1 3.71Å; A371-L380 HydrophobicContact CB-CD2 4.07Å; A371-H406 VanDerWaalsContact CB-CE1 3.48Å; A371-H406 WeakPolarHBondContact CB-CE1 3.48Å; A371-H406 WeakPolarHBondContact CB-ND1 3.25Å
372	E	86	Confident	86.9	Confident	3 Å²	3	32.5 Å²	32.5	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-22.4	176.5	-64.6	177.8	168.9	0	0	113.3	M48 S49 A52 K368 A369 T374 G375 S377 L380	M48-E372 VanDerWaalsContact CE-C 3.5Å; M48-E372 HydrophobicContact CE-CB 4.04Å; M48-E372 VanDerWaalsContact CE-O 3.27Å; M48-E372 WeakPolarHBondContact CE-O 3.43Å; M48-E372 HydrophobicContact CG-CB 4.36Å; S49-E372 VanDerWaalsContact CB-OE2 3.25Å; S49-E372 WeakPolarHBondContact CB-OE2 3.49Å; S49-E372 PolarHBondContact N-OE2 3.38Å; S49-E372 PolarHBondContact OG-OE2 3.25Å; A52-E372 HydrophobicContact CB-CB 4.17Å; A52-E372 VanDerWaalsContact CB-OE2 3.25Å; A52-E372 WeakPolarHBondContact CB-OE2 3.4Å; K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 IonicContact NZ-OE1 2.74Å; K368-E372 PolarHBondContact NZ-OE1 2.72Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.31Å; K368-E372 PolarHBondContact O-N 3.06Å; A369-E372 PolarHBondContact O-N 3.17Å; E372-T374 VanDerWaalsContact C-N 3.33Å; E372-G375 CarbonylContact C-O 3.59Å; E372-G375 VanDerWaalsContact O-O 3.06Å; E372-S377 VanDerWaalsContact CG-OG 3.29Å; E372-S377 WeakPolarHBondContact CG-OG 2.86Å; E372-L380 HydrophobicContact CG-CD1 4.21Å
373	L	80.6	Confident	86.9	Confident	54 Å²	54	28.4 Å²	28.4	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-74	-25.5	171.9	-68.1	167.7	0	0	0	113.1	M48 H55 L56 A369 S370 A371	M48-L373 HydrophobicContact CE-CB 4.37Å; M48-L373 HydrophobicContact CE-CD2 3.35Å; M48-L373 HydrophobicContact CE-CG 3.76Å; H55-L373 HydrophobicContact CB-CD1 4.28Å; L56-L373 HydrophobicContact CD1-CD2 3.82Å; L56-L373 HydrophobicContact CD2-CD2 3.26Å; L56-L373 HydrophobicContact CG-CD2 3.41Å; L56-L373 VanDerWaalsContact CG-CD2 3.41Å; A369-L373 WeakPolarHBondContact O-CG 3.25Å; A369-L373 PolarHBondContact O-N 3.19Å; S370-L373 WeakPolarHBondContact O-CB 3.49Å; S370-L373 PolarHBondContact O-N 3.23Å; A371-L373 PolarHBondContact O-N 3.3Å
374	T	79	Confident	86.9	Confident	107 Å²	107	26 Å²	26	66%	0.656	16%	0.157	S	C	*	.	H	α-helix	trans	-94.8	-17.5	-178.4	58.7	0	0	0	0	114	S370 A371 E372	S370-T374 PolarHBondContact O-N 3.37Å; A371-T374 PolarHBondContact O-N 3.4Å; A371-T374 PolarHBondContact O-OG1 3.02Å; E372-T374 VanDerWaalsContact C-N 3.33Å
375	G	77.2	Confident	86.9	Confident	17 Å²	17	27.7 Å²	27.7	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-171.3	175.7	-178.8	0	0	0	0	0	114	A371 E372 S377	A371-G375 PolarHBondContact O-N 3.05Å; E372-G375 CarbonylContact C-O 3.59Å; E372-G375 VanDerWaalsContact O-O 3.06Å; G375-S377 PolarHBondContact O-N 3.36Å
376	P	80.8	Confident	87	Confident	15 Å²	15	26.4 Å²	26.4	10%	0.097	15%	0.154	C	C	.	.			trans	-60	125.7	-179.3	-9.9	13.4	0	0	0	112.8	F44 Y378 L379 R387	F44-P376 HydrophobicContact CD1-CB 4.25Å; F44-P376 HydrophobicContact CD1-CG 4.21Å; F44-P376 HydrophobicContact CE1-CB 4.15Å; F44-P376 HydrophobicContact CE1-CG 3.65Å; F44-P376 HydrophobicContact CZ-CG 4.35Å; P376-Y378 HydrophobicContact CB-CD1 3.48Å; P376-Y378 VanDerWaalsContact CB-CD1 3.48Å; P376-Y378 HydrophobicContact CB-CE1 3.3Å; P376-Y378 HydrophobicContact CG-CE1 3.96Å; P376-Y378 PolarHBondContact O-N 3.47Å; P376-Y378 VanDerWaalsContact O-N 3.13Å; P376-L379 HydrophobicContact CB-CD1 4.25Å; P376-L379 HydrophobicContact CB-CG 4.34Å; P376-L379 HydrophobicContact CG-CD1 3.81Å; P376-L379 HydrophobicContact CG-CG 4.39Å; P376-L379 WeakPolarHBondContact O-CB 3.49Å; P376-L379 PolarHBondContact O-N 3.2Å; P376-L379 VanDerWaalsContact O-N 3.1Å; P376-R387 VanDerWaalsContact CG-NH2 3.34Å
377	S	83.2	Confident	87.1	Confident	15 Å²	15	24.2 Å²	24.2	11%	0.105	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.7	-177	-41.6	0	0	0	0	114	H47 E372 G375 L379 L380	H47-S377 VanDerWaalsContact O-CB 3.23Å; H47-S377 WeakPolarHBondContact O-CB 3.35Å; H47-S377 PolarHBondContact O-OG 2.86Å; E372-S377 VanDerWaalsContact CG-OG 3.29Å; E372-S377 WeakPolarHBondContact CG-OG 2.86Å; G375-S377 PolarHBondContact O-N 3.36Å; S377-L379 PolarHBondContact O-N 3.27Å; S377-L379 VanDerWaalsContact O-N 3.14Å; S377-L380 WeakPolarHBondContact O-CB 3.41Å; S377-L380 PolarHBondContact O-N 3.47Å
378	Y	85.7	Confident	87	Confident	9 Å²	9	22.9 Å²	22.9	4%	0.035	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-64.2	-21.4	-176.4	81.6	-91.5	0	0	0	113.1	F181 I327 R348 P376 L380 N382 Y385 R387 D390	F181-Y378 HydrophobicContact CZ-CD1 4.48Å; F181-Y378 HydrophobicContact CZ-CG 4.07Å; I327-Y378 HydrophobicContact CD1-CD1 3.29Å; I327-Y378 HydrophobicContact CD1-CD2 4.02Å; I327-Y378 HydrophobicContact CD1-CE1 3.46Å; I327-Y378 VanDerWaalsContact CD1-CE1 3.46Å; I327-Y378 HydrophobicContact CD1-CE2 4.2Å; I327-Y378 HydrophobicContact CD1-CG 3.6Å; I327-Y378 HydrophobicContact CG1-CD1 4.33Å; I327-Y378 HydrophobicContact CG1-CE1 4.07Å; I327-Y378 HydrophobicContact CG1-CE2 4.39Å; I327-Y378 HydrophobicContact CG2-CD2 4.42Å; I327-Y378 HydrophobicContact CG2-CE2 4.49Å; R348-Y378 PolarHBondContact NH2-O 3.44Å; P376-Y378 HydrophobicContact CB-CD1 3.48Å; P376-Y378 VanDerWaalsContact CB-CD1 3.48Å; P376-Y378 HydrophobicContact CB-CE1 3.3Å; P376-Y378 HydrophobicContact CG-CE1 3.96Å; P376-Y378 PolarHBondContact O-N 3.47Å; P376-Y378 VanDerWaalsContact O-N 3.13Å; Y378-L380 PolarHBondContact O-N 3.36Å; Y378-N382 WeakPolarHBondContact O-CB 3.41Å; Y378-N382 PolarHBondContact O-N 3Å; Y378-N382 PolarHBondContact O-ND2 3.46Å; Y378-Y385 WeakPolarHBondContact CE2-O 3.26Å; Y378-R387 HydrophobicContact CE1-CG 4.41Å; Y378-R387 PolarHBondContact OH-N 3.43Å; Y378-R387 PolarHBondContact OH-NE 3.26Å; Y378-R387 VanDerWaalsContact OH-NE 3.17Å; Y378-D390 PolarHBondContact OH-OD2 3.02Å
379	L	90.2	Very high	87	Confident	13 Å²	13	22.4 Å²	22.4	7%	0.068	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-65.6	-22.2	176.3	-69	174.7	0	0	0	112.4	R348 P376 S377 G381 D390 L399 L403	R348-L379 WeakPolarHBondContact CG-O 3.42Å; R348-L379 PolarHBondContact NE-O 3.36Å; P376-L379 HydrophobicContact CB-CD1 4.25Å; P376-L379 HydrophobicContact CB-CG 4.34Å; P376-L379 HydrophobicContact CG-CD1 3.81Å; P376-L379 HydrophobicContact CG-CG 4.39Å; P376-L379 WeakPolarHBondContact O-CB 3.49Å; P376-L379 PolarHBondContact O-N 3.2Å; P376-L379 VanDerWaalsContact O-N 3.1Å; S377-L379 PolarHBondContact O-N 3.27Å; S377-L379 VanDerWaalsContact O-N 3.14Å; L379-G381 PolarHBondContact O-N 2.97Å; L379-D390 HydrophobicContact CD2-CB 4.27Å; L379-L399 HydrophobicContact CD1-CD1 4.05Å; L379-L399 HydrophobicContact CD2-CD2 4.3Å; L379-L403 HydrophobicContact CB-CD2 4.14Å
380	L	87.4	Confident	87.3	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-79.2	-9	-175.9	-58	175.6	0	0	0	115	L351 L355 A371 E372 S377 Y378 H406	L351-L380 WeakPolarHBondContact CB-O 3.32Å; L355-L380 HydrophobicContact CD1-CB 3.98Å; L355-L380 WeakPolarHBondContact CD1-O 3.44Å; L355-L380 HydrophobicContact CD2-CB 4.05Å; A371-L380 HydrophobicContact CB-CD1 3.71Å; A371-L380 HydrophobicContact CB-CD2 4.07Å; E372-L380 HydrophobicContact CG-CD1 4.21Å; S377-L380 WeakPolarHBondContact O-CB 3.41Å; S377-L380 PolarHBondContact O-N 3.47Å; Y378-L380 PolarHBondContact O-N 3.36Å; L380-H406 HydrophobicContact CD2-CB 4.31Å
381	G	82.6	Confident	87.6	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-166.7	12.7	-174.8	0	0	0	0	0	117.9	Q352 L379 P383	Q352-G381 WeakPolarHBondContact CG-O 3.46Å; Q352-G381 PolarHBondContact NE2-O 2.95Å; L379-G381 PolarHBondContact O-N 2.97Å; G381-P383 WeakPolarHBondContact O-CD 3.27Å
382	N	88.1	Confident	87.9	Confident	25 Å²	25	20.5 Å²	20.5	13%	0.134	12%	0.115	C	C	.	.			trans	-122.8	69.8	-178	-63.9	-72.7	0	0	0	110.8	R348 Y378 E384 Y385	R348-N382 PolarHBondContact NH1-O 2.74Å; R348-N382 PolarHBondContact NH2-O 3.1Å; Y378-N382 WeakPolarHBondContact O-CB 3.41Å; Y378-N382 PolarHBondContact O-N 3Å; Y378-N382 PolarHBondContact O-ND2 3.46Å; N382-E384 PolarHBondContact O-N 3.18Å; N382-Y385 HydrophobicContact CB-CD2 3.96Å; N382-Y385 HydrophobicContact CB-CG 4.43Å; N382-Y385 PolarHBondContact O-N 3.33Å
383	P	91.7	Very high	88.3	Confident	10 Å²	10	21.7 Å²	21.7	7%	0.065	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.4	-167.1	23.4	-34.5	0	0	0	114.3	Y345 R348 G381 F386	Y345-P383 HydrophobicContact CD2-CB 3.79Å; Y345-P383 HydrophobicContact CE2-CB 3.84Å; Y345-P383 HydrophobicContact CE2-CG 4.39Å; R348-P383 HydrophobicContact CB-CB 3.88Å; G381-P383 WeakPolarHBondContact O-CD 3.27Å; P383-F386 WeakPolarHBondContact O-CE2 3.34Å
384	E	91.6	Very high	89	Confident	66 Å²	66	19.1 Å²	19.1	31%	0.308	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	178.4	-55.1	-171.6	128.7	0	0	114.4	K329 V330 N382	K329-E384 WeakPolarHBondContact CA-O 3.22Å; K329-E384 VanDerWaalsContact CE-OE2 3.23Å; K329-E384 WeakPolarHBondContact CE-OE2 3.3Å; K329-E384 HydrophobicContact CG-CB 4.4Å; K329-E384 IonicContact NZ-OE1 2.67Å; K329-E384 IonicContact NZ-OE2 2.61Å; K329-E384 PolarHBondContact NZ-OE2 3.14Å; V330-E384 WeakPolarHBondContact CG2-O 3.09Å; V330-E384 PolarHBondContact N-O 2.81Å; N382-E384 PolarHBondContact O-N 3.18Å
385	Y	92.7	Very high	89.7	Confident	36 Å²	36	14.5 Å²	14.5	14%	0.141	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.9	-170.6	-69.8	-86.6	0	0	0	111.6	I327 L328 K329 R348 Y378 N382	I327-Y385 HydrophobicContact CG2-CD1 4.11Å; I327-Y385 HydrophobicContact CG2-CG 4.35Å; L328-Y385 WeakPolarHBondContact O-CA 3.26Å; K329-Y385 HydrophobicContact CB-CD1 4.23Å; K329-Y385 HydrophobicContact CB-CE1 3.94Å; R348-Y385 PolarHBondContact NH1-O 3.17Å; R348-Y385 PolarHBondContact NH2-O 3.15Å; Y378-Y385 WeakPolarHBondContact CE2-O 3.26Å; N382-Y385 HydrophobicContact CB-CD2 3.96Å; N382-Y385 HydrophobicContact CB-CG 4.43Å; N382-Y385 PolarHBondContact O-N 3.33Å
386	F	93	Very high	90.6	Very high	4 Å²	4	18 Å²	18	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.5	-178.9	-69.9	-99.6	0	0	0	111.6	L328 V330 W334 V344 P383 D390 V391 A394 L399	L328-F386 PolarHBondContact N-O 2.73Å; L328-F386 PolarHBondContact O-N 3.26Å; V330-F386 HydrophobicContact CB-CD2 4.45Å; V330-F386 HydrophobicContact CG1-CB 3.9Å; V330-F386 HydrophobicContact CG1-CD2 3.57Å; V330-F386 HydrophobicContact CG1-CE2 4.46Å; V330-F386 HydrophobicContact CG1-CG 4.09Å; V330-F386 HydrophobicContact CG2-CD2 4.01Å; V330-F386 HydrophobicContact CG2-CE2 4.19Å; W334-F386 HydrophobicContact CH2-CZ 4.4Å; W334-F386 HydrophobicContact CZ3-CD2 4.06Å; W334-F386 HydrophobicContact CZ3-CE1 4.44Å; W334-F386 AromaticContact CZ3-CE2 3.72Å; W334-F386 HydrophobicContact CZ3-CE2 3.72Å; W334-F386 AromaticContact CZ3-CZ 3.92Å; W334-F386 HydrophobicContact CZ3-CZ 3.92Å; V344-F386 HydrophobicContact CG1-CE1 3.95Å; V344-F386 HydrophobicContact CG1-CZ 3.82Å; P383-F386 WeakPolarHBondContact O-CE2 3.34Å; F386-D390 HydrophobicContact CD1-CB 4.07Å; F386-V391 HydrophobicContact CB-CG2 3.65Å; F386-V391 HydrophobicContact CD1-CG2 4.43Å; F386-V391 HydrophobicContact CG-CG2 4.18Å; F386-A394 HydrophobicContact CE1-CB 4.31Å; F386-L399 HydrophobicContact CE1-CD2 4.1Å
387	R	91.9	Very high	91.2	Very high	9 Å²	9	18.3 Å²	18.3	3%	0.034	10%	0.099	C	C	.	.			trans	-85	158.6	154.6	-46.7	168.4	-70.6	167.6	4.8	108.4	I179 D324 L326 I327 P376 Y378 C389 D390 V391	I179-R387 HydrophobicContact CG2-CG 4.42Å; D324-R387 WeakPolarHBondContact O-CD 3.47Å; D324-R387 PolarHBondContact O-NH1 3.12Å; L326-R387 WeakPolarHBondContact O-CA 3.42Å; L326-R387 WeakPolarHBondContact O-CB 3.27Å; L326-R387 WeakPolarHBondContact O-CG 3.39Å; I327-R387 HydrophobicContact CB-CG 4.42Å; I327-R387 HydrophobicContact CD1-CG 4.3Å; I327-R387 HydrophobicContact CG1-CG 3.35Å; P376-R387 VanDerWaalsContact CG-NH2 3.34Å; Y378-R387 HydrophobicContact CE1-CG 4.41Å; Y378-R387 PolarHBondContact OH-N 3.43Å; Y378-R387 PolarHBondContact OH-NE 3.26Å; Y378-R387 VanDerWaalsContact OH-NE 3.17Å; R387-C389 PolarHBondContact O-N 3.22Å; R387-D390 VanDerWaalsContact CB-OD2 3.28Å; R387-D390 WeakPolarHBondContact CB-OD2 3.48Å; R387-D390 IonicContact CZ-OD1 2.76Å; R387-D390 IonicContact CZ-OD2 3.92Å; R387-D390 VanDerWaalsContact CZ-OD2 3.23Å; R387-D390 IonicContact NE-OD2 3.6Å; R387-D390 PolarHBondContact NE-OD2 3.35Å; R387-D390 VanDerWaalsContact NH2-CG 3.35Å; R387-D390 IonicContact NH2-OD1 3.2Å; R387-D390 PolarHBondContact NH2-OD1 2.89Å; R387-D390 IonicContact NH2-OD2 2.75Å; R387-D390 PolarHBondContact NH2-OD2 3.22Å; R387-D390 PolarHBondContact O-N 3.04Å; R387-V391 PolarHBondContact O-N 3.36Å
388	M	91.9	Very high	91.7	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-29	-179.1	-64.6	-54.9	-54.4	0	0	113.4	P297 I300 F301 W323 L328 V391 L392	P297-M388 HydrophobicContact CB-CE 3.7Å; P297-M388 HydrophobicContact CB-SD 4.1Å; P297-M388 HydrophobicContact CG-CE 3.95Å; P297-M388 HydrophobicContact CG-SD 4.28Å; I300-M388 HydrophobicContact CD1-CE 4.02Å; F301-M388 HydrophobicContact CE2-CE 3.84Å; F301-M388 HydrophobicContact CE2-SD 3.84Å; F301-M388 HydrophobicContact CZ-CE 4.3Å; F301-M388 HydrophobicContact CZ-SD 4.19Å; W323-M388 HydrophobicContact CD2-CB 3.39Å; W323-M388 HydrophobicContact CD2-CG 4.32Å; W323-M388 HydrophobicContact CE3-CB 3.48Å; W323-M388 VanDerWaalsContact CE3-CB 3.48Å; W323-M388 HydrophobicContact CE3-CG 3.91Å; W323-M388 HydrophobicContact CG-CB 3.95Å; W323-M388 HydrophobicContact CH2-CB 3.72Å; W323-M388 HydrophobicContact CH2-CE 3.64Å; W323-M388 HydrophobicContact CH2-CG 4.25Å; W323-M388 HydrophobicContact CZ2-CB 3.68Å; W323-M388 HydrophobicContact CZ2-CE 4.32Å; W323-M388 HydrophobicContact CZ3-CB 3.65Å; W323-M388 HydrophobicContact CZ3-CE 3.99Å; W323-M388 HydrophobicContact CZ3-CG 3.9Å; W323-M388 PolarHBondContact O-N 2.97Å; L328-M388 HydrophobicContact CD1-CG 4.35Å; L328-M388 HydrophobicContact CD1-SD 4.16Å; M388-V391 HydrophobicContact CE-CG1 4.46Å; M388-V391 WeakPolarHBondContact O-CB 3.38Å; M388-V391 PolarHBondContact O-N 3.48Å; M388-V391 HydrophobicContact SD-CG2 4.44Å; M388-L392 PolarHBondContact O-N 3.35Å
389	C	91.1	Very high	92.1	Very high	17 Å²	17	20.3 Å²	20.3	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-38.9	171.3	56.6	0	0	0	0	113	W323 R387 L392 D393	W323-C389 PolarHBondContact O-N 2.96Å; R387-C389 PolarHBondContact O-N 3.22Å; C389-L392 PolarHBondContact O-N 2.91Å; C389-D393 PolarHBondContact O-N 2.91Å
390	D	93.4	Very high	92.3	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-77.4	-25.7	-179.9	-48.3	-89	0	0	0	111.7	Y378 L379 F386 R387 L392 D393 A394 L399	Y378-D390 PolarHBondContact OH-OD2 3.02Å; L379-D390 HydrophobicContact CD2-CB 4.27Å; F386-D390 HydrophobicContact CD1-CB 4.07Å; R387-D390 VanDerWaalsContact CB-OD2 3.28Å; R387-D390 WeakPolarHBondContact CB-OD2 3.48Å; R387-D390 IonicContact CZ-OD1 2.76Å; R387-D390 IonicContact CZ-OD2 3.92Å; R387-D390 VanDerWaalsContact CZ-OD2 3.23Å; R387-D390 IonicContact NE-OD2 3.6Å; R387-D390 PolarHBondContact NE-OD2 3.35Å; R387-D390 VanDerWaalsContact NH2-CG 3.35Å; R387-D390 IonicContact NH2-OD1 3.2Å; R387-D390 PolarHBondContact NH2-OD1 2.89Å; R387-D390 IonicContact NH2-OD2 2.75Å; R387-D390 PolarHBondContact NH2-OD2 3.22Å; R387-D390 PolarHBondContact O-N 3.04Å; D390-L392 VanDerWaalsContact C-N 3.34Å; D390-D393 PolarHBondContact O-N 3.41Å; D390-A394 VanDerWaalsContact O-CB 3.31Å; D390-A394 WeakPolarHBondContact O-CB 3.28Å; D390-A394 PolarHBondContact O-N 2.98Å; D390-L399 HydrophobicContact CB-CD2 4.4Å
391	V	94.6	Very high	92.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-48	165.6	172.7	0	0	0	0	110	I300 F301 V330 W334 F386 R387 M388 A394 L395	I300-V391 HydrophobicContact CG2-CG1 3.8Å; F301-V391 HydrophobicContact CE1-CG1 4.26Å; F301-V391 HydrophobicContact CE1-CG2 4.31Å; F301-V391 HydrophobicContact CZ-CG1 4.19Å; F301-V391 HydrophobicContact CZ-CG2 3.85Å; V330-V391 HydrophobicContact CG1-CG2 4.39Å; W334-V391 HydrophobicContact CH2-CB 4.36Å; W334-V391 HydrophobicContact CH2-CG1 4Å; W334-V391 HydrophobicContact CH2-CG2 4.23Å; W334-V391 HydrophobicContact CZ2-CB 4.5Å; W334-V391 HydrophobicContact CZ2-CG1 3.66Å; F386-V391 HydrophobicContact CB-CG2 3.65Å; F386-V391 HydrophobicContact CD1-CG2 4.43Å; F386-V391 HydrophobicContact CG-CG2 4.18Å; R387-V391 PolarHBondContact O-N 3.36Å; M388-V391 HydrophobicContact CE-CG1 4.46Å; M388-V391 WeakPolarHBondContact O-CB 3.38Å; M388-V391 PolarHBondContact O-N 3.48Å; M388-V391 HydrophobicContact SD-CG2 4.44Å; V391-A394 WeakPolarHBondContact O-CB 3.46Å; V391-A394 PolarHBondContact O-N 2.96Å; V391-L395 HydrophobicContact CG1-CD1 3.86Å; V391-L395 HydrophobicContact CG1-CG 4.46Å; V391-L395 VanDerWaalsContact O-CG 3.23Å; V391-L395 WeakPolarHBondContact O-CG 3.46Å; V391-L395 PolarHBondContact O-N 2.99Å
392	L	94.3	Very high	93.3	Very high	16 Å²	16	31 Å²	31	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.5	-67.4	-177.5	0	0	0	112.2	Y295 I300 K306 W323 M388 C389 D390 A394 L395 N396	Y295-L392 HydrophobicContact CD1-CD1 4.28Å; Y295-L392 HydrophobicContact CD1-CD2 4.16Å; Y295-L392 HydrophobicContact CD2-CD1 3.94Å; Y295-L392 HydrophobicContact CE1-CD1 3.99Å; Y295-L392 HydrophobicContact CE1-CD2 4.12Å; Y295-L392 HydrophobicContact CE2-CD1 3.65Å; Y295-L392 HydrophobicContact CG-CD1 4.26Å; I300-L392 HydrophobicContact CD1-CD2 4.05Å; K306-L392 HydrophobicContact CD-CD2 4.36Å; K306-L392 HydrophobicContact CG-CD2 4.37Å; W323-L392 HydrophobicContact CZ2-CD1 3.66Å; W323-L392 HydrophobicContact CZ2-CD2 4.43Å; W323-L392 HydrophobicContact CZ2-CG 3.9Å; M388-L392 PolarHBondContact O-N 3.35Å; C389-L392 PolarHBondContact O-N 2.91Å; D390-L392 VanDerWaalsContact C-N 3.34Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.3Å; L392-L395 PolarHBondContact O-N 3.15Å; L392-N396 VanDerWaalsContact O-CB 3.23Å; L392-N396 WeakPolarHBondContact O-CB 3.42Å; L392-N396 PolarHBondContact O-N 2.85Å; L392-N396 PolarHBondContact O-ND2 3.31Å
393	D	93.9	Very high	93.6	Very high	28 Å²	28	30 Å²	30	15%	0.15	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-35.1	177.3	-77.7	-23.1	0	0	0	112.2	C389 D390 G397 T398 L399	C389-D393 PolarHBondContact O-N 2.91Å; D390-D393 PolarHBondContact O-N 3.41Å; D393-G397 PolarHBondContact O-N 2.77Å; D393-T398 VanDerWaalsContact CA-OG1 3.24Å; D393-T398 WeakPolarHBondContact CA-OG1 3.37Å; D393-T398 VanDerWaalsContact CB-OG1 3.27Å; D393-T398 WeakPolarHBondContact CB-OG1 3.44Å; D393-T398 PolarHBondContact O-N 3.09Å; D393-T398 PolarHBondContact O-OG1 2.89Å; D393-T398 VanDerWaalsContact O-OG1 3.08Å; D393-T398 PolarHBondContact OD1-OG1 3.08Å; D393-T398 VanDerWaalsContact OD1-OG1 3.09Å; D393-L399 HydrophobicContact CB-CB 3.97Å; D393-L399 PolarHBondContact O-N 3.47Å; D393-L399 VanDerWaalsContact O-N 3.08Å
394	A	94.9	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-53.8	171.1	0	0	0	0	0	110.6	W334 E340 V344 F386 D390 V391 L392 N396 G397 L399	W334-A394 HydrophobicContact CH2-CB 4.27Å; E340-A394 VanDerWaalsContact CB-O 3.29Å; E340-A394 WeakPolarHBondContact CB-O 3.39Å; V344-A394 HydrophobicContact CB-CB 4.49Å; V344-A394 HydrophobicContact CG2-CB 4Å; F386-A394 HydrophobicContact CE1-CB 4.31Å; D390-A394 VanDerWaalsContact O-CB 3.31Å; D390-A394 WeakPolarHBondContact O-CB 3.28Å; D390-A394 PolarHBondContact O-N 2.98Å; V391-A394 WeakPolarHBondContact O-CB 3.46Å; V391-A394 PolarHBondContact O-N 2.96Å; L392-A394 VanDerWaalsContact C-N 3.31Å; L392-A394 PolarHBondContact O-N 3.3Å; A394-N396 PolarHBondContact O-N 3.19Å; A394-G397 PolarHBondContact O-N 2.85Å; A394-L399 HydrophobicContact CB-CD2 4.15Å
395	L	94.7	Very high	94	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-17.7	-177.5	-62.7	171.3	0	0	0	114.3	I300 K306 W334 N338 V391 L392	I300-L395 HydrophobicContact CG2-CD1 3.52Å; K306-L395 HydrophobicContact CD-CB 3.67Å; K306-L395 HydrophobicContact CD-CD1 3.83Å; K306-L395 HydrophobicContact CD-CG 4.38Å; K306-L395 HydrophobicContact CG-CD1 4.04Å; K306-L395 PolarHBondContact NZ-O 3.01Å; W334-L395 HydrophobicContact CZ2-CD1 4.19Å; W334-L395 HydrophobicContact CZ2-CD2 3.76Å; W334-L395 HydrophobicContact CZ2-CG 3.87Å; N338-L395 HydrophobicContact CB-CD2 4.19Å; N338-L395 WeakPolarHBondContact ND2-CD2 3.41Å; V391-L395 HydrophobicContact CG1-CD1 3.86Å; V391-L395 HydrophobicContact CG1-CG 4.46Å; V391-L395 VanDerWaalsContact O-CG 3.23Å; V391-L395 WeakPolarHBondContact O-CG 3.46Å; V391-L395 PolarHBondContact O-N 2.99Å; L392-L395 PolarHBondContact O-N 3.15Å
396	N	94.1	Very high	94	Very high	92 Å²	92	36.2 Å²	36.2	49%	0.492	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.5	174.4	-67.4	-22.2	0	0	0	112.2	K306 L392 A394 T398	K306-N396 PolarHBondContact NZ-OD1 3.24Å; L392-N396 VanDerWaalsContact O-CB 3.23Å; L392-N396 WeakPolarHBondContact O-CB 3.42Å; L392-N396 PolarHBondContact O-N 2.85Å; L392-N396 PolarHBondContact O-ND2 3.31Å; A394-N396 PolarHBondContact O-N 3.19Å; N396-T398 HydrophobicContact CB-CG2 4.34Å; N396-T398 PolarHBondContact O-N 3.44Å
397	G	94	Very high	94.1	Very high	20 Å²	20	36.7 Å²	36.7	21%	0.206	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	10.7	179.9	0	0	0	0	0	114.5	D393 A394 P401	D393-G397 PolarHBondContact O-N 2.77Å; A394-G397 PolarHBondContact O-N 2.85Å; G397-P401 WeakPolarHBondContact O-CD 3.45Å
398	T	93.4	Very high	94.4	Very high	62 Å²	62	41.2 Å²	41.2	38%	0.38	21%	0.209	S	C	.	.	S	Bend	trans	-86	-22.3	-178.8	59.2	0	0	0	0	112.6	D393 N396	D393-T398 VanDerWaalsContact CA-OG1 3.24Å; D393-T398 WeakPolarHBondContact CA-OG1 3.37Å; D393-T398 VanDerWaalsContact CB-OG1 3.27Å; D393-T398 WeakPolarHBondContact CB-OG1 3.44Å; D393-T398 PolarHBondContact O-N 3.09Å; D393-T398 PolarHBondContact O-OG1 2.89Å; D393-T398 VanDerWaalsContact O-OG1 3.08Å; D393-T398 PolarHBondContact OD1-OG1 3.08Å; D393-T398 VanDerWaalsContact OD1-OG1 3.09Å; N396-T398 HydrophobicContact CB-CG2 4.34Å; N396-T398 PolarHBondContact O-N 3.44Å
399	L	94	Very high	94.5	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-81	-42.2	179	-176.8	56.9	0	0	0	112.7	V344 L379 F386 D390 D393 A394 K402 L403	V344-L399 HydrophobicContact CG1-CD2 4Å; V344-L399 HydrophobicContact CG2-CB 4.43Å; V344-L399 HydrophobicContact CG2-CD2 4.46Å; V344-L399 HydrophobicContact CG2-CG 4.45Å; L379-L399 HydrophobicContact CD1-CD1 4.05Å; L379-L399 HydrophobicContact CD2-CD2 4.3Å; F386-L399 HydrophobicContact CE1-CD2 4.1Å; D390-L399 HydrophobicContact CB-CD2 4.4Å; D393-L399 HydrophobicContact CB-CB 3.97Å; D393-L399 PolarHBondContact O-N 3.47Å; D393-L399 VanDerWaalsContact O-N 3.08Å; A394-L399 HydrophobicContact CB-CD2 4.15Å; L399-K402 PolarHBondContact O-N 3.23Å; L399-L403 HydrophobicContact CD1-CD1 4.05Å; L399-L403 HydrophobicContact CD1-CD2 4.49Å; L399-L403 HydrophobicContact CD1-CG 4.04Å; L399-L403 HydrophobicContact CD2-CD1 4.2Å; L399-L403 HydrophobicContact CG-CD1 3.72Å; L399-L403 HydrophobicContact CG-CG 4.17Å; L399-L403 PolarHBondContact O-N 3.49Å
400	Y	96.1	Very high	94.7	Very high	53 Å²	53	43.1 Å²	43.1	21%	0.208	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-48	-174.5	168.3	-106.9	0	0	0	113.9	K343 V347 K402 L403 K404	K343-Y400 HydrophobicContact CB-CD2 3.66Å; K343-Y400 HydrophobicContact CB-CE2 3.79Å; K343-Y400 HydrophobicContact CB-CG 4.12Å; K343-Y400 HydrophobicContact CD-CD1 4.49Å; K343-Y400 HydrophobicContact CD-CE1 4.44Å; K343-Y400 HydrophobicContact CG-CE2 4.48Å; V347-Y400 HydrophobicContact CG2-CD2 3.9Å; V347-Y400 HydrophobicContact CG2-CE2 3.45Å; V347-Y400 VanDerWaalsContact CG2-CE2 3.45Å; Y400-K402 VanDerWaalsContact C-N 3.28Å; Y400-K402 PolarHBondContact O-N 3.28Å; Y400-L403 PolarHBondContact O-N 2.77Å; Y400-K404 HydrophobicContact CE1-CD 4.12Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 3.37Å
401	P	95.9	Very high	94.7	Very high	73 Å²	73	47 Å²	47	47%	0.474	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-38.2	179.5	-25.5	35.1	0	0	0	113.3	G397 K404 E405	G397-P401 WeakPolarHBondContact O-CD 3.45Å; P401-K404 PolarHBondContact O-N 2.85Å; P401-E405 PolarHBondContact O-N 2.88Å; P401-E405 VanDerWaalsContact O-N 3.08Å
402	K	93.1	Very high	94.7	Very high	116 Å²	116	51.5 Å²	51.5	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-46	178.5	-60.2	177.1	-176.3	173.9	0	111.1	L399 Y400 E405 H406	L399-K402 PolarHBondContact O-N 3.23Å; Y400-K402 VanDerWaalsContact C-N 3.28Å; Y400-K402 PolarHBondContact O-N 3.28Å; K402-E405 PolarHBondContact O-N 3.23Å; K402-H406 PolarHBondContact O-CD2 3.41Å; K402-H406 PolarHBondContact O-N 3.32Å
403	L	95.3	Very high	94.7	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-37.1	178.7	-64.5	176.2	0	0	0	112.1	V344 V347 R348 L379 L399 Y400 E405 H406 L407	V344-L403 HydrophobicContact CG1-CD1 3.87Å; V347-L403 HydrophobicContact CG1-CB 3.65Å; R348-L403 HydrophobicContact CG-CD1 3.7Å; L379-L403 HydrophobicContact CB-CD2 4.14Å; L399-L403 HydrophobicContact CD1-CD1 4.05Å; L399-L403 HydrophobicContact CD1-CD2 4.49Å; L399-L403 HydrophobicContact CD1-CG 4.04Å; L399-L403 HydrophobicContact CD2-CD1 4.2Å; L399-L403 HydrophobicContact CG-CD1 3.72Å; L399-L403 HydrophobicContact CG-CG 4.17Å; L399-L403 PolarHBondContact O-N 3.49Å; Y400-L403 PolarHBondContact O-N 2.77Å; L403-E405 VanDerWaalsContact C-N 3.31Å; L403-E405 PolarHBondContact O-N 3.23Å; L403-H406 PolarHBondContact O-N 3.05Å; L403-L407 PolarHBondContact O-N 2.78Å
404	K	96	Very high	94.6	Very high	108 Å²	108	53.8 Å²	53.8	47%	0.47	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-38.9	176.5	-171.5	177.4	-174.5	171.1	0	111.7	Y400 P401 L407 K408	Y400-K404 HydrophobicContact CE1-CD 4.12Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 3.37Å; P401-K404 PolarHBondContact O-N 2.85Å; K404-L407 PolarHBondContact O-N 3.11Å; K404-K408 PolarHBondContact O-N 3.38Å
405	E	95.4	Very high	94.4	Very high	98 Å²	98	57.4 Å²	57.4	46%	0.458	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-44.9	174.9	-176	58.5	-161.2	0	0	111.4	P401 K402 L403 L407 K408 I409	P401-E405 PolarHBondContact O-N 2.88Å; P401-E405 VanDerWaalsContact O-N 3.08Å; K402-E405 PolarHBondContact O-N 3.23Å; L403-E405 VanDerWaalsContact C-N 3.31Å; L403-E405 PolarHBondContact O-N 3.23Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.45Å; E405-K408 WeakPolarHBondContact O-CB 3.19Å; E405-K408 PolarHBondContact O-N 3.25Å; E405-I409 HydrophobicContact CG-CD1 4.38Å; E405-I409 WeakPolarHBondContact O-CG1 3.2Å; E405-I409 PolarHBondContact O-N 3.14Å; E405-I409 VanDerWaalsContact O-N 3.1Å
406	H	94.1	Very high	94.2	Very high	36 Å²	36	64.5 Å²	64.5	17%	0.167	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-44.9	172.8	-68.9	-55.6	0	0	0	111.8	L351 A371 L380 K402 L403 K408 I409 W410	L351-H406 HydrophobicContact CD2-CB 4.46Å; A371-H406 VanDerWaalsContact CB-CE1 3.48Å; A371-H406 WeakPolarHBondContact CB-CE1 3.48Å; A371-H406 WeakPolarHBondContact CB-ND1 3.25Å; L380-H406 HydrophobicContact CD2-CB 4.31Å; K402-H406 PolarHBondContact O-CD2 3.41Å; K402-H406 PolarHBondContact O-N 3.32Å; L403-H406 PolarHBondContact O-N 3.05Å; H406-K408 VanDerWaalsContact C-N 3.3Å; H406-K408 PolarHBondContact O-N 3.04Å; H406-I409 PolarHBondContact O-N 3.12Å; H406-W410 PolarHBondContact O-N 3.3Å
407	L	94.9	Very high	94.2	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-41.3	178.5	178.4	61.2	0	0	0	111.7	V347 K350 L351 L354 L403 K404 E405 W410 L411	V347-L407 HydrophobicContact CB-CD2 4.49Å; V347-L407 HydrophobicContact CG1-CB 4.1Å; V347-L407 HydrophobicContact CG1-CD2 4.04Å; V347-L407 HydrophobicContact CG2-CD2 4.29Å; K350-L407 HydrophobicContact CB-CD1 3.92Å; K350-L407 HydrophobicContact CB-CD2 3.97Å; K350-L407 HydrophobicContact CD-CD2 4.03Å; L351-L407 HydrophobicContact CD2-CB 3.95Å; L351-L407 HydrophobicContact CD2-CD1 4.02Å; L351-L407 HydrophobicContact CG-CB 4.07Å; L351-L407 HydrophobicContact CG-CD1 4.09Å; L354-L407 HydrophobicContact CD1-CD1 3.63Å; L403-L407 PolarHBondContact O-N 2.78Å; K404-L407 PolarHBondContact O-N 3.11Å; E405-L407 VanDerWaalsContact C-N 3.32Å; E405-L407 PolarHBondContact O-N 3.45Å; L407-W410 PolarHBondContact O-N 3.19Å; L407-L411 HydrophobicContact CD1-CD1 4.03Å; L407-L411 HydrophobicContact CD1-CD2 4.48Å; L407-L411 HydrophobicContact CD1-CG 3.99Å; L407-L411 HydrophobicContact CG-CD1 3.94Å; L407-L411 HydrophobicContact CG-CG 4.31Å; L407-L411 WeakPolarHBondContact O-CB 3.37Å; L407-L411 VanDerWaalsContact O-CG 3.3Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.1Å
408	K	96.9	Very high	93.9	Very high	104 Å²	104	67.5 Å²	67.5	45%	0.452	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-50.4	175.7	-179.5	-174.6	166.7	-165.8	0	111.3	K404 E405 H406 W410 L411 E412	K404-K408 PolarHBondContact O-N 3.38Å; E405-K408 WeakPolarHBondContact O-CB 3.19Å; E405-K408 PolarHBondContact O-N 3.25Å; H406-K408 VanDerWaalsContact C-N 3.3Å; H406-K408 PolarHBondContact O-N 3.04Å; K408-W410 VanDerWaalsContact C-N 3.29Å; K408-W410 PolarHBondContact O-N 3.02Å; K408-L411 PolarHBondContact O-N 3.22Å; K408-E412 WeakPolarHBondContact CE-OE1 3.26Å; K408-E412 HydrophobicContact CG-CG 4.47Å; K408-E412 WeakPolarHBondContact CG-OE1 3.22Å; K408-E412 IonicContact NZ-OE1 2.74Å; K408-E412 WeakPolarHBondContact O-CB 3.27Å; K408-E412 WeakPolarHBondContact O-CG 3.44Å; K408-E412 PolarHBondContact O-N 3.37Å
409	I	95.2	Very high	93.6	Very high	57 Å²	57	68.7 Å²	68.7	29%	0.292	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-43.6	178.1	-64.2	165	0	0	0	111.1	I367 E405 H406 H413	I367-I409 HydrophobicContact CD1-CG2 4.23Å; I367-I409 HydrophobicContact CG1-CG2 4.23Å; I367-I409 HydrophobicContact CG2-CG2 3.77Å; E405-I409 HydrophobicContact CG-CD1 4.38Å; E405-I409 WeakPolarHBondContact O-CG1 3.2Å; E405-I409 PolarHBondContact O-N 3.14Å; E405-I409 VanDerWaalsContact O-N 3.1Å; H406-I409 PolarHBondContact O-N 3.12Å; I409-H413 WeakPolarHBondContact O-CB 3.43Å; I409-H413 PolarHBondContact O-N 3.31Å
410	W	93.8	Very high	93.4	Very high	1 Å²	1	68.4 Å²	68.4	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-41.8	178.6	-84.5	106.2	0	0	0	113.3	L351 L354 L355 A358 A364 I367 K368 H406 L407 K408 H413 K414	L351-W410 HydrophobicContact CD2-CB 4.45Å; L351-W410 HydrophobicContact CD2-CG 4.16Å; L354-W410 HydrophobicContact CB-CB 4.36Å; L354-W410 HydrophobicContact CB-CD2 4.17Å; L354-W410 HydrophobicContact CB-CE3 3.98Å; L354-W410 HydrophobicContact CB-CG 4.36Å; L354-W410 HydrophobicContact CD1-CB 3.64Å; L354-W410 HydrophobicContact CD1-CG 4.38Å; L354-W410 VanDerWaalsContact O-CZ3 3.26Å; L354-W410 WeakPolarHBondContact O-CZ3 3.47Å; L355-W410 HydrophobicContact CD2-CZ2 3.83Å; A358-W410 HydrophobicContact CB-CH2 4.12Å; A364-W410 HydrophobicContact CB-CH2 3.94Å; A364-W410 HydrophobicContact CB-CZ3 3.68Å; A364-W410 VanDerWaalsContact O-CH2 3.27Å; A364-W410 WeakPolarHBondContact O-CH2 3.24Å; I367-W410 HydrophobicContact CB-CZ2 4.39Å; I367-W410 HydrophobicContact CG2-CD2 4.02Å; I367-W410 HydrophobicContact CG2-CG 4.33Å; I367-W410 HydrophobicContact CG2-CZ2 3.97Å; K368-W410 HydrophobicContact CB-CH2 4.26Å; K368-W410 HydrophobicContact CB-CZ2 3.82Å; H406-W410 PolarHBondContact O-N 3.3Å; L407-W410 PolarHBondContact O-N 3.19Å; K408-W410 VanDerWaalsContact C-N 3.29Å; K408-W410 PolarHBondContact O-N 3.02Å; W410-H413 PolarHBondContact O-N 3.37Å; W410-K414 WeakPolarHBondContact O-CB 3.4Å; W410-K414 PolarHBondContact O-N 3.1Å
411	L	94.2	Very high	92.7	Very high	89 Å²	89	68.6 Å²	68.6	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-69.6	-40.9	178.3	-69.5	175.8	0	0	0	111.7	L354 L407 K408 H413 K414 A415	L354-L411 HydrophobicContact CD1-CD2 4.09Å; L354-L411 HydrophobicContact CD1-CG 4.45Å; L407-L411 HydrophobicContact CD1-CD1 4.03Å; L407-L411 HydrophobicContact CD1-CD2 4.48Å; L407-L411 HydrophobicContact CD1-CG 3.99Å; L407-L411 HydrophobicContact CG-CD1 3.94Å; L407-L411 HydrophobicContact CG-CG 4.31Å; L407-L411 WeakPolarHBondContact O-CB 3.37Å; L407-L411 VanDerWaalsContact O-CG 3.3Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.1Å; K408-L411 PolarHBondContact O-N 3.22Å; L411-H413 VanDerWaalsContact C-N 3.34Å; L411-K414 PolarHBondContact O-N 3.24Å; L411-A415 WeakPolarHBondContact O-CB 3.48Å; L411-A415 PolarHBondContact O-N 2.93Å
412	E	95.3	Very high	91.6	Very high	95 Å²	95	70.9 Å²	70.9	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-44.5	173.5	-74.9	174.8	179.3	0	0	110.9	K408 A415 H416	K408-E412 WeakPolarHBondContact CE-OE1 3.26Å; K408-E412 HydrophobicContact CG-CG 4.47Å; K408-E412 WeakPolarHBondContact CG-OE1 3.22Å; K408-E412 IonicContact NZ-OE1 2.74Å; K408-E412 WeakPolarHBondContact O-CB 3.27Å; K408-E412 WeakPolarHBondContact O-CG 3.44Å; K408-E412 PolarHBondContact O-N 3.37Å; E412-A415 PolarHBondContact O-N 3.24Å; E412-H416 PolarHBondContact O-N 2.87Å; E412-H416 PolarHBondContact O-ND1 3.23Å
413	H	94.4	Very high	90.1	Very high	20 Å²	20	66 Å²	66	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-49.2	174.7	173	68.3	0	0	0	112.2	C361 E363 I367 I409 W410 L411 A415 H416 C417 C420	C361-H413 VanDerWaalsContact SG-CE1 3.58Å; E363-H413 IonicContact OE2-CE1 3.29Å; E363-H413 PolarHBondContact OE2-CE1 3.43Å; E363-H413 IonicContact OE2-ND1 2.7Å; I367-H413 HydrophobicContact CD1-CB 3.48Å; I367-H413 VanDerWaalsContact CD1-CB 3.48Å; I367-H413 VanDerWaalsContact CD1-CG 3.5Å; I409-H413 WeakPolarHBondContact O-CB 3.43Å; I409-H413 PolarHBondContact O-N 3.31Å; W410-H413 PolarHBondContact O-N 3.37Å; L411-H413 VanDerWaalsContact C-N 3.34Å; H413-A415 PolarHBondContact O-N 3.36Å; H413-H416 PolarHBondContact O-N 2.77Å; H413-H416 VanDerWaalsContact O-N 3.14Å; H413-C417 WeakPolarHBondContact CE1-CB 3.46Å; H413-C417 PolarHBondContact CE1-SG 3.14Å; H413-C417 WeakPolarHBondContact O-CB 3.49Å; H413-C417 PolarHBondContact O-N 2.88Å; H413-C420 PolarHBondContact NE2-SG 3.49Å
414	K	89.9	Confident	88.2	Confident	72 Å²	72	67 Å²	67	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-35.8	179.4	179.5	176.6	174.3	169.3	0	112.4	L354 Y357 W410 L411	L354-K414 HydrophobicContact CD2-CD 4.09Å; Y357-K414 HydrophobicContact CE2-CD 3.93Å; Y357-K414 HydrophobicContact CE2-CG 4.48Å; Y357-K414 WeakPolarHBondContact OH-CE 3.3Å; Y357-K414 PolarHBondContact OH-NZ 3.34Å; W410-K414 WeakPolarHBondContact O-CB 3.4Å; W410-K414 PolarHBondContact O-N 3.1Å; L411-K414 PolarHBondContact O-N 3.24Å
415	A	91.3	Very high	86	Confident	76 Å²	76	70.9 Å²	70.9	63%	0.628	36%	0.363	S	S	*	.	H	α-helix	trans	-71	-27.9	-179.8	0	0	0	0	0	113.7	L411 E412 H413	L411-A415 WeakPolarHBondContact O-CB 3.48Å; L411-A415 PolarHBondContact O-N 2.93Å; E412-A415 PolarHBondContact O-N 3.24Å; H413-A415 PolarHBondContact O-N 3.36Å
416	H	91.2	Very high	83.9	Confident	159 Å²	159	69.7 Å²	69.7	74%	0.736	37%	0.366	S	S	*	.	H	α-helix	trans	-111.6	-15.7	-173	-61.2	93.3	0	0	0	114.3	E412 H413	E412-H416 PolarHBondContact O-N 2.87Å; E412-H416 PolarHBondContact O-ND1 3.23Å; H413-H416 PolarHBondContact O-N 2.77Å; H413-H416 VanDerWaalsContact O-N 3.14Å
417	C	93.2	Very high	81.9	Confident	10 Å²	10	69.3 Å²	69.3	7%	0.068	37%	0.365	C	S	.	.			trans	-89.6	118.6	-177.9	-179	0	0	0	0	111.2	C361 H413 I419 C420 S421	C361-C417 VanDerWaalsContact SG-SG 3.63Å; H413-C417 WeakPolarHBondContact CE1-CB 3.46Å; H413-C417 PolarHBondContact CE1-SG 3.14Å; H413-C417 WeakPolarHBondContact O-CB 3.49Å; H413-C417 PolarHBondContact O-N 2.88Å; C417-I419 PolarHBondContact O-N 3.43Å; C417-C420 HydrophobicContact CB-CB 4.05Å; C417-C420 PolarHBondContact O-N 3.35Å; C417-C420 VanDerWaalsContact O-N 3.07Å; C417-S421 WeakPolarHBondContact O-CB 3.3Å; C417-S421 PolarHBondContact O-N 3.12Å; C417-S421 PolarHBondContact O-OG 3.49Å
418	E	88.4	Confident	79.8	Confident	165 Å²	165	76.2 Å²	76.2	77%	0.771	40%	0.396	S	S	*	.	H	α-helix	trans	-55.5	-35.2	180	-60.7	177.2	175.2	0	0	112.9	S421	E418-S421 WeakPolarHBondContact CA-OG 3.47Å; E418-S421 PolarHBondContact O-OG 3.37Å; E418-S421 VanDerWaalsContact O-OG 3.13Å
419	I	88	Confident	77.4	Confident	86 Å²	86	76.6 Å²	76.6	44%	0.441	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-43.2	178.9	-55.7	172.2	0	0	0	110.7	C361 C417 S423	C361-I419 HydrophobicContact CB-CB 4.45Å; C361-I419 HydrophobicContact CB-CG2 4.23Å; C417-I419 PolarHBondContact O-N 3.43Å; I419-S423 VanDerWaalsContact O-CB 3.28Å; I419-S423 WeakPolarHBondContact O-CB 3.17Å; I419-S423 PolarHBondContact O-N 2.95Å; I419-S423 PolarHBondContact O-OG 2.95Å
420	C	88.3	Confident	75.1	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-85.8	-26.4	-172.4	-64.3	0	0	0	0	113.1	Y357 C361 H413 C417 S423	Y357-C420 HydrophobicContact CD1-CB 3.87Å; Y357-C420 HydrophobicContact CE1-CB 4.16Å; Y357-C420 WeakPolarHBondContact CE1-O 3.31Å; Y357-C420 HydrophobicContact CG-CB 4.24Å; C361-C420 WeakPolarHBondContact CB-SG 3.18Å; H413-C420 PolarHBondContact NE2-SG 3.49Å; C417-C420 HydrophobicContact CB-CB 4.05Å; C417-C420 PolarHBondContact O-N 3.35Å; C417-C420 VanDerWaalsContact O-N 3.07Å; C420-S423 WeakPolarHBondContact CA-OG 3.39Å
421	S	82.6	Confident	72.8	Confident	57 Å²	57	83.8 Å²	83.8	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-41	172.8	60.2	0	0	0	0	111.1	C417 E418	C417-S421 WeakPolarHBondContact O-CB 3.3Å; C417-S421 PolarHBondContact O-N 3.12Å; C417-S421 PolarHBondContact O-OG 3.49Å; E418-S421 WeakPolarHBondContact CA-OG 3.47Å; E418-S421 PolarHBondContact O-OG 3.37Å; E418-S421 VanDerWaalsContact O-OG 3.13Å
422	D	72.2	Confident	70.2	Confident	120 Å²	120	83.4 Å²	83.4	64%	0.642	46%	0.456	S	S	*	.	H	α-helix	trans	-86.3	-35.3	-173	-71.3	3.4	0	0	0	112.8	G424 K425	D422-G424 PolarHBondContact O-N 3.14Å; D422-G424 VanDerWaalsContact O-N 3.12Å; D422-K425 PolarHBondContact O-N 3.35Å
423	S	61.9	Low	67.7	Low	13 Å²	13	84.5 Å²	84.5	9%	0.091	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-68.5	-7.8	-179.3	51.6	0	0	0	0	114.6	Y357 I419 C420 K425 S426 I427	Y357-S423 VanDerWaalsContact CE1-OG 3.26Å; Y357-S423 WeakPolarHBondContact CE1-OG 3.16Å; I419-S423 VanDerWaalsContact O-CB 3.28Å; I419-S423 WeakPolarHBondContact O-CB 3.17Å; I419-S423 PolarHBondContact O-N 2.95Å; I419-S423 PolarHBondContact O-OG 2.95Å; C420-S423 WeakPolarHBondContact CA-OG 3.39Å; S423-K425 PolarHBondContact O-N 3.02Å; S423-S426 PolarHBondContact O-N 3.06Å; S423-S426 PolarHBondContact O-OG 3.29Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 3.23Å
424	G	54.6	Low	65.2	Low	25 Å²	25	85.9 Å²	85.9	26%	0.258	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-52.2	-26.6	167.9	0	0	0	0	0	113.4	D422	D422-G424 PolarHBondContact O-N 3.14Å; D422-G424 VanDerWaalsContact O-N 3.12Å
425	K	51.3	Low	62.9	Low	191 Å²	191	88.5 Å²	88.5	83%	0.83	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-80.7	-21	177.7	-66.2	178.8	-179	172.7	0	114.9	D422 S423	D422-K425 PolarHBondContact O-N 3.35Å; S423-K425 PolarHBondContact O-N 3.02Å
426	S	50.5	Low	60.1	Low	73 Å²	73	87.6 Å²	87.6	51%	0.51	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-20.6	-174.4	59	0	0	0	0	114.3	S423 T429	S423-S426 PolarHBondContact O-N 3.06Å; S423-S426 PolarHBondContact O-OG 3.29Å; S426-T429 PolarHBondContact O-OG1 3.22Å
427	I	52.4	Low	57.7	Low	27 Å²	27	84.1 Å²	84.1	14%	0.138	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-85.9	-18.5	-174.3	-62.5	172	0	0	0	112.9	R356 Y357 L360 S423 T429	R356-I427 HydrophobicContact CB-CD1 4.5Å; R356-I427 HydrophobicContact CB-CG2 3.97Å; R356-I427 HydrophobicContact CG-CG2 4.23Å; R356-I427 PolarHBondContact NH1-O 3.29Å; R356-I427 VanDerWaalsContact NH1-O 3.14Å; Y357-I427 HydrophobicContact CD1-CD1 3.73Å; Y357-I427 HydrophobicContact CE1-CD1 3.53Å; L360-I427 HydrophobicContact CD1-CD1 3.61Å; L360-I427 HydrophobicContact CD1-CG1 4.04Å; S423-I427 WeakPolarHBondContact O-CG1 3.28Å; S423-I427 PolarHBondContact O-N 3.23Å; I427-T429 PolarHBondContact O-N 3.12Å; I427-T429 VanDerWaalsContact O-N 3.1Å
428	E	50	Low	55.4	Low	160 Å²	160	88.1 Å²	88.1	75%	0.748	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-63.9	-12	180	-75.9	-176.1	169	0	0	113.9
429	T	46.8	Very low	53.4	Low	112 Å²	112	81.7 Å²	81.7	69%	0.687	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-99.1	-11	-172.9	53.7	0	0	0	0	116	S426 I427	S426-T429 PolarHBondContact O-OG1 3.22Å; I427-T429 PolarHBondContact O-N 3.12Å; I427-T429 VanDerWaalsContact O-N 3.1Å
430	D	46.2	Very low	50.9	Low	97 Å²	97	85.5 Å²	85.5	52%	0.519	49%	0.493	S	S	.	.			trans	-120.4	63.2	-174.4	-86.9	-27.6	0	0	0	112.9	A432 I433	D430-A432 PolarHBondContact O-N 3.13Å; D430-I433 HydrophobicContact CB-CD1 3.95Å; D430-I433 HydrophobicContact CB-CG1 4.31Å
431	D	45.2	Very low	49.1	Very low	113 Å²	113	89.8 Å²	89.8	60%	0.604	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.8	173.5	-75.3	-27.5	0	0	0	113.8	R356	R356-D431 IonicContact CZ-OD1 3.1Å; R356-D431 IonicContact NH1-OD1 3.69Å; R356-D431 PolarHBondContact NH1-OD1 2.69Å; R356-D431 VanDerWaalsContact NH1-OD1 3.1Å; R356-D431 IonicContact NH2-OD1 3.35Å; R356-D431 PolarHBondContact NH2-OD1 3.15Å
432	A	41.5	Very low	47.3	Very low	80 Å²	80	91.5 Å²	91.5	66%	0.661	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.9	-175.5	0	0	0	0	0	114.7	D430 W434	D430-A432 PolarHBondContact O-N 3.13Å; A432-W434 PolarHBondContact O-N 2.85Å
433	I	41.2	Very low	45.9	Very low	118 Å²	118	89.9 Å²	89.9	61%	0.605	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-78.6	-24.1	-166.2	-59.4	177.7	0	0	0	112.6	D430 G436	D430-I433 HydrophobicContact CB-CD1 3.95Å; D430-I433 HydrophobicContact CB-CG1 4.31Å; I433-G436 PolarHBondContact O-N 3.19Å
434	W	42.9	Very low	45	Very low	50 Å²	50	94.4 Å²	94.4	19%	0.189	54%	0.543	C	S	.	.	G	3₁₀ helix	trans	-93.2	-2.7	-175.1	-119.3	80.1	0	0	0	116.2	L355 A432 G436 N437	L355-W434 HydrophobicContact CB-CZ2 4.24Å; L355-W434 HydrophobicContact CD1-CH2 3.87Å; L355-W434 HydrophobicContact CD1-CZ2 4.36Å; L355-W434 HydrophobicContact CD1-CZ3 4.45Å; A432-W434 PolarHBondContact O-N 2.85Å; W434-G436 PolarHBondContact O-N 3.21Å; W434-N437 HydrophobicContact CD2-CB 4.15Å; W434-N437 HydrophobicContact CE3-CB 4.11Å; W434-N437 HydrophobicContact CH2-CB 4.21Å; W434-N437 HydrophobicContact CZ2-CB 4.22Å; W434-N437 HydrophobicContact CZ3-CB 4.14Å
435	L	40.2	Very low	44.4	Very low	126 Å²	126	98.8 Å²	98.8	66%	0.66	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-67.7	-14.2	162	-71.9	173.4	0	0	0	111.9	K438	L435-K438 WeakPolarHBondContact O-CG 3.5Å; L435-K438 PolarHBondContact O-N 3.07Å
436	G	34.2	Very low	43.9	Very low	58 Å²	58	92.6 Å²	92.6	60%	0.598	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-81.5	-19.6	178.4	0	0	0	0	0	115.3	I433 W434 K438	I433-G436 PolarHBondContact O-N 3.19Å; W434-G436 PolarHBondContact O-N 3.21Å; G436-K438 PolarHBondContact O-N 3.41Å
437	N	40.6	Very low	43.4	Very low	85 Å²	85	94 Å²	94	46%	0.455	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-94.3	31.7	168.1	-87	-0.1	0	0	0	110.8	W434 P439	W434-N437 HydrophobicContact CD2-CB 4.15Å; W434-N437 HydrophobicContact CE3-CB 4.11Å; W434-N437 HydrophobicContact CH2-CB 4.21Å; W434-N437 HydrophobicContact CZ2-CB 4.22Å; W434-N437 HydrophobicContact CZ3-CB 4.14Å; N437-P439 VanDerWaalsContact C-N 3.34Å; N437-P439 WeakPolarHBondContact O-CD 3.42Å
438	K	44.8	Very low	42.8	Very low	94 Å²	94	99.2 Å²	99.2	41%	0.409	58%	0.576	S	S	.	*	S	Bend	trans	-51.6	110.4	151.1	-86	-179.6	-177.4	-176.4	0	105	E183 L435 G436 S440	E183-K438 WeakPolarHBondContact OE1-CD 3.28Å; E183-K438 WeakPolarHBondContact OE1-CE 3.09Å; E183-K438 IonicContact OE1-NZ 3.93Å; E183-K438 PolarHBondContact OE1-NZ 3.43Å; E183-K438 IonicContact OE2-NZ 3.37Å; L435-K438 WeakPolarHBondContact O-CG 3.5Å; L435-K438 PolarHBondContact O-N 3.07Å; G436-K438 PolarHBondContact O-N 3.41Å; K438-S440 PolarHBondContact O-N 3.49Å
439	P	45	Very low	42.1	Very low	30 Å²	30	94.1 Å²	94.1	20%	0.195	56%	0.562	C	S	.	*			trans	-55.5	117.5	-175.9	18.1	-29.8	0	0	0	108.1	F181 N437	F181-P439 HydrophobicContact CD1-CG 3.48Å; F181-P439 VanDerWaalsContact CD1-CG 3.48Å; F181-P439 HydrophobicContact CD2-CB 3.59Å; F181-P439 HydrophobicContact CD2-CG 3.39Å; F181-P439 WeakPolarHBondContact CD2-O 3.38Å; F181-P439 HydrophobicContact CE1-CB 4.24Å; F181-P439 HydrophobicContact CE1-CG 3.09Å; F181-P439 HydrophobicContact CE2-CB 3.24Å; F181-P439 HydrophobicContact CE2-CG 3.03Å; F181-P439 HydrophobicContact CG-CB 4.24Å; F181-P439 HydrophobicContact CG-CG 3.6Å; F181-P439 HydrophobicContact CZ-CB 3.61Å; F181-P439 HydrophobicContact CZ-CG 2.86Å; N437-P439 VanDerWaalsContact C-N 3.34Å; N437-P439 WeakPolarHBondContact O-CD 3.42Å
440	S	37.2	Very low	41.7	Very low	166 Å²	166	92.5 Å²	92.5	100%	1.161	55%	0.55	S	S	*	*			trans	-65.8	0	-174.3	-38.8	0	0	0	0	111.6	K438	K438-S440 PolarHBondContact O-N 3.49Å

Retrieved 440 of 440 residues in 387.9 ms (Link to these results)

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