A0A096M7Q6_POEFO Loading...

3'-phosphoadenosine 5'-phosphosulfate synthase 1

AlphaFold DB , UniProt , Accession A0A096M7Q6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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	31.6	Very low	44.6	Very low	237 Å²	237	108.5 Å²	108.5	100%	1.167	53%	0.532	S	S	*	.				0	95.5	0	-112.6	176.9	168.3	0	0	108.5	R3	M1-R3 PolarHBondContact O-N 3.45Å
2	Q	28.3	Very low	45.7	Very low	177 Å²	177	106.3 Å²	106.3	83%	0.827	52%	0.519	S	S	*	.			trans	-78.2	109.7	170.1	-80.7	178.7	-15.1	0	0	107.7
3	R	35.8	Very low	47.4	Very low	189 Å²	189	107.3 Å²	107.3	71%	0.713	52%	0.522	S	S	*	.			trans	-74.2	155.3	168.7	-62.2	178.5	-177	-179	-0.2	108.2	M1 T5 N6	M1-R3 PolarHBondContact O-N 3.45Å; R3-T5 HydrophobicContact CB-CG2 4.06Å; R3-T5 WeakPolarHBondContact CB-OG1 3.41Å; R3-T5 PolarHBondContact O-N 2.84Å; R3-N6 PolarHBondContact O-N 3.43Å
4	A	39.4	Very low	49.2	Very low	12 Å²	12	100.4 Å²	100.4	10%	0.099	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	12.8	171.9	0	0	0	0	0	113.7	N6 C217 V219	A4-N6 PolarHBondContact O-N 3.32Å; A4-C217 WeakPolarHBondContact CB-O 3.28Å; A4-V219 HydrophobicContact CB-CG2 4.15Å
5	T	41.7	Very low	51	Low	63 Å²	63	97.9 Å²	97.9	39%	0.387	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.3	172.7	54.6	0	0	0	0	112.9	R3 V7	R3-T5 HydrophobicContact CB-CG2 4.06Å; R3-T5 WeakPolarHBondContact CB-OG1 3.41Å; R3-T5 PolarHBondContact O-N 2.84Å; T5-V7 PolarHBondContact O-N 3.3Å
6	N	44.3	Very low	52.1	Low	111 Å²	111	105.6 Å²	105.6	59%	0.594	51%	0.508	S	S	*	.			trans	-95.2	61.2	177.7	-67.4	-2.1	0	0	0	111.3	R3 A4 T8	R3-N6 PolarHBondContact O-N 3.43Å; A4-N6 PolarHBondContact O-N 3.32Å; N6-T8 VanDerWaalsContact C-N 3.33Å; N6-T8 PolarHBondContact O-N 3.24Å
7	V	51.5	Low	53.1	Low	26 Å²	26	106.8 Å²	106.8	16%	0.158	52%	0.517	C	S	.	.			trans	-69.9	92.4	170.5	-176.4	0	0	0	0	108.1	T5 V180	T5-V7 PolarHBondContact O-N 3.3Å; V7-V180 HydrophobicContact CB-CG2 4.06Å; V7-V180 HydrophobicContact CG1-CG2 3.88Å; V7-V180 VanDerWaalsContact O-CG2 3.23Å; V7-V180 WeakPolarHBondContact O-CG2 3.37Å
8	T	51.8	Low	53.9	Low	80 Å²	80	104.7 Å²	104.7	49%	0.491	51%	0.505	S	S	.	.			trans	-93.7	165.1	173.6	54	0	0	0	0	110.9	N6 Q10	N6-T8 VanDerWaalsContact C-N 3.33Å; N6-T8 PolarHBondContact O-N 3.24Å; T8-Q10 PolarHBondContact O-N 3.06Å; T8-Q10 PolarHBondContact OG1-NE2 3.41Å; T8-Q10 VanDerWaalsContact OG1-NE2 3.16Å
9	Y	53	Low	54.6	Low	180 Å²	180	101.4 Å²	101.4	71%	0.706	49%	0.487	S	S	*	.			trans	-57.1	127.2	168.5	177.7	-94.2	0	0	0	109.6	A11	Y9-A11 HydrophobicContact CE1-CB 4.37Å
10	Q	55.8	Low	55	Low	74 Å²	74	98.9 Å²	98.9	35%	0.346	49%	0.489	S	S	.	.			trans	-113.8	127.7	177.1	-66	-65.2	-39.9	0	0	108	T8	T8-Q10 PolarHBondContact O-N 3.06Å; T8-Q10 PolarHBondContact OG1-NE2 3.41Å; T8-Q10 VanDerWaalsContact OG1-NE2 3.16Å
11	A	57.4	Low	55.8	Low	44 Å²	44	101.2 Å²	101.2	36%	0.364	50%	0.498	S	S	.	.			trans	-82.7	152.8	172.2	0	0	0	0	0	109.5	Y9 H13	Y9-A11 HydrophobicContact CE1-CB 4.37Å; A11-H13 PolarHBondContact O-CD2 3.38Å; A11-H13 PolarHBondContact O-N 2.74Å; A11-H13 VanDerWaalsContact O-N 3.09Å; A11-H13 PolarHBondContact O-NE2 3.27Å
12	H	57.5	Low	57.8	Low	82 Å²	82	90.7 Å²	90.7	38%	0.38	45%	0.448	S	S	.	.			trans	-60.9	113	170.6	-90.1	-88.1	0	0	0	109.7	M80 D97	H12-M80 WeakPolarHBondContact CE1-CE 3.36Å; H12-M80 PolarHBondContact CE1-SD 3.34Å; H12-M80 WeakPolarHBondContact NE2-CE 3.43Å; H12-D97 IonicContact CE1-OD2 3.25Å; H12-D97 IonicContact NE2-OD2 3.78Å; H12-D97 PolarHBondContact NE2-OD2 3.49Å
13	H	68.2	Low	59.9	Low	120 Å²	120	87.1 Å²	87.1	56%	0.556	44%	0.437	S	S	*	.			trans	-93	-16.6	-178.3	-66.9	-64.7	0	0	0	113.4	A11	A11-H13 PolarHBondContact O-CD2 3.38Å; A11-H13 PolarHBondContact O-N 2.74Å; A11-H13 VanDerWaalsContact O-N 3.09Å; A11-H13 PolarHBondContact O-NE2 3.27Å
14	V	73.2	Confident	61.3	Low	11 Å²	11	81.5 Å²	81.5	7%	0.067	44%	0.439	C	S	.	.			trans	-97.1	114.9	177.9	179.9	0	0	0	0	110.1	K18 R19 E83 V87	V14-K18 HydrophobicContact CG1-CB 4.17Å; V14-K18 HydrophobicContact CG1-CD 4.38Å; V14-R19 HydrophobicContact CG1-CG 3.61Å; V14-E83 HydrophobicContact CB-CG 4.31Å; V14-E83 HydrophobicContact CG2-CG 4.04Å; V14-V87 HydrophobicContact CG1-CB 4.47Å; V14-V87 HydrophobicContact CG1-CG1 4.2Å; V14-V87 HydrophobicContact CG1-CG2 3.94Å
15	S	75.5	Confident	62.5	Low	63 Å²	63	84.9 Å²	84.9	44%	0.441	46%	0.458	S	S	.	.			trans	-83.5	162.5	177.8	73.5	0	0	0	0	112.6	N17 K18 R19	S15-N17 PolarHBondContact O-N 2.62Å; S15-N17 PolarHBondContact OG-N 3.09Å; S15-K18 PolarHBondContact O-N 3.4Å; S15-K18 PolarHBondContact OG-N 3.44Å; S15-R19 PolarHBondContact O-N 3.13Å
16	R	68.8	Low	63.6	Low	221 Å²	221	85.7 Å²	85.7	83%	0.834	45%	0.454	S	S	*	.	H	α-helix	trans	-52.4	-39.5	170.7	-178.3	180	176.1	-177.8	-0.8	112.6	R19 G20	R16-R19 PolarHBondContact O-N 2.88Å; R16-G20 PolarHBondContact O-N 2.92Å
17	N	69	Low	64.1	Low	125 Å²	125	83.2 Å²	83.2	67%	0.668	46%	0.455	S	S	*	.	H	α-helix	trans	-64.7	-42.3	178.3	-68.9	-9.9	0	0	0	111.2	S15 G20 Q21	S15-N17 PolarHBondContact O-N 2.62Å; S15-N17 PolarHBondContact OG-N 3.09Å; N17-G20 PolarHBondContact O-N 3.39Å; N17-Q21 WeakPolarHBondContact O-CG 3.41Å; N17-Q21 PolarHBondContact O-N 3.31Å; N17-Q21 VanDerWaalsContact O-N 3.13Å
18	K	66.6	Low	64.4	Low	69 Å²	69	85.4 Å²	85.4	30%	0.3	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-40.8	177.5	-160	178.1	-179.1	-176.3	0	111.5	V14 S15 Q21 V87	V14-K18 HydrophobicContact CG1-CB 4.17Å; V14-K18 HydrophobicContact CG1-CD 4.38Å; S15-K18 PolarHBondContact O-N 3.4Å; S15-K18 PolarHBondContact OG-N 3.44Å; K18-Q21 PolarHBondContact O-N 3.06Å; K18-V87 HydrophobicContact CD-CG1 4.03Å; K18-V87 HydrophobicContact CG-CG1 3.78Å
19	R	68.5	Low	64.4	Low	43 Å²	43	87.9 Å²	87.9	16%	0.162	49%	0.487	C	S	.	.	H	α-helix	trans	-63.5	-41.8	173	-63	-171.4	-169.2	132.9	4.5	112	V14 S15 R16 Q21 V22 E83	V14-R19 HydrophobicContact CG1-CG 3.61Å; S15-R19 PolarHBondContact O-N 3.13Å; R16-R19 PolarHBondContact O-N 2.88Å; R19-Q21 VanDerWaalsContact C-N 3.28Å; R19-Q21 PolarHBondContact O-N 3Å; R19-V22 WeakPolarHBondContact O-CG2 3.26Å; R19-V22 PolarHBondContact O-N 2.9Å; R19-E83 IonicContact CZ-OE1 3.32Å; R19-E83 IonicContact NE-OE1 3.33Å; R19-E83 PolarHBondContact NE-OE1 3.33Å; R19-E83 IonicContact NH2-OE1 2.79Å; R19-E83 PolarHBondContact NH2-OE1 3.11Å; R19-E83 IonicContact NH2-OE2 3.42Å
20	G	62.6	Low	65	Low	50 Å²	50	82.5 Å²	82.5	52%	0.515	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-31.4	178.7	0	0	0	0	0	114	R16 N17 V22	R16-G20 PolarHBondContact O-N 2.92Å; N17-G20 PolarHBondContact O-N 3.39Å; G20-V22 VanDerWaalsContact C-N 3.29Å; G20-V22 PolarHBondContact O-N 3.11Å
21	Q	71.6	Confident	65.5	Low	148 Å²	148	79.1 Å²	79.1	69%	0.692	45%	0.45	S	S	*	.	H	α-helix	trans	-68.5	-24.6	179	-75.1	172.9	-15	0	0	113.8	N17 K18 R19 T25	N17-Q21 WeakPolarHBondContact O-CG 3.41Å; N17-Q21 PolarHBondContact O-N 3.31Å; N17-Q21 VanDerWaalsContact O-N 3.13Å; K18-Q21 PolarHBondContact O-N 3.06Å; R19-Q21 VanDerWaalsContact C-N 3.28Å; R19-Q21 PolarHBondContact O-N 3Å; Q21-T25 WeakPolarHBondContact O-CG2 3.22Å
22	V	73.6	Confident	66.2	Low	17 Å²	17	77 Å²	77	10%	0.103	43%	0.433	C	S	.	.	H	α-helix	trans	-95.6	-14.6	-176	-61.4	0	0	0	0	113.5	R19 G20 G24 T25 V87 P92	R19-V22 WeakPolarHBondContact O-CG2 3.26Å; R19-V22 PolarHBondContact O-N 2.9Å; G20-V22 VanDerWaalsContact C-N 3.29Å; G20-V22 PolarHBondContact O-N 3.11Å; V22-G24 PolarHBondContact O-N 3.49Å; V22-T25 WeakPolarHBondContact O-CB 3.45Å; V22-T25 WeakPolarHBondContact O-CG2 3.21Å; V22-T25 PolarHBondContact O-N 3.29Å; V22-T25 PolarHBondContact O-OG1 2.96Å; V22-V87 HydrophobicContact CG1-CG1 4.22Å; V22-V87 WeakPolarHBondContact CG1-O 3.33Å; V22-P92 HydrophobicContact CG2-CB 4.41Å; V22-P92 HydrophobicContact CG2-CG 4.21Å
23	V	72.3	Confident	67.1	Low	101 Å²	101	73.1 Å²	73.1	61%	0.612	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	125.4	179.5	178.2	0	0	0	0	109.9	T25 P92	V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 3.43Å; V23-P92 HydrophobicContact CG2-CB 4.37Å; V23-P92 HydrophobicContact CG2-CG 4.41Å
24	G	65.3	Low	67.4	Low	72 Å²	72	67.4 Å²	67.4	74%	0.742	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	3.8	-179.9	0	0	0	0	0	115.5	V22	V22-G24 PolarHBondContact O-N 3.49Å
25	T	64	Low	67.7	Low	82 Å²	82	66.9 Å²	66.9	50%	0.503	39%	0.385	S	S	.	.	S	Bend	trans	-77.2	-19.4	179.9	59.4	0	0	0	0	113.8	Q21 V22 V23 G90	Q21-T25 WeakPolarHBondContact O-CG2 3.22Å; V22-T25 WeakPolarHBondContact O-CB 3.45Å; V22-T25 WeakPolarHBondContact O-CG2 3.21Å; V22-T25 PolarHBondContact O-N 3.29Å; V22-T25 PolarHBondContact O-OG1 2.96Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 3.43Å; T25-G90 PolarHBondContact OG1-O 3.12Å
26	R	64.3	Low	67.5	Low	80 Å²	80	64 Å²	64	30%	0.302	37%	0.365	S	S	.	.	S	Bend	trans	-127.1	141.3	176.7	-69.9	-176.4	166.7	-164.6	-10.3	110.2	H89 D239	R26-H89 PolarHBondContact NE-O 3.06Å; R26-H89 VanDerWaalsContact NE-O 3.08Å; R26-H89 PolarHBondContact NH1-O 3.08Å; R26-H89 VanDerWaalsContact NH1-O 3.09Å; R26-H89 PolarHBondContact NH2-O 3.43Å; R26-D239 IonicContact CZ-OD1 3.38Å; R26-D239 IonicContact CZ-OD2 3.55Å; R26-D239 IonicContact NH1-OD1 2.81Å; R26-D239 IonicContact NH2-OD1 3.08Å; R26-D239 PolarHBondContact NH2-OD1 2.69Å; R26-D239 IonicContact NH2-OD2 2.9Å; R26-D239 PolarHBondContact NH2-OD2 2.88Å
27	G	54.9	Low	67.8	Low	60 Å²	60	53.5 Å²	53.5	62%	0.619	33%	0.325	S	S	*	.			trans	-85.2	154	179.4	0	0	0	0	0	114	R30	G27-R30 PolarHBondContact O-NE 3.23Å; G27-R30 PolarHBondContact O-NH2 2.75Å; G27-R30 VanDerWaalsContact O-NH2 3.14Å
28	G	59.4	Low	67	Low	71 Å²	71	47.5 Å²	47.5	73%	0.732	29%	0.293	S	S	*	.	S	Bend	trans	100.1	156.8	178.3	0	0	0	0	0	114.1
29	F	51.9	Low	66.1	Low	133 Å²	133	45.6 Å²	45.6	58%	0.583	28%	0.284	S	S	*	.			trans	-85.7	120.4	174.6	-173.8	-94.4	0	0	0	109.8	A131 D132 L161	F29-A131 VanDerWaalsContact CZ-O 3.22Å; F29-A131 WeakPolarHBondContact CZ-O 3.27Å; F29-D132 WeakPolarHBondContact CE2-O 3.14Å; F29-D132 WeakPolarHBondContact CZ-O 3.37Å; F29-L161 HydrophobicContact CE1-CD2 3.87Å; F29-L161 HydrophobicContact CZ-CD2 4.03Å
30	R	64.6	Low	64.8	Low	67 Å²	67	45 Å²	45	25%	0.253	28%	0.284	S	S	.	.			trans	-135.4	22.5	-171.6	-56.2	-176.8	-171.3	-159.2	-1.4	113	G27 C32 P237	G27-R30 PolarHBondContact O-NE 3.23Å; G27-R30 PolarHBondContact O-NH2 2.75Å; G27-R30 VanDerWaalsContact O-NH2 3.14Å; R30-C32 PolarHBondContact O-N 3.35Å; R30-P237 VanDerWaalsContact NH1-CG 3.33Å
31	G	67.3	Low	63.4	Low	2 Å²	2	49.6 Å²	49.6	2%	0.021	29%	0.289	C	S	.	.			trans	-71.9	131.4	-177.9	0	0	0	0	0	111.5	A131 L135	G31-A131 VanDerWaalsContact CA-O 3.26Å; G31-A131 WeakPolarHBondContact CA-O 3.5Å; G31-L135 WeakPolarHBondContact CA-O 3.47Å
32	C	72.4	Confident	61.5	Low	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	166	176.8	72.1	0	0	0	0	110.4	R30 L135 C137 P162 F164 I235	R30-C32 PolarHBondContact O-N 3.35Å; C32-L135 PolarHBondContact N-O 2.97Å; C32-C137 PolarHBondContact O-N 3.12Å; C32-P162 HydrophobicContact CB-CB 3.96Å; C32-P162 HydrophobicContact CB-CG 4.45Å; C32-F164 HydrophobicContact CB-CD2 4.35Å; C32-F164 HydrophobicContact CB-CE2 3.8Å; C32-I235 HydrophobicContact CB-CD1 3.91Å; C32-I235 HydrophobicContact CB-CG1 4.35Å
33	T	76.4	Confident	59.4	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.8	172	-65.5	0	0	0	0	110.8	W35 A127 C137 H156 P162 F163 F164	T33-W35 HydrophobicContact CG2-CE3 4.12Å; T33-A127 HydrophobicContact CG2-CB 3.85Å; T33-A127 PolarHBondContact OG1-O 2.85Å; T33-C137 CarbonylContact C-O 3.52Å; T33-C137 WeakPolarHBondContact CA-O 3.48Å; T33-H156 WeakPolarHBondContact CB-NE2 3.41Å; T33-H156 PolarHBondContact OG1-CD2 2.95Å; T33-H156 VanDerWaalsContact OG1-CD2 3.31Å; T33-H156 PolarHBondContact OG1-NE2 3.41Å; T33-P162 PolarHBondContact N-O 2.94Å; T33-P162 VanDerWaalsContact N-O 3.07Å; T33-F163 HydrophobicContact CG2-CD2 4.03Å; T33-F163 HydrophobicContact CG2-CE2 4.02Å; T33-F164 PolarHBondContact O-N 2.85Å
34	V	73.1	Confident	57.5	Low	1 Å²	1	61.9 Å²	61.9	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.9	167.8	-177.7	0	0	0	0	108.1	L36 V136 C137 L138 A139 F164 V166 L226 L230	V34-L36 HydrophobicContact CG1-CD2 4.12Å; V34-V136 HydrophobicContact CG2-CG1 4.33Å; V34-C137 PolarHBondContact N-O 3.34Å; V34-L138 HydrophobicContact CB-CD2 3.72Å; V34-L138 HydrophobicContact CG1-CD2 4.41Å; V34-L138 HydrophobicContact CG2-CD2 3.98Å; V34-A139 PolarHBondContact O-N 2.71Å; V34-F164 HydrophobicContact CG2-CD2 4.21Å; V34-V166 HydrophobicContact CG1-CG2 3.76Å; V34-L226 HydrophobicContact CG1-CD2 4.34Å; V34-L230 HydrophobicContact CG2-CD2 4.06Å
35	W	79.5	Confident	55.8	Low	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	105.7	-174.2	-166.2	-75	0	0	0	111.2	T33 I120 I123 A124 A139 S143 A152 F163 F164 V166	T33-W35 HydrophobicContact CG2-CE3 4.12Å; W35-I120 HydrophobicContact CH2-CG2 4.08Å; W35-I120 HydrophobicContact CZ2-CD1 4.47Å; W35-I120 HydrophobicContact CZ2-CG2 3.89Å; W35-I123 HydrophobicContact CH2-CB 4.12Å; W35-I123 HydrophobicContact CH2-CG2 3.5Å; W35-I123 VanDerWaalsContact CH2-CG2 3.5Å; W35-I123 HydrophobicContact CZ2-CG2 4.45Å; W35-I123 HydrophobicContact CZ3-CG2 3.75Å; W35-A124 HydrophobicContact CH2-CB 4.43Å; W35-A124 HydrophobicContact CZ3-CB 4.32Å; W35-A139 HydrophobicContact CD2-CB 3.81Å; W35-A139 HydrophobicContact CE3-CB 3.42Å; W35-A139 VanDerWaalsContact CE3-CB 3.42Å; W35-A139 HydrophobicContact CG-CB 4.36Å; W35-A139 HydrophobicContact CH2-CB 4.5Å; W35-A139 HydrophobicContact CZ3-CB 3.82Å; W35-S143 PolarHBondContact NE1-OG 3.26Å; W35-A152 HydrophobicContact CH2-CB 4.38Å; W35-A152 HydrophobicContact CZ3-CB 4.28Å; W35-F163 HydrophobicContact CB-CE1 4.24Å; W35-F163 HydrophobicContact CB-CE2 3.9Å; W35-F163 HydrophobicContact CB-CZ 3.53Å; W35-F163 HydrophobicContact CD2-CE2 4.18Å; W35-F163 HydrophobicContact CD2-CZ 4.01Å; W35-F163 AromaticContact CE3-CE2 3.83Å; W35-F163 HydrophobicContact CE3-CE2 3.83Å; W35-F163 HydrophobicContact CE3-CZ 4.14Å; W35-F163 HydrophobicContact CG-CE2 4.23Å; W35-F163 AromaticContact CG-CZ 3.77Å; W35-F163 HydrophobicContact CG-CZ 3.77Å; W35-F164 PolarHBondContact N-O 2.66Å; W35-V166 PolarHBondContact O-N 3.05Å
36	L	71.4	Confident	54.2	Low	2 Å²	2	71 Å²	71	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126	-177.8	-55.2	176.8	0	0	0	110.7	V34 K75 V78 A139 V166 V168	V34-L36 HydrophobicContact CG1-CD2 4.12Å; L36-K75 HydrophobicContact CB-CB 4.36Å; L36-K75 HydrophobicContact CB-CG 4.27Å; L36-K75 WeakPolarHBondContact CD1-O 3.35Å; L36-V78 HydrophobicContact CD1-CB 4.42Å; L36-V78 HydrophobicContact CD1-CG1 4.26Å; L36-V78 HydrophobicContact CD2-CG1 4.36Å; L36-A139 PolarHBondContact N-O 3.13Å; L36-V166 CarbonylContact C-O 3.14Å; L36-V166 WeakPolarHBondContact CA-O 3.45Å; L36-V166 HydrophobicContact CD2-CB 3.64Å; L36-V166 HydrophobicContact CD2-CG1 3.67Å; L36-V166 HydrophobicContact CD2-CG2 4.19Å; L36-V168 HydrophobicContact CB-CG2 4.15Å; L36-V168 HydrophobicContact CD2-CG2 4.3Å
37	T	74.6	Confident	52.5	Low	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	161.8	177.9	-175.3	0	0	0	0	112.7	I142 E165 V166 F167 V168 Y202 P205	T37-I142 WeakPolarHBondContact CB-O 3.39Å; T37-I142 PolarHBondContact OG1-O 3.49Å; T37-E165 HydrophobicContact CG2-CG 4.39Å; T37-V166 PolarHBondContact N-O 2.99Å; T37-F167 HydrophobicContact CG2-CD2 4.26Å; T37-F167 CarbonylContact O-C 3.4Å; T37-V168 WeakPolarHBondContact O-CA 3.27Å; T37-V168 WeakPolarHBondContact O-CB 3.38Å; T37-V168 PolarHBondContact O-N 3.44Å; T37-Y202 WeakPolarHBondContact CG2-OH 3.19Å; T37-Y202 WeakPolarHBondContact OG1-CE2 3.3Å; T37-Y202 PolarHBondContact OG1-OH 3.48Å; T37-P205 HydrophobicContact CG2-CG 3.66Å
38	G	53.3	Low	51.8	Low	0 Å²	0	76 Å²	76	0%	0	38%	0.381	C	S	.	.			trans	-163.7	156.1	-176.7	0	0	0	0	0	119.4	V168 Y202	G38-V168 WeakPolarHBondContact CA-O 3.25Å; G38-Y202 VanDerWaalsContact C-CZ 3.47Å; G38-Y202 PolarHBondContact N-OH 3.1Å; G38-Y202 VanDerWaalsContact N-OH 3.12Å; G38-Y202 VanDerWaalsContact O-CD2 3.23Å; G38-Y202 WeakPolarHBondContact O-CD2 3.21Å; G38-Y202 WeakPolarHBondContact O-CE2 3.41Å; G38-Y202 VanDerWaalsContact O-CZ 3.29Å
39	R	48.3	Very low	50.2	Low	29 Å²	29	80.8 Å²	80.8	11%	0.109	38%	0.384	C	S	.	.			trans	-123.8	167.9	-151	178.1	-104.2	168.2	137.6	8.4	119.7	F41 L70 F167 D169 A170 Y202 K204	R39-F41 VanDerWaalsContact CZ-CE2 3.48Å; R39-F41 VanDerWaalsContact CZ-CG 3.45Å; R39-F41 VanDerWaalsContact NH1-CE2 3.29Å; R39-F41 VanDerWaalsContact NH2-CD1 3.27Å; R39-L70 VanDerWaalsContact C-CD1 3.45Å; R39-L70 WeakPolarHBondContact O-CD1 3.43Å; R39-L70 WeakPolarHBondContact O-CG 3.5Å; R39-F167 HydrophobicContact CB-CE2 3.45Å; R39-F167 VanDerWaalsContact CB-CE2 3.45Å; R39-F167 HydrophobicContact CB-CZ 3.34Å; R39-F167 HydrophobicContact CG-CE2 4.42Å; R39-F167 HydrophobicContact CG-CZ 3.88Å; R39-D169 WeakPolarHBondContact CD-OD1 3.42Å; R39-A170 VanDerWaalsContact O-O 3.09Å; R39-Y202 HydrophobicContact CB-CD1 3.73Å; R39-Y202 HydrophobicContact CB-CE1 3.6Å; R39-Y202 HydrophobicContact CG-CD1 3.98Å; R39-Y202 HydrophobicContact CG-CE1 4.17Å; R39-K204 HydrophobicContact CG-CD 4.43Å; R39-K204 HydrophobicContact CG-CG 3.98Å; R39-K204 VanDerWaalsContact NH1-CE 3.35Å; R39-K204 VanDerWaalsContact NH2-NZ 3.13Å
40	M	40.9	Very low	48.9	Very low	31 Å²	31	82.6 Å²	82.6	15%	0.153	40%	0.398	C	S	.	.			trans	-126.7	147.2	175	-119.9	-115.9	-150	0	0	115.6	L70 L172 G197 I198	M40-L70 HydrophobicContact CB-CD1 4.15Å; M40-L70 HydrophobicContact CB-CD2 4.33Å; M40-L70 HydrophobicContact CG-CD1 3.69Å; M40-L70 HydrophobicContact CG-CD2 3.84Å; M40-L70 HydrophobicContact CG-CG 4.34Å; M40-L172 HydrophobicContact CB-CB 4.45Å; M40-L172 HydrophobicContact CE-CB 4.46Å; M40-L172 HydrophobicContact CE-CD1 3.12Å; M40-L172 HydrophobicContact CE-CD2 3.25Å; M40-L172 HydrophobicContact CE-CG 3.57Å; M40-L172 HydrophobicContact CG-CB 3.61Å; M40-L172 HydrophobicContact CG-CD1 3.43Å; M40-L172 VanDerWaalsContact CG-CD1 3.43Å; M40-L172 HydrophobicContact CG-CD2 4.19Å; M40-L172 HydrophobicContact CG-CG 3.79Å; M40-L172 HydrophobicContact SD-CB 3.68Å; M40-L172 HydrophobicContact SD-CD1 3.48Å; M40-L172 WeakPolarHBondContact SD-CD1 3.21Å; M40-L172 HydrophobicContact SD-CD2 3.16Å; M40-L172 WeakPolarHBondContact SD-CD2 3.04Å; M40-L172 HydrophobicContact SD-CG 3.45Å; M40-L172 WeakPolarHBondContact SD-CG 3.44Å; M40-G197 VanDerWaalsContact CE-CA 3.48Å; M40-G197 WeakPolarHBondContact CE-O 3.44Å; M40-I198 HydrophobicContact CE-CB 4.45Å; M40-I198 HydrophobicContact CE-CG1 3.67Å
41	F	32.5	Very low	47.1	Very low	145 Å²	145	89.2 Å²	89.2	64%	0.636	43%	0.428	S	S	*	.			trans	-131.7	144	163.8	-126.7	-32.1	0	0	0	109.6	R39	R39-F41 VanDerWaalsContact CZ-CE2 3.48Å; R39-F41 VanDerWaalsContact CZ-CG 3.45Å; R39-F41 VanDerWaalsContact NH1-CE2 3.29Å; R39-F41 VanDerWaalsContact NH2-CD1 3.27Å
42	K	31.3	Very low	45	Very low	181 Å²	181	94 Å²	94	79%	0.787	47%	0.468	S	S	*	.			trans	-106.7	130.2	174.7	-152.7	177.5	-174	-179.7	0	109.6
43	K	29.6	Very low	42.7	Very low	193 Å²	193	101.2 Å²	101.2	84%	0.839	51%	0.506	S	S	*	.			trans	-91.9	122.2	169.3	-160	175.3	-172	173.2	0	107.9	K45	K43-K45 PolarHBondContact O-N 2.79Å
44	D	33.8	Very low	40.1	Very low	150 Å²	150	111.3 Å²	111.3	80%	0.802	55%	0.551	S	S	*	*			trans	-79.8	114.2	-174.2	-155.7	7.7	0	0	0	110.6
45	K	29.6	Very low	37.7	Very low	189 Å²	189	122.5 Å²	122.5	82%	0.822	59%	0.593	S	S	*	*			trans	-152.8	131.7	165.3	-74.6	-159.7	176.9	-177.1	0	112.1	K43	K43-K45 PolarHBondContact O-N 2.79Å
46	N	28.5	Very low	35	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	63%	0.634	S	S	*	*			trans	-64.6	145	-174.1	-70.7	-41.3	0	0	0	116.9
47	N	30.3	Very low	32.7	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	67%	0.669	S	S	*	*			trans	74.4	157.3	146.6	-113.6	3.5	0	0	0	121.7
48	P	40.1	Very low	30.3	Very low	85 Å²	85	143.3 Å²	143.3	55%	0.552	71%	0.712	S	S	*	*				-129.6	-171.9	-126.8	31.4	-4.9	0	0	0	114.1
49	H	24.9	Very low	28.8	Very low	171 Å²	171	148.8 Å²	148.8	79%	0.792	75%	0.75	S	S	*	*			trans	98.4	121	168.3	-56.3	-65	0	0	0	117.2
50	I	25	Very low	27.6	Very low	170 Å²	170	154.6 Å²	154.6	87%	0.872	78%	0.782	S	S	*	*				-172.5	144.6	95.7	-84.4	160.1	0	0	0	109.7
51	K	26.2	Very low	26.7	Very low	206 Å²	206	160.9 Å²	160.9	90%	0.896	81%	0.814	S	S	*	*			trans	-73.8	152.1	179.1	-69.1	173	170.7	178.7	0	113
52	A	23.6	Very low	26.2	Very low	103 Å²	103	160.6 Å²	160.6	85%	0.851	82%	0.819	S	S	*	*			trans	-157.8	124.6	142.3	0	0	0	0	0	111.4
53	D	23.1	Very low	25.8	Very low	151 Å²	151	157.6 Å²	157.6	81%	0.807	82%	0.818	S	S	*	*			trans	-68	141.1	168	-104.9	-41.7	0	0	0	111
54	F	22.7	Very low	25.6	Very low	212 Å²	212	153 Å²	153	93%	0.93	80%	0.802	S	S	*	*			trans	-156	119.9	145.7	-108.5	-79.7	0	0	0	110.5
55	R	22.9	Very low	25.1	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	78%	0.779	S	S	*	*			trans	-80.3	134.6	167	-74.4	-179.4	175.2	-175.9	-1.7	109.5
56	C	21.8	Very low	25.2	Very low	127 Å²	127	141.1 Å²	141.1	86%	0.858	75%	0.748	S	S	*	*			trans	-158.6	126.4	143.3	-142.1	0	0	0	0	110.6
57	S	24.3	Very low	25.3	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	72%	0.72	S	S	*	*			trans	-88.1	130.7	-178.6	-48.6	0	0	0	0	110.4
58	F	22.9	Very low	25.4	Very low	205 Å²	205	129.8 Å²	129.8	90%	0.899	70%	0.695	S	S	*	*			trans	-153.5	122.8	150.6	-98.4	-78.1	0	0	0	109.7
59	S	22	Very low	25.4	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	67%	0.67	S	S	*	*			trans	-88.5	118.2	176.7	-59.9	0	0	0	0	110.4
60	I	23.2	Very low	26.7	Very low	151 Å²	151	117.8 Å²	117.8	77%	0.774	63%	0.632	S	S	*	*			trans	-139.3	116.8	150.6	-61.5	-177	0	0	0	106.8	L62	I60-L62 HydrophobicContact CG2-CD1 4.31Å
61	I	23	Very low	28.4	Very low	162 Å²	162	110.6 Å²	110.6	83%	0.831	60%	0.597	S	S	*	*			trans	-83.4	113.8	178.6	-64.3	170.7	0	0	0	108.1
62	L	21.9	Very low	30.1	Very low	139 Å²	139	101.3 Å²	101.3	73%	0.728	56%	0.56	S	S	*	*			trans	-131.7	117.8	163.5	-93.8	147	0	0	0	106.2	I60 L64	I60-L62 HydrophobicContact CG2-CD1 4.31Å; L62-L64 PolarHBondContact O-N 2.92Å
63	P	22.6	Very low	32.3	Very low	118 Å²	118	96.4 Å²	96.4	77%	0.766	52%	0.52	S	S	*	.			trans	-68.3	110.7	-175.4	25.3	-31	0	0	0	110.4
64	L	24.4	Very low	34.8	Very low	98 Å²	98	89.6 Å²	89.6	51%	0.513	49%	0.485	S	S	.	.			trans	-79.1	128.5	-179.3	-139.5	86.3	0	0	0	110.1	L62 F66 L183	L62-L64 PolarHBondContact O-N 2.92Å; L64-F66 HydrophobicContact CD2-CE2 4.44Å; L64-F66 HydrophobicContact CD2-CZ 4.47Å; L64-L183 HydrophobicContact CD2-CD2 4.11Å
65	V	24.4	Very low	37.6	Very low	53 Å²	53	80 Å²	80	32%	0.321	44%	0.443	S	S	.	.			trans	-109.1	112.5	-173.5	177.5	0	0	0	0	110.7	R102	V65-R102 VanDerWaalsContact C-NH1 3.32Å; V65-R102 HydrophobicContact CG1-CB 3.95Å; V65-R102 HydrophobicContact CG1-CG 3.57Å
66	F	31.2	Very low	40.2	Very low	36 Å²	36	71.7 Å²	71.7	16%	0.158	42%	0.418	C	S	.	.			trans	-85	120.7	173	-74.4	-88.4	0	0	0	117.4	L64 R102 F111 L183 I192 F195	L64-F66 HydrophobicContact CD2-CE2 4.44Å; L64-F66 HydrophobicContact CD2-CZ 4.47Å; F66-R102 VanDerWaalsContact CA-NH1 3.32Å; F66-R102 PolarHBondContact O-NH1 2.92Å; F66-F111 HydrophobicContact CB-CE1 4.34Å; F66-L183 HydrophobicContact CD1-CD1 4.02Å; F66-L183 HydrophobicContact CD1-CD2 4.41Å; F66-L183 HydrophobicContact CE1-CB 4.17Å; F66-L183 HydrophobicContact CE1-CD1 3.84Å; F66-L183 HydrophobicContact CE1-CD2 3.56Å; F66-L183 HydrophobicContact CE1-CG 4.03Å; F66-L183 HydrophobicContact CZ-CD2 3.74Å; F66-I192 HydrophobicContact CE1-CD1 3.48Å; F66-I192 VanDerWaalsContact CE1-CD1 3.48Å; F66-I192 HydrophobicContact CE1-CG1 4.09Å; F66-I192 HydrophobicContact CE1-CG2 3.99Å; F66-I192 HydrophobicContact CE2-CD1 4.29Å; F66-I192 HydrophobicContact CE2-CG1 4.17Å; F66-I192 HydrophobicContact CE2-CG2 4.43Å; F66-I192 HydrophobicContact CZ-CB 4.37Å; F66-I192 HydrophobicContact CZ-CD1 3.17Å; F66-I192 HydrophobicContact CZ-CG1 3.47Å; F66-I192 VanDerWaalsContact CZ-CG1 3.47Å; F66-I192 HydrophobicContact CZ-CG2 3.96Å; F66-F195 HydrophobicContact CD1-CD2 4.23Å; F66-F195 HydrophobicContact CD1-CE2 4.04Å; F66-F195 HydrophobicContact CE1-CD2 4.15Å; F66-F195 AromaticContact CE1-CE2 4Å; F66-F195 HydrophobicContact CE1-CE2 4Å
67	P	30.5	Very low	43.1	Very low	39 Å²	39	66.7 Å²	66.7	25%	0.253	38%	0.384	S	S	.	.			trans	-87.6	129.5	157.1	28.7	-23.9	0	0	0	110.4	G69 I142	P67-G69 PolarHBondContact O-N 3.49Å; P67-G69 VanDerWaalsContact O-N 3.16Å; P67-I142 HydrophobicContact CB-CD1 3.91Å; P67-I142 VanDerWaalsContact O-CD1 3.26Å; P67-I142 WeakPolarHBondContact O-CD1 3.02Å
68	A	33.7	Very low	45.8	Very low	41 Å²	41	61.8 Å²	61.8	34%	0.339	35%	0.349	S	S	.	.	S	Bend	trans	-89.3	82.2	-162.4	0	0	0	0	0	116	I142	A68-I142 WeakPolarHBondContact O-CB 3.37Å; A68-I142 WeakPolarHBondContact O-CG2 3.33Å
69	G	38.8	Very low	48.7	Very low	3 Å²	3	52 Å²	52	3%	0.031	31%	0.307	C	S	.	.	S	Bend	trans	161.7	-168.9	150.1	0	0	0	0	0	112.9	P67 S71 I142	P67-G69 PolarHBondContact O-N 3.49Å; P67-G69 VanDerWaalsContact O-N 3.16Å; G69-S71 PolarHBondContact O-N 3.48Å; G69-I142 VanDerWaalsContact N-CB 3.28Å; G69-I142 VanDerWaalsContact O-CD1 3.25Å; G69-I142 WeakPolarHBondContact O-CD1 3.45Å; G69-I142 WeakPolarHBondContact O-CG1 3.48Å
70	L	52.9	Low	51.6	Low	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.			trans	-53.9	107.1	-141	-68.8	-137.9	0	0	0	112.8	R39 M40 A73 K75 L172 C175 Y184 T196	R39-L70 VanDerWaalsContact C-CD1 3.45Å; R39-L70 WeakPolarHBondContact O-CD1 3.43Å; R39-L70 WeakPolarHBondContact O-CG 3.5Å; M40-L70 HydrophobicContact CB-CD1 4.15Å; M40-L70 HydrophobicContact CB-CD2 4.33Å; M40-L70 HydrophobicContact CG-CD1 3.69Å; M40-L70 HydrophobicContact CG-CD2 3.84Å; M40-L70 HydrophobicContact CG-CG 4.34Å; L70-A73 HydrophobicContact CB-CB 4.18Å; L70-A73 PolarHBondContact O-N 3.38Å; L70-K75 PolarHBondContact O-NZ 2.89Å; L70-L172 HydrophobicContact CD1-CD1 4.33Å; L70-C175 HydrophobicContact CD1-CB 4.07Å; L70-Y184 WeakPolarHBondContact CA-OH 3.19Å; L70-Y184 WeakPolarHBondContact CB-OH 3.49Å; L70-T196 VanDerWaalsContact CD2-O 3.3Å; L70-T196 WeakPolarHBondContact CD2-O 3.46Å
71	S	60.3	Low	54.4	Low	19 Å²	19	41.4 Å²	41.4	13%	0.133	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	136.8	168.8	-173	0	0	0	0	106.5	G69 A73 Y184	G69-S71 PolarHBondContact O-N 3.48Å; S71-A73 PolarHBondContact O-N 3.33Å; S71-Y184 PolarHBondContact N-OH 2.78Å; S71-Y184 WeakPolarHBondContact O-CE2 3.37Å; S71-Y184 PolarHBondContact O-OH 3.08Å
72	G	62.6	Low	57.3	Low	12 Å²	12	33.8 Å²	33.8	12%	0.124	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-0.4	178.6	0	0	0	0	0	117.4	G74 R178	G72-G74 VanDerWaalsContact C-N 3.25Å; G72-G74 PolarHBondContact O-N 2.99Å; G72-R178 WeakPolarHBondContact O-CD 3.16Å; G72-R178 PolarHBondContact O-NH1 3.23Å
73	A	69.3	Low	60.4	Low	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-68.9	-21.1	174.3	0	0	0	0	0	113.8	L70 S71 V168 A170 T214	L70-A73 HydrophobicContact CB-CB 4.18Å; L70-A73 PolarHBondContact O-N 3.38Å; S71-A73 PolarHBondContact O-N 3.33Å; A73-V168 HydrophobicContact CB-CG1 4.49Å; A73-V168 WeakPolarHBondContact O-CG1 3.26Å; A73-A170 HydrophobicContact CB-CB 4.28Å; A73-T214 PolarHBondContact O-OG1 2.64Å
74	G	74.9	Confident	63.2	Low	7 Å²	7	25.9 Å²	25.9	7%	0.072	16%	0.155	C	C	.	.	S	Bend	trans	113.4	0.1	174.8	0	0	0	0	0	116.1	G72 T76 T77 V78	G72-G74 VanDerWaalsContact C-N 3.25Å; G72-G74 PolarHBondContact O-N 2.99Å; G74-T76 PolarHBondContact O-N 3.14Å; G74-T77 WeakPolarHBondContact O-CB 3.4Å; G74-T77 PolarHBondContact O-N 3.27Å; G74-T77 VanDerWaalsContact O-N 3.11Å; G74-V78 WeakPolarHBondContact O-CG2 3.39Å; G74-V78 PolarHBondContact O-N 2.88Å
75	K	81.8	Confident	66.1	Low	12 Å²	12	23.9 Å²	23.9	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-51.3	-50.7	-178.8	-61.5	174.2	-70.8	-80.8	0	113.6	L36 L70 T77 V78 S79 S140 F141 I142 V168	L36-K75 HydrophobicContact CB-CB 4.36Å; L36-K75 HydrophobicContact CB-CG 4.27Å; L36-K75 WeakPolarHBondContact CD1-O 3.35Å; L70-K75 PolarHBondContact O-NZ 2.89Å; K75-T77 PolarHBondContact O-N 2.89Å; K75-V78 PolarHBondContact O-N 2.86Å; K75-S79 PolarHBondContact O-N 3.38Å; K75-S79 PolarHBondContact O-OG 3.18Å; K75-S140 PolarHBondContact O-OG 2.78Å; K75-F141 WeakPolarHBondContact CD-O 3.48Å; K75-I142 HydrophobicContact CD-CG1 4.39Å; K75-V168 HydrophobicContact CG-CB 4.06Å; K75-V168 HydrophobicContact CG-CG1 4.38Å; K75-V168 HydrophobicContact CG-CG2 3.97Å
76	T	78.7	Confident	68.9	Low	60 Å²	60	21.4 Å²	21.4	37%	0.368	13%	0.126	S	C	.	.	H	α-helix	trans	-62	-43.4	179.1	-51.3	0	0	0	0	111.2	G74 V78 S79 M80	G74-T76 PolarHBondContact O-N 3.14Å; T76-V78 VanDerWaalsContact C-N 3.35Å; T76-V78 PolarHBondContact O-N 2.88Å; T76-S79 WeakPolarHBondContact CA-OG 3.46Å; T76-S79 PolarHBondContact O-N 3.42Å; T76-S79 PolarHBondContact O-OG 2.85Å; T76-M80 HydrophobicContact CG2-CE 4.07Å; T76-M80 HydrophobicContact CG2-CG 4.33Å; T76-M80 WeakPolarHBondContact O-CB 3.33Å; T76-M80 WeakPolarHBondContact O-CG 3.11Å; T76-M80 PolarHBondContact O-N 3.33Å
77	T	81.6	Confident	71.4	Confident	22 Å²	22	19.9 Å²	19.9	14%	0.135	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-45	177.4	-53.5	0	0	0	0	111.5	G74 K75 A81 V219	G74-T77 WeakPolarHBondContact O-CB 3.4Å; G74-T77 PolarHBondContact O-N 3.27Å; G74-T77 VanDerWaalsContact O-N 3.11Å; K75-T77 PolarHBondContact O-N 2.89Å; T77-A81 WeakPolarHBondContact O-CB 3.48Å; T77-A81 PolarHBondContact O-N 3.16Å; T77-A81 VanDerWaalsContact O-N 3.09Å; T77-V219 HydrophobicContact CG2-CG1 4.37Å; T77-V219 HydrophobicContact CG2-CG2 3.84Å
78	V	81.8	Confident	73.7	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-44.4	179	173.1	0	0	0	0	111.5	L36 G74 K75 T76 M80 A81 L82 L212 C222 I223 L226	L36-V78 HydrophobicContact CD1-CB 4.42Å; L36-V78 HydrophobicContact CD1-CG1 4.26Å; L36-V78 HydrophobicContact CD2-CG1 4.36Å; G74-V78 WeakPolarHBondContact O-CG2 3.39Å; G74-V78 PolarHBondContact O-N 2.88Å; K75-V78 PolarHBondContact O-N 2.86Å; T76-V78 VanDerWaalsContact C-N 3.35Å; T76-V78 PolarHBondContact O-N 2.88Å; V78-M80 PolarHBondContact O-N 3.39Å; V78-A81 PolarHBondContact O-N 3.4Å; V78-L82 VanDerWaalsContact O-CB 3.3Å; V78-L82 WeakPolarHBondContact O-CB 3.49Å; V78-L82 PolarHBondContact O-N 3.42Å; V78-L212 HydrophobicContact CG1-CD1 4.02Å; V78-C222 HydrophobicContact CG2-CB 4.32Å; V78-I223 HydrophobicContact CG1-CD1 4.29Å; V78-L226 HydrophobicContact CG1-CD1 3.34Å
79	S	82.7	Confident	76	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-41.6	178.7	58.2	0	0	0	0	112.4	K75 T76 L82 E83 L138 S140	K75-S79 PolarHBondContact O-N 3.38Å; K75-S79 PolarHBondContact O-OG 3.18Å; T76-S79 WeakPolarHBondContact CA-OG 3.46Å; T76-S79 PolarHBondContact O-N 3.42Å; T76-S79 PolarHBondContact O-OG 2.85Å; S79-L82 PolarHBondContact O-N 2.93Å; S79-E83 VanDerWaalsContact O-CB 3.3Å; S79-E83 WeakPolarHBondContact O-CB 3.34Å; S79-E83 PolarHBondContact O-N 3.43Å; S79-L138 WeakPolarHBondContact O-CD1 3.38Å; S79-S140 PolarHBondContact OG-OG 3Å
80	M	82.5	Confident	77.9	Confident	18 Å²	18	23.2 Å²	23.2	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-42.4	179.5	-63.9	-54.7	156.6	0	0	111.9	H12 T76 V78 E83 E84 T95	H12-M80 WeakPolarHBondContact CE1-CE 3.36Å; H12-M80 PolarHBondContact CE1-SD 3.34Å; H12-M80 WeakPolarHBondContact NE2-CE 3.43Å; T76-M80 HydrophobicContact CG2-CE 4.07Å; T76-M80 HydrophobicContact CG2-CG 4.33Å; T76-M80 WeakPolarHBondContact O-CB 3.33Å; T76-M80 WeakPolarHBondContact O-CG 3.11Å; T76-M80 PolarHBondContact O-N 3.33Å; V78-M80 PolarHBondContact O-N 3.39Å; M80-E83 PolarHBondContact O-N 2.94Å; M80-E84 PolarHBondContact O-N 2.68Å; M80-T95 HydrophobicContact CE-CG2 4.21Å
81	A	82.5	Confident	79.3	Confident	25 Å²	25	23.5 Å²	23.5	21%	0.207	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-36.6	177.4	0	0	0	0	0	112	T77 V78 Y85 V219 I223	T77-A81 WeakPolarHBondContact O-CB 3.48Å; T77-A81 PolarHBondContact O-N 3.16Å; T77-A81 VanDerWaalsContact O-N 3.09Å; V78-A81 PolarHBondContact O-N 3.4Å; A81-Y85 WeakPolarHBondContact O-CB 3.48Å; A81-Y85 PolarHBondContact O-N 2.83Å; A81-V219 HydrophobicContact CB-CG1 3.95Å; A81-I223 HydrophobicContact CB-CD1 3.79Å; A81-I223 HydrophobicContact CB-CG1 3.88Å
82	L	84.9	Confident	80.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-41.9	173.4	-178.1	60.7	0	0	0	111.6	V78 S79 E84 Y85 L86 L138 I223 L226 V227 L230	V78-L82 VanDerWaalsContact O-CB 3.3Å; V78-L82 WeakPolarHBondContact O-CB 3.49Å; V78-L82 PolarHBondContact O-N 3.42Å; S79-L82 PolarHBondContact O-N 2.93Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.22Å; L82-Y85 WeakPolarHBondContact O-CB 3.49Å; L82-Y85 PolarHBondContact O-N 2.73Å; L82-L86 HydrophobicContact CD1-CD1 4.27Å; L82-L86 HydrophobicContact CD1-CG 4.12Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.29Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.47Å; L82-L138 HydrophobicContact CB-CD1 4.23Å; L82-L138 HydrophobicContact CD2-CD1 4.21Å; L82-L138 HydrophobicContact CD2-CD2 3.65Å; L82-L138 HydrophobicContact CG-CD1 4.19Å; L82-L138 HydrophobicContact CG-CD2 4.36Å; L82-I223 HydrophobicContact CB-CD1 3.88Å; L82-L226 HydrophobicContact CD1-CB 4.49Å; L82-L226 HydrophobicContact CD2-CD1 4.25Å; L82-V227 HydrophobicContact CD1-CG2 4.37Å; L82-L230 HydrophobicContact CD1-CD1 4.46Å
83	E	86.1	Confident	81.6	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.6	170.5	164.6	-152.5	0	0	111.6	V14 R19 S79 M80 L86 V87 T95 L138	V14-E83 HydrophobicContact CB-CG 4.31Å; V14-E83 HydrophobicContact CG2-CG 4.04Å; R19-E83 IonicContact CZ-OE1 3.32Å; R19-E83 IonicContact NE-OE1 3.33Å; R19-E83 PolarHBondContact NE-OE1 3.33Å; R19-E83 IonicContact NH2-OE1 2.79Å; R19-E83 PolarHBondContact NH2-OE1 3.11Å; R19-E83 IonicContact NH2-OE2 3.42Å; S79-E83 VanDerWaalsContact O-CB 3.3Å; S79-E83 WeakPolarHBondContact O-CB 3.34Å; S79-E83 PolarHBondContact O-N 3.43Å; M80-E83 PolarHBondContact O-N 2.94Å; E83-L86 PolarHBondContact O-N 2.96Å; E83-V87 WeakPolarHBondContact O-CB 3.16Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.27Å; E83-V87 PolarHBondContact O-N 3.19Å; E83-T95 PolarHBondContact OE2-OG1 3.33Å; E83-L138 HydrophobicContact CB-CD1 3.94Å
84	E	82.3	Confident	82.4	Confident	89 Å²	89	26.9 Å²	26.9	42%	0.416	15%	0.147	S	C	.	.	H	α-helix	trans	-60.7	-45.5	175.3	-177.2	170.3	-158.4	0	0	111.7	M80 L82 C88	M80-E84 PolarHBondContact O-N 2.68Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.22Å; E84-C88 VanDerWaalsContact O-CB 3.29Å; E84-C88 WeakPolarHBondContact O-CB 3.28Å; E84-C88 PolarHBondContact O-N 2.71Å; E84-C88 PolarHBondContact O-SG 3.15Å
85	Y	85.2	Confident	83	Confident	57 Å²	57	26.5 Å²	26.5	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-56.4	-54.9	175.5	177.9	-84.4	0	0	0	111.3	A81 L82 V87 C88 H89 I223 V227	A81-Y85 WeakPolarHBondContact O-CB 3.48Å; A81-Y85 PolarHBondContact O-N 2.83Å; L82-Y85 WeakPolarHBondContact O-CB 3.49Å; L82-Y85 PolarHBondContact O-N 2.73Å; Y85-V87 VanDerWaalsContact C-N 3.35Å; Y85-V87 PolarHBondContact O-N 3.08Å; Y85-C88 PolarHBondContact O-N 2.9Å; Y85-H89 AromaticContact CD1-ND1 3.88Å; Y85-H89 AromaticContact CD2-CE1 3.5Å; Y85-H89 AromaticContact CD2-ND1 3.81Å; Y85-H89 AromaticContact CE1-ND1 3.76Å; Y85-H89 AromaticContact CE2-CE1 3.18Å; Y85-H89 WeakPolarHBondContact CE2-CE1 3.34Å; Y85-H89 AromaticContact CE2-ND1 3.7Å; Y85-H89 AromaticContact CE2-NE2 3.71Å; Y85-H89 AromaticContact CG-ND1 3.88Å; Y85-H89 AromaticContact CZ-CE1 3.46Å; Y85-H89 VanDerWaalsContact CZ-CE1 3.46Å; Y85-H89 AromaticContact CZ-ND1 3.65Å; Y85-H89 AromaticContact CZ-NE2 3.73Å; Y85-H89 PolarHBondContact O-N 3.28Å; Y85-H89 PolarHBondContact O-ND1 3.48Å; Y85-I223 HydrophobicContact CD2-CG2 4.32Å; Y85-I223 HydrophobicContact CG-CG2 4.37Å; Y85-V227 HydrophobicContact CD1-CG2 3.64Å; Y85-V227 HydrophobicContact CD2-CG2 4.28Å; Y85-V227 HydrophobicContact CE1-CB 4.36Å; Y85-V227 HydrophobicContact CE1-CG1 3.98Å; Y85-V227 HydrophobicContact CE1-CG2 3.38Å; Y85-V227 HydrophobicContact CE2-CG2 4.03Å; Y85-V227 HydrophobicContact CG-CG2 4.11Å; Y85-V227 WeakPolarHBondContact OH-CG1 3.3Å
86	L	82.4	Confident	83.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-44.9	-176	-69.3	173	0	0	0	111.4	L82 E83 H89 G90 I91 C93 V136 V236	L82-L86 HydrophobicContact CD1-CD1 4.27Å; L82-L86 HydrophobicContact CD1-CG 4.12Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.29Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.47Å; E83-L86 PolarHBondContact O-N 2.96Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 PolarHBondContact O-N 3.08Å; L86-H89 VanDerWaalsContact O-N 3.16Å; L86-G90 PolarHBondContact O-N 3.48Å; L86-I91 CarbonylContact C-O 3.5Å; L86-I91 HydrophobicContact CB-CB 4.13Å; L86-I91 HydrophobicContact CB-CG2 4.45Å; L86-I91 HydrophobicContact CD2-CB 4.17Å; L86-I91 HydrophobicContact CD2-CD1 3.92Å; L86-I91 HydrophobicContact CD2-CG2 4.09Å; L86-I91 WeakPolarHBondContact O-CA 3.49Å; L86-I91 WeakPolarHBondContact O-CB 3.3Å; L86-I91 PolarHBondContact O-N 3.43Å; L86-C93 HydrophobicContact CB-CB 4.29Å; L86-C93 HydrophobicContact CD1-CB 3.84Å; L86-V136 HydrophobicContact CD1-CB 4.07Å; L86-V136 HydrophobicContact CD1-CG1 3.71Å; L86-V136 HydrophobicContact CD1-CG2 4.5Å; L86-V236 HydrophobicContact CD2-CG2 3.78Å
87	V	83.2	Confident	83.4	Confident	5 Å²	5	23.4 Å²	23.4	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-41.9	178	172.6	0	0	0	0	111.6	V14 K18 V22 E83 Y85 H89 G90	V14-V87 HydrophobicContact CG1-CB 4.47Å; V14-V87 HydrophobicContact CG1-CG1 4.2Å; V14-V87 HydrophobicContact CG1-CG2 3.94Å; K18-V87 HydrophobicContact CD-CG1 4.03Å; K18-V87 HydrophobicContact CG-CG1 3.78Å; V22-V87 HydrophobicContact CG1-CG1 4.22Å; V22-V87 WeakPolarHBondContact CG1-O 3.33Å; E83-V87 WeakPolarHBondContact O-CB 3.16Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.27Å; E83-V87 PolarHBondContact O-N 3.19Å; Y85-V87 VanDerWaalsContact C-N 3.35Å; Y85-V87 PolarHBondContact O-N 3.08Å; V87-H89 PolarHBondContact O-N 3.1Å; V87-G90 PolarHBondContact O-N 2.96Å; V87-G90 VanDerWaalsContact O-N 3.07Å
88	C	80.4	Confident	83.1	Confident	79 Å²	79	22.8 Å²	22.8	53%	0.534	12%	0.123	S	C	.	.	H	α-helix	trans	-63.4	-25.1	175.9	-73.2	0	0	0	0	112.7	E84 Y85	E84-C88 VanDerWaalsContact O-CB 3.29Å; E84-C88 WeakPolarHBondContact O-CB 3.28Å; E84-C88 PolarHBondContact O-N 2.71Å; E84-C88 PolarHBondContact O-SG 3.15Å; Y85-C88 PolarHBondContact O-N 2.9Å
89	H	80.1	Confident	82.6	Confident	62 Å²	62	26.1 Å²	26.1	29%	0.287	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	17.4	175.1	-63.9	77.3	0	0	0	112.9	R26 Y85 L86 V87 I91	R26-H89 PolarHBondContact NE-O 3.06Å; R26-H89 VanDerWaalsContact NE-O 3.08Å; R26-H89 PolarHBondContact NH1-O 3.08Å; R26-H89 VanDerWaalsContact NH1-O 3.09Å; R26-H89 PolarHBondContact NH2-O 3.43Å; Y85-H89 AromaticContact CD1-ND1 3.88Å; Y85-H89 AromaticContact CD2-CE1 3.5Å; Y85-H89 AromaticContact CD2-ND1 3.81Å; Y85-H89 AromaticContact CE1-ND1 3.76Å; Y85-H89 AromaticContact CE2-CE1 3.18Å; Y85-H89 WeakPolarHBondContact CE2-CE1 3.34Å; Y85-H89 AromaticContact CE2-ND1 3.7Å; Y85-H89 AromaticContact CE2-NE2 3.71Å; Y85-H89 AromaticContact CG-ND1 3.88Å; Y85-H89 AromaticContact CZ-CE1 3.46Å; Y85-H89 VanDerWaalsContact CZ-CE1 3.46Å; Y85-H89 AromaticContact CZ-ND1 3.65Å; Y85-H89 AromaticContact CZ-NE2 3.73Å; Y85-H89 PolarHBondContact O-N 3.28Å; Y85-H89 PolarHBondContact O-ND1 3.48Å; L86-H89 CarbonylContact O-C 3.59Å; L86-H89 PolarHBondContact O-N 3.08Å; L86-H89 VanDerWaalsContact O-N 3.16Å; V87-H89 PolarHBondContact O-N 3.1Å; H89-I91 VanDerWaalsContact C-N 3.29Å; H89-I91 PolarHBondContact O-N 3.15Å
90	G	79.3	Confident	82.5	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	23.6	175.3	0	0	0	0	0	114.5	T25 L86 V87 P92	T25-G90 PolarHBondContact OG1-O 3.12Å; L86-G90 PolarHBondContact O-N 3.48Å; V87-G90 PolarHBondContact O-N 2.96Å; V87-G90 VanDerWaalsContact O-N 3.07Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å
91	I	82.6	Confident	82.6	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.031	15%	0.153	C	C	.	.			trans	-103	111.8	177.2	-58.1	174.6	0	0	0	108.7	L86 H89 C93 V136 V236	L86-I91 CarbonylContact C-O 3.5Å; L86-I91 HydrophobicContact CB-CB 4.13Å; L86-I91 HydrophobicContact CB-CG2 4.45Å; L86-I91 HydrophobicContact CD2-CB 4.17Å; L86-I91 HydrophobicContact CD2-CD1 3.92Å; L86-I91 HydrophobicContact CD2-CG2 4.09Å; L86-I91 WeakPolarHBondContact O-CA 3.49Å; L86-I91 WeakPolarHBondContact O-CB 3.3Å; L86-I91 PolarHBondContact O-N 3.43Å; H89-I91 VanDerWaalsContact C-N 3.29Å; H89-I91 PolarHBondContact O-N 3.15Å; I91-C93 PolarHBondContact O-N 3.49Å; I91-V136 HydrophobicContact CG2-CG2 3.85Å; I91-V236 HydrophobicContact CD1-CB 4.2Å; I91-V236 HydrophobicContact CD1-CG1 4.04Å; I91-V236 HydrophobicContact CD1-CG2 3.78Å
92	P	84.9	Confident	82.4	Confident	29 Å²	29	29.1 Å²	29.1	19%	0.188	15%	0.15	C	C	.	.			trans	-63	126	176.3	-22.3	34.2	0	0	0	111.3	V22 V23 G90 L135 V136	V22-P92 HydrophobicContact CG2-CB 4.41Å; V22-P92 HydrophobicContact CG2-CG 4.21Å; V23-P92 HydrophobicContact CG2-CB 4.37Å; V23-P92 HydrophobicContact CG2-CG 4.41Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-L135 HydrophobicContact CB-CG 4.24Å; P92-V136 PolarHBondContact O-N 2.85Å
93	C	86	Confident	82.2	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	163.5	177.6	63.2	0	0	0	0	111.2	L86 I91 V136	L86-C93 HydrophobicContact CB-CB 4.29Å; L86-C93 HydrophobicContact CD1-CB 3.84Å; I91-C93 PolarHBondContact O-N 3.49Å; C93-V136 CarbonylContact C-O 3.59Å; C93-V136 WeakPolarHBondContact CA-O 3.44Å; C93-V136 HydrophobicContact CB-CB 3.86Å; C93-V136 HydrophobicContact CB-CG1 4.47Å; C93-V136 WeakPolarHBondContact CB-O 3.46Å
94	Y	86.9	Confident	82.2	Confident	70 Å²	70	37.4 Å²	37.4	28%	0.275	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.6	175.3	-163.1	-86.9	0	0	0	111	L96 F130 V136 C137 L138	Y94-L96 HydrophobicContact CD1-CD2 3.83Å; Y94-L96 HydrophobicContact CE1-CD2 3.94Å; Y94-F130 HydrophobicContact CD1-CE1 4.18Å; Y94-F130 HydrophobicContact CD1-CE2 4.37Å; Y94-F130 AromaticContact CD1-CZ 3.94Å; Y94-F130 HydrophobicContact CD1-CZ 3.94Å; Y94-F130 HydrophobicContact CD2-CE1 4.41Å; Y94-F130 HydrophobicContact CE1-CZ 4.29Å; Y94-F130 AromaticContact CG-CE1 3.95Å; Y94-F130 HydrophobicContact CG-CE1 3.95Å; Y94-F130 HydrophobicContact CG-CZ 4.17Å; Y94-V136 PolarHBondContact N-O 3.2Å; Y94-C137 WeakPolarHBondContact O-CA 3.44Å; Y94-L138 PolarHBondContact O-N 2.76Å
95	T	87.6	Confident	82.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.4	177.8	-56.4	0	0	0	0	111.1	M80 E83 D97 N100 L138	M80-T95 HydrophobicContact CE-CG2 4.21Å; E83-T95 PolarHBondContact OE2-OG1 3.33Å; T95-D97 HydrophobicContact CG2-CB 4.34Å; T95-N100 PolarHBondContact O-ND2 2.99Å; T95-L138 CarbonylContact C-O 3.39Å; T95-L138 WeakPolarHBondContact CA-O 3.43Å; T95-L138 HydrophobicContact CG2-CB 4.37Å
96	L	86.5	Confident	82.8	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.3	165.5	-54.6	-177.6	0	0	0	108.4	Y94 I101 I123 V126 A127 F130 C137 L138 S140 F141	Y94-L96 HydrophobicContact CD1-CD2 3.83Å; Y94-L96 HydrophobicContact CE1-CD2 3.94Å; L96-I101 HydrophobicContact CB-CG1 4.29Å; L96-I101 HydrophobicContact CD2-CD1 4.18Å; L96-I123 HydrophobicContact CD1-CG2 4.4Å; L96-V126 HydrophobicContact CD1-CB 4.28Å; L96-V126 HydrophobicContact CD1-CG1 3.85Å; L96-V126 HydrophobicContact CD2-CG1 4.14Å; L96-A127 HydrophobicContact CD1-CB 3.99Å; L96-F130 HydrophobicContact CD2-CD2 4.25Å; L96-F130 HydrophobicContact CD2-CE2 3.9Å; L96-C137 VanDerWaalsContact CD1-SG 3.53Å; L96-L138 PolarHBondContact N-O 2.77Å; L96-S140 PolarHBondContact O-N 3.02Å; L96-F141 VanDerWaalsContact C-CE2 3.49Å; L96-F141 HydrophobicContact CB-CE2 3.73Å; L96-F141 HydrophobicContact CB-CZ 4.12Å; L96-F141 WeakPolarHBondContact O-CE2 3.44Å
97	D	82.8	Confident	83.1	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	179.1	-178.9	66.6	24.2	0	0	0	112.1	H12 T95 D99 N100 I101 F141	H12-D97 IonicContact CE1-OD2 3.25Å; H12-D97 IonicContact NE2-OD2 3.78Å; H12-D97 PolarHBondContact NE2-OD2 3.49Å; T95-D97 HydrophobicContact CG2-CB 4.34Å; D97-D99 PolarHBondContact O-N 3.38Å; D97-D99 WeakPolarHBondContact OD1-CA 3.41Å; D97-D99 WeakPolarHBondContact OD1-CB 3.37Å; D97-D99 PolarHBondContact OD1-N 3.1Å; D97-N100 PolarHBondContact N-OD1 2.95Å; D97-N100 PolarHBondContact O-OD1 3.44Å; D97-N100 PolarHBondContact OD1-N 2.96Å; D97-N100 PolarHBondContact OD1-OD1 3.35Å; D97-I101 WeakPolarHBondContact O-CB 3.4Å; D97-I101 PolarHBondContact O-N 3.4Å; D97-I101 VanDerWaalsContact O-N 3.15Å; D97-F141 VanDerWaalsContact C-CE1 3.41Å; D97-F141 VanDerWaalsContact C-CZ 3.47Å; D97-F141 WeakPolarHBondContact O-CE1 3.49Å; D97-F141 WeakPolarHBondContact O-CZ 3.45Å
98	G	75	Confident	83.3	Confident	8 Å²	8	47.4 Å²	47.4	8%	0.082	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.5	178.5	0	0	0	0	0	114.1	R102	G98-R102 WeakPolarHBondContact O-CB 2.95Å
99	D	71.2	Confident	83.6	Confident	76 Å²	76	44.7 Å²	44.7	41%	0.406	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-39.6	-175.4	-63.3	-25.6	0	0	0	110.5	D97	D97-D99 PolarHBondContact O-N 3.38Å; D97-D99 WeakPolarHBondContact OD1-CA 3.41Å; D97-D99 WeakPolarHBondContact OD1-CB 3.37Å; D97-D99 PolarHBondContact OD1-N 3.1Å
100	N	79.5	Confident	83.4	Confident	50 Å²	50	43.3 Å²	43.3	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-88	-40.2	179.4	64.2	13.2	0	0	0	114.7	T95 D97	T95-N100 PolarHBondContact O-ND2 2.99Å; D97-N100 PolarHBondContact N-OD1 2.95Å; D97-N100 PolarHBondContact O-OD1 3.44Å; D97-N100 PolarHBondContact OD1-N 2.96Å; D97-N100 PolarHBondContact OD1-OD1 3.35Å
101	I	84.9	Confident	83.2	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-75.6	-39.7	-176.9	-71.4	-54.1	0	0	0	111.6	L96 D97 G104 L105 N106 I123 F141	L96-I101 HydrophobicContact CB-CG1 4.29Å; L96-I101 HydrophobicContact CD2-CD1 4.18Å; D97-I101 WeakPolarHBondContact O-CB 3.4Å; D97-I101 PolarHBondContact O-N 3.4Å; D97-I101 VanDerWaalsContact O-N 3.15Å; I101-G104 CarbonylContact O-C 3.55Å; I101-G104 PolarHBondContact O-N 3.12Å; I101-L105 PolarHBondContact O-N 3.38Å; I101-L105 VanDerWaalsContact O-N 3.16Å; I101-N106 HydrophobicContact CG2-CB 3.86Å; I101-N106 VanDerWaalsContact CG2-ND2 3.27Å; I101-N106 WeakPolarHBondContact CG2-ND2 3.21Å; I101-N106 PolarHBondContact O-N 3.41Å; I101-I123 HydrophobicContact CG1-CG1 4.49Å; I101-I123 HydrophobicContact CG2-CD1 4.31Å; I101-I123 HydrophobicContact CG2-CG1 3.93Å; I101-F141 HydrophobicContact CB-CE1 4.33Å; I101-F141 HydrophobicContact CB-CZ 4.06Å; I101-F141 HydrophobicContact CG1-CZ 3.81Å
102	R	78.9	Confident	83.1	Confident	43 Å²	43	50 Å²	50	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-75.6	-31.6	-167.3	-168.4	146	178.8	-140.3	11.1	114.5	V65 F66 G98 N106 K107	V65-R102 VanDerWaalsContact C-NH1 3.32Å; V65-R102 HydrophobicContact CG1-CB 3.95Å; V65-R102 HydrophobicContact CG1-CG 3.57Å; F66-R102 VanDerWaalsContact CA-NH1 3.32Å; F66-R102 PolarHBondContact O-NH1 2.92Å; G98-R102 WeakPolarHBondContact O-CB 2.95Å; R102-N106 CarbonylContact O-C 3.58Å; R102-K107 WeakPolarHBondContact O-CA 3.41Å; R102-K107 PolarHBondContact O-N 3.2Å
103	Q	80.2	Confident	82.8	Confident	139 Å²	139	52.2 Å²	52.2	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-85	-17.1	176.3	-59.4	-175.2	7.5	0	0	112.2
104	G	87.3	Confident	82.7	Confident	39 Å²	39	58 Å²	58	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-99.4	-179.6	0	0	0	0	0	112.7	I101 N106 K107	I101-G104 CarbonylContact O-C 3.55Å; I101-G104 PolarHBondContact O-N 3.12Å; G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.08Å; G104-K107 WeakPolarHBondContact O-CB 3.36Å; G104-K107 VanDerWaalsContact O-CG 3.3Å; G104-K107 WeakPolarHBondContact O-CG 3.41Å; G104-K107 PolarHBondContact O-N 3.15Å
105	L	88.7	Confident	82.6	Confident	86 Å²	86	57 Å²	57	45%	0.45	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.8	-171.6	-177.1	65.3	0	0	0	113.4	I101 R122 V126	I101-L105 PolarHBondContact O-N 3.38Å; I101-L105 VanDerWaalsContact O-N 3.16Å; L105-R122 HydrophobicContact CD2-CB 4.37Å; L105-R122 PolarHBondContact O-NH1 3.02Å; L105-V126 HydrophobicContact CD2-CG2 3.49Å; L105-V126 VanDerWaalsContact CD2-CG2 3.49Å
106	N	90.8	Very high	82.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.011	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	18.8	-174.5	-69.9	-2.7	0	0	0	113	I101 R102 G104 N108 L109 N119 R122	I101-N106 HydrophobicContact CG2-CB 3.86Å; I101-N106 VanDerWaalsContact CG2-ND2 3.27Å; I101-N106 WeakPolarHBondContact CG2-ND2 3.21Å; I101-N106 PolarHBondContact O-N 3.41Å; R102-N106 CarbonylContact O-C 3.58Å; G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.08Å; N106-N108 PolarHBondContact O-N 2.88Å; N106-L109 HydrophobicContact CB-CD1 3.97Å; N106-L109 HydrophobicContact CB-CG 4.43Å; N106-L109 PolarHBondContact O-N 3.34Å; N106-L109 VanDerWaalsContact O-N 3.13Å; N106-N119 PolarHBondContact ND2-O 2.93Å; N106-N119 PolarHBondContact ND2-OD1 2.76Å; N106-R122 WeakPolarHBondContact OD1-CD 3.39Å
107	K	87.8	Confident	82.2	Confident	165 Å²	165	63.3 Å²	63.3	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.6	-179.4	73.8	-176.3	-179.6	178.9	0	114.4	R102 G104	R102-K107 WeakPolarHBondContact O-CA 3.41Å; R102-K107 PolarHBondContact O-N 3.2Å; G104-K107 WeakPolarHBondContact O-CB 3.36Å; G104-K107 VanDerWaalsContact O-CG 3.3Å; G104-K107 WeakPolarHBondContact O-CG 3.41Å; G104-K107 PolarHBondContact O-N 3.15Å
108	N	88.5	Confident	82.5	Confident	108 Å²	108	65.4 Å²	65.4	58%	0.578	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.2	179.4	65.6	-29.3	0	0	0	113.7	N106 R122	N106-N108 PolarHBondContact O-N 2.88Å; N108-R122 PolarHBondContact OD1-NH1 3.38Å
109	L	85.4	Confident	83.2	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.11	35%	0.347	C	S	.	.			trans	-92.3	127.9	-178.9	-58.9	-178.9	0	0	0	110.1	N106 D115 E118 N119	N106-L109 HydrophobicContact CB-CD1 3.97Å; N106-L109 HydrophobicContact CB-CG 4.43Å; N106-L109 PolarHBondContact O-N 3.34Å; N106-L109 VanDerWaalsContact O-N 3.13Å; L109-D115 HydrophobicContact CB-CB 4.25Å; L109-E118 HydrophobicContact CD1-CB 4.34Å; L109-E118 HydrophobicContact CD1-CG 4.03Å; L109-E118 HydrophobicContact CD2-CB 4.38Å; L109-E118 HydrophobicContact CD2-CG 3.92Å; L109-N119 HydrophobicContact CD1-CB 3.73Å
110	G	77.2	Confident	83.9	Confident	33 Å²	33	63.3 Å²	63.3	34%	0.34	33%	0.329	S	S	.	.			trans	-82.7	-140.6	174.2	0	0	0	0	0	112.3	D115	G110-D115 WeakPolarHBondContact CA-OD2 3.42Å; G110-D115 PolarHBondContact N-OD2 2.64Å
111	F	74.1	Confident	84.5	Confident	116 Å²	116	65.3 Å²	65.3	51%	0.509	33%	0.333	S	S	.	.	S	Bend	trans	-123.9	5.9	-173.3	-63.6	-87.3	0	0	0	113.7	F66 R116	F66-F111 HydrophobicContact CB-CE1 4.34Å; F111-R116 PolarHBondContact O-NE 3.35Å
112	S	80	Confident	84.9	Confident	42 Å²	42	67.2 Å²	67.2	29%	0.294	34%	0.34	S	S	.	.	S	Bend	trans	-63.1	158.4	175.6	75.7	0	0	0	0	110.5	E114 D115 R116	S112-E114 VanDerWaalsContact CB-OE2 3.24Å; S112-E114 WeakPolarHBondContact CB-OE2 3.47Å; S112-E114 PolarHBondContact O-N 3.46Å; S112-E114 PolarHBondContact OG-OE2 3.34Å; S112-D115 PolarHBondContact O-N 2.85Å; S112-D115 PolarHBondContact OG-N 2.86Å; S112-D115 VanDerWaalsContact OG-N 3.14Å; S112-R116 WeakPolarHBondContact O-CG 3.49Å; S112-R116 PolarHBondContact O-N 3.32Å
113	P	78.8	Confident	85.5	Confident	76 Å²	76	65.2 Å²	65.2	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-51.6	-40.5	173.9	-27.3	36.5	0	0	0	112.9	R116 E117	P113-R116 PolarHBondContact O-N 3.29Å; P113-E117 PolarHBondContact O-N 3.19Å
114	E	84.3	Confident	85.9	Confident	125 Å²	125	58.6 Å²	58.6	58%	0.584	30%	0.301	S	S	*	.	H	α-helix	trans	-67.6	-42.8	-180	-55.7	72.1	-152.2	0	0	111.5	S112 R116 E117 E118	S112-E114 VanDerWaalsContact CB-OE2 3.24Å; S112-E114 WeakPolarHBondContact CB-OE2 3.47Å; S112-E114 PolarHBondContact O-N 3.46Å; S112-E114 PolarHBondContact OG-OE2 3.34Å; E114-R116 VanDerWaalsContact C-N 3.31Å; E114-R116 PolarHBondContact O-N 2.68Å; E114-E117 PolarHBondContact O-N 2.92Å; E114-E118 WeakPolarHBondContact O-CB 3.41Å; E114-E118 PolarHBondContact O-N 2.93Å
115	D	84.6	Confident	86.1	Confident	48 Å²	48	59.4 Å²	59.4	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-34.9	176.4	-77.6	-21.1	0	0	0	111.9	L109 G110 S112 N119	L109-D115 HydrophobicContact CB-CB 4.25Å; G110-D115 WeakPolarHBondContact CA-OD2 3.42Å; G110-D115 PolarHBondContact N-OD2 2.64Å; S112-D115 PolarHBondContact O-N 2.85Å; S112-D115 PolarHBondContact OG-N 2.86Å; S112-D115 VanDerWaalsContact OG-N 3.14Å; D115-N119 WeakPolarHBondContact O-CB 3.45Å; D115-N119 PolarHBondContact O-N 2.84Å
116	R	80.8	Confident	86.3	Confident	49 Å²	49	56.7 Å²	56.7	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-41	176.3	-70.5	176.2	-174.2	-152.9	-2.6	111.4	F111 S112 P113 E114 N119 I120 G194	F111-R116 PolarHBondContact O-NE 3.35Å; S112-R116 WeakPolarHBondContact O-CG 3.49Å; S112-R116 PolarHBondContact O-N 3.32Å; P113-R116 PolarHBondContact O-N 3.29Å; E114-R116 VanDerWaalsContact C-N 3.31Å; E114-R116 PolarHBondContact O-N 2.68Å; R116-N119 WeakPolarHBondContact O-CB 3.2Å; R116-N119 PolarHBondContact O-N 3.33Å; R116-I120 PolarHBondContact O-N 3.04Å; R116-G194 PolarHBondContact NH1-O 3.24Å; R116-G194 PolarHBondContact NH2-O 3.44Å; R116-G194 VanDerWaalsContact NH2-O 3.14Å
117	E	85.6	Confident	86.2	Confident	87 Å²	87	56.6 Å²	56.6	41%	0.407	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-50.1	175	-178.2	173.6	164.4	0	0	110.9	P113 E114 N119 I120 R121 R147	P113-E117 PolarHBondContact O-N 3.19Å; E114-E117 PolarHBondContact O-N 2.92Å; E117-N119 VanDerWaalsContact C-N 3.27Å; E117-N119 PolarHBondContact O-N 3.22Å; E117-I120 PolarHBondContact O-N 2.87Å; E117-I120 VanDerWaalsContact O-N 3.17Å; E117-R121 PolarHBondContact O-N 2.74Å; E117-R147 IonicContact OE2-CZ 2.72Å; E117-R147 IonicContact OE2-NH1 3.57Å; E117-R147 IonicContact OE2-NH2 3.71Å; E117-R147 PolarHBondContact OE2-NH2 2.71Å
118	E	90	Very high	86.4	Confident	47 Å²	47	52.7 Å²	52.7	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-35.5	177.3	177.3	59.8	-171.7	0	0	112	L109 E114 R121 R122	L109-E118 HydrophobicContact CD1-CB 4.34Å; L109-E118 HydrophobicContact CD1-CG 4.03Å; L109-E118 HydrophobicContact CD2-CB 4.38Å; L109-E118 HydrophobicContact CD2-CG 3.92Å; E114-E118 WeakPolarHBondContact O-CB 3.41Å; E114-E118 PolarHBondContact O-N 2.93Å; E118-R121 PolarHBondContact O-N 2.8Å; E118-R121 IonicContact OE1-CZ 3.28Å; E118-R121 IonicContact OE1-NE 3.05Å; E118-R121 IonicContact OE1-NH2 2.68Å; E118-R121 PolarHBondContact OE1-NH2 2.85Å; E118-R121 IonicContact OE2-CZ 2.74Å; E118-R121 IonicContact OE2-NE 2.95Å; E118-R121 PolarHBondContact OE2-NE 2.82Å; E118-R121 IonicContact OE2-NH2 2.74Å; E118-R121 PolarHBondContact OE2-NH2 2.99Å; E118-R122 HydrophobicContact CG-CG 4.44Å; E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 3.5Å; E118-R122 WeakPolarHBondContact OE1-CG 3.31Å; E118-R122 IonicContact OE1-CZ 3.53Å; E118-R122 IonicContact OE1-NE 2.76Å; E118-R122 PolarHBondContact OE1-NE 3.19Å; E118-R122 IonicContact OE1-NH2 3.41Å; E118-R122 PolarHBondContact OE1-NH2 3.02Å
119	N	87.8	Confident	86.3	Confident	33 Å²	33	52.1 Å²	52.1	18%	0.176	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-49.6	174.8	170.6	83.9	0	0	0	111.1	N106 L109 D115 R116 E117 I123	N106-N119 PolarHBondContact ND2-O 2.93Å; N106-N119 PolarHBondContact ND2-OD1 2.76Å; L109-N119 HydrophobicContact CD1-CB 3.73Å; D115-N119 WeakPolarHBondContact O-CB 3.45Å; D115-N119 PolarHBondContact O-N 2.84Å; R116-N119 WeakPolarHBondContact O-CB 3.2Å; R116-N119 PolarHBondContact O-N 3.33Å; E117-N119 VanDerWaalsContact C-N 3.27Å; E117-N119 PolarHBondContact O-N 3.22Å; N119-I123 WeakPolarHBondContact ND2-CD1 3.48Å; N119-I123 VanDerWaalsContact O-CD1 3.24Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.2Å; N119-I123 PolarHBondContact O-N 3.49Å; N119-I123 VanDerWaalsContact O-N 3.14Å
120	I	86.9	Confident	86.3	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-68.1	-39.6	179	-61.2	-58.1	0	0	0	111.3	W35 R116 E117 R122 I123 A124 F141 D148	W35-I120 HydrophobicContact CH2-CG2 4.08Å; W35-I120 HydrophobicContact CZ2-CD1 4.47Å; W35-I120 HydrophobicContact CZ2-CG2 3.89Å; R116-I120 PolarHBondContact O-N 3.04Å; E117-I120 PolarHBondContact O-N 2.87Å; E117-I120 VanDerWaalsContact O-N 3.17Å; I120-R122 PolarHBondContact O-N 2.91Å; I120-I123 HydrophobicContact CD1-CD1 4.34Å; I120-I123 PolarHBondContact O-N 2.8Å; I120-A124 WeakPolarHBondContact O-CB 3.42Å; I120-A124 PolarHBondContact O-N 3.3Å; I120-F141 HydrophobicContact CD1-CB 4.34Å; I120-D148 HydrophobicContact CB-CB 4.25Å; I120-D148 HydrophobicContact CG2-CB 3.8Å
121	R	92.6	Very high	86.4	Confident	92 Å²	92	52.2 Å²	52.2	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-47.3	176.3	-166.1	-161.1	66.4	74	3.1	111.9	E117 E118 I123 A124 E125	E117-R121 PolarHBondContact O-N 2.74Å; E118-R121 PolarHBondContact O-N 2.8Å; E118-R121 IonicContact OE1-CZ 3.28Å; E118-R121 IonicContact OE1-NE 3.05Å; E118-R121 IonicContact OE1-NH2 2.68Å; E118-R121 PolarHBondContact OE1-NH2 2.85Å; E118-R121 IonicContact OE2-CZ 2.74Å; E118-R121 IonicContact OE2-NE 2.95Å; E118-R121 PolarHBondContact OE2-NE 2.82Å; E118-R121 IonicContact OE2-NH2 2.74Å; E118-R121 PolarHBondContact OE2-NH2 2.99Å; R121-I123 PolarHBondContact O-N 3.01Å; R121-A124 PolarHBondContact O-N 3.36Å; R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 2.83Å
122	R	93.3	Very high	86.6	Confident	53 Å²	53	51.3 Å²	51.3	20%	0.2	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.8	-73.4	-178	-174	173.6	15.6	112.4	L105 N106 N108 E118 I120 A124 E125 V126	L105-R122 HydrophobicContact CD2-CB 4.37Å; L105-R122 PolarHBondContact O-NH1 3.02Å; N106-R122 WeakPolarHBondContact OD1-CD 3.39Å; N108-R122 PolarHBondContact OD1-NH1 3.38Å; E118-R122 HydrophobicContact CG-CG 4.44Å; E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 3.5Å; E118-R122 WeakPolarHBondContact OE1-CG 3.31Å; E118-R122 IonicContact OE1-CZ 3.53Å; E118-R122 IonicContact OE1-NE 2.76Å; E118-R122 PolarHBondContact OE1-NE 3.19Å; E118-R122 IonicContact OE1-NH2 3.41Å; E118-R122 PolarHBondContact OE1-NH2 3.02Å; I120-R122 PolarHBondContact O-N 2.91Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.45Å; R122-E125 PolarHBondContact O-N 3.17Å; R122-V126 VanDerWaalsContact O-CG2 3.31Å; R122-V126 WeakPolarHBondContact O-CG2 3.3Å; R122-V126 PolarHBondContact O-N 3.26Å
123	I	90.8	Very high	86.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-43.5	176.6	-68.8	159.3	0	0	0	110.4	W35 L96 I101 N119 I120 R121 E125 V126 A127 F141	W35-I123 HydrophobicContact CH2-CB 4.12Å; W35-I123 HydrophobicContact CH2-CG2 3.5Å; W35-I123 VanDerWaalsContact CH2-CG2 3.5Å; W35-I123 HydrophobicContact CZ2-CG2 4.45Å; W35-I123 HydrophobicContact CZ3-CG2 3.75Å; L96-I123 HydrophobicContact CD1-CG2 4.4Å; I101-I123 HydrophobicContact CG1-CG1 4.49Å; I101-I123 HydrophobicContact CG2-CD1 4.31Å; I101-I123 HydrophobicContact CG2-CG1 3.93Å; N119-I123 WeakPolarHBondContact ND2-CD1 3.48Å; N119-I123 VanDerWaalsContact O-CD1 3.24Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.2Å; N119-I123 PolarHBondContact O-N 3.49Å; N119-I123 VanDerWaalsContact O-N 3.14Å; I120-I123 HydrophobicContact CD1-CD1 4.34Å; I120-I123 PolarHBondContact O-N 2.8Å; R121-I123 PolarHBondContact O-N 3.01Å; I123-E125 PolarHBondContact O-N 3.21Å; I123-V126 PolarHBondContact O-N 3.18Å; I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 2.83Å; I123-F141 HydrophobicContact CB-CE2 4.32Å; I123-F141 HydrophobicContact CD1-CD1 3.51Å; I123-F141 HydrophobicContact CD1-CD2 3.87Å; I123-F141 HydrophobicContact CD1-CE1 3.4Å; I123-F141 HydrophobicContact CD1-CE2 3.76Å; I123-F141 HydrophobicContact CD1-CG 3.74Å; I123-F141 HydrophobicContact CD1-CZ 3.54Å; I123-F141 HydrophobicContact CG1-CD2 4.46Å; I123-F141 HydrophobicContact CG1-CE1 4.22Å; I123-F141 HydrophobicContact CG1-CE2 4Å; I123-F141 HydrophobicContact CG1-CZ 3.87Å; I123-F141 HydrophobicContact CG2-CD2 3.6Å; I123-F141 HydrophobicContact CG2-CE2 3.35Å; I123-F141 HydrophobicContact CG2-CG 4.49Å; I123-F141 HydrophobicContact CG2-CZ 4.09Å
124	A	88.5	Confident	86.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-43.4	178.3	0	0	0	0	0	112.4	W35 I120 R121 R122 A127 R128 A152 I155 H156	W35-A124 HydrophobicContact CH2-CB 4.43Å; W35-A124 HydrophobicContact CZ3-CB 4.32Å; I120-A124 WeakPolarHBondContact O-CB 3.42Å; I120-A124 PolarHBondContact O-N 3.3Å; R121-A124 PolarHBondContact O-N 3.36Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.45Å; A124-A127 PolarHBondContact O-N 3.1Å; A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.45Å; A124-A152 HydrophobicContact CB-CB 3.54Å; A124-I155 HydrophobicContact CB-CD1 4.11Å; A124-H156 PolarHBondContact O-CE1 3.12Å
125	E	92.4	Very high	86.5	Confident	56 Å²	56	46.2 Å²	46.2	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-42.6	176.3	-68.4	-69.3	-177.6	0	0	112.3	R121 R122 I123 R128 L129	R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 2.83Å; R122-E125 PolarHBondContact O-N 3.17Å; I123-E125 PolarHBondContact O-N 3.21Å; E125-R128 WeakPolarHBondContact O-CB 3.43Å; E125-R128 PolarHBondContact O-N 3.44Å; E125-R128 IonicContact OE2-CZ 2.77Å; E125-R128 IonicContact OE2-NE 3.5Å; E125-R128 IonicContact OE2-NH1 3.11Å; E125-R128 IonicContact OE2-NH2 3.46Å; E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 3.27Å
126	V	92.6	Very high	86.7	Confident	29 Å²	29	44 Å²	44	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-43	176.4	174	0	0	0	0	110.8	L96 L105 R122 I123 R128 L129 F130	L96-V126 HydrophobicContact CD1-CB 4.28Å; L96-V126 HydrophobicContact CD1-CG1 3.85Å; L96-V126 HydrophobicContact CD2-CG1 4.14Å; L105-V126 HydrophobicContact CD2-CG2 3.49Å; L105-V126 VanDerWaalsContact CD2-CG2 3.49Å; R122-V126 VanDerWaalsContact O-CG2 3.31Å; R122-V126 WeakPolarHBondContact O-CG2 3.3Å; R122-V126 PolarHBondContact O-N 3.26Å; I123-V126 PolarHBondContact O-N 3.18Å; V126-R128 VanDerWaalsContact C-N 3.29Å; V126-R128 PolarHBondContact O-N 3.09Å; V126-L129 WeakPolarHBondContact O-CB 3.38Å; V126-L129 PolarHBondContact O-N 3Å; V126-L129 VanDerWaalsContact O-N 3.11Å; V126-F130 HydrophobicContact CG1-CD2 3.73Å; V126-F130 HydrophobicContact CG1-CE2 3.6Å; V126-F130 VanDerWaalsContact O-CD2 3.3Å; V126-F130 WeakPolarHBondContact O-CD2 3.3Å; V126-F130 PolarHBondContact O-N 2.76Å
127	A	89.1	Confident	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-42	176.3	0	0	0	0	0	111.4	T33 L96 I123 A124 L129 F130 A131 C137	T33-A127 HydrophobicContact CG2-CB 3.85Å; T33-A127 PolarHBondContact OG1-O 2.85Å; L96-A127 HydrophobicContact CD1-CB 3.99Å; I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 2.83Å; A124-A127 PolarHBondContact O-N 3.1Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 2.96Å; A127-F130 PolarHBondContact O-N 3.27Å; A127-A131 PolarHBondContact O-N 3.06Å; A127-C137 VanDerWaalsContact CA-SG 3.56Å; A127-C137 HydrophobicContact CB-CB 4.47Å
128	R	90.6	Very high	87.4	Confident	82 Å²	82	37.5 Å²	37.5	31%	0.309	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-44.7	173.1	-169.2	-160.1	70.9	176.4	0.6	111.3	A124 E125 V126 F130 A131 D132 I155 H156 A159 L161	A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.45Å; E125-R128 WeakPolarHBondContact O-CB 3.43Å; E125-R128 PolarHBondContact O-N 3.44Å; E125-R128 IonicContact OE2-CZ 2.77Å; E125-R128 IonicContact OE2-NE 3.5Å; E125-R128 IonicContact OE2-NH1 3.11Å; E125-R128 IonicContact OE2-NH2 3.46Å; V126-R128 VanDerWaalsContact C-N 3.29Å; V126-R128 PolarHBondContact O-N 3.09Å; R128-F130 VanDerWaalsContact C-N 3.35Å; R128-F130 PolarHBondContact O-N 3.41Å; R128-A131 PolarHBondContact O-N 3.14Å; R128-D132 VanDerWaalsContact O-CB 3.26Å; R128-D132 WeakPolarHBondContact O-CB 3.25Å; R128-D132 PolarHBondContact O-N 3.45Å; R128-I155 HydrophobicContact CB-CG2 4.07Å; R128-I155 HydrophobicContact CG-CG2 4.19Å; R128-H156 WeakPolarHBondContact CA-NE2 3.29Å; R128-H156 PolarHBondContact N-NE2 3.34Å; R128-A159 HydrophobicContact CG-CB 4.47Å; R128-L161 HydrophobicContact CG-CD1 3.61Å
129	L	87.5	Confident	87.3	Confident	97 Å²	97	35.3 Å²	35.3	51%	0.508	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-36.9	177.9	-68.8	173.6	0	0	0	112.8	E125 V126 A127 A133	E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 3.27Å; V126-L129 WeakPolarHBondContact O-CB 3.38Å; V126-L129 PolarHBondContact O-N 3Å; V126-L129 VanDerWaalsContact O-N 3.11Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-L129 PolarHBondContact O-N 2.96Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3Å; L129-A133 PolarHBondContact O-N 3.31Å
130	F	85.6	Confident	87.2	Confident	55 Å²	55	34 Å²	34	24%	0.241	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-41.2	174.6	-85	-76.7	0	0	0	112.1	Y94 L96 V126 A127 R128 A133 G134 L135 C137	Y94-F130 HydrophobicContact CD1-CE1 4.18Å; Y94-F130 HydrophobicContact CD1-CE2 4.37Å; Y94-F130 AromaticContact CD1-CZ 3.94Å; Y94-F130 HydrophobicContact CD1-CZ 3.94Å; Y94-F130 HydrophobicContact CD2-CE1 4.41Å; Y94-F130 HydrophobicContact CE1-CZ 4.29Å; Y94-F130 AromaticContact CG-CE1 3.95Å; Y94-F130 HydrophobicContact CG-CE1 3.95Å; Y94-F130 HydrophobicContact CG-CZ 4.17Å; L96-F130 HydrophobicContact CD2-CD2 4.25Å; L96-F130 HydrophobicContact CD2-CE2 3.9Å; V126-F130 HydrophobicContact CG1-CD2 3.73Å; V126-F130 HydrophobicContact CG1-CE2 3.6Å; V126-F130 VanDerWaalsContact O-CD2 3.3Å; V126-F130 WeakPolarHBondContact O-CD2 3.3Å; V126-F130 PolarHBondContact O-N 2.76Å; A127-F130 PolarHBondContact O-N 3.27Å; R128-F130 VanDerWaalsContact C-N 3.35Å; R128-F130 PolarHBondContact O-N 3.41Å; F130-A133 PolarHBondContact O-N 3.46Å; F130-G134 PolarHBondContact O-N 2.69Å; F130-L135 HydrophobicContact CD1-CD2 4.17Å; F130-L135 PolarHBondContact O-N 3.25Å; F130-C137 HydrophobicContact CB-CB 3.79Å
131	A	78	Confident	86.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-44.1	173.1	0	0	0	0	0	111.2	F29 G31 A127 R128 A133 G134 L161	F29-A131 VanDerWaalsContact CZ-O 3.22Å; F29-A131 WeakPolarHBondContact CZ-O 3.27Å; G31-A131 VanDerWaalsContact CA-O 3.26Å; G31-A131 WeakPolarHBondContact CA-O 3.5Å; A127-A131 PolarHBondContact O-N 3.06Å; R128-A131 PolarHBondContact O-N 3.14Å; A131-A133 PolarHBondContact O-N 3.11Å; A131-G134 WeakPolarHBondContact O-CA 3.27Å; A131-G134 PolarHBondContact O-N 2.74Å; A131-L161 HydrophobicContact CB-CD1 4.12Å; A131-L161 HydrophobicContact CB-CD2 4.37Å
132	D	77.9	Confident	85.9	Confident	97 Å²	97	30 Å²	30	52%	0.519	16%	0.162	S	C	.	.	H	α-helix	trans	-62.2	-30.2	174.9	-169.5	55.3	0	0	0	112.5	F29 R128 G134 L161	F29-D132 WeakPolarHBondContact CE2-O 3.14Å; F29-D132 WeakPolarHBondContact CZ-O 3.37Å; R128-D132 VanDerWaalsContact O-CB 3.26Å; R128-D132 WeakPolarHBondContact O-CB 3.25Å; R128-D132 PolarHBondContact O-N 3.45Å; D132-G134 PolarHBondContact O-N 2.87Å; D132-L161 HydrophobicContact CB-CD1 4.06Å
133	A	80.3	Confident	85.1	Confident	70 Å²	70	27.5 Å²	27.5	58%	0.579	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.2	172.6	0	0	0	0	0	113.9	L129 F130 A131 L135	L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3Å; L129-A133 PolarHBondContact O-N 3.31Å; F130-A133 PolarHBondContact O-N 3.46Å; A131-A133 PolarHBondContact O-N 3.11Å; A133-L135 HydrophobicContact CB-CD1 3.91Å
134	G	76.7	Confident	84.3	Confident	24 Å²	24	28 Å²	28	25%	0.247	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	11.6	178.4	0	0	0	0	0	115.3	F130 A131 D132	F130-G134 PolarHBondContact O-N 2.69Å; A131-G134 WeakPolarHBondContact O-CA 3.27Å; A131-G134 PolarHBondContact O-N 2.74Å; D132-G134 PolarHBondContact O-N 2.87Å
135	L	84.5	Confident	84.1	Confident	42 Å²	42	30.3 Å²	30.3	22%	0.22	16%	0.164	C	C	.	.			trans	-94.3	151	176.8	-72	82.1	0	0	0	111.3	G31 C32 P92 F130 A133 C137	G31-L135 WeakPolarHBondContact CA-O 3.47Å; C32-L135 PolarHBondContact N-O 2.97Å; P92-L135 HydrophobicContact CB-CG 4.24Å; F130-L135 HydrophobicContact CD1-CD2 4.17Å; F130-L135 PolarHBondContact O-N 3.25Å; A133-L135 HydrophobicContact CB-CD1 3.91Å; L135-C137 PolarHBondContact O-N 2.84Å
136	V	88.5	Confident	83.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	110	163.6	179.2	0	0	0	0	108.7	V34 L86 I91 P92 C93 Y94 L138 I235	V34-V136 HydrophobicContact CG2-CG1 4.33Å; L86-V136 HydrophobicContact CD1-CB 4.07Å; L86-V136 HydrophobicContact CD1-CG1 3.71Å; L86-V136 HydrophobicContact CD1-CG2 4.5Å; I91-V136 HydrophobicContact CG2-CG2 3.85Å; P92-V136 PolarHBondContact O-N 2.85Å; C93-V136 CarbonylContact C-O 3.59Å; C93-V136 WeakPolarHBondContact CA-O 3.44Å; C93-V136 HydrophobicContact CB-CB 3.86Å; C93-V136 HydrophobicContact CB-CG1 4.47Å; C93-V136 WeakPolarHBondContact CB-O 3.46Å; Y94-V136 PolarHBondContact N-O 3.2Å; V136-L138 HydrophobicContact CG1-CD2 3.81Å; V136-I235 HydrophobicContact CG2-CG2 3.91Å
137	C	90.8	Very high	83.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.8	177.2	-175.2	0	0	0	0	110.7	C32 T33 V34 Y94 L96 A127 F130 L135	C32-C137 PolarHBondContact O-N 3.12Å; T33-C137 CarbonylContact C-O 3.52Å; T33-C137 WeakPolarHBondContact CA-O 3.48Å; V34-C137 PolarHBondContact N-O 3.34Å; Y94-C137 WeakPolarHBondContact O-CA 3.44Å; L96-C137 VanDerWaalsContact CD1-SG 3.53Å; A127-C137 VanDerWaalsContact CA-SG 3.56Å; A127-C137 HydrophobicContact CB-CB 4.47Å; F130-C137 HydrophobicContact CB-CB 3.79Å; L135-C137 PolarHBondContact O-N 2.84Å
138	L	90.4	Very high	83.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.4	176.8	-52.7	-177.2	0	0	0	109.7	V34 S79 L82 E83 Y94 T95 L96 V136	V34-L138 HydrophobicContact CB-CD2 3.72Å; V34-L138 HydrophobicContact CG1-CD2 4.41Å; V34-L138 HydrophobicContact CG2-CD2 3.98Å; S79-L138 WeakPolarHBondContact O-CD1 3.38Å; L82-L138 HydrophobicContact CB-CD1 4.23Å; L82-L138 HydrophobicContact CD2-CD1 4.21Å; L82-L138 HydrophobicContact CD2-CD2 3.65Å; L82-L138 HydrophobicContact CG-CD1 4.19Å; L82-L138 HydrophobicContact CG-CD2 4.36Å; E83-L138 HydrophobicContact CB-CD1 3.94Å; Y94-L138 PolarHBondContact O-N 2.76Å; T95-L138 CarbonylContact C-O 3.39Å; T95-L138 WeakPolarHBondContact CA-O 3.43Å; T95-L138 HydrophobicContact CG2-CB 4.37Å; L96-L138 PolarHBondContact N-O 2.77Å; V136-L138 HydrophobicContact CG1-CD2 3.81Å
139	A	88.4	Confident	83.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.3	178.6	0	0	0	0	0	110.6	V34 W35 L36 F141	V34-A139 PolarHBondContact O-N 2.71Å; W35-A139 HydrophobicContact CD2-CB 3.81Å; W35-A139 HydrophobicContact CE3-CB 3.42Å; W35-A139 VanDerWaalsContact CE3-CB 3.42Å; W35-A139 HydrophobicContact CG-CB 4.36Å; W35-A139 HydrophobicContact CH2-CB 4.5Å; W35-A139 HydrophobicContact CZ3-CB 3.82Å; L36-A139 PolarHBondContact N-O 3.13Å; A139-F141 HydrophobicContact CB-CD2 4.14Å; A139-F141 HydrophobicContact CB-CE2 4.38Å
140	S	86.1	Confident	83.5	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	64.5	-176.7	-158.5	0	0	0	0	111.2	K75 S79 L96	K75-S140 PolarHBondContact O-OG 2.78Å; S79-S140 PolarHBondContact OG-OG 3Å; L96-S140 PolarHBondContact O-N 3.02Å
141	F	80.9	Confident	83.8	Confident	10 Å²	10	30.8 Å²	30.8	4%	0.044	17%	0.168	C	C	.	.			trans	-115.1	-176	176.3	-59	-84.9	0	0	0	109.3	K75 L96 D97 I101 I120 I123 A139	K75-F141 WeakPolarHBondContact CD-O 3.48Å; L96-F141 VanDerWaalsContact C-CE2 3.49Å; L96-F141 HydrophobicContact CB-CE2 3.73Å; L96-F141 HydrophobicContact CB-CZ 4.12Å; L96-F141 WeakPolarHBondContact O-CE2 3.44Å; D97-F141 VanDerWaalsContact C-CE1 3.41Å; D97-F141 VanDerWaalsContact C-CZ 3.47Å; D97-F141 WeakPolarHBondContact O-CE1 3.49Å; D97-F141 WeakPolarHBondContact O-CZ 3.45Å; I101-F141 HydrophobicContact CB-CE1 4.33Å; I101-F141 HydrophobicContact CB-CZ 4.06Å; I101-F141 HydrophobicContact CG1-CZ 3.81Å; I120-F141 HydrophobicContact CD1-CB 4.34Å; I123-F141 HydrophobicContact CB-CE2 4.32Å; I123-F141 HydrophobicContact CD1-CD1 3.51Å; I123-F141 HydrophobicContact CD1-CD2 3.87Å; I123-F141 HydrophobicContact CD1-CE1 3.4Å; I123-F141 HydrophobicContact CD1-CE2 3.76Å; I123-F141 HydrophobicContact CD1-CG 3.74Å; I123-F141 HydrophobicContact CD1-CZ 3.54Å; I123-F141 HydrophobicContact CG1-CD2 4.46Å; I123-F141 HydrophobicContact CG1-CE1 4.22Å; I123-F141 HydrophobicContact CG1-CE2 4Å; I123-F141 HydrophobicContact CG1-CZ 3.87Å; I123-F141 HydrophobicContact CG2-CD2 3.6Å; I123-F141 HydrophobicContact CG2-CE2 3.35Å; I123-F141 HydrophobicContact CG2-CG 4.49Å; I123-F141 HydrophobicContact CG2-CZ 4.09Å; A139-F141 HydrophobicContact CB-CD2 4.14Å; A139-F141 HydrophobicContact CB-CE2 4.38Å
142	I	71.8	Confident	84.3	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	17%	0.168	C	C	.	.			trans	-99.6	-41.3	174.6	-65.8	102.3	0	0	0	112	T37 P67 A68 G69 K75 P144 Y202	T37-I142 WeakPolarHBondContact CB-O 3.39Å; T37-I142 PolarHBondContact OG1-O 3.49Å; P67-I142 HydrophobicContact CB-CD1 3.91Å; P67-I142 VanDerWaalsContact O-CD1 3.26Å; P67-I142 WeakPolarHBondContact O-CD1 3.02Å; A68-I142 WeakPolarHBondContact O-CB 3.37Å; A68-I142 WeakPolarHBondContact O-CG2 3.33Å; G69-I142 VanDerWaalsContact N-CB 3.28Å; G69-I142 VanDerWaalsContact O-CD1 3.25Å; G69-I142 WeakPolarHBondContact O-CD1 3.45Å; G69-I142 WeakPolarHBondContact O-CG1 3.48Å; K75-I142 HydrophobicContact CD-CG1 4.39Å; I142-P144 HydrophobicContact CG2-CB 4.2Å; I142-Y202 HydrophobicContact CG2-CD2 4Å; I142-Y202 HydrophobicContact CG2-CE2 3.94Å
143	S	76.1	Confident	84.8	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	15%	0.148	C	C	.	.			trans	44.4	69	-177.5	55.8	0	0	0	0	111.5	W35 Y145 R149	W35-S143 PolarHBondContact NE1-OG 3.26Å; S143-Y145 VanDerWaalsContact C-N 3.29Å; S143-Y145 PolarHBondContact O-N 2.92Å; S143-R149 WeakPolarHBondContact O-CD 3.3Å; S143-R149 PolarHBondContact O-NH1 3.4Å; S143-R149 WeakPolarHBondContact OG-CD 3.15Å; S143-R149 WeakPolarHBondContact OG-CG 3.49Å
144	P	74	Confident	85.4	Confident	9 Å²	9	30.4 Å²	30.4	6%	0.058	15%	0.148	C	C	.	.			trans	-69.5	-24.9	-167.4	28	-35.4	0	0	0	113.9	I142 R149 T196 Y202 E203	I142-P144 HydrophobicContact CG2-CB 4.2Å; P144-R149 PolarHBondContact O-NH1 3.43Å; P144-T196 HydrophobicContact CB-CG2 3.94Å; P144-Y202 HydrophobicContact CB-CD2 3.86Å; P144-E203 PolarHBondContact O-N 3.24Å
145	Y	83.4	Confident	86.1	Confident	51 Å²	51	30.4 Å²	30.4	20%	0.2	14%	0.142	C	C	.	.	S	Bend	trans	-94.6	133.5	-177.9	-52	-58.5	0	0	0	111.1	S143 R147 D148 R149	S143-Y145 VanDerWaalsContact C-N 3.29Å; S143-Y145 PolarHBondContact O-N 2.92Å; Y145-R147 VanDerWaalsContact C-N 3.27Å; Y145-R147 PolarHBondContact O-N 2.76Å; Y145-D148 WeakPolarHBondContact CD2-OD2 3.32Å; Y145-D148 PolarHBondContact O-N 3.39Å; Y145-R149 PolarHBondContact O-N 2.82Å
146	S	85.1	Confident	86.3	Confident	26 Å²	26	28.4 Å²	28.4	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-37.1	179.8	-49	0	0	0	0	111	D148 R149 L150 E203	S146-D148 VanDerWaalsContact C-N 3.25Å; S146-D148 PolarHBondContact O-N 3.03Å; S146-R149 PolarHBondContact O-N 3.12Å; S146-R149 PolarHBondContact OG-NH2 3.41Å; S146-L150 WeakPolarHBondContact O-CB 3.37Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.31Å; S146-L150 PolarHBondContact O-N 2.97Å; S146-E203 WeakPolarHBondContact CA-OE2 3.33Å; S146-E203 WeakPolarHBondContact CB-OE2 3.38Å; S146-E203 PolarHBondContact N-OE2 3.18Å; S146-E203 WeakPolarHBondContact OG-CB 3.36Å; S146-E203 PolarHBondContact OG-OE2 2.86Å
147	R	90.6	Very high	86.3	Confident	132 Å²	132	33.4 Å²	33.4	50%	0.498	16%	0.155	S	C	.	.	H	α-helix	trans	-55.9	-40.9	176.7	78.7	-173.4	-177.4	164.3	3.9	112.1	E117 Y145 N151	E117-R147 IonicContact OE2-CZ 2.72Å; E117-R147 IonicContact OE2-NH1 3.57Å; E117-R147 IonicContact OE2-NH2 3.71Å; E117-R147 PolarHBondContact OE2-NH2 2.71Å; Y145-R147 VanDerWaalsContact C-N 3.27Å; Y145-R147 PolarHBondContact O-N 2.76Å; R147-N151 WeakPolarHBondContact O-CB 3.06Å; R147-N151 PolarHBondContact O-N 3.22Å
148	D	88.3	Confident	86.2	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-73.7	-40.3	-176.3	-56.2	-15.1	0	0	0	110.3	I120 Y145 S146 N151 A152	I120-D148 HydrophobicContact CB-CB 4.25Å; I120-D148 HydrophobicContact CG2-CB 3.8Å; Y145-D148 WeakPolarHBondContact CD2-OD2 3.32Å; Y145-D148 PolarHBondContact O-N 3.39Å; S146-D148 VanDerWaalsContact C-N 3.25Å; S146-D148 PolarHBondContact O-N 3.03Å; D148-N151 PolarHBondContact O-N 3.45Å; D148-A152 PolarHBondContact O-N 3.25Å
149	R	87.8	Confident	85.9	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.011	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-42.4	175.9	-62.6	-167.9	-54	-89.1	-2.1	111.9	S143 P144 Y145 S146 N151 A152 R153 E165 E203	S143-R149 WeakPolarHBondContact O-CD 3.3Å; S143-R149 PolarHBondContact O-NH1 3.4Å; S143-R149 WeakPolarHBondContact OG-CD 3.15Å; S143-R149 WeakPolarHBondContact OG-CG 3.49Å; P144-R149 PolarHBondContact O-NH1 3.43Å; Y145-R149 PolarHBondContact O-N 2.82Å; S146-R149 PolarHBondContact O-N 3.12Å; S146-R149 PolarHBondContact OG-NH2 3.41Å; R149-N151 VanDerWaalsContact C-N 3.32Å; R149-N151 PolarHBondContact O-N 3.1Å; R149-A152 WeakPolarHBondContact O-CB 3.16Å; R149-A152 PolarHBondContact O-N 2.89Å; R149-R153 PolarHBondContact O-N 3.34Å; R149-E165 WeakPolarHBondContact CD-OE1 3.38Å; R149-E165 IonicContact CZ-OE1 3.07Å; R149-E165 IonicContact NE-OE1 3.75Å; R149-E165 PolarHBondContact NE-OE1 3.29Å; R149-E203 VanDerWaalsContact CZ-O 3.29Å; R149-E203 PolarHBondContact NH1-O 3.46Å; R149-E203 PolarHBondContact NH2-O 2.89Å
150	L	89.2	Confident	85.6	Confident	87 Å²	87	43.3 Å²	43.3	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-38.1	174.4	-73.2	171.2	0	0	0	111.6	S146 R153 K154	S146-L150 WeakPolarHBondContact O-CB 3.37Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.31Å; S146-L150 PolarHBondContact O-N 2.97Å; L150-R153 PolarHBondContact O-N 3.28Å; L150-K154 WeakPolarHBondContact O-CB 3.25Å; L150-K154 VanDerWaalsContact O-CG 3.27Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 3.13Å
151	N	91.6	Very high	85.4	Confident	69 Å²	69	43.5 Å²	43.5	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-44.9	173.5	-172.3	49.8	0	0	0	111.4	R147 D148 R149 R153 K154 I155	R147-N151 WeakPolarHBondContact O-CB 3.06Å; R147-N151 PolarHBondContact O-N 3.22Å; D148-N151 PolarHBondContact O-N 3.45Å; R149-N151 VanDerWaalsContact C-N 3.32Å; R149-N151 PolarHBondContact O-N 3.1Å; N151-R153 VanDerWaalsContact C-N 3.32Å; N151-R153 PolarHBondContact O-N 3.29Å; N151-K154 PolarHBondContact O-N 2.99Å; N151-I155 VanDerWaalsContact O-CG1 3.29Å; N151-I155 WeakPolarHBondContact O-CG1 3.3Å; N151-I155 PolarHBondContact O-N 3.46Å
152	A	88	Confident	85.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-44.3	175.3	0	0	0	0	0	112	W35 A124 D148 R149 I155 H156 F163	W35-A152 HydrophobicContact CH2-CB 4.38Å; W35-A152 HydrophobicContact CZ3-CB 4.28Å; A124-A152 HydrophobicContact CB-CB 3.54Å; D148-A152 PolarHBondContact O-N 3.25Å; R149-A152 WeakPolarHBondContact O-CB 3.16Å; R149-A152 PolarHBondContact O-N 2.89Å; A152-I155 PolarHBondContact O-N 3.38Å; A152-H156 PolarHBondContact O-N 2.79Å; A152-H156 PolarHBondContact O-ND1 3.48Å; A152-F163 HydrophobicContact CB-CE2 4.16Å; A152-F163 HydrophobicContact CB-CZ 4.18Å
153	R	88.8	Confident	86.4	Confident	26 Å²	26	45.7 Å²	45.7	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-51.8	173.9	178.8	-177.9	-66	-83.7	5.3	111.8	R149 L150 N151 I155 H156 E157 F163 E165 E209	R149-R153 PolarHBondContact O-N 3.34Å; L150-R153 PolarHBondContact O-N 3.28Å; N151-R153 VanDerWaalsContact C-N 3.32Å; N151-R153 PolarHBondContact O-N 3.29Å; R153-I155 VanDerWaalsContact C-N 3.28Å; R153-I155 PolarHBondContact O-N 2.88Å; R153-H156 PolarHBondContact O-N 3.46Å; R153-E157 VanDerWaalsContact CD-OE1 3.32Å; R153-E157 WeakPolarHBondContact CD-OE1 3.49Å; R153-E157 VanDerWaalsContact CG-CD 3.48Å; R153-E157 HydrophobicContact CG-CG 4.17Å; R153-E157 WeakPolarHBondContact CG-OE1 3.46Å; R153-E157 IonicContact NH1-OE1 2.72Å; R153-E157 PolarHBondContact O-N 3.25Å; R153-F163 HydrophobicContact CB-CD1 3.76Å; R153-F163 HydrophobicContact CB-CE1 3.84Å; R153-F163 HydrophobicContact CB-CG 4.33Å; R153-F163 HydrophobicContact CB-CZ 4.49Å; R153-F163 HydrophobicContact CG-CD1 3.92Å; R153-F163 HydrophobicContact CG-CE1 4.44Å; R153-F163 HydrophobicContact CG-CG 4.48Å; R153-E165 IonicContact CZ-OE2 3.78Å; R153-E165 IonicContact NH2-OE2 2.85Å; R153-E165 PolarHBondContact NH2-OE2 3.44Å; R153-E209 IonicContact CZ-OE1 3.74Å; R153-E209 IonicContact CZ-OE2 3.36Å; R153-E209 IonicContact NH1-OE1 2.66Å; R153-E209 PolarHBondContact NH1-OE1 3.19Å; R153-E209 IonicContact NH1-OE2 2.68Å; R153-E209 IonicContact NH2-OE1 3.02Å; R153-E209 PolarHBondContact NH2-OE1 3.47Å; R153-E209 IonicContact NH2-OE2 3.91Å; R153-E209 PolarHBondContact NH2-OE2 3.03Å
154	K	93.5	Very high	87.1	Confident	133 Å²	133	45.8 Å²	45.8	58%	0.578	26%	0.259	S	S	*	.	H	α-helix	trans	-56.6	-40.1	178.5	-75.6	174.2	-178.1	-178.5	0	112.8	L150 N151 H156 A158	L150-K154 WeakPolarHBondContact O-CB 3.25Å; L150-K154 VanDerWaalsContact O-CG 3.27Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 3.13Å; N151-K154 PolarHBondContact O-N 2.99Å; K154-H156 VanDerWaalsContact C-N 3.26Å; K154-H156 PolarHBondContact O-N 3.08Å; K154-A158 WeakPolarHBondContact O-CB 3.24Å; K154-A158 PolarHBondContact O-N 2.9Å
155	I	89.6	Confident	87.9	Confident	24 Å²	24	45.9 Å²	45.9	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-37.4	177.7	-73.8	166.4	0	0	0	111.6	A124 R128 N151 A152 R153	A124-I155 HydrophobicContact CB-CD1 4.11Å; R128-I155 HydrophobicContact CB-CG2 4.07Å; R128-I155 HydrophobicContact CG-CG2 4.19Å; N151-I155 VanDerWaalsContact O-CG1 3.29Å; N151-I155 WeakPolarHBondContact O-CG1 3.3Å; N151-I155 PolarHBondContact O-N 3.46Å; A152-I155 PolarHBondContact O-N 3.38Å; R153-I155 VanDerWaalsContact C-N 3.28Å; R153-I155 PolarHBondContact O-N 2.88Å
156	H	89.6	Confident	88.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-80.6	-47.7	179.3	-69.6	71.7	0	0	0	111.7	T33 A124 R128 A152 R153 K154 A158 A159 G160 L161 F163	T33-H156 WeakPolarHBondContact CB-NE2 3.41Å; T33-H156 PolarHBondContact OG1-CD2 2.95Å; T33-H156 VanDerWaalsContact OG1-CD2 3.31Å; T33-H156 PolarHBondContact OG1-NE2 3.41Å; A124-H156 PolarHBondContact O-CE1 3.12Å; R128-H156 WeakPolarHBondContact CA-NE2 3.29Å; R128-H156 PolarHBondContact N-NE2 3.34Å; A152-H156 PolarHBondContact O-N 2.79Å; A152-H156 PolarHBondContact O-ND1 3.48Å; R153-H156 PolarHBondContact O-N 3.46Å; K154-H156 VanDerWaalsContact C-N 3.26Å; K154-H156 PolarHBondContact O-N 3.08Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.33Å; H156-A159 CarbonylContact O-C 3.48Å; H156-A159 WeakPolarHBondContact O-CA 3.36Å; H156-A159 WeakPolarHBondContact O-CB 3.45Å; H156-A159 PolarHBondContact O-N 3.37Å; H156-G160 PolarHBondContact O-N 2.89Å; H156-L161 CarbonylContact C-O 3.48Å; H156-L161 HydrophobicContact CB-CB 4.26Å; H156-L161 PolarHBondContact O-N 2.74Å; H156-F163 HydrophobicContact CB-CB 3.91Å; H156-F163 HydrophobicContact CB-CD2 4.25Å; H156-F163 HydrophobicContact CB-CG 4.47Å; H156-F163 AromaticContact CE1-CD2 3.97Å; H156-F163 AromaticContact CG-CD2 3.77Å; H156-F163 AromaticContact ND1-CD2 3.66Å
157	E	87.8	Confident	88.2	Confident	107 Å²	107	42.7 Å²	42.7	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-40	179.7	-71.7	174.4	174.9	0	0	111.9	R153 A159 G160	R153-E157 VanDerWaalsContact CD-OE1 3.32Å; R153-E157 WeakPolarHBondContact CD-OE1 3.49Å; R153-E157 VanDerWaalsContact CG-CD 3.48Å; R153-E157 HydrophobicContact CG-CG 4.17Å; R153-E157 WeakPolarHBondContact CG-OE1 3.46Å; R153-E157 IonicContact NH1-OE1 2.72Å; R153-E157 PolarHBondContact O-N 3.25Å; E157-A159 PolarHBondContact O-N 2.84Å; E157-G160 PolarHBondContact O-N 3.49Å
158	A	89.9	Confident	87.9	Confident	93 Å²	93	36.4 Å²	36.4	77%	0.769	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.9	175.6	0	0	0	0	0	113.3	K154 H156	K154-A158 WeakPolarHBondContact O-CB 3.24Å; K154-A158 PolarHBondContact O-N 2.9Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-A158 PolarHBondContact O-N 3.33Å
159	A	82.7	Confident	87.7	Confident	49 Å²	49	36.5 Å²	36.5	41%	0.405	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.6	174.6	0	0	0	0	0	112.9	R128 H156 E157 L161	R128-A159 HydrophobicContact CG-CB 4.47Å; H156-A159 CarbonylContact O-C 3.48Å; H156-A159 WeakPolarHBondContact O-CA 3.36Å; H156-A159 WeakPolarHBondContact O-CB 3.45Å; H156-A159 PolarHBondContact O-N 3.37Å; E157-A159 PolarHBondContact O-N 2.84Å; A159-L161 HydrophobicContact CB-CD1 3.93Å; A159-L161 HydrophobicContact CB-CG 4.13Å; A159-L161 PolarHBondContact O-N 2.83Å
160	G	82.6	Confident	87.4	Confident	67 Å²	67	36.4 Å²	36.4	69%	0.691	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	20	-175.1	0	0	0	0	0	113.9	H156 E157	H156-G160 PolarHBondContact O-N 2.89Å; E157-G160 PolarHBondContact O-N 3.49Å
161	L	81.3	Confident	87.1	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.052	21%	0.21	C	C	.	.			trans	-97.7	132.8	-177.7	-66.1	169.1	0	0	0	111	F29 R128 A131 D132 H156 A159 F163	F29-L161 HydrophobicContact CE1-CD2 3.87Å; F29-L161 HydrophobicContact CZ-CD2 4.03Å; R128-L161 HydrophobicContact CG-CD1 3.61Å; A131-L161 HydrophobicContact CB-CD1 4.12Å; A131-L161 HydrophobicContact CB-CD2 4.37Å; D132-L161 HydrophobicContact CB-CD1 4.06Å; H156-L161 CarbonylContact C-O 3.48Å; H156-L161 HydrophobicContact CB-CB 4.26Å; H156-L161 PolarHBondContact O-N 2.74Å; A159-L161 HydrophobicContact CB-CD1 3.93Å; A159-L161 HydrophobicContact CB-CG 4.13Å; A159-L161 PolarHBondContact O-N 2.83Å; L161-F163 PolarHBondContact O-N 2.86Å
162	P	85.6	Confident	86.3	Confident	50 Å²	50	31.5 Å²	31.5	33%	0.325	20%	0.196	S	C	.	.			trans	-62.8	134.9	175.6	-22	33.1	0	0	0	112.6	C32 T33 F164 I235	C32-P162 HydrophobicContact CB-CB 3.96Å; C32-P162 HydrophobicContact CB-CG 4.45Å; T33-P162 PolarHBondContact N-O 2.94Å; T33-P162 VanDerWaalsContact N-O 3.07Å; P162-F164 HydrophobicContact CB-CE2 3.91Å; P162-F164 HydrophobicContact CB-CZ 3.75Å; P162-I235 HydrophobicContact CB-CD1 4.46Å; P162-I235 HydrophobicContact CG-CD1 4.21Å
163	F	89.9	Confident	86	Confident	11 Å²	11	36.6 Å²	36.6	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.6	176.2	-176.5	-89.5	0	0	0	109.9	T33 W35 A152 R153 H156 L161 E165	T33-F163 HydrophobicContact CG2-CD2 4.03Å; T33-F163 HydrophobicContact CG2-CE2 4.02Å; W35-F163 HydrophobicContact CB-CE1 4.24Å; W35-F163 HydrophobicContact CB-CE2 3.9Å; W35-F163 HydrophobicContact CB-CZ 3.53Å; W35-F163 HydrophobicContact CD2-CE2 4.18Å; W35-F163 HydrophobicContact CD2-CZ 4.01Å; W35-F163 AromaticContact CE3-CE2 3.83Å; W35-F163 HydrophobicContact CE3-CE2 3.83Å; W35-F163 HydrophobicContact CE3-CZ 4.14Å; W35-F163 HydrophobicContact CG-CE2 4.23Å; W35-F163 AromaticContact CG-CZ 3.77Å; W35-F163 HydrophobicContact CG-CZ 3.77Å; A152-F163 HydrophobicContact CB-CE2 4.16Å; A152-F163 HydrophobicContact CB-CZ 4.18Å; R153-F163 HydrophobicContact CB-CD1 3.76Å; R153-F163 HydrophobicContact CB-CE1 3.84Å; R153-F163 HydrophobicContact CB-CG 4.33Å; R153-F163 HydrophobicContact CB-CZ 4.49Å; R153-F163 HydrophobicContact CG-CD1 3.92Å; R153-F163 HydrophobicContact CG-CE1 4.44Å; R153-F163 HydrophobicContact CG-CG 4.48Å; H156-F163 HydrophobicContact CB-CB 3.91Å; H156-F163 HydrophobicContact CB-CD2 4.25Å; H156-F163 HydrophobicContact CB-CG 4.47Å; H156-F163 AromaticContact CE1-CD2 3.97Å; H156-F163 AromaticContact CG-CD2 3.77Å; H156-F163 AromaticContact ND1-CD2 3.66Å; L161-F163 PolarHBondContact O-N 2.86Å; F163-E165 HydrophobicContact CE1-CB 4.05Å
164	F	89.8	Confident	85.6	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.6	-179.3	-52.3	-69.9	0	0	0	109.9	C32 T33 V34 W35 P162 V166 E209 L229 L230 R233 I235	C32-F164 HydrophobicContact CB-CD2 4.35Å; C32-F164 HydrophobicContact CB-CE2 3.8Å; T33-F164 PolarHBondContact O-N 2.85Å; V34-F164 HydrophobicContact CG2-CD2 4.21Å; W35-F164 PolarHBondContact N-O 2.66Å; P162-F164 HydrophobicContact CB-CE2 3.91Å; P162-F164 HydrophobicContact CB-CZ 3.75Å; F164-V166 PolarHBondContact O-N 3.13Å; F164-E209 HydrophobicContact CD1-CG 4.18Å; F164-L229 HydrophobicContact CB-CD2 4.33Å; F164-L229 HydrophobicContact CD1-CD2 4.33Å; F164-L229 HydrophobicContact CG-CD2 4.46Å; F164-L230 HydrophobicContact CD2-CD2 3.91Å; F164-L230 HydrophobicContact CE2-CD2 3.82Å; F164-R233 HydrophobicContact CE1-CB 3.9Å; F164-R233 HydrophobicContact CE1-CG 3.69Å; F164-R233 HydrophobicContact CZ-CB 3.76Å; F164-R233 HydrophobicContact CZ-CG 4.11Å; F164-I235 HydrophobicContact CE2-CD1 4.42Å; F164-I235 HydrophobicContact CE2-CG1 3.84Å; F164-I235 HydrophobicContact CZ-CD1 4.5Å; F164-I235 HydrophobicContact CZ-CG1 3.93Å
165	E	90.2	Very high	84.9	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	108.9	173	-172	175.3	-164.9	0	0	109.8	T37 R149 R153 F163 P205 P208 E209 L210	T37-E165 HydrophobicContact CG2-CG 4.39Å; R149-E165 WeakPolarHBondContact CD-OE1 3.38Å; R149-E165 IonicContact CZ-OE1 3.07Å; R149-E165 IonicContact NE-OE1 3.75Å; R149-E165 PolarHBondContact NE-OE1 3.29Å; R153-E165 IonicContact CZ-OE2 3.78Å; R153-E165 IonicContact NH2-OE2 2.85Å; R153-E165 PolarHBondContact NH2-OE2 3.44Å; F163-E165 HydrophobicContact CE1-CB 4.05Å; E165-P205 HydrophobicContact CG-CB 4.42Å; E165-P205 HydrophobicContact CG-CG 4.41Å; E165-P205 WeakPolarHBondContact OE1-CB 3.33Å; E165-P205 WeakPolarHBondContact OE1-CG 3.16Å; E165-P208 CarbonylContact O-C 3.58Å; E165-P208 WeakPolarHBondContact O-CA 3.28Å; E165-P208 WeakPolarHBondContact O-CB 3.35Å; E165-E209 WeakPolarHBondContact CA-OE2 3.44Å; E165-E209 WeakPolarHBondContact CB-OE2 3.33Å; E165-E209 PolarHBondContact N-OE2 3.16Å; E165-E209 PolarHBondContact O-N 2.81Å; E165-L210 PolarHBondContact O-N 2.93Å
166	V	87.8	Confident	84.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.5	-179.4	179.1	0	0	0	0	108.9	V34 W35 L36 T37 F164 V168 L210 L212 L226	V34-V166 HydrophobicContact CG1-CG2 3.76Å; W35-V166 PolarHBondContact O-N 3.05Å; L36-V166 CarbonylContact C-O 3.14Å; L36-V166 WeakPolarHBondContact CA-O 3.45Å; L36-V166 HydrophobicContact CD2-CB 3.64Å; L36-V166 HydrophobicContact CD2-CG1 3.67Å; L36-V166 HydrophobicContact CD2-CG2 4.19Å; T37-V166 PolarHBondContact N-O 2.99Å; F164-V166 PolarHBondContact O-N 3.13Å; V166-V168 PolarHBondContact O-N 2.83Å; V166-L210 WeakPolarHBondContact CA-O 3.48Å; V166-L210 HydrophobicContact CG1-CB 4.44Å; V166-L210 HydrophobicContact CG1-CD2 4.48Å; V166-L210 HydrophobicContact CG2-CB 4.44Å; V166-L212 HydrophobicContact CG1-CD1 3.71Å; V166-L212 HydrophobicContact CG1-CG 3.95Å; V166-L226 HydrophobicContact CB-CD2 4.42Å; V166-L226 HydrophobicContact CG1-CD2 3.98Å; V166-L226 HydrophobicContact CG2-CD2 3.63Å
167	F	87.8	Confident	84.1	Confident	11 Å²	11	39.6 Å²	39.6	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	102.6	178.9	-179.1	-143.4	0	0	0	111.3	T37 R39 D169 Y202 K204 P205 P208 L210 V211 L212	T37-F167 HydrophobicContact CG2-CD2 4.26Å; T37-F167 CarbonylContact O-C 3.4Å; R39-F167 HydrophobicContact CB-CE2 3.45Å; R39-F167 VanDerWaalsContact CB-CE2 3.45Å; R39-F167 HydrophobicContact CB-CZ 3.34Å; R39-F167 HydrophobicContact CG-CE2 4.42Å; R39-F167 HydrophobicContact CG-CZ 3.88Å; F167-D169 HydrophobicContact CD1-CB 4.1Å; F167-D169 HydrophobicContact CE1-CB 3.68Å; F167-D169 HydrophobicContact CE2-CB 4.21Å; F167-D169 HydrophobicContact CZ-CB 3.72Å; F167-D169 PolarHBondContact O-N 3.48Å; F167-Y202 AromaticContact CE2-CE1 3.94Å; F167-Y202 HydrophobicContact CE2-CE1 3.94Å; F167-K204 HydrophobicContact CZ-CG 4.39Å; F167-P205 HydrophobicContact CB-CG 4.13Å; F167-P205 HydrophobicContact CD2-CG 4.22Å; F167-P205 HydrophobicContact CG-CG 4.13Å; F167-P208 HydrophobicContact CB-CB 3.97Å; F167-P208 HydrophobicContact CB-CG 4.13Å; F167-L210 PolarHBondContact N-O 3.1Å; F167-V211 HydrophobicContact CB-CG2 4.29Å; F167-V211 HydrophobicContact CD1-CG1 3.83Å; F167-V211 HydrophobicContact CD1-CG2 4.13Å; F167-V211 HydrophobicContact CE1-CG1 4.44Å; F167-V211 CarbonylContact O-C 3.4Å; F167-V211 WeakPolarHBondContact O-CA 3.49Å; F167-L212 PolarHBondContact O-N 2.85Å
168	V	84.9	Confident	83.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	91.7	172.9	-170.4	0	0	0	0	109.5	L36 T37 G38 A73 K75 V166 L212 T214	L36-V168 HydrophobicContact CB-CG2 4.15Å; L36-V168 HydrophobicContact CD2-CG2 4.3Å; T37-V168 WeakPolarHBondContact O-CA 3.27Å; T37-V168 WeakPolarHBondContact O-CB 3.38Å; T37-V168 PolarHBondContact O-N 3.44Å; G38-V168 WeakPolarHBondContact CA-O 3.25Å; A73-V168 HydrophobicContact CB-CG1 4.49Å; A73-V168 WeakPolarHBondContact O-CG1 3.26Å; K75-V168 HydrophobicContact CG-CB 4.06Å; K75-V168 HydrophobicContact CG-CG1 4.38Å; K75-V168 HydrophobicContact CG-CG2 3.97Å; V166-V168 PolarHBondContact O-N 2.83Å; V168-L212 HydrophobicContact CG2-CD1 4.47Å; V168-T214 HydrophobicContact CG1-CG2 3.52Å
169	D	84.2	Confident	83.2	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.6	-173.9	-167.5	22.1	0	0	0	111.1	R39 F167 V211 L212 K213 T214	R39-D169 WeakPolarHBondContact CD-OD1 3.42Å; F167-D169 HydrophobicContact CD1-CB 4.1Å; F167-D169 HydrophobicContact CE1-CB 3.68Å; F167-D169 HydrophobicContact CE2-CB 4.21Å; F167-D169 HydrophobicContact CZ-CB 3.72Å; F167-D169 PolarHBondContact O-N 3.48Å; D169-V211 HydrophobicContact CB-CG1 4.03Å; D169-L212 PolarHBondContact N-O 3.02Å; D169-L212 VanDerWaalsContact O-O 3.12Å; D169-K213 HydrophobicContact CB-CD 4.21Å; D169-K213 WeakPolarHBondContact O-CA 3.3Å; D169-K213 IonicContact OD2-NZ 3.58Å; D169-K213 PolarHBondContact OD2-NZ 3.31Å; D169-T214 PolarHBondContact O-N 2.83Å; D169-T214 VanDerWaalsContact O-N 3.09Å
170	A	81.1	Confident	82.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.			trans	-136.4	140	170.8	0	0	0	0	0	108.4	R39 A73 T214	R39-A170 VanDerWaalsContact O-O 3.09Å; A73-A170 HydrophobicContact CB-CB 4.28Å; A170-T214 WeakPolarHBondContact CB-OG1 3.48Å
171	P	82.1	Confident	82.2	Confident	42 Å²	42	34 Å²	34	27%	0.273	17%	0.173	S	C	.	.			trans	-57.6	149.8	172.8	-26.1	36.5	0	0	0	112.6	D173 V174 C175 D215	P171-D173 WeakPolarHBondContact CB-OD1 3.43Å; P171-D173 PolarHBondContact O-N 2.64Å; P171-V174 HydrophobicContact CB-CB 4.38Å; P171-V174 HydrophobicContact CB-CG2 4.05Å; P171-V174 HydrophobicContact CG-CG2 4.25Å; P171-V174 WeakPolarHBondContact O-CB 3.27Å; P171-V174 PolarHBondContact O-N 3.05Å; P171-C175 PolarHBondContact O-N 3.4Å; P171-C175 VanDerWaalsContact O-N 3.09Å; P171-C175 PolarHBondContact O-SG 3.1Å; P171-D215 WeakPolarHBondContact CD-OD2 3.15Å
172	L	76.2	Confident	82	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-52.9	179.6	168.4	58.8	0	0	0	111.2	M40 L70 V174 C175 E176 Y184	M40-L172 HydrophobicContact CB-CB 4.45Å; M40-L172 HydrophobicContact CE-CB 4.46Å; M40-L172 HydrophobicContact CE-CD1 3.12Å; M40-L172 HydrophobicContact CE-CD2 3.25Å; M40-L172 HydrophobicContact CE-CG 3.57Å; M40-L172 HydrophobicContact CG-CB 3.61Å; M40-L172 HydrophobicContact CG-CD1 3.43Å; M40-L172 VanDerWaalsContact CG-CD1 3.43Å; M40-L172 HydrophobicContact CG-CD2 4.19Å; M40-L172 HydrophobicContact CG-CG 3.79Å; M40-L172 HydrophobicContact SD-CB 3.68Å; M40-L172 HydrophobicContact SD-CD1 3.48Å; M40-L172 WeakPolarHBondContact SD-CD1 3.21Å; M40-L172 HydrophobicContact SD-CD2 3.16Å; M40-L172 WeakPolarHBondContact SD-CD2 3.04Å; M40-L172 HydrophobicContact SD-CG 3.45Å; M40-L172 WeakPolarHBondContact SD-CG 3.44Å; L70-L172 HydrophobicContact CD1-CD1 4.33Å; L172-V174 PolarHBondContact O-N 2.83Å; L172-C175 CarbonylContact O-C 3.57Å; L172-C175 WeakPolarHBondContact O-CA 3.23Å; L172-C175 WeakPolarHBondContact O-CB 3.41Å; L172-C175 PolarHBondContact O-N 3.29Å; L172-E176 HydrophobicContact CD1-CG 3.6Å; L172-E176 HydrophobicContact CG-CG 4.09Å; L172-E176 PolarHBondContact O-N 2.83Å; L172-Y184 HydrophobicContact CD1-CD1 4.37Å; L172-Y184 HydrophobicContact CD1-CE1 3.8Å
173	D	79.9	Confident	81.4	Confident	106 Å²	106	32.8 Å²	32.8	57%	0.567	17%	0.17	S	C	*	.	H	α-helix	trans	-55.2	-38.3	-175	54.6	-38.6	0	0	0	110.4	P171 Q177	P171-D173 WeakPolarHBondContact CB-OD1 3.43Å; P171-D173 PolarHBondContact O-N 2.64Å; D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 PolarHBondContact O-N 3.18Å
174	V	80.9	Confident	80.7	Confident	25 Å²	25	32.5 Å²	32.5	15%	0.152	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-42.7	171.5	177.2	0	0	0	0	111.7	P171 L172 Q177 R178	P171-V174 HydrophobicContact CB-CB 4.38Å; P171-V174 HydrophobicContact CB-CG2 4.05Å; P171-V174 HydrophobicContact CG-CG2 4.25Å; P171-V174 WeakPolarHBondContact O-CB 3.27Å; P171-V174 PolarHBondContact O-N 3.05Å; L172-V174 PolarHBondContact O-N 2.83Å; V174-Q177 PolarHBondContact O-N 3.41Å; V174-R178 WeakPolarHBondContact O-CG 3.15Å; V174-R178 PolarHBondContact O-N 3.1Å
175	C	78.9	Confident	80.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-39.4	177.3	-60.9	0	0	0	0	113	L70 P171 L172 R178 D179 Y184	L70-C175 HydrophobicContact CD1-CB 4.07Å; P171-C175 PolarHBondContact O-N 3.4Å; P171-C175 VanDerWaalsContact O-N 3.09Å; P171-C175 PolarHBondContact O-SG 3.1Å; L172-C175 CarbonylContact O-C 3.57Å; L172-C175 WeakPolarHBondContact O-CA 3.23Å; L172-C175 WeakPolarHBondContact O-CB 3.41Å; L172-C175 PolarHBondContact O-N 3.29Å; C175-R178 PolarHBondContact O-N 2.86Å; C175-D179 PolarHBondContact O-N 3.21Å; C175-Y184 HydrophobicContact CB-CE2 4.21Å; C175-Y184 WeakPolarHBondContact CB-OH 3.41Å; C175-Y184 VanDerWaalsContact O-CE2 3.31Å; C175-Y184 WeakPolarHBondContact O-CE2 3.42Å
176	E	80.2	Confident	79.6	Confident	56 Å²	56	43 Å²	43	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-38.8	173.1	-83.5	-175.9	168.2	0	0	111.7	L172 R178 D179 Y184 R188	L172-E176 HydrophobicContact CD1-CG 3.6Å; L172-E176 HydrophobicContact CG-CG 4.09Å; L172-E176 PolarHBondContact O-N 2.83Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-D179 WeakPolarHBondContact O-CB 3.31Å; E176-D179 PolarHBondContact O-N 3.23Å; E176-Y184 HydrophobicContact CB-CD1 4.44Å; E176-Y184 HydrophobicContact CB-CG 4.41Å; E176-Y184 HydrophobicContact CG-CD1 3.34Å; E176-Y184 HydrophobicContact CG-CD2 4.46Å; E176-Y184 HydrophobicContact CG-CE1 3.89Å; E176-Y184 HydrophobicContact CG-CG 3.69Å; E176-R188 IonicContact OE1-CZ 3.46Å; E176-R188 IonicContact OE1-NE 2.63Å; E176-R188 PolarHBondContact OE1-NE 2.97Å; E176-R188 VanDerWaalsContact OE1-NE 3.08Å; E176-R188 IonicContact OE1-NH2 3.8Å; E176-R188 PolarHBondContact OE1-NH2 3.26Å; E176-R188 IonicContact OE2-NH2 3.38Å
177	Q	82.5	Confident	78.9	Confident	166 Å²	166	43.3 Å²	43.3	78%	0.776	22%	0.216	S	C	*	.	H	α-helix	trans	-63.8	-39.9	173.9	-175.8	-178.3	16.3	0	0	111.2	D173 V174	D173-Q177 WeakPolarHBondContact O-CB 3.39Å; D173-Q177 PolarHBondContact O-N 3.18Å; V174-Q177 PolarHBondContact O-N 3.41Å
178	R	81.4	Confident	78.5	Confident	36 Å²	36	49.5 Å²	49.5	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-41.8	178.7	-71.8	167.3	-175.2	179.3	1.8	112	G72 V174 C175 E176 V180 T214	G72-R178 WeakPolarHBondContact O-CD 3.16Å; G72-R178 PolarHBondContact O-NH1 3.23Å; V174-R178 WeakPolarHBondContact O-CG 3.15Å; V174-R178 PolarHBondContact O-N 3.1Å; C175-R178 PolarHBondContact O-N 2.86Å; E176-R178 VanDerWaalsContact C-N 3.31Å; R178-V180 HydrophobicContact CB-CG2 4.05Å; R178-V180 PolarHBondContact O-N 2.97Å; R178-T214 PolarHBondContact NH1-OG1 3.39Å; R178-T214 PolarHBondContact NH2-O 3.44Å
179	D	77.4	Confident	78.3	Confident	18 Å²	18	52.6 Å²	52.6	10%	0.096	27%	0.265	C	S	.	.			trans	25.4	51.3	-176.9	-161.3	17.4	0	0	0	115.8	C175 E176 K181 G182 L183 Y184 K185	C175-D179 PolarHBondContact O-N 3.21Å; E176-D179 WeakPolarHBondContact O-CB 3.31Å; E176-D179 PolarHBondContact O-N 3.23Å; D179-K181 PolarHBondContact O-N 3.14Å; D179-G182 VanDerWaalsContact CG-CA 3.45Å; D179-G182 PolarHBondContact O-N 2.9Å; D179-G182 VanDerWaalsContact OD1-CA 3.26Å; D179-G182 WeakPolarHBondContact OD1-CA 3.29Å; D179-G182 PolarHBondContact OD1-N 2.8Å; D179-G182 VanDerWaalsContact OD2-CA 3.28Å; D179-G182 WeakPolarHBondContact OD2-CA 3.3Å; D179-L183 PolarHBondContact OD1-N 3.28Å; D179-Y184 HydrophobicContact CB-CD2 4.27Å; D179-Y184 WeakPolarHBondContact OD1-CD2 3.43Å; D179-Y184 PolarHBondContact OD1-N 3.36Å; D179-K185 WeakPolarHBondContact OD2-CD 3.43Å; D179-K185 VanDerWaalsContact OD2-CG 3.24Å; D179-K185 WeakPolarHBondContact OD2-CG 3.45Å; D179-K185 PolarHBondContact OD2-N 3.34Å
180	V	72.8	Confident	77.7	Confident	49 Å²	49	54.3 Å²	54.3	30%	0.297	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.8	-165.3	-174.8	0	0	0	0	113.3	V7 R178	V7-V180 HydrophobicContact CB-CG2 4.06Å; V7-V180 HydrophobicContact CG1-CG2 3.88Å; V7-V180 VanDerWaalsContact O-CG2 3.23Å; V7-V180 WeakPolarHBondContact O-CG2 3.37Å; R178-V180 HydrophobicContact CB-CG2 4.05Å; R178-V180 PolarHBondContact O-N 2.97Å
181	K	71.3	Confident	77.2	Confident	95 Å²	95	60.9 Å²	60.9	41%	0.413	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	8.4	-177.9	-67.9	-174.4	179.1	-170.9	0	113.1	D179 L183	D179-K181 PolarHBondContact O-N 3.14Å; K181-L183 HydrophobicContact CB-CD1 3.95Å; K181-L183 HydrophobicContact CB-CD2 4.24Å; K181-L183 HydrophobicContact CB-CG 3.69Å; K181-L183 HydrophobicContact CD-CD1 4.44Å; K181-L183 PolarHBondContact O-N 3.21Å
182	G	76.5	Confident	76.4	Confident	24 Å²	24	59.9 Å²	59.9	25%	0.247	31%	0.309	C	S	.	.	S	Bend	trans	66.8	19.9	-177.3	0	0	0	0	0	114.3	D179 K186	D179-G182 VanDerWaalsContact CG-CA 3.45Å; D179-G182 PolarHBondContact O-N 2.9Å; D179-G182 VanDerWaalsContact OD1-CA 3.26Å; D179-G182 WeakPolarHBondContact OD1-CA 3.29Å; D179-G182 PolarHBondContact OD1-N 2.8Å; D179-G182 VanDerWaalsContact OD2-CA 3.28Å; D179-G182 WeakPolarHBondContact OD2-CA 3.3Å; G182-K186 WeakPolarHBondContact O-CG 3.39Å; G182-K186 PolarHBondContact O-N 3.43Å
183	L	73.8	Confident	75.7	Confident	10 Å²	10	70 Å²	70	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-82.6	-34.1	-171.2	-58.1	-176.5	0	0	0	112.1	L64 F66 D179 K181 K186 A187 F195	L64-L183 HydrophobicContact CD2-CD2 4.11Å; F66-L183 HydrophobicContact CD1-CD1 4.02Å; F66-L183 HydrophobicContact CD1-CD2 4.41Å; F66-L183 HydrophobicContact CE1-CB 4.17Å; F66-L183 HydrophobicContact CE1-CD1 3.84Å; F66-L183 HydrophobicContact CE1-CD2 3.56Å; F66-L183 HydrophobicContact CE1-CG 4.03Å; F66-L183 HydrophobicContact CZ-CD2 3.74Å; D179-L183 PolarHBondContact OD1-N 3.28Å; K181-L183 HydrophobicContact CB-CD1 3.95Å; K181-L183 HydrophobicContact CB-CD2 4.24Å; K181-L183 HydrophobicContact CB-CG 3.69Å; K181-L183 HydrophobicContact CD-CD1 4.44Å; K181-L183 PolarHBondContact O-N 3.21Å; L183-K186 PolarHBondContact O-N 3.24Å; L183-A187 WeakPolarHBondContact O-CB 3.31Å; L183-A187 PolarHBondContact O-N 3.1Å; L183-F195 HydrophobicContact CB-CE2 4.11Å; L183-F195 HydrophobicContact CB-CZ 4.17Å
184	Y	74.2	Confident	74.7	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-68.4	-41.2	178.3	-70.2	-83.6	0	0	0	110.8	L70 S71 L172 C175 E176 D179 K186 A187 R188 F195 I198	L70-Y184 WeakPolarHBondContact CA-OH 3.19Å; L70-Y184 WeakPolarHBondContact CB-OH 3.49Å; S71-Y184 PolarHBondContact N-OH 2.78Å; S71-Y184 WeakPolarHBondContact O-CE2 3.37Å; S71-Y184 PolarHBondContact O-OH 3.08Å; L172-Y184 HydrophobicContact CD1-CD1 4.37Å; L172-Y184 HydrophobicContact CD1-CE1 3.8Å; C175-Y184 HydrophobicContact CB-CE2 4.21Å; C175-Y184 WeakPolarHBondContact CB-OH 3.41Å; C175-Y184 VanDerWaalsContact O-CE2 3.31Å; C175-Y184 WeakPolarHBondContact O-CE2 3.42Å; E176-Y184 HydrophobicContact CB-CD1 4.44Å; E176-Y184 HydrophobicContact CB-CG 4.41Å; E176-Y184 HydrophobicContact CG-CD1 3.34Å; E176-Y184 HydrophobicContact CG-CD2 4.46Å; E176-Y184 HydrophobicContact CG-CE1 3.89Å; E176-Y184 HydrophobicContact CG-CG 3.69Å; D179-Y184 HydrophobicContact CB-CD2 4.27Å; D179-Y184 WeakPolarHBondContact OD1-CD2 3.43Å; D179-Y184 PolarHBondContact OD1-N 3.36Å; Y184-K186 PolarHBondContact O-N 2.95Å; Y184-A187 PolarHBondContact O-N 2.86Å; Y184-R188 WeakPolarHBondContact O-CB 3.46Å; Y184-R188 VanDerWaalsContact O-CG 3.25Å; Y184-R188 WeakPolarHBondContact O-CG 3.09Å; Y184-R188 PolarHBondContact O-N 3.42Å; Y184-F195 AromaticContact CD1-CE1 3.87Å; Y184-F195 HydrophobicContact CD1-CE1 3.87Å; Y184-F195 AromaticContact CE1-CE1 3.66Å; Y184-F195 HydrophobicContact CE1-CE1 3.66Å; Y184-F195 HydrophobicContact CE1-CZ 4.34Å; Y184-I198 HydrophobicContact CD1-CD1 4.12Å
185	K	80.6	Confident	74	Confident	160 Å²	160	65.3 Å²	65.3	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-56.7	-47.4	173.4	-75.3	171.4	-174.4	179.8	0	112.3	D179 R188 A189	D179-K185 WeakPolarHBondContact OD2-CD 3.43Å; D179-K185 VanDerWaalsContact OD2-CG 3.24Å; D179-K185 WeakPolarHBondContact OD2-CG 3.45Å; D179-K185 PolarHBondContact OD2-N 3.34Å; K185-R188 PolarHBondContact O-N 2.91Å; K185-A189 WeakPolarHBondContact O-CB 3.4Å; K185-A189 PolarHBondContact O-N 3.2Å
186	K	76.1	Confident	73.3	Confident	76 Å²	76	65.4 Å²	65.4	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-37.8	178.9	-71.7	-179.5	177.8	-175.5	0	113	G182 L183 Y184 A189 G190 E191 I192	G182-K186 WeakPolarHBondContact O-CG 3.39Å; G182-K186 PolarHBondContact O-N 3.43Å; L183-K186 PolarHBondContact O-N 3.24Å; Y184-K186 PolarHBondContact O-N 2.95Å; K186-A189 PolarHBondContact O-N 3.29Å; K186-G190 PolarHBondContact O-N 2.81Å; K186-E191 HydrophobicContact CB-CB 4.41Å; K186-E191 WeakPolarHBondContact O-CB 3.43Å; K186-E191 PolarHBondContact O-N 2.58Å; K186-E191 VanDerWaalsContact O-N 3.08Å; K186-I192 HydrophobicContact CB-CD1 3.35Å; K186-I192 HydrophobicContact CB-CG1 4.1Å; K186-I192 HydrophobicContact CD-CD1 4.46Å
187	A	75	Confident	72.2	Confident	5 Å²	5	63.6 Å²	63.6	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-42.3	177.5	0	0	0	0	0	111	L183 Y184 A189 G190 I192 F195 I198	L183-A187 WeakPolarHBondContact O-CB 3.31Å; L183-A187 PolarHBondContact O-N 3.1Å; Y184-A187 PolarHBondContact O-N 2.86Å; A187-A189 PolarHBondContact O-N 2.8Å; A187-G190 PolarHBondContact O-N 2.89Å; A187-I192 HydrophobicContact CB-CB 4.34Å; A187-I192 HydrophobicContact CB-CD1 4.25Å; A187-F195 HydrophobicContact CB-CB 4.02Å; A187-F195 HydrophobicContact CB-CD1 4.08Å; A187-F195 HydrophobicContact CB-CG 3.95Å; A187-I198 HydrophobicContact CB-CD1 3.55Å
188	R	78.8	Confident	71.5	Confident	141 Å²	141	57.6 Å²	57.6	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-28	173.6	-67.2	-65.2	-174	174.7	3.3	113.1	E176 Y184 K185 G190 I198	E176-R188 IonicContact OE1-CZ 3.46Å; E176-R188 IonicContact OE1-NE 2.63Å; E176-R188 PolarHBondContact OE1-NE 2.97Å; E176-R188 VanDerWaalsContact OE1-NE 3.08Å; E176-R188 IonicContact OE1-NH2 3.8Å; E176-R188 PolarHBondContact OE1-NH2 3.26Å; E176-R188 IonicContact OE2-NH2 3.38Å; Y184-R188 WeakPolarHBondContact O-CB 3.46Å; Y184-R188 VanDerWaalsContact O-CG 3.25Å; Y184-R188 WeakPolarHBondContact O-CG 3.09Å; Y184-R188 PolarHBondContact O-N 3.42Å; K185-R188 PolarHBondContact O-N 2.91Å; R188-G190 VanDerWaalsContact C-N 3.25Å; R188-G190 PolarHBondContact O-N 3.47Å; R188-I198 HydrophobicContact CG-CD1 4.22Å
189	A	80.1	Confident	70.6	Confident	65 Å²	65	60.3 Å²	60.3	54%	0.537	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.8	172.6	0	0	0	0	0	113.9	K185 K186 A187 E191	K185-A189 WeakPolarHBondContact O-CB 3.4Å; K185-A189 PolarHBondContact O-N 3.2Å; K186-A189 PolarHBondContact O-N 3.29Å; A187-A189 PolarHBondContact O-N 2.8Å; A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 HydrophobicContact CB-CG 4.19Å; A189-E191 PolarHBondContact O-N 3.42Å
190	G	71.4	Confident	70.1	Confident	49 Å²	49	60.9 Å²	60.9	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	8	-179.4	0	0	0	0	0	114.7	K186 A187 R188 I192	K186-G190 PolarHBondContact O-N 2.81Å; A187-G190 PolarHBondContact O-N 2.89Å; R188-G190 VanDerWaalsContact C-N 3.25Å; R188-G190 PolarHBondContact O-N 3.47Å; G190-I192 VanDerWaalsContact C-N 3.26Å; G190-I192 PolarHBondContact O-N 2.87Å
191	E	71.6	Confident	70.1	Confident	138 Å²	138	66.1 Å²	66.1	65%	0.645	34%	0.338	S	S	*	.	S	Bend	trans	-73.5	-20.3	177.3	-62.4	176.2	-161.1	0	0	112.2	K186 A189	K186-E191 HydrophobicContact CB-CB 4.41Å; K186-E191 WeakPolarHBondContact O-CB 3.43Å; K186-E191 PolarHBondContact O-N 2.58Å; K186-E191 VanDerWaalsContact O-N 3.08Å; A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 HydrophobicContact CB-CG 4.19Å; A189-E191 PolarHBondContact O-N 3.42Å
192	I	65.6	Low	70.1	Confident	22 Å²	22	63 Å²	63	11%	0.113	32%	0.324	C	S	.	.	S	Bend	trans	-125.5	118.6	178.7	-53.6	153.6	0	0	0	107.8	F66 K186 A187 G190 F195	F66-I192 HydrophobicContact CE1-CD1 3.48Å; F66-I192 VanDerWaalsContact CE1-CD1 3.48Å; F66-I192 HydrophobicContact CE1-CG1 4.09Å; F66-I192 HydrophobicContact CE1-CG2 3.99Å; F66-I192 HydrophobicContact CE2-CD1 4.29Å; F66-I192 HydrophobicContact CE2-CG1 4.17Å; F66-I192 HydrophobicContact CE2-CG2 4.43Å; F66-I192 HydrophobicContact CZ-CB 4.37Å; F66-I192 HydrophobicContact CZ-CD1 3.17Å; F66-I192 HydrophobicContact CZ-CG1 3.47Å; F66-I192 VanDerWaalsContact CZ-CG1 3.47Å; F66-I192 HydrophobicContact CZ-CG2 3.96Å; K186-I192 HydrophobicContact CB-CD1 3.35Å; K186-I192 HydrophobicContact CB-CG1 4.1Å; K186-I192 HydrophobicContact CD-CD1 4.46Å; A187-I192 HydrophobicContact CB-CB 4.34Å; A187-I192 HydrophobicContact CB-CD1 4.25Å; G190-I192 VanDerWaalsContact C-N 3.26Å; G190-I192 PolarHBondContact O-N 2.87Å; I192-F195 HydrophobicContact CG2-CB 4.24Å; I192-F195 HydrophobicContact CG2-CD2 4.17Å
193	R	59.8	Low	70.3	Confident	223 Å²	223	65.6 Å²	65.6	84%	0.842	33%	0.33	S	S	*	.	S	Bend	trans	-99.1	144.6	176.3	-63.1	-176.4	-177.9	-176.8	0.1	110.9
194	G	60.8	Low	70.5	Confident	21 Å²	21	69.2 Å²	69.2	22%	0.216	35%	0.345	C	S	.	.	S	Bend	trans	73.3	33.4	175.9	0	0	0	0	0	112.8	R116 D199 S200	R116-G194 PolarHBondContact NH1-O 3.24Å; R116-G194 PolarHBondContact NH2-O 3.44Å; R116-G194 VanDerWaalsContact NH2-O 3.14Å; G194-D199 PolarHBondContact N-OD2 3.22Å; G194-S200 WeakPolarHBondContact CA-OG 3.14Å; G194-S200 PolarHBondContact O-OG 3.37Å
195	F	66.2	Low	70.9	Confident	12 Å²	12	69.5 Å²	69.5	5%	0.053	35%	0.348	C	S	.	.			trans	-79.2	115.9	176.8	-169.5	-98.2	0	0	0	109.8	F66 L183 Y184 A187 I192 G197 I198 D199 S200	F66-F195 HydrophobicContact CD1-CD2 4.23Å; F66-F195 HydrophobicContact CD1-CE2 4.04Å; F66-F195 HydrophobicContact CE1-CD2 4.15Å; F66-F195 AromaticContact CE1-CE2 4Å; F66-F195 HydrophobicContact CE1-CE2 4Å; L183-F195 HydrophobicContact CB-CE2 4.11Å; L183-F195 HydrophobicContact CB-CZ 4.17Å; Y184-F195 AromaticContact CD1-CE1 3.87Å; Y184-F195 HydrophobicContact CD1-CE1 3.87Å; Y184-F195 AromaticContact CE1-CE1 3.66Å; Y184-F195 HydrophobicContact CE1-CE1 3.66Å; Y184-F195 HydrophobicContact CE1-CZ 4.34Å; A187-F195 HydrophobicContact CB-CB 4.02Å; A187-F195 HydrophobicContact CB-CD1 4.08Å; A187-F195 HydrophobicContact CB-CG 3.95Å; I192-F195 HydrophobicContact CG2-CB 4.24Å; I192-F195 HydrophobicContact CG2-CD2 4.17Å; F195-G197 PolarHBondContact O-N 2.93Å; F195-I198 HydrophobicContact CD1-CB 4.39Å; F195-I198 HydrophobicContact CD1-CD1 3.89Å; F195-I198 HydrophobicContact CD1-CG1 4.11Å; F195-I198 HydrophobicContact CE1-CD1 4.39Å; F195-I198 PolarHBondContact O-N 3.48Å; F195-D199 PolarHBondContact O-N 3.45Å; F195-S200 PolarHBondContact O-N 3.15Å
196	T	62.6	Low	71.2	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-54.7	126.3	-180	-58.1	0	0	0	0	111.4	L70 P144 S200 Y202	L70-T196 VanDerWaalsContact CD2-O 3.3Å; L70-T196 WeakPolarHBondContact CD2-O 3.46Å; P144-T196 HydrophobicContact CB-CG2 3.94Å; T196-S200 CarbonylContact C-O 3.58Å; T196-S200 WeakPolarHBondContact CA-O 3.44Å; T196-Y202 HydrophobicContact CG2-CD2 4.38Å
197	G	58.5	Low	71.8	Confident	19 Å²	19	71.4 Å²	71.4	20%	0.196	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	-49.2	-169.8	0	0	0	0	0	112.5	M40 F195 S200	M40-G197 VanDerWaalsContact CE-CA 3.48Å; M40-G197 WeakPolarHBondContact CE-O 3.44Å; F195-G197 PolarHBondContact O-N 2.93Å; G197-S200 PolarHBondContact N-O 2.99Å
198	I	66.8	Low	72.4	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.2	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-55.6	-175.3	-63.7	174.7	0	0	0	110.5	M40 Y184 A187 R188 F195	M40-I198 HydrophobicContact CE-CB 4.45Å; M40-I198 HydrophobicContact CE-CG1 3.67Å; Y184-I198 HydrophobicContact CD1-CD1 4.12Å; A187-I198 HydrophobicContact CB-CD1 3.55Å; R188-I198 HydrophobicContact CG-CD1 4.22Å; F195-I198 HydrophobicContact CD1-CB 4.39Å; F195-I198 HydrophobicContact CD1-CD1 3.89Å; F195-I198 HydrophobicContact CD1-CG1 4.11Å; F195-I198 HydrophobicContact CE1-CD1 4.39Å; F195-I198 PolarHBondContact O-N 3.48Å
199	D	63.4	Low	72.8	Confident	94 Å²	94	68.4 Å²	68.4	50%	0.503	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-8.8	-175	-56.5	-41.6	0	0	0	113.5	G194 F195	G194-D199 PolarHBondContact N-OD2 3.22Å; F195-D199 PolarHBondContact O-N 3.45Å
200	S	66.9	Low	73.1	Confident	29 Å²	29	66.7 Å²	66.7	20%	0.203	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-136.2	143.3	179.7	-54.9	0	0	0	0	110.7	G194 F195 T196 G197	G194-S200 WeakPolarHBondContact CA-OG 3.14Å; G194-S200 PolarHBondContact O-OG 3.37Å; F195-S200 PolarHBondContact O-N 3.15Å; T196-S200 CarbonylContact C-O 3.58Å; T196-S200 WeakPolarHBondContact CA-O 3.44Å; G197-S200 PolarHBondContact N-O 2.99Å
201	E	71.2	Confident	73.9	Confident	160 Å²	160	67 Å²	67	75%	0.748	34%	0.34	S	S	*	.			trans	-75.2	157.9	-175.8	-63.3	-167.2	164	0	0	112.8
202	Y	72.3	Confident	74.6	Confident	28 Å²	28	60.4 Å²	60.4	11%	0.11	31%	0.31	C	S	.	.			trans	-125	121	170.8	175.3	-86.3	0	0	0	107.8	T37 G38 R39 I142 P144 F167 T196 K204	T37-Y202 WeakPolarHBondContact CG2-OH 3.19Å; T37-Y202 WeakPolarHBondContact OG1-CE2 3.3Å; T37-Y202 PolarHBondContact OG1-OH 3.48Å; G38-Y202 VanDerWaalsContact C-CZ 3.47Å; G38-Y202 PolarHBondContact N-OH 3.1Å; G38-Y202 VanDerWaalsContact N-OH 3.12Å; G38-Y202 VanDerWaalsContact O-CD2 3.23Å; G38-Y202 WeakPolarHBondContact O-CD2 3.21Å; G38-Y202 WeakPolarHBondContact O-CE2 3.41Å; G38-Y202 VanDerWaalsContact O-CZ 3.29Å; R39-Y202 HydrophobicContact CB-CD1 3.73Å; R39-Y202 HydrophobicContact CB-CE1 3.6Å; R39-Y202 HydrophobicContact CG-CD1 3.98Å; R39-Y202 HydrophobicContact CG-CE1 4.17Å; I142-Y202 HydrophobicContact CG2-CD2 4Å; I142-Y202 HydrophobicContact CG2-CE2 3.94Å; P144-Y202 HydrophobicContact CB-CD2 3.86Å; F167-Y202 AromaticContact CE2-CE1 3.94Å; F167-Y202 HydrophobicContact CE2-CE1 3.94Å; T196-Y202 HydrophobicContact CG2-CD2 4.38Å; Y202-K204 HydrophobicContact CE1-CG 4.43Å
203	E	80.1	Confident	75.6	Confident	80 Å²	80	63.8 Å²	63.8	37%	0.374	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-90.4	121	179	-59.3	174.4	-178.2	0	0	109.1	P144 S146 R149	P144-E203 PolarHBondContact O-N 3.24Å; S146-E203 WeakPolarHBondContact CA-OE2 3.33Å; S146-E203 WeakPolarHBondContact CB-OE2 3.38Å; S146-E203 PolarHBondContact N-OE2 3.18Å; S146-E203 WeakPolarHBondContact OG-CB 3.36Å; S146-E203 PolarHBondContact OG-OE2 2.86Å; R149-E203 VanDerWaalsContact CZ-O 3.29Å; R149-E203 PolarHBondContact NH1-O 3.46Å; R149-E203 PolarHBondContact NH2-O 2.89Å
204	K	78.8	Confident	76.7	Confident	85 Å²	85	53.3 Å²	53.3	37%	0.37	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-67.2	142.1	-179.3	-70.1	-178.7	-175	174.7	0	111.3	R39 F167 Y202 E206	R39-K204 HydrophobicContact CG-CD 4.43Å; R39-K204 HydrophobicContact CG-CG 3.98Å; R39-K204 VanDerWaalsContact NH1-CE 3.35Å; R39-K204 VanDerWaalsContact NH2-NZ 3.13Å; F167-K204 HydrophobicContact CZ-CG 4.39Å; Y202-K204 HydrophobicContact CE1-CG 4.43Å; K204-E206 PolarHBondContact O-N 3.1Å
205	P	83	Confident	77.7	Confident	12 Å²	12	55.3 Å²	55.3	8%	0.078	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-56.8	127	163	-23.2	35.1	0	0	0	110	T37 E165 F167 P208	T37-P205 HydrophobicContact CG2-CG 3.66Å; E165-P205 HydrophobicContact CG-CB 4.42Å; E165-P205 HydrophobicContact CG-CG 4.41Å; E165-P205 WeakPolarHBondContact OE1-CB 3.33Å; E165-P205 WeakPolarHBondContact OE1-CG 3.16Å; F167-P205 HydrophobicContact CB-CG 4.13Å; F167-P205 HydrophobicContact CD2-CG 4.22Å; F167-P205 HydrophobicContact CG-CG 4.13Å; P205-P208 HydrophobicContact CB-CB 3.86Å; P205-P208 HydrophobicContact CB-CG 4.03Å
206	E	86.2	Confident	78.6	Confident	198 Å²	198	59.2 Å²	59.2	93%	0.925	32%	0.319	S	S	*	.	S	Bend	trans	-78.7	-36.3	176.6	-65.3	-176.1	168.5	0	0	111.5	K204	K204-E206 PolarHBondContact O-N 3.1Å
207	A	87.9	Confident	79.5	Confident	77 Å²	77	60.4 Å²	60.4	64%	0.636	33%	0.327	S	S	*	.	S	Bend	trans	-134.9	63.9	-179.3	0	0	0	0	0	111.5
208	P	87.4	Confident	80.7	Confident	30 Å²	30	60.8 Å²	60.8	20%	0.195	33%	0.327	C	S	.	.			trans	-69.3	146.8	172.1	31.2	-32.9	0	0	0	110.3	E165 F167 P205 L210 V211	E165-P208 CarbonylContact O-C 3.58Å; E165-P208 WeakPolarHBondContact O-CA 3.28Å; E165-P208 WeakPolarHBondContact O-CB 3.35Å; F167-P208 HydrophobicContact CB-CB 3.97Å; F167-P208 HydrophobicContact CB-CG 4.13Å; P205-P208 HydrophobicContact CB-CB 3.86Å; P205-P208 HydrophobicContact CB-CG 4.03Å; P208-L210 PolarHBondContact O-N 2.89Å; P208-V211 HydrophobicContact CG-CG2 3.59Å
209	E	87.1	Confident	81.4	Confident	53 Å²	53	60.9 Å²	60.9	25%	0.248	33%	0.329	C	S	.	.	S	Bend	trans	-64.9	-27.8	172.7	-78.5	73.8	-160.3	0	0	112.5	R153 F164 E165 L229	R153-E209 IonicContact CZ-OE1 3.74Å; R153-E209 IonicContact CZ-OE2 3.36Å; R153-E209 IonicContact NH1-OE1 2.66Å; R153-E209 PolarHBondContact NH1-OE1 3.19Å; R153-E209 IonicContact NH1-OE2 2.68Å; R153-E209 IonicContact NH2-OE1 3.02Å; R153-E209 PolarHBondContact NH2-OE1 3.47Å; R153-E209 IonicContact NH2-OE2 3.91Å; R153-E209 PolarHBondContact NH2-OE2 3.03Å; F164-E209 HydrophobicContact CD1-CG 4.18Å; E165-E209 WeakPolarHBondContact CA-OE2 3.44Å; E165-E209 WeakPolarHBondContact CB-OE2 3.33Å; E165-E209 PolarHBondContact N-OE2 3.16Å; E165-E209 PolarHBondContact O-N 2.81Å; E209-L229 HydrophobicContact CB-CD1 4.42Å; E209-L229 HydrophobicContact CB-CD2 4.19Å
210	L	87.4	Confident	82.1	Confident	30 Å²	30	62.7 Å²	62.7	16%	0.157	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145	176.6	-175.8	64.7	0	0	0	112	E165 V166 F167 P208 L212 Q225 L226 L229	E165-L210 PolarHBondContact O-N 2.93Å; V166-L210 WeakPolarHBondContact CA-O 3.48Å; V166-L210 HydrophobicContact CG1-CB 4.44Å; V166-L210 HydrophobicContact CG1-CD2 4.48Å; V166-L210 HydrophobicContact CG2-CB 4.44Å; F167-L210 PolarHBondContact N-O 3.1Å; P208-L210 PolarHBondContact O-N 2.89Å; L210-L212 HydrophobicContact CD2-CD2 3.79Å; L210-L212 HydrophobicContact CD2-CG 4.25Å; L210-L212 HydrophobicContact CG-CD2 4.12Å; L210-L212 HydrophobicContact CG-CG 4.42Å; L210-Q225 HydrophobicContact CD1-CB 4.29Å; L210-Q225 HydrophobicContact CD2-CB 4.04Å; L210-L226 HydrophobicContact CD2-CD2 3.74Å; L210-L226 HydrophobicContact CD2-CG 3.89Å; L210-L229 HydrophobicContact CB-CD2 4.08Å; L210-L229 HydrophobicContact CD2-CD2 4.48Å
211	V	89.3	Confident	82.9	Confident	54 Å²	54	66 Å²	66	33%	0.327	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.2	172.7	-176	0	0	0	0	109.9	F167 D169 P208 K213	F167-V211 HydrophobicContact CB-CG2 4.29Å; F167-V211 HydrophobicContact CD1-CG1 3.83Å; F167-V211 HydrophobicContact CD1-CG2 4.13Å; F167-V211 HydrophobicContact CE1-CG1 4.44Å; F167-V211 CarbonylContact O-C 3.4Å; F167-V211 WeakPolarHBondContact O-CA 3.49Å; D169-V211 HydrophobicContact CB-CG1 4.03Å; P208-V211 HydrophobicContact CG-CG2 3.59Å; V211-K213 HydrophobicContact CG1-CD 4.44Å
212	L	84.3	Confident	83.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.6	178.3	-63.4	178.4	0	0	0	110.5	V78 V166 F167 V168 D169 L210 T214 C222 Q225 L226	V78-L212 HydrophobicContact CG1-CD1 4.02Å; V166-L212 HydrophobicContact CG1-CD1 3.71Å; V166-L212 HydrophobicContact CG1-CG 3.95Å; F167-L212 PolarHBondContact O-N 2.85Å; V168-L212 HydrophobicContact CG2-CD1 4.47Å; D169-L212 PolarHBondContact N-O 3.02Å; D169-L212 VanDerWaalsContact O-O 3.12Å; L210-L212 HydrophobicContact CD2-CD2 3.79Å; L210-L212 HydrophobicContact CD2-CG 4.25Å; L210-L212 HydrophobicContact CG-CD2 4.12Å; L210-L212 HydrophobicContact CG-CG 4.42Å; L212-T214 HydrophobicContact CB-CG2 4.36Å; L212-T214 PolarHBondContact O-N 2.68Å; L212-C222 HydrophobicContact CD1-CB 4.19Å; L212-C222 HydrophobicContact CD2-CB 4.13Å; L212-Q225 HydrophobicContact CD2-CB 4.12Å; L212-L226 HydrophobicContact CD1-CD1 3.87Å; L212-L226 HydrophobicContact CD1-CG 4.2Å
213	K	87.4	Confident	84	Confident	94 Å²	94	57.9 Å²	57.9	41%	0.409	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	82.8	177.8	-62.5	-69.4	-178.6	175.4	0	110.9	D169 V211 D215 S216 C217	D169-K213 HydrophobicContact CB-CD 4.21Å; D169-K213 WeakPolarHBondContact O-CA 3.3Å; D169-K213 IonicContact OD2-NZ 3.58Å; D169-K213 PolarHBondContact OD2-NZ 3.31Å; V211-K213 HydrophobicContact CG1-CD 4.44Å; K213-D215 PolarHBondContact O-N 3.36Å; K213-S216 PolarHBondContact O-N 2.82Å; K213-C217 WeakPolarHBondContact O-CB 3.35Å; K213-C217 PolarHBondContact O-N 3.41Å
214	T	82.2	Confident	84.2	Confident	3 Å²	3	59 Å²	59	2%	0.018	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.2	-169.4	73.5	0	0	0	0	114.7	A73 V168 D169 A170 R178 L212	A73-T214 PolarHBondContact O-OG1 2.64Å; V168-T214 HydrophobicContact CG1-CG2 3.52Å; D169-T214 PolarHBondContact O-N 2.83Å; D169-T214 VanDerWaalsContact O-N 3.09Å; A170-T214 WeakPolarHBondContact CB-OG1 3.48Å; R178-T214 PolarHBondContact NH1-OG1 3.39Å; R178-T214 PolarHBondContact NH2-O 3.44Å; L212-T214 HydrophobicContact CB-CG2 4.36Å; L212-T214 PolarHBondContact O-N 2.68Å
215	D	83.2	Confident	84.5	Confident	63 Å²	63	57.9 Å²	57.9	34%	0.337	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.3	166.7	66.2	-27.2	0	0	0	112.5	P171 K213	P171-D215 WeakPolarHBondContact CD-OD2 3.15Å; K213-D215 PolarHBondContact O-N 3.36Å
216	S	83.8	Confident	84.7	Confident	93 Å²	93	57.4 Å²	57.4	65%	0.65	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-24.2	-172.2	-54.5	0	0	0	0	113.2	K213	K213-S216 PolarHBondContact O-N 2.82Å
217	C	81.6	Confident	84.7	Confident	27 Å²	27	48 Å²	48	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-105.1	149.1	178.6	-60.5	0	0	0	0	111.7	A4 K213 E221	A4-C217 WeakPolarHBondContact CB-O 3.28Å; K213-C217 WeakPolarHBondContact O-CB 3.35Å; K213-C217 PolarHBondContact O-N 3.41Å; C217-E221 WeakPolarHBondContact CA-OE2 3.48Å; C217-E221 HydrophobicContact CB-CB 4.14Å
218	S	85.6	Confident	84.5	Confident	27 Å²	27	47.1 Å²	47.1	19%	0.189	25%	0.253	C	S	.	.			trans	-75	166.5	165	66.9	0	0	0	0	111.6	N220 E221 C222	S218-N220 VanDerWaalsContact C-N 3.31Å; S218-N220 PolarHBondContact O-N 3.03Å; S218-E221 WeakPolarHBondContact CB-OE2 3.48Å; S218-E221 PolarHBondContact N-OE2 2.83Å; S218-E221 PolarHBondContact O-N 3.07Å; S218-E221 VanDerWaalsContact OG-CD 3.29Å; S218-E221 WeakPolarHBondContact OG-CG 3.34Å; S218-E221 PolarHBondContact OG-N 2.76Å; S218-E221 PolarHBondContact OG-OE2 2.66Å; S218-C222 PolarHBondContact O-N 2.86Å; S218-C222 VanDerWaalsContact O-N 3.08Å; S218-C222 PolarHBondContact O-SG 2.97Å
219	V	80.4	Confident	84.4	Confident	42 Å²	42	46.2 Å²	46.2	26%	0.255	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-44.1	176.4	177.8	0	0	0	0	110.4	A4 T77 A81 E221 C222 I223	A4-V219 HydrophobicContact CB-CG2 4.15Å; T77-V219 HydrophobicContact CG2-CG1 4.37Å; T77-V219 HydrophobicContact CG2-CG2 3.84Å; A81-V219 HydrophobicContact CB-CG1 3.95Å; V219-E221 PolarHBondContact O-N 3.02Å; V219-C222 WeakPolarHBondContact O-CB 3.17Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.11Å; V219-I223 HydrophobicContact CG1-CG1 4.32Å; V219-I223 WeakPolarHBondContact O-CG1 3.44Å; V219-I223 PolarHBondContact O-N 2.94Å
220	N	78	Confident	84.3	Confident	131 Å²	131	43.7 Å²	43.7	70%	0.701	24%	0.235	S	C	*	.	H	α-helix	trans	-61.4	-42.5	179.3	-67.8	-3.5	0	0	0	112.1	S218 C222 I223 Q224	S218-N220 VanDerWaalsContact C-N 3.31Å; S218-N220 PolarHBondContact O-N 3.03Å; N220-C222 VanDerWaalsContact C-N 3.29Å; N220-C222 PolarHBondContact O-N 3.3Å; N220-I223 PolarHBondContact O-N 3.4Å; N220-Q224 WeakPolarHBondContact O-CB 3.48Å; N220-Q224 PolarHBondContact O-N 2.93Å
221	E	84	Confident	84.2	Confident	100 Å²	100	44.5 Å²	44.5	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-32.9	175.9	-72.1	161.3	149.5	0	0	112.2	C217 S218 V219 Q225	C217-E221 WeakPolarHBondContact CA-OE2 3.48Å; C217-E221 HydrophobicContact CB-CB 4.14Å; S218-E221 WeakPolarHBondContact CB-OE2 3.48Å; S218-E221 PolarHBondContact N-OE2 2.83Å; S218-E221 PolarHBondContact O-N 3.07Å; S218-E221 VanDerWaalsContact OG-CD 3.29Å; S218-E221 WeakPolarHBondContact OG-CG 3.34Å; S218-E221 PolarHBondContact OG-N 2.76Å; S218-E221 PolarHBondContact OG-OE2 2.66Å; V219-E221 PolarHBondContact O-N 3.02Å; E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 2.86Å; E221-Q225 PolarHBondContact O-NE2 2.94Å
222	C	81.6	Confident	83.9	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-41.2	174.2	-64.4	0	0	0	0	111.9	V78 L212 S218 V219 N220 L226	V78-C222 HydrophobicContact CG2-CB 4.32Å; L212-C222 HydrophobicContact CD1-CB 4.19Å; L212-C222 HydrophobicContact CD2-CB 4.13Å; S218-C222 PolarHBondContact O-N 2.86Å; S218-C222 VanDerWaalsContact O-N 3.08Å; S218-C222 PolarHBondContact O-SG 2.97Å; V219-C222 WeakPolarHBondContact O-CB 3.17Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.11Å; N220-C222 VanDerWaalsContact C-N 3.29Å; N220-C222 PolarHBondContact O-N 3.3Å; C222-L226 WeakPolarHBondContact O-CG 3.44Å; C222-L226 PolarHBondContact O-N 2.95Å
223	I	85.3	Confident	83.9	Confident	16 Å²	16	54.9 Å²	54.9	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-41.8	176.7	-63.6	-52.5	0	0	0	110.8	V78 A81 L82 Y85 V219 N220 Q225 L226 V227	V78-I223 HydrophobicContact CG1-CD1 4.29Å; A81-I223 HydrophobicContact CB-CD1 3.79Å; A81-I223 HydrophobicContact CB-CG1 3.88Å; L82-I223 HydrophobicContact CB-CD1 3.88Å; Y85-I223 HydrophobicContact CD2-CG2 4.32Å; Y85-I223 HydrophobicContact CG-CG2 4.37Å; V219-I223 HydrophobicContact CG1-CG1 4.32Å; V219-I223 WeakPolarHBondContact O-CG1 3.44Å; V219-I223 PolarHBondContact O-N 2.94Å; N220-I223 PolarHBondContact O-N 3.4Å; I223-Q225 PolarHBondContact O-N 2.89Å; I223-L226 HydrophobicContact CD1-CD1 4.42Å; I223-L226 WeakPolarHBondContact O-CB 3.28Å; I223-L226 PolarHBondContact O-N 3.27Å; I223-V227 HydrophobicContact CG2-CG2 4.09Å; I223-V227 VanDerWaalsContact O-CG2 3.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.15Å; I223-V227 PolarHBondContact O-N 3.43Å
224	Q	84.4	Confident	83.6	Confident	104 Å²	104	57.3 Å²	57.3	49%	0.486	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-51.6	176.7	-170.8	63.1	52.5	0	0	111.1	N220 L226 V227 D228	N220-Q224 WeakPolarHBondContact O-CB 3.48Å; N220-Q224 PolarHBondContact O-N 2.93Å; Q224-L226 PolarHBondContact O-N 2.89Å; Q224-V227 PolarHBondContact O-N 3.07Å; Q224-V227 VanDerWaalsContact O-N 3.09Å; Q224-D228 PolarHBondContact NE2-OD1 3.4Å; Q224-D228 WeakPolarHBondContact O-CB 3.37Å; Q224-D228 PolarHBondContact O-N 2.95Å
225	Q	85.4	Confident	83.6	Confident	61 Å²	61	57.6 Å²	57.6	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-36.2	177.6	-73.5	170	71.6	0	0	113.3	L210 L212 E221 I223 L229	L210-Q225 HydrophobicContact CD1-CB 4.29Å; L210-Q225 HydrophobicContact CD2-CB 4.04Å; L212-Q225 HydrophobicContact CD2-CB 4.12Å; E221-Q225 WeakPolarHBondContact O-CG 3.23Å; E221-Q225 PolarHBondContact O-N 2.86Å; E221-Q225 PolarHBondContact O-NE2 2.94Å; I223-Q225 PolarHBondContact O-N 2.89Å; Q225-L229 PolarHBondContact O-N 2.8Å; Q225-L229 VanDerWaalsContact O-N 3.11Å
226	L	86.3	Confident	83.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-43	176	-80.8	165.1	0	0	0	112.2	V34 V78 L82 V166 L210 L212 C222 I223 Q224 L229 L230	V34-L226 HydrophobicContact CG1-CD2 4.34Å; V78-L226 HydrophobicContact CG1-CD1 3.34Å; L82-L226 HydrophobicContact CD1-CB 4.49Å; L82-L226 HydrophobicContact CD2-CD1 4.25Å; V166-L226 HydrophobicContact CB-CD2 4.42Å; V166-L226 HydrophobicContact CG1-CD2 3.98Å; V166-L226 HydrophobicContact CG2-CD2 3.63Å; L210-L226 HydrophobicContact CD2-CD2 3.74Å; L210-L226 HydrophobicContact CD2-CG 3.89Å; L212-L226 HydrophobicContact CD1-CD1 3.87Å; L212-L226 HydrophobicContact CD1-CG 4.2Å; C222-L226 WeakPolarHBondContact O-CG 3.44Å; C222-L226 PolarHBondContact O-N 2.95Å; I223-L226 HydrophobicContact CD1-CD1 4.42Å; I223-L226 WeakPolarHBondContact O-CB 3.28Å; I223-L226 PolarHBondContact O-N 3.27Å; Q224-L226 PolarHBondContact O-N 2.89Å; L226-L229 PolarHBondContact O-N 3.18Å; L226-L230 VanDerWaalsContact O-CG 3.24Å; L226-L230 WeakPolarHBondContact O-CG 3.19Å; L226-L230 PolarHBondContact O-N 3.03Å
227	V	85.4	Confident	83.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-43.5	177.1	169.3	0	0	0	0	110.2	L82 Y85 I223 Q224 L229 L230 Q231 V236	L82-V227 HydrophobicContact CD1-CG2 4.37Å; Y85-V227 HydrophobicContact CD1-CG2 3.64Å; Y85-V227 HydrophobicContact CD2-CG2 4.28Å; Y85-V227 HydrophobicContact CE1-CB 4.36Å; Y85-V227 HydrophobicContact CE1-CG1 3.98Å; Y85-V227 HydrophobicContact CE1-CG2 3.38Å; Y85-V227 HydrophobicContact CE2-CG2 4.03Å; Y85-V227 HydrophobicContact CG-CG2 4.11Å; Y85-V227 WeakPolarHBondContact OH-CG1 3.3Å; I223-V227 HydrophobicContact CG2-CG2 4.09Å; I223-V227 VanDerWaalsContact O-CG2 3.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.15Å; I223-V227 PolarHBondContact O-N 3.43Å; Q224-V227 PolarHBondContact O-N 3.07Å; Q224-V227 VanDerWaalsContact O-N 3.09Å; V227-L229 PolarHBondContact O-N 3.07Å; V227-L230 CarbonylContact O-C 3.47Å; V227-L230 PolarHBondContact O-N 3.26Å; V227-L230 VanDerWaalsContact O-N 3.1Å; V227-Q231 HydrophobicContact CG1-CG 4.27Å; V227-Q231 WeakPolarHBondContact O-CB 3.49Å; V227-Q231 WeakPolarHBondContact O-CG 3.5Å; V227-Q231 PolarHBondContact O-N 3.37Å; V227-V236 HydrophobicContact CG1-CG1 4.41Å
228	D	84	Confident	83.1	Confident	57 Å²	57	55.6 Å²	55.6	31%	0.305	28%	0.282	S	S	.	.	H	α-helix	trans	-58.3	-48.8	176.6	-62.3	-19.6	0	0	0	110.5	Q224 L230 Q231 E232	Q224-D228 PolarHBondContact NE2-OD1 3.4Å; Q224-D228 WeakPolarHBondContact O-CB 3.37Å; Q224-D228 PolarHBondContact O-N 2.95Å; D228-L230 VanDerWaalsContact C-N 3.31Å; D228-L230 PolarHBondContact O-N 2.82Å; D228-Q231 PolarHBondContact O-N 2.83Å; D228-Q231 VanDerWaalsContact O-N 3.13Å; D228-E232 WeakPolarHBondContact O-CG 3.29Å; D228-E232 PolarHBondContact O-N 3.16Å
229	L	85.9	Confident	82.7	Confident	11 Å²	11	57 Å²	57	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-44.9	173.7	173.7	69.3	0	0	0	111.8	F164 E209 L210 Q225 L226 V227 Q231 R233	F164-L229 HydrophobicContact CB-CD2 4.33Å; F164-L229 HydrophobicContact CD1-CD2 4.33Å; F164-L229 HydrophobicContact CG-CD2 4.46Å; E209-L229 HydrophobicContact CB-CD1 4.42Å; E209-L229 HydrophobicContact CB-CD2 4.19Å; L210-L229 HydrophobicContact CB-CD2 4.08Å; L210-L229 HydrophobicContact CD2-CD2 4.48Å; Q225-L229 PolarHBondContact O-N 2.8Å; Q225-L229 VanDerWaalsContact O-N 3.11Å; L226-L229 PolarHBondContact O-N 3.18Å; V227-L229 PolarHBondContact O-N 3.07Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.34Å; L229-R233 HydrophobicContact CD1-CG 4.24Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 WeakPolarHBondContact O-CG 3.34Å; L229-R233 PolarHBondContact O-N 3.18Å
230	L	85.6	Confident	82.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-70.8	-27.2	-179.2	-68.1	176	0	0	0	112.5	V34 L82 F164 L226 V227 D228 D234 I235 V236	V34-L230 HydrophobicContact CG2-CD2 4.06Å; L82-L230 HydrophobicContact CD1-CD1 4.46Å; F164-L230 HydrophobicContact CD2-CD2 3.91Å; F164-L230 HydrophobicContact CE2-CD2 3.82Å; L226-L230 VanDerWaalsContact O-CG 3.24Å; L226-L230 WeakPolarHBondContact O-CG 3.19Å; L226-L230 PolarHBondContact O-N 3.03Å; V227-L230 CarbonylContact O-C 3.47Å; V227-L230 PolarHBondContact O-N 3.26Å; V227-L230 VanDerWaalsContact O-N 3.1Å; D228-L230 VanDerWaalsContact C-N 3.31Å; D228-L230 PolarHBondContact O-N 2.82Å; L230-D234 PolarHBondContact O-N 3.05Å; L230-I235 HydrophobicContact CB-CB 4.21Å; L230-I235 HydrophobicContact CD2-CB 4.06Å; L230-I235 HydrophobicContact CD2-CG1 4.2Å; L230-I235 HydrophobicContact CD2-CG2 4.09Å; L230-I235 WeakPolarHBondContact O-CA 3.34Å; L230-I235 WeakPolarHBondContact O-CB 3.36Å; L230-I235 PolarHBondContact O-N 3.14Å; L230-V236 HydrophobicContact CB-CB 4Å; L230-V236 HydrophobicContact CB-CG2 3.54Å; L230-V236 HydrophobicContact CD1-CG2 3.91Å; L230-V236 HydrophobicContact CG-CG2 4.38Å; L230-V236 PolarHBondContact O-N 3.23Å
231	Q	83.8	Confident	83	Confident	47 Å²	47	52.9 Å²	52.9	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-45.4	173.2	-74.7	175.8	-19.2	0	0	111.8	V227 D228 L229 R233 D234 V236 V238	V227-Q231 HydrophobicContact CG1-CG 4.27Å; V227-Q231 WeakPolarHBondContact O-CB 3.49Å; V227-Q231 WeakPolarHBondContact O-CG 3.5Å; V227-Q231 PolarHBondContact O-N 3.37Å; D228-Q231 PolarHBondContact O-N 2.83Å; D228-Q231 VanDerWaalsContact O-N 3.13Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.34Å; Q231-R233 PolarHBondContact O-N 3.15Å; Q231-R233 VanDerWaalsContact O-N 3.11Å; Q231-D234 PolarHBondContact O-N 3.31Å; Q231-D234 VanDerWaalsContact O-N 3.11Å; Q231-V236 WeakPolarHBondContact CA-O 3.46Å; Q231-V236 HydrophobicContact CG-CB 3.92Å; Q231-V236 HydrophobicContact CG-CG1 3.81Å; Q231-V236 WeakPolarHBondContact CG-O 3.33Å; Q231-V238 HydrophobicContact CB-CG2 3.99Å; Q231-V238 HydrophobicContact CG-CG2 4.01Å
232	E	83.4	Confident	83.1	Confident	148 Å²	148	49.8 Å²	49.8	69%	0.692	26%	0.257	S	S	*	.	H	α-helix	trans	-58.9	-23	174.6	-73.5	177.3	-178	0	0	113.2	D228	D228-E232 WeakPolarHBondContact O-CG 3.29Å; D228-E232 PolarHBondContact O-N 3.16Å
233	R	84.4	Confident	83.6	Confident	124 Å²	124	57 Å²	57	47%	0.468	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	15.2	-177.9	-57	-65.5	-172.6	98.6	7.6	113.1	F164 L229 Q231 I235	F164-R233 HydrophobicContact CE1-CB 3.9Å; F164-R233 HydrophobicContact CE1-CG 3.69Å; F164-R233 HydrophobicContact CZ-CB 3.76Å; F164-R233 HydrophobicContact CZ-CG 4.11Å; L229-R233 HydrophobicContact CD1-CG 4.24Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 WeakPolarHBondContact O-CG 3.34Å; L229-R233 PolarHBondContact O-N 3.18Å; Q231-R233 PolarHBondContact O-N 3.15Å; Q231-R233 VanDerWaalsContact O-N 3.11Å; R233-I235 HydrophobicContact CB-CG1 4.47Å; R233-I235 PolarHBondContact O-N 3.35Å; R233-I235 VanDerWaalsContact O-N 3.13Å
234	D	81	Confident	84.1	Confident	145 Å²	145	57.2 Å²	57.2	78%	0.775	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	21.5	175.7	-59.4	-54.4	0	0	0	115.4	L230 Q231	L230-D234 PolarHBondContact O-N 3.05Å; Q231-D234 PolarHBondContact O-N 3.31Å; Q231-D234 VanDerWaalsContact O-N 3.11Å
235	I	82.7	Confident	84.7	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.046	29%	0.288	C	S	.	.	S	Bend	trans	-84.3	-49	175.3	-57.5	-57.2	0	0	0	110.4	C32 V136 P162 F164 L230 R233	C32-I235 HydrophobicContact CB-CD1 3.91Å; C32-I235 HydrophobicContact CB-CG1 4.35Å; V136-I235 HydrophobicContact CG2-CG2 3.91Å; P162-I235 HydrophobicContact CB-CD1 4.46Å; P162-I235 HydrophobicContact CG-CD1 4.21Å; F164-I235 HydrophobicContact CE2-CD1 4.42Å; F164-I235 HydrophobicContact CE2-CG1 3.84Å; F164-I235 HydrophobicContact CZ-CD1 4.5Å; F164-I235 HydrophobicContact CZ-CG1 3.93Å; L230-I235 HydrophobicContact CB-CB 4.21Å; L230-I235 HydrophobicContact CD2-CB 4.06Å; L230-I235 HydrophobicContact CD2-CG1 4.2Å; L230-I235 HydrophobicContact CD2-CG2 4.09Å; L230-I235 WeakPolarHBondContact O-CA 3.34Å; L230-I235 WeakPolarHBondContact O-CB 3.36Å; L230-I235 PolarHBondContact O-N 3.14Å; R233-I235 HydrophobicContact CB-CG1 4.47Å; R233-I235 PolarHBondContact O-N 3.35Å; R233-I235 VanDerWaalsContact O-N 3.13Å
236	V	82.5	Confident	85.3	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	29%	0.291	C	S	.	.	S	Bend	trans	-99.3	126	174.7	174.7	0	0	0	0	106.8	L86 I91 V227 L230 Q231	L86-V236 HydrophobicContact CD2-CG2 3.78Å; I91-V236 HydrophobicContact CD1-CB 4.2Å; I91-V236 HydrophobicContact CD1-CG1 4.04Å; I91-V236 HydrophobicContact CD1-CG2 3.78Å; V227-V236 HydrophobicContact CG1-CG1 4.41Å; L230-V236 HydrophobicContact CB-CB 4Å; L230-V236 HydrophobicContact CB-CG2 3.54Å; L230-V236 HydrophobicContact CD1-CG2 3.91Å; L230-V236 HydrophobicContact CG-CG2 4.38Å; L230-V236 PolarHBondContact O-N 3.23Å; Q231-V236 WeakPolarHBondContact CA-O 3.46Å; Q231-V236 HydrophobicContact CG-CB 3.92Å; Q231-V236 HydrophobicContact CG-CG1 3.81Å; Q231-V236 WeakPolarHBondContact CG-O 3.33Å
237	P	77.4	Confident	85.9	Confident	34 Å²	34	57.8 Å²	57.8	22%	0.221	29%	0.294	C	S	.	.			trans	-71.8	149	176.4	33.2	-30.4	0	0	0	109.1	R30 D239	R30-P237 VanDerWaalsContact NH1-CG 3.33Å; P237-D239 PolarHBondContact O-N 2.83Å
238	V	77.9	Confident	86.5	Confident	105 Å²	105	59.5 Å²	59.5	64%	0.636	30%	0.301	S	S	*	.			trans	-79.7	102.5	164.9	-177	0	0	0	0	106.9	Q231	Q231-V238 HydrophobicContact CB-CG2 3.99Å; Q231-V238 HydrophobicContact CG-CG2 4.01Å
239	D	77.2	Confident	87.1	Confident	57 Å²	57	57.9 Å²	57.9	31%	0.305	29%	0.292	S	S	.	.			trans	-65	150.2	176.6	-69.6	-21.7	0	0	0	109.7	R26 P237 S241 G309	R26-D239 IonicContact CZ-OD1 3.38Å; R26-D239 IonicContact CZ-OD2 3.55Å; R26-D239 IonicContact NH1-OD1 2.81Å; R26-D239 IonicContact NH2-OD1 3.08Å; R26-D239 PolarHBondContact NH2-OD1 2.69Å; R26-D239 IonicContact NH2-OD2 2.9Å; R26-D239 PolarHBondContact NH2-OD2 2.88Å; P237-D239 PolarHBondContact O-N 2.83Å; D239-S241 PolarHBondContact O-N 3.39Å; D239-G309 CarbonylContact C-O 3.55Å; D239-G309 VanDerWaalsContact CA-O 3.31Å; D239-G309 WeakPolarHBondContact CA-O 3.48Å
240	A	80.1	Confident	87.4	Confident	30 Å²	30	63 Å²	63	25%	0.248	32%	0.316	C	S	.	.			trans	-58.9	128.4	177.4	0	0	0	0	0	109.6	G309 I312	A240-G309 PolarHBondContact N-O 3.32Å; A240-I312 HydrophobicContact CB-CD1 3.98Å; A240-I312 HydrophobicContact CB-CG1 3.6Å
241	S	85	Confident	87.7	Confident	56 Å²	56	71.5 Å²	71.5	39%	0.392	36%	0.356	S	S	.	.			trans	-119.2	154	-172	-178.6	0	0	0	0	111.7	D239 E243 T286	D239-S241 PolarHBondContact O-N 3.39Å; S241-E243 VanDerWaalsContact C-N 3.32Å; S241-E243 WeakPolarHBondContact OG-CB 3.44Å; S241-E243 PolarHBondContact OG-N 3.46Å; S241-T286 WeakPolarHBondContact O-CG2 3.35Å
242	Y	86.4	Confident	88.2	Confident	35 Å²	35	75.4 Å²	75.4	14%	0.137	38%	0.378	C	S	.	.			trans	-91.7	8	167.6	-72.2	-77	0	0	0	112.7	V244 I312 N313 R518 M521 V522 G561	Y242-V244 PolarHBondContact O-N 2.87Å; Y242-I312 HydrophobicContact CD2-CD1 3.93Å; Y242-I312 HydrophobicContact CE1-CD1 4.24Å; Y242-I312 HydrophobicContact CE1-CG2 3.89Å; Y242-I312 HydrophobicContact CE2-CD1 3.5Å; Y242-I312 HydrophobicContact CG-CD1 4.45Å; Y242-I312 WeakPolarHBondContact OH-CA 3.18Å; Y242-N313 PolarHBondContact OH-N 2.92Å; Y242-R518 VanDerWaalsContact CE1-NH2 3.34Å; Y242-M521 HydrophobicContact CD1-CE 3.65Å; Y242-M521 HydrophobicContact CD2-CE 3.91Å; Y242-M521 HydrophobicContact CE1-CE 3.34Å; Y242-M521 HydrophobicContact CE2-CE 3.65Å; Y242-M521 HydrophobicContact CG-CE 3.9Å; Y242-V522 HydrophobicContact CD1-CG2 3.77Å; Y242-G561 WeakPolarHBondContact CE2-O 3.23Å; Y242-G561 PolarHBondContact OH-O 3.09Å
243	E	91.3	Very high	88.7	Confident	152 Å²	152	73.6 Å²	73.6	71%	0.71	37%	0.368	S	S	*	.	S	Bend	trans	-61.7	125.7	169.9	-175.7	176.2	-173.9	0	0	110.4	S241 K245 T286	S241-E243 VanDerWaalsContact C-N 3.32Å; S241-E243 WeakPolarHBondContact OG-CB 3.44Å; S241-E243 PolarHBondContact OG-N 3.46Å; E243-K245 PolarHBondContact O-N 2.71Å; E243-T286 WeakPolarHBondContact O-CG2 3.08Å
244	V	95.8	Very high	89.3	Confident	20 Å²	20	69 Å²	69	12%	0.121	35%	0.353	C	S	.	.			trans	-59.5	115.4	-168.8	178.3	0	0	0	0	109.9	Y242 E246 P410 N411 K414 V522	Y242-V244 PolarHBondContact O-N 2.87Å; V244-E246 HydrophobicContact CG1-CG 4.19Å; V244-P410 HydrophobicContact CG1-CB 4.12Å; V244-P410 HydrophobicContact CG2-CB 3.82Å; V244-N411 WeakPolarHBondContact CG1-ND2 3.5Å; V244-K414 VanDerWaalsContact CG2-NZ 3.33Å; V244-V522 HydrophobicContact CG2-CG1 3.79Å
245	K	96.8	Very high	90	Very high	90 Å²	90	68.3 Å²	68.3	39%	0.391	35%	0.349	S	S	.	.			trans	-103.1	98.2	174.6	-174	175.2	-171.6	164.3	0	109.3	E243 L247 G283 T286 N289	E243-K245 PolarHBondContact O-N 2.71Å; K245-L247 HydrophobicContact CG-CD2 4.22Å; K245-G283 WeakPolarHBondContact O-CA 3.37Å; K245-T286 HydrophobicContact CB-CG2 4.38Å; K245-T286 PolarHBondContact N-OG1 2.94Å; K245-N289 WeakPolarHBondContact CE-OD1 3.35Å; K245-N289 PolarHBondContact NZ-OD1 3.4Å
246	E	98.3	Very high	90.7	Very high	75 Å²	75	74.2 Å²	74.2	35%	0.35	38%	0.38	S	S	.	.			trans	-74.7	144.3	170.5	-69.1	-179.3	-164.6	0	0	110.4	V244 A281 N411	V244-E246 HydrophobicContact CG1-CG 4.19Å; E246-A281 CarbonylContact C-O 3.59Å; E246-A281 VanDerWaalsContact CA-O 3.27Å; E246-A281 WeakPolarHBondContact CA-O 3.35Å; E246-A281 WeakPolarHBondContact CB-O 3.45Å; E246-N411 PolarHBondContact OE1-ND2 3.14Å
247	L	98.6	Very high	91.4	Very high	13 Å²	13	74.5 Å²	74.5	7%	0.068	38%	0.382	C	S	.	.			trans	-108.1	12.3	178.9	-54.6	-177.9	0	0	0	112.2	K245 L280 A281 L391 V393	K245-L247 HydrophobicContact CG-CD2 4.22Å; L247-L280 HydrophobicContact CD1-CB 4.12Å; L247-A281 PolarHBondContact N-O 3.17Å; L247-L391 HydrophobicContact CD1-CB 4.24Å; L247-V393 PolarHBondContact O-N 3.1Å
248	Y	98.4	Very high	92.3	Very high	39 Å²	39	76 Å²	76	15%	0.153	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-67	139.8	168.5	-71.4	-64.3	0	0	0	110.8	A281 E282 V393 R396 I397	Y248-A281 HydrophobicContact CD1-CB 4.15Å; Y248-A281 HydrophobicContact CD2-CB 4.22Å; Y248-A281 WeakPolarHBondContact CD2-O 3.34Å; Y248-A281 HydrophobicContact CE1-CB 3.63Å; Y248-A281 HydrophobicContact CE2-CB 3.73Å; Y248-A281 HydrophobicContact CG-CB 4.41Å; Y248-A281 VanDerWaalsContact CZ-CB 3.41Å; Y248-E282 HydrophobicContact CE2-CG 3.99Å; Y248-V393 CarbonylContact C-O 3.57Å; Y248-V393 WeakPolarHBondContact CA-O 3.38Å; Y248-V393 HydrophobicContact CD1-CB 3.88Å; Y248-V393 HydrophobicContact CD1-CG1 3.78Å; Y248-V393 HydrophobicContact CE1-CB 4.13Å; Y248-V393 HydrophobicContact CE1-CG1 3.59Å; Y248-R396 HydrophobicContact CE1-CB 4.37Å; Y248-I397 HydrophobicContact CE1-CG1 4.41Å; Y248-I397 PolarHBondContact OH-N 2.64Å
249	V	96.5	Very high	93.3	Very high	22 Å²	22	73.9 Å²	73.9	13%	0.133	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.6	136.5	167.1	178.5	0	0	0	0	108.4	E251 K253 A257 Q392 V393 L394	V249-E251 PolarHBondContact O-N 2.89Å; V249-K253 HydrophobicContact CG1-CB 3.82Å; V249-A257 HydrophobicContact CB-CB 4.48Å; V249-A257 HydrophobicContact CG1-CB 3.92Å; V249-A257 HydrophobicContact CG2-CB 4.05Å; V249-Q392 HydrophobicContact CG2-CB 3.88Å; V249-V393 PolarHBondContact N-O 2.99Å; V249-L394 HydrophobicContact CG2-CD2 4.34Å
250	Q	92.6	Very high	94.2	Very high	118 Å²	118	74 Å²	74	55%	0.551	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-55.6	138.2	174.5	-65.1	176.3	-27	0	0	110.4	N252 K253 L254	Q250-N252 WeakPolarHBondContact CB-OD1 3.35Å; Q250-N252 PolarHBondContact O-N 2.9Å; Q250-N252 VanDerWaalsContact O-N 3.1Å; Q250-K253 WeakPolarHBondContact O-CA 3.1Å; Q250-K253 PolarHBondContact O-N 3.46Å; Q250-L254 PolarHBondContact O-N 2.79Å
251	E	91.8	Very high	95	Very high	180 Å²	180	72.5 Å²	72.5	84%	0.841	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53	-39.2	-173.9	-171.2	175.8	-168.4	0	0	112.8	V249 K253 L254	V249-E251 PolarHBondContact O-N 2.89Å; E251-K253 PolarHBondContact O-N 3.47Å; E251-L254 WeakPolarHBondContact O-CB 3.22Å; E251-L254 PolarHBondContact O-N 3.37Å
252	N	93.9	Very high	95.6	Very high	129 Å²	129	75.5 Å²	75.5	69%	0.69	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-68.8	-10	177.7	67.2	-20.8	0	0	0	115.3	Q250	Q250-N252 WeakPolarHBondContact CB-OD1 3.35Å; Q250-N252 PolarHBondContact O-N 2.9Å; Q250-N252 VanDerWaalsContact O-N 3.1Å
253	K	95.1	Very high	96.2	Very high	110 Å²	110	79.1 Å²	79.1	48%	0.478	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-114.9	-0.6	178.4	-67.6	175	-177.4	164.4	0	112.6	V249 Q250 E251 D255 L256 A257	V249-K253 HydrophobicContact CG1-CB 3.82Å; Q250-K253 WeakPolarHBondContact O-CA 3.1Å; Q250-K253 PolarHBondContact O-N 3.46Å; E251-K253 PolarHBondContact O-N 3.47Å; K253-D255 PolarHBondContact O-N 3.09Å; K253-L256 PolarHBondContact O-N 3.04Å; K253-A257 PolarHBondContact O-N 2.93Å
254	L	95.8	Very high	96.5	Very high	29 Å²	29	73 Å²	73	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-45.9	-171.3	-178.8	59.2	0	0	0	112.7	Q250 E251 L256 A257 K258 L394	Q250-L254 PolarHBondContact O-N 2.79Å; E251-L254 WeakPolarHBondContact O-CB 3.22Å; E251-L254 PolarHBondContact O-N 3.37Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.27Å; L254-A257 PolarHBondContact O-N 3.5Å; L254-K258 HydrophobicContact CD1-CG 4.37Å; L254-K258 HydrophobicContact CG-CD 4.32Å; L254-K258 WeakPolarHBondContact O-CG 3.42Å; L254-K258 PolarHBondContact O-N 3.06Å; L254-L394 VanDerWaalsContact CD1-C 3.43Å; L254-L394 HydrophobicContact CD1-CB 3.99Å; L254-L394 HydrophobicContact CD1-CD2 4.46Å; L254-L394 WeakPolarHBondContact CD1-O 3.41Å
255	D	96.3	Very high	96.6	Very high	129 Å²	129	74.5 Å²	74.5	69%	0.69	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-38.5	-179.2	-68.6	-28.2	0	0	0	112.3	K253 K258 A259	K253-D255 PolarHBondContact O-N 3.09Å; D255-K258 PolarHBondContact O-N 3Å; D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.34Å
256	L	96.3	Very high	96.6	Very high	133 Å²	133	71.4 Å²	71.4	70%	0.696	37%	0.374	S	S	*	.	H	α-helix	trans	-65.5	-43.4	174.5	-68.2	172.9	0	0	0	111.2	K253 L254 K258 A259 D260	K253-L256 PolarHBondContact O-N 3.04Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.27Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-A259 PolarHBondContact O-N 3Å; L256-D260 WeakPolarHBondContact O-CB 3.49Å; L256-D260 PolarHBondContact O-N 3.47Å
257	A	97.2	Very high	96.6	Very high	8 Å²	8	68 Å²	68	7%	0.066	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-35.4	177.5	0	0	0	0	0	112.2	V249 K253 L254 D260 A261 L394	V249-A257 HydrophobicContact CB-CB 4.48Å; V249-A257 HydrophobicContact CG1-CB 3.92Å; V249-A257 HydrophobicContact CG2-CB 4.05Å; K253-A257 PolarHBondContact O-N 2.93Å; L254-A257 PolarHBondContact O-N 3.5Å; A257-D260 PolarHBondContact O-N 3.24Å; A257-A261 WeakPolarHBondContact O-CB 3.41Å; A257-A261 PolarHBondContact O-N 2.95Å; A257-L394 HydrophobicContact CB-CD2 3.57Å
258	K	97.9	Very high	96.6	Very high	66 Å²	66	73.8 Å²	73.8	29%	0.287	39%	0.386	S	S	.	.	H	α-helix	trans	-64.4	-45.4	172.5	-75.6	177.4	176.4	178.5	0	111.7	L254 D255 L256 D260 A261 E262 L394 D395	L254-K258 HydrophobicContact CD1-CG 4.37Å; L254-K258 HydrophobicContact CG-CD 4.32Å; L254-K258 WeakPolarHBondContact O-CG 3.42Å; L254-K258 PolarHBondContact O-N 3.06Å; D255-K258 PolarHBondContact O-N 3Å; L256-K258 VanDerWaalsContact C-N 3.34Å; K258-D260 VanDerWaalsContact C-N 3.35Å; K258-D260 PolarHBondContact O-N 3.4Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 3.24Å; K258-E262 PolarHBondContact O-N 3.38Å; K258-E262 VanDerWaalsContact O-N 3.14Å; K258-L394 HydrophobicContact CG-CD1 4.28Å; K258-L394 HydrophobicContact CG-CD2 4.47Å; K258-D395 VanDerWaalsContact CE-CG 3.44Å; K258-D395 WeakPolarHBondContact CE-OD1 3.38Å; K258-D395 WeakPolarHBondContact CE-OD2 3.17Å; K258-D395 VanDerWaalsContact NZ-CG 3.3Å; K258-D395 IonicContact NZ-OD1 3.68Å; K258-D395 PolarHBondContact NZ-OD1 3.1Å; K258-D395 IonicContact NZ-OD2 3.62Å; K258-D395 PolarHBondContact NZ-OD2 3.32Å; K258-D395 VanDerWaalsContact NZ-OD2 3.16Å
259	A	97.1	Very high	96.6	Very high	60 Å²	60	72.6 Å²	72.6	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.3	0	0	0	0	0	111.9	D255 L256 E262	D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.34Å; L256-A259 PolarHBondContact O-N 3Å; A259-E262 PolarHBondContact O-N 2.94Å
260	D	96.8	Very high	96.7	Very high	59 Å²	59	73.1 Å²	73.1	32%	0.316	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-51	172.7	-177.3	24.2	0	0	0	110.6	L256 A257 K258 E262 T263 I347 R349	L256-D260 WeakPolarHBondContact O-CB 3.49Å; L256-D260 PolarHBondContact O-N 3.47Å; A257-D260 PolarHBondContact O-N 3.24Å; K258-D260 VanDerWaalsContact C-N 3.35Å; K258-D260 PolarHBondContact O-N 3.4Å; D260-E262 PolarHBondContact O-N 3.24Å; D260-E262 VanDerWaalsContact O-N 3.13Å; D260-T263 PolarHBondContact O-N 3.34Å; D260-T263 PolarHBondContact O-OG1 3.41Å; D260-I347 HydrophobicContact CB-CD1 4.49Å; D260-R349 IonicContact OD2-CZ 2.68Å; D260-R349 IonicContact OD2-NH2 3.16Å; D260-R349 PolarHBondContact OD2-NH2 3.05Å
261	A	97.6	Very high	97	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-54.3	-36.9	-179.8	0	0	0	0	0	113.1	A257 K258 T263 L264 R344 I347 L394	A257-A261 WeakPolarHBondContact O-CB 3.41Å; A257-A261 PolarHBondContact O-N 2.95Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 3.24Å; A261-T263 VanDerWaalsContact C-N 3.25Å; A261-T263 PolarHBondContact O-N 3.21Å; A261-L264 PolarHBondContact O-N 3.14Å; A261-R344 HydrophobicContact CB-CB 4.38Å; A261-R344 VanDerWaalsContact O-CD 3.22Å; A261-R344 WeakPolarHBondContact O-CD 3.48Å; A261-R344 PolarHBondContact O-NE 2.91Å; A261-R344 PolarHBondContact O-NH1 3.49Å; A261-I347 HydrophobicContact CB-CD1 3.92Å; A261-I347 HydrophobicContact CB-CG1 3.84Å; A261-L394 HydrophobicContact CB-CD1 3.9Å
262	E	97.7	Very high	97.3	Very high	119 Å²	119	66.4 Å²	66.4	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-64.4	-27.6	179	-71.7	-54.5	152.9	0	0	114	K258 A259 D260 R344	K258-E262 PolarHBondContact O-N 3.38Å; K258-E262 VanDerWaalsContact O-N 3.14Å; A259-E262 PolarHBondContact O-N 2.94Å; D260-E262 PolarHBondContact O-N 3.24Å; D260-E262 VanDerWaalsContact O-N 3.13Å; E262-R344 PolarHBondContact O-NH2 2.9Å; E262-R344 VanDerWaalsContact O-NH2 3.12Å; E262-R344 WeakPolarHBondContact OE1-CD 3.33Å; E262-R344 IonicContact OE1-NE 2.65Å; E262-R344 IonicContact OE2-CZ 2.84Å; E262-R344 IonicContact OE2-NE 3.78Å; E262-R344 PolarHBondContact OE2-NE 2.86Å; E262-R344 IonicContact OE2-NH2 3.59Å
263	T	97.7	Very high	97.5	Very high	110 Å²	110	61.7 Å²	61.7	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-80.9	-18.2	178.3	72.4	0	0	0	0	113.2	D260 A261	D260-T263 PolarHBondContact O-N 3.34Å; D260-T263 PolarHBondContact O-OG1 3.41Å; A261-T263 VanDerWaalsContact C-N 3.25Å; A261-T263 PolarHBondContact O-N 3.21Å
264	L	98.2	Very high	97.7	Very high	24 Å²	24	57 Å²	57	13%	0.126	31%	0.314	C	S	.	.	S	Bend	trans	-81.5	150.7	-172.8	-61.7	178.9	0	0	0	112.5	A261 A335 A337 R344 I347	A261-L264 PolarHBondContact O-N 3.14Å; L264-A335 HydrophobicContact CD1-CB 3.83Å; L264-A335 HydrophobicContact CD2-CB 3.93Å; L264-A337 HydrophobicContact CB-CB 4.39Å; L264-R344 PolarHBondContact O-NH1 3.37Å; L264-R344 PolarHBondContact O-NH2 3.05Å; L264-I347 HydrophobicContact CD1-CB 4.43Å; L264-I347 HydrophobicContact CD1-CD1 4.22Å; L264-I347 HydrophobicContact CD1-CG1 4.13Å; L264-I347 HydrophobicContact CD1-CG2 3.52Å
265	P	98.1	Very high	97.8	Very high	51 Å²	51	56.1 Å²	56.1	33%	0.331	31%	0.309	S	S	.	.			trans	-61.3	150	164.9	30	-35.5	0	0	0	109.8	L330 V333 M336 A337	P265-L330 HydrophobicContact CB-CD2 3.74Å; P265-L330 HydrophobicContact CG-CD2 4.07Å; P265-V333 HydrophobicContact CG-CB 4.39Å; P265-V333 HydrophobicContact CG-CG1 4.11Å; P265-V333 HydrophobicContact CG-CG2 4.47Å; P265-M336 CarbonylContact O-C 3.51Å; P265-M336 VanDerWaalsContact O-CA 3.3Å; P265-M336 WeakPolarHBondContact O-CA 3.3Å; P265-A337 PolarHBondContact O-N 2.74Å
266	A	97.5	Very high	98	Very high	25 Å²	25	50.4 Å²	50.4	21%	0.207	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.5	-173	0	0	0	0	0	113.1	R329 A337 V339	A266-R329 PolarHBondContact O-NH1 3.1Å; A266-R329 PolarHBondContact O-NH2 2.88Å; A266-A337 CarbonylContact C-O 3.58Å; A266-A337 VanDerWaalsContact CA-O 3.27Å; A266-A337 WeakPolarHBondContact CA-O 3.21Å; A266-V339 HydrophobicContact CB-CG2 3.68Å
267	V	97.7	Very high	98.1	Very high	5 Å²	5	44 Å²	44	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.1	165.1	63.2	0	0	0	0	109.2	I269 V322 L330 M336 A337 L338 V339	V267-I269 HydrophobicContact CG1-CG2 4.45Å; V267-V322 HydrophobicContact CG2-CG1 4.2Å; V267-L330 HydrophobicContact CB-CD1 3.94Å; V267-L330 HydrophobicContact CG2-CD1 4.42Å; V267-M336 HydrophobicContact CG1-SD 4.21Å; V267-A337 PolarHBondContact N-O 3.34Å; V267-L338 HydrophobicContact CG1-CD2 3.35Å; V267-V339 PolarHBondContact O-N 3.38Å
268	Q	98.3	Very high	98.2	Very high	133 Å²	133	43.7 Å²	43.7	62%	0.621	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	134.4	176.7	-64.9	-64	-32.3	0	0	109.1	V339	Q268-V339 WeakPolarHBondContact CA-O 3.5Å; Q268-V339 PolarHBondContact OE1-O 3.4Å
269	I	98.6	Very high	98.2	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.072	23%	0.228	C	C	.	.			trans	-119.7	149.5	179.2	68.8	165.8	0	0	0	110.9	V267 D273 M274 V277 L320 L338 V339 V345	V267-I269 HydrophobicContact CG1-CG2 4.45Å; I269-D273 HydrophobicContact CB-CB 3.8Å; I269-D273 HydrophobicContact CD1-CB 4.26Å; I269-D273 HydrophobicContact CG1-CB 4.45Å; I269-D273 HydrophobicContact CG2-CB 4.49Å; I269-M274 HydrophobicContact CD1-CB 4.4Å; I269-M274 HydrophobicContact CD1-SD 4.26Å; I269-V277 HydrophobicContact CD1-CG2 4Å; I269-L320 HydrophobicContact CG2-CD1 3.99Å; I269-L338 HydrophobicContact CD1-CB 4.2Å; I269-L338 HydrophobicContact CG2-CB 4.27Å; I269-L338 HydrophobicContact CG2-CD2 4.37Å; I269-V339 WeakPolarHBondContact CG1-O 3.38Å; I269-V339 PolarHBondContact N-O 3.41Å; I269-V345 HydrophobicContact CD1-CG2 4.14Å
270	G	98.3	Very high	98.3	Very high	34 Å²	34	37.9 Å²	37.9	35%	0.351	21%	0.205	S	C	.	.			trans	-82.3	178.1	176.9	0	0	0	0	0	112.9	L272 D273 M274	G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.45Å; G270-D273 PolarHBondContact N-OD2 3.4Å; G270-D273 PolarHBondContact O-N 3.12Å; G270-M274 PolarHBondContact O-N 3.44Å
271	K	98.5	Very high	98.4	Very high	122 Å²	122	35 Å²	35	53%	0.53	19%	0.19	S	C	.	.	H	α-helix	trans	-63.9	-36.7	176	-175.9	173	179.9	179.3	0	112.5	M274 Q275 Y340 W399	K271-M274 PolarHBondContact O-N 3.41Å; K271-Q275 WeakPolarHBondContact O-CG 3.13Å; K271-Q275 PolarHBondContact O-N 2.88Å; K271-Q275 VanDerWaalsContact O-N 3.09Å; K271-Y340 HydrophobicContact CB-CE2 4.08Å; K271-W399 HydrophobicContact CD-CZ3 4.2Å; K271-W399 HydrophobicContact CG-CH2 3.99Å; K271-W399 HydrophobicContact CG-CZ3 3.84Å
272	L	98.4	Very high	98.5	Very high	35 Å²	35	35.1 Å²	35.1	18%	0.183	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-46.1	176.8	-177.2	69.8	0	0	0	110.9	G270 M274 Q275 W276 Y375 M378 W467 P504	G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.45Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.46Å; L272-Q275 WeakPolarHBondContact O-CB 3.37Å; L272-Q275 PolarHBondContact O-N 3.16Å; L272-W276 PolarHBondContact O-N 2.77Å; L272-W276 VanDerWaalsContact O-N 3.17Å; L272-Y375 HydrophobicContact CD1-CE2 4.09Å; L272-M378 HydrophobicContact CD1-CE 4.4Å; L272-M378 HydrophobicContact CD2-CE 4.03Å; L272-M378 HydrophobicContact CD2-SD 4.07Å; L272-W467 HydrophobicContact CD1-CB 3.75Å; L272-W467 HydrophobicContact CD1-CG 4.23Å; L272-P504 HydrophobicContact CD1-CB 3.57Å; L272-P504 HydrophobicContact CD1-CG 3.59Å
273	D	98.7	Very high	98.5	Very high	29 Å²	29	29.5 Å²	29.5	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.8	-51.8	-48.7	0	0	0	110.8	I269 G270 Q275 W276 V277 L320	I269-D273 HydrophobicContact CB-CB 3.8Å; I269-D273 HydrophobicContact CD1-CB 4.26Å; I269-D273 HydrophobicContact CG1-CB 4.45Å; I269-D273 HydrophobicContact CG2-CB 4.49Å; G270-D273 PolarHBondContact N-OD2 3.4Å; G270-D273 PolarHBondContact O-N 3.12Å; D273-Q275 VanDerWaalsContact C-N 3.25Å; D273-Q275 PolarHBondContact O-N 3.26Å; D273-W276 CarbonylContact O-C 3.53Å; D273-W276 WeakPolarHBondContact O-CA 3.18Å; D273-W276 WeakPolarHBondContact O-CB 3.33Å; D273-W276 PolarHBondContact O-N 2.94Å; D273-V277 WeakPolarHBondContact O-CG2 3.46Å; D273-V277 PolarHBondContact O-N 3.24Å; D273-L320 HydrophobicContact CB-CD1 4.16Å
274	M	98.8	Very high	98.5	Very high	11 Å²	11	24.3 Å²	24.3	5%	0.054	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-34.7	175.8	-172.2	64.3	-161.7	0	0	112.6	I269 G270 K271 L272 V277 Q278 Y340 V345 I397 W399	I269-M274 HydrophobicContact CD1-CB 4.4Å; I269-M274 HydrophobicContact CD1-SD 4.26Å; G270-M274 PolarHBondContact O-N 3.44Å; K271-M274 PolarHBondContact O-N 3.41Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 3.46Å; M274-V277 PolarHBondContact O-N 2.95Å; M274-Q278 PolarHBondContact O-N 3.21Å; M274-Y340 HydrophobicContact CB-CD1 4.23Å; M274-Y340 HydrophobicContact CB-CD2 3.98Å; M274-Y340 HydrophobicContact CB-CE1 4.39Å; M274-Y340 HydrophobicContact CB-CE2 4.17Å; M274-Y340 HydrophobicContact CB-CG 4.02Å; M274-Y340 HydrophobicContact CG-CD1 3.7Å; M274-Y340 HydrophobicContact CG-CD2 4.35Å; M274-Y340 HydrophobicContact CG-CE1 3.95Å; M274-Y340 HydrophobicContact CG-CG 3.91Å; M274-Y340 HydrophobicContact SD-CD1 3.99Å; M274-Y340 HydrophobicContact SD-CG 4.02Å; M274-V345 HydrophobicContact CE-CB 4.15Å; M274-V345 HydrophobicContact CE-CG1 4.06Å; M274-V345 HydrophobicContact CE-CG2 4.45Å; M274-V345 HydrophobicContact SD-CB 4.15Å; M274-V345 HydrophobicContact SD-CG1 4.12Å; M274-V345 HydrophobicContact SD-CG2 3.82Å; M274-I397 HydrophobicContact CE-CB 4.23Å; M274-I397 HydrophobicContact CE-CD1 3.53Å; M274-I397 HydrophobicContact CE-CG1 3.47Å; M274-I397 VanDerWaalsContact CE-CG1 3.47Å; M274-I397 HydrophobicContact CE-CG2 3.75Å; M274-W399 HydrophobicContact CB-CH2 4.31Å; M274-W399 HydrophobicContact CG-CH2 4.11Å
275	Q	98.9	Very high	98.6	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-67.4	-39.4	172.8	-69	166.5	-13.3	0	0	111.5	K271 L272 D273 Q278 V279 W399 P504	K271-Q275 WeakPolarHBondContact O-CG 3.13Å; K271-Q275 PolarHBondContact O-N 2.88Å; K271-Q275 VanDerWaalsContact O-N 3.09Å; L272-Q275 WeakPolarHBondContact O-CB 3.37Å; L272-Q275 PolarHBondContact O-N 3.16Å; D273-Q275 VanDerWaalsContact C-N 3.25Å; D273-Q275 PolarHBondContact O-N 3.26Å; Q275-Q278 WeakPolarHBondContact O-CB 3.34Å; Q275-Q278 PolarHBondContact O-N 2.8Å; Q275-V279 WeakPolarHBondContact O-CG2 3.28Å; Q275-V279 PolarHBondContact O-N 2.79Å; Q275-W399 HydrophobicContact CB-CZ2 4.46Å; Q275-W399 HydrophobicContact CG-CH2 3.59Å; Q275-W399 HydrophobicContact CG-CZ2 3.47Å; Q275-W399 VanDerWaalsContact CG-CZ2 3.47Å; Q275-P504 HydrophobicContact CB-CG 3.83Å
276	W	98.9	Very high	98.5	Very high	8 Å²	8	20.9 Å²	20.9	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-36.1	172.6	-74.1	118.1	0	0	0	112.9	L272 D273 Q278 V279 L280 F291 V316 I318 Y375 P504 M506 W515	L272-W276 PolarHBondContact O-N 2.77Å; L272-W276 VanDerWaalsContact O-N 3.17Å; D273-W276 CarbonylContact O-C 3.53Å; D273-W276 WeakPolarHBondContact O-CA 3.18Å; D273-W276 WeakPolarHBondContact O-CB 3.33Å; D273-W276 PolarHBondContact O-N 2.94Å; W276-Q278 VanDerWaalsContact C-N 3.27Å; W276-Q278 PolarHBondContact O-N 3.39Å; W276-V279 HydrophobicContact CE3-CB 4Å; W276-V279 HydrophobicContact CE3-CG1 3.97Å; W276-V279 HydrophobicContact CE3-CG2 4.03Å; W276-V279 HydrophobicContact CZ3-CB 4.45Å; W276-V279 HydrophobicContact CZ3-CG1 4.04Å; W276-V279 HydrophobicContact CZ3-CG2 4.29Å; W276-V279 WeakPolarHBondContact O-CB 3.45Å; W276-V279 PolarHBondContact O-N 3.14Å; W276-L280 WeakPolarHBondContact O-CG 3.41Å; W276-L280 PolarHBondContact O-N 3.33Å; W276-F291 HydrophobicContact CB-CE1 4.09Å; W276-V316 HydrophobicContact CH2-CG2 4.5Å; W276-I318 HydrophobicContact CD2-CG2 4.43Å; W276-I318 HydrophobicContact CE3-CD1 4.44Å; W276-I318 HydrophobicContact CE3-CG1 4.12Å; W276-I318 HydrophobicContact CE3-CG2 3.91Å; W276-I318 HydrophobicContact CZ3-CD1 4.13Å; W276-I318 HydrophobicContact CZ3-CG1 3.88Å; W276-Y375 PolarHBondContact NE1-OH 3.01Å; W276-P504 HydrophobicContact CD2-CG 4.14Å; W276-P504 HydrophobicContact CG-CG 4.35Å; W276-P504 HydrophobicContact CZ2-CB 4.08Å; W276-P504 HydrophobicContact CZ2-CG 4.02Å; W276-M506 HydrophobicContact CH2-CE 3.9Å; W276-M506 HydrophobicContact CH2-SD 4.15Å; W276-M506 HydrophobicContact CZ2-CE 4.24Å; W276-M506 HydrophobicContact CZ2-SD 4.04Å; W276-W515 HydrophobicContact CZ3-CZ2 4.13Å
277	V	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-43.5	169.7	175.3	0	0	0	0	109.7	I269 D273 M274 L280 A281 F291 L338 A346 L391 V393 I397	I269-V277 HydrophobicContact CD1-CG2 4Å; D273-V277 WeakPolarHBondContact O-CG2 3.46Å; D273-V277 PolarHBondContact O-N 3.24Å; M274-V277 PolarHBondContact O-N 2.95Å; V277-L280 PolarHBondContact O-N 2.74Å; V277-A281 VanDerWaalsContact O-CB 3.24Å; V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 2.89Å; V277-F291 HydrophobicContact CG2-CE2 4.07Å; V277-F291 HydrophobicContact CG2-CZ 3.8Å; V277-L338 HydrophobicContact CG2-CD1 4.03Å; V277-A346 HydrophobicContact CG1-CB 4.43Å; V277-L391 HydrophobicContact CG1-CD2 4.42Å; V277-V393 HydrophobicContact CG1-CG1 4.12Å; V277-V393 HydrophobicContact CG1-CG2 3.74Å; V277-I397 HydrophobicContact CG1-CD1 3.99Å
278	Q	98.9	Very high	98.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-45.1	175	-172.7	176.6	10.2	0	0	113.1	M274 Q275 W276 L280 A281 E282 I397 P502	M274-Q278 PolarHBondContact O-N 3.21Å; Q275-Q278 WeakPolarHBondContact O-CB 3.34Å; Q275-Q278 PolarHBondContact O-N 2.8Å; W276-Q278 VanDerWaalsContact C-N 3.27Å; W276-Q278 PolarHBondContact O-N 3.39Å; Q278-L280 VanDerWaalsContact C-N 3.26Å; Q278-L280 PolarHBondContact O-N 3.17Å; Q278-A281 PolarHBondContact O-N 3.27Å; Q278-E282 HydrophobicContact CG-CG 4.23Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.43Å; Q278-E282 PolarHBondContact NE2-OE1 3.18Å; Q278-E282 WeakPolarHBondContact O-CG 3.24Å; Q278-E282 PolarHBondContact O-N 3.38Å; Q278-E282 VanDerWaalsContact O-N 3.08Å; Q278-I397 VanDerWaalsContact CA-CD1 3.5Å; Q278-I397 HydrophobicContact CB-CB 4.43Å; Q278-I397 HydrophobicContact CB-CD1 3.73Å; Q278-I397 HydrophobicContact CB-CG2 4.21Å; Q278-I397 HydrophobicContact CG-CB 4.21Å; Q278-I397 HydrophobicContact CG-CD1 4.24Å; Q278-I397 HydrophobicContact CG-CG2 4.21Å; Q278-P502 HydrophobicContact CB-CB 4.49Å; Q278-P502 HydrophobicContact CG-CB 3.96Å; Q278-P502 HydrophobicContact CG-CG 4.29Å
279	V	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.1	-44.8	176.3	168.7	0	0	0	0	111.2	Q275 W276 W284 A285 I318 P502 W515	Q275-V279 WeakPolarHBondContact O-CG2 3.28Å; Q275-V279 PolarHBondContact O-N 2.79Å; W276-V279 HydrophobicContact CE3-CB 4Å; W276-V279 HydrophobicContact CE3-CG1 3.97Å; W276-V279 HydrophobicContact CE3-CG2 4.03Å; W276-V279 HydrophobicContact CZ3-CB 4.45Å; W276-V279 HydrophobicContact CZ3-CG1 4.04Å; W276-V279 HydrophobicContact CZ3-CG2 4.29Å; W276-V279 WeakPolarHBondContact O-CB 3.45Å; W276-V279 PolarHBondContact O-N 3.14Å; V279-W284 HydrophobicContact CG1-CB 3.92Å; V279-W284 WeakPolarHBondContact O-CB 3.22Å; V279-W284 PolarHBondContact O-N 2.84Å; V279-W284 VanDerWaalsContact O-N 3.14Å; V279-A285 HydrophobicContact CG1-CB 4.46Å; V279-I318 HydrophobicContact CG1-CD1 4.47Å; V279-P502 HydrophobicContact CG2-CG 4.27Å; V279-W515 HydrophobicContact CG1-CH2 3.52Å; V279-W515 HydrophobicContact CG1-CZ2 3.54Å
280	L	98.9	Very high	98.6	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-69.6	-47.6	177.6	-74.5	170.2	0	0	0	111.8	L247 W276 V277 Q278 E282 G283 A285 L288 G290 F291 I318 L391	L247-L280 HydrophobicContact CD1-CB 4.12Å; W276-L280 WeakPolarHBondContact O-CG 3.41Å; W276-L280 PolarHBondContact O-N 3.33Å; V277-L280 PolarHBondContact O-N 2.74Å; Q278-L280 VanDerWaalsContact C-N 3.26Å; Q278-L280 PolarHBondContact O-N 3.17Å; L280-E282 VanDerWaalsContact C-N 3.31Å; L280-E282 PolarHBondContact O-N 3.44Å; L280-G283 PolarHBondContact O-N 3.45Å; L280-A285 HydrophobicContact CD2-CB 4.02Å; L280-L288 HydrophobicContact CD2-CB 4.15Å; L280-L288 HydrophobicContact CD2-CD1 4.06Å; L280-G290 WeakPolarHBondContact CD2-O 3.46Å; L280-F291 HydrophobicContact CD1-CD1 3.73Å; L280-F291 HydrophobicContact CD1-CD2 4.23Å; L280-F291 HydrophobicContact CD1-CE1 3.76Å; L280-F291 HydrophobicContact CD1-CE2 4.24Å; L280-F291 HydrophobicContact CD1-CG 3.99Å; L280-F291 HydrophobicContact CD1-CZ 4.02Å; L280-I318 HydrophobicContact CD1-CG2 3.87Å; L280-I318 HydrophobicContact CD2-CG2 3.95Å; L280-I318 HydrophobicContact CG-CG2 3.86Å; L280-L391 HydrophobicContact CB-CD2 3.93Å; L280-L391 HydrophobicContact CD1-CD2 3.79Å
281	A	98.8	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.8	-45	-177	0	0	0	0	0	112.6	E246 L247 Y248 V277 Q278 G283 V393 I397	E246-A281 CarbonylContact C-O 3.59Å; E246-A281 VanDerWaalsContact CA-O 3.27Å; E246-A281 WeakPolarHBondContact CA-O 3.35Å; E246-A281 WeakPolarHBondContact CB-O 3.45Å; L247-A281 PolarHBondContact N-O 3.17Å; Y248-A281 HydrophobicContact CD1-CB 4.15Å; Y248-A281 HydrophobicContact CD2-CB 4.22Å; Y248-A281 WeakPolarHBondContact CD2-O 3.34Å; Y248-A281 HydrophobicContact CE1-CB 3.63Å; Y248-A281 HydrophobicContact CE2-CB 3.73Å; Y248-A281 HydrophobicContact CG-CB 4.41Å; Y248-A281 VanDerWaalsContact CZ-CB 3.41Å; V277-A281 VanDerWaalsContact O-CB 3.24Å; V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 2.89Å; Q278-A281 PolarHBondContact O-N 3.27Å; A281-G283 VanDerWaalsContact C-N 3.26Å; A281-G283 PolarHBondContact O-N 3.32Å; A281-V393 HydrophobicContact CB-CB 3.91Å; A281-V393 HydrophobicContact CB-CG1 3.97Å; A281-V393 HydrophobicContact CB-CG2 3.71Å; A281-I397 HydrophobicContact CB-CD1 4.32Å
282	E	98.8	Very high	98.6	Very high	2 Å²	2	10 Å²	10	1%	0.009	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.9	-177.2	-59.8	177.1	178.7	0	0	112.8	Y248 Q278 L280 W284 T409 P410	Y248-E282 HydrophobicContact CE2-CG 3.99Å; Q278-E282 HydrophobicContact CG-CG 4.23Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.43Å; Q278-E282 PolarHBondContact NE2-OE1 3.18Å; Q278-E282 WeakPolarHBondContact O-CG 3.24Å; Q278-E282 PolarHBondContact O-N 3.38Å; Q278-E282 VanDerWaalsContact O-N 3.08Å; L280-E282 VanDerWaalsContact C-N 3.31Å; L280-E282 PolarHBondContact O-N 3.44Å; E282-W284 PolarHBondContact OE2-NE1 3Å; E282-T409 HydrophobicContact CB-CG2 4.12Å; E282-T409 HydrophobicContact CG-CG2 3.77Å; E282-P410 WeakPolarHBondContact O-CD 3.47Å; E282-P410 WeakPolarHBondContact O-CG 3.41Å
283	G	98.5	Very high	98.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.01	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	15.3	174.5	0	0	0	0	0	115.5	K245 L280 A281 A285 T286	K245-G283 WeakPolarHBondContact O-CA 3.37Å; L280-G283 PolarHBondContact O-N 3.45Å; A281-G283 VanDerWaalsContact C-N 3.26Å; A281-G283 PolarHBondContact O-N 3.32Å; G283-A285 PolarHBondContact O-N 3.12Å; G283-A285 VanDerWaalsContact O-N 3.17Å; G283-T286 VanDerWaalsContact O-CB 3.3Å; G283-T286 WeakPolarHBondContact O-CB 3.23Å; G283-T286 PolarHBondContact O-N 2.8Å; G283-T286 PolarHBondContact O-OG1 2.99Å
284	W	98.8	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29	175.5	-65	98.7	0	0	0	113	V279 E282 P410 L413 H462 F501 W515 R518 A519 A523	V279-W284 HydrophobicContact CG1-CB 3.92Å; V279-W284 WeakPolarHBondContact O-CB 3.22Å; V279-W284 PolarHBondContact O-N 2.84Å; V279-W284 VanDerWaalsContact O-N 3.14Å; E282-W284 PolarHBondContact OE2-NE1 3Å; W284-P410 HydrophobicContact CD2-CG 3.62Å; W284-P410 HydrophobicContact CE3-CG 3.79Å; W284-P410 HydrophobicContact CG-CG 4.13Å; W284-P410 HydrophobicContact CH2-CG 4.09Å; W284-P410 HydrophobicContact CZ2-CG 3.93Å; W284-P410 HydrophobicContact CZ3-CG 4.05Å; W284-L413 HydrophobicContact CH2-CD1 3.68Å; W284-L413 HydrophobicContact CZ2-CD1 4.46Å; W284-H462 AromaticContact CH2-CE1 3.57Å; W284-H462 AromaticContact CH2-NE2 3.87Å; W284-F501 HydrophobicContact CB-CE2 4.49Å; W284-F501 HydrophobicContact CD2-CD2 4.02Å; W284-F501 AromaticContact CD2-CE2 3.78Å; W284-F501 HydrophobicContact CD2-CE2 3.78Å; W284-F501 AromaticContact CE3-CD2 3.94Å; W284-F501 HydrophobicContact CE3-CD2 3.94Å; W284-F501 AromaticContact CE3-CE2 3.71Å; W284-F501 HydrophobicContact CE3-CE2 3.71Å; W284-F501 HydrophobicContact CG-CE2 4.14Å; W284-F501 HydrophobicContact CH2-CD2 4.2Å; W284-F501 HydrophobicContact CZ2-CD2 4.28Å; W284-F501 HydrophobicContact CZ3-CD2 4.02Å; W284-F501 HydrophobicContact CZ3-CE2 4.22Å; W284-W515 HydrophobicContact CB-CH2 3.96Å; W284-R518 PolarHBondContact O-NH1 3.36Å; W284-A519 HydrophobicContact CE3-CB 3.97Å; W284-A519 WeakPolarHBondContact CZ3-O 3.4Å; W284-A523 HydrophobicContact CH2-CB 4.15Å; W284-A523 HydrophobicContact CZ3-CB 3.71Å
285	A	98.6	Very high	98.6	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.017	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.7	179.1	0	0	0	0	0	114	V279 L280 G283 L288 I318 W515	V279-A285 HydrophobicContact CG1-CB 4.46Å; L280-A285 HydrophobicContact CD2-CB 4.02Å; G283-A285 PolarHBondContact O-N 3.12Å; G283-A285 VanDerWaalsContact O-N 3.17Å; A285-L288 HydrophobicContact CB-CD1 4.01Å; A285-L288 WeakPolarHBondContact O-CB 3.47Å; A285-L288 PolarHBondContact O-N 3.12Å; A285-L288 VanDerWaalsContact O-N 3.09Å; A285-I318 HydrophobicContact CB-CD1 3.41Å; A285-I318 VanDerWaalsContact CB-CD1 3.41Å; A285-W515 HydrophobicContact CB-CH2 4.17Å; A285-W515 HydrophobicContact CB-CZ3 4.22Å
286	T	97.8	Very high	98.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	130.9	172.8	-72.1	0	0	0	0	111.2	S241 E243 K245 G283 R518	S241-T286 WeakPolarHBondContact O-CG2 3.35Å; E243-T286 WeakPolarHBondContact O-CG2 3.08Å; K245-T286 HydrophobicContact CB-CG2 4.38Å; K245-T286 PolarHBondContact N-OG1 2.94Å; G283-T286 VanDerWaalsContact O-CB 3.3Å; G283-T286 WeakPolarHBondContact O-CB 3.23Å; G283-T286 PolarHBondContact O-N 2.8Å; G283-T286 PolarHBondContact O-OG1 2.99Å; T286-R518 VanDerWaalsContact O-CZ 3.28Å; T286-R518 PolarHBondContact O-NH1 2.84Å; T286-R518 PolarHBondContact O-NH2 2.98Å
287	P	97.4	Very high	98.6	Very high	34 Å²	34	21.5 Å²	21.5	22%	0.221	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.6	20.7	12.4	39.5	-36.5	0	0	0	115	N289 I312	P287-N289 PolarHBondContact O-N 2.88Å; P287-I312 HydrophobicContact CG-CG1 4.43Å
288	L	98.1	Very high	98.6	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.116	C	C	.	.			trans	-51.6	137.1	-179.6	-74.7	-176.9	0	0	0	111.9	L280 A285 G290 M292 E296 L306 L314 I318	L280-L288 HydrophobicContact CD2-CB 4.15Å; L280-L288 HydrophobicContact CD2-CD1 4.06Å; A285-L288 HydrophobicContact CB-CD1 4.01Å; A285-L288 WeakPolarHBondContact O-CB 3.47Å; A285-L288 PolarHBondContact O-N 3.12Å; A285-L288 VanDerWaalsContact O-N 3.09Å; L288-G290 VanDerWaalsContact C-N 3.32Å; L288-M292 HydrophobicContact CD1-CE 4.17Å; L288-M292 HydrophobicContact CD1-CG 4.04Å; L288-M292 HydrophobicContact CD2-CG 4.12Å; L288-E296 HydrophobicContact CD2-CG 4.49Å; L288-E296 WeakPolarHBondContact CD2-OE1 2.96Å; L288-L306 HydrophobicContact CD2-CD1 3.69Å; L288-L306 HydrophobicContact CG-CD1 4.31Å; L288-L314 HydrophobicContact CD1-CD1 3.74Å; L288-L314 HydrophobicContact CD2-CD1 4.3Å; L288-L314 HydrophobicContact CG-CD1 3.75Å; L288-I318 HydrophobicContact CD1-CB 4.27Å; L288-I318 HydrophobicContact CD1-CD1 4.18Å
289	N	98.2	Very high	98.6	Very high	65 Å²	65	25.5 Å²	25.5	35%	0.348	12%	0.118	S	C	.	.			trans	-85.4	-7.5	175.8	-65	-49.1	0	0	0	113	K245 P287 L391	K245-N289 WeakPolarHBondContact CE-OD1 3.35Å; K245-N289 PolarHBondContact NZ-OD1 3.4Å; P287-N289 PolarHBondContact O-N 2.88Å; N289-L391 PolarHBondContact O-N 3.41Å
290	G	98.8	Very high	98.6	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	166.3	-150.8	-177.8	0	0	0	0	0	110.9	L280 L288 G389 L391	L280-G290 WeakPolarHBondContact CD2-O 3.46Å; L288-G290 VanDerWaalsContact C-N 3.32Å; G290-G389 WeakPolarHBondContact CA-O 3.38Å; G290-L391 VanDerWaalsContact CA-CB 3.44Å
291	F	98.9	Very high	98.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.122	C	C	.	.	S	Bend	trans	-65.6	138.9	172.2	-70	-73.3	0	0	0	109.9	W276 V277 L280 R293 I318 V319 L320 L338 L348 G388 G389 L391	W276-F291 HydrophobicContact CB-CE1 4.09Å; V277-F291 HydrophobicContact CG2-CE2 4.07Å; V277-F291 HydrophobicContact CG2-CZ 3.8Å; L280-F291 HydrophobicContact CD1-CD1 3.73Å; L280-F291 HydrophobicContact CD1-CD2 4.23Å; L280-F291 HydrophobicContact CD1-CE1 3.76Å; L280-F291 HydrophobicContact CD1-CE2 4.24Å; L280-F291 HydrophobicContact CD1-CG 3.99Å; L280-F291 HydrophobicContact CD1-CZ 4.02Å; F291-R293 PolarHBondContact O-N 3.33Å; F291-I318 HydrophobicContact CD1-CG2 4.34Å; F291-V319 VanDerWaalsContact CD1-C 3.45Å; F291-L320 HydrophobicContact CB-CB 4.39Å; F291-L320 HydrophobicContact CD1-CB 3.92Å; F291-L320 HydrophobicContact CD2-CB 3.86Å; F291-L320 HydrophobicContact CD2-CD2 4.24Å; F291-L320 HydrophobicContact CE1-CB 4.09Å; F291-L320 HydrophobicContact CE2-CB 4.05Å; F291-L320 HydrophobicContact CE2-CD2 4.11Å; F291-L320 HydrophobicContact CE2-CG 4.5Å; F291-L320 HydrophobicContact CG-CB 3.79Å; F291-L320 HydrophobicContact CZ-CB 4.15Å; F291-L320 HydrophobicContact CZ-CD1 4.45Å; F291-L338 HydrophobicContact CE2-CD1 3.86Å; F291-L348 HydrophobicContact CD2-CD1 4.32Å; F291-G388 VanDerWaalsContact O-CA 3.3Å; F291-G388 WeakPolarHBondContact O-CA 3.47Å; F291-G389 PolarHBondContact O-N 3.38Å; F291-L391 HydrophobicContact CD2-CD1 4.43Å; F291-L391 HydrophobicContact CE2-CD1 4.27Å; F291-L391 HydrophobicContact CE2-CD2 4.25Å
292	M	98.9	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-54.7	134.4	-174.2	-72.1	175.1	170.2	0	0	111.8	L288 E296 F297 C300 L314 I318 V319 Y354 G388	L288-M292 HydrophobicContact CD1-CE 4.17Å; L288-M292 HydrophobicContact CD1-CG 4.04Å; L288-M292 HydrophobicContact CD2-CG 4.12Å; M292-E296 WeakPolarHBondContact CA-OE2 3.4Å; M292-E296 HydrophobicContact CB-CB 3.96Å; M292-E296 HydrophobicContact CG-CB 3.95Å; M292-F297 HydrophobicContact CB-CB 4.33Å; M292-C300 HydrophobicContact CE-CB 3.8Å; M292-C300 HydrophobicContact SD-CB 4.09Å; M292-L314 HydrophobicContact CE-CD1 4.05Å; M292-L314 HydrophobicContact CE-CD2 3.3Å; M292-L314 HydrophobicContact CE-CG 4.22Å; M292-I318 PolarHBondContact N-O 2.89Å; M292-V319 HydrophobicContact CB-CG1 4.1Å; M292-V319 HydrophobicContact SD-CG1 4.47Å; M292-Y354 PolarHBondContact O-OH 3.37Å; M292-G388 WeakPolarHBondContact O-CA 3.47Å
293	R	98.9	Very high	98.5	Very high	59 Å²	59	36 Å²	36	22%	0.223	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.1	168.6	162.1	-65	-178.2	-179.9	-75.5	-3.4	110.3	F291 R295 E296 F297 N350 E352 D390	F291-R293 PolarHBondContact O-N 3.33Å; R293-R295 PolarHBondContact O-N 2.59Å; R293-E296 PolarHBondContact N-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3.49Å; R293-E296 VanDerWaalsContact O-N 3.12Å; R293-F297 WeakPolarHBondContact O-CB 3.42Å; R293-F297 PolarHBondContact O-N 2.89Å; R293-N350 PolarHBondContact NH1-O 2.94Å; R293-N350 PolarHBondContact NH2-O 3.4Å; R293-E352 WeakPolarHBondContact CB-OE2 3.46Å; R293-E352 IonicContact NH1-OE2 3.11Å; R293-E352 PolarHBondContact NH1-OE2 3.34Å; R293-D390 IonicContact NH2-OD1 2.78Å; R293-D390 IonicContact NH2-OD2 3.06Å
294	E	98.8	Very high	98.5	Very high	83 Å²	83	38.1 Å²	38.1	39%	0.388	18%	0.177	S	C	.	.	H	α-helix	trans	-56.1	-41.8	-176.8	-173.3	174.5	-135.3	0	0	111.6	E296 F297 L298 Y354	E294-E296 PolarHBondContact O-N 3.39Å; E294-F297 PolarHBondContact O-N 3.41Å; E294-L298 HydrophobicContact CG-CD1 4Å; E294-L298 HydrophobicContact CG-CG 4.3Å; E294-L298 WeakPolarHBondContact O-CB 3.28Å; E294-L298 VanDerWaalsContact O-CG 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.49Å; E294-L298 PolarHBondContact O-N 3.36Å; E294-Y354 HydrophobicContact CB-CD1 3.96Å; E294-Y354 HydrophobicContact CB-CD2 3.89Å; E294-Y354 HydrophobicContact CB-CE1 4.43Å; E294-Y354 HydrophobicContact CB-CE2 4.34Å; E294-Y354 HydrophobicContact CB-CG 3.68Å; E294-Y354 HydrophobicContact CG-CD2 3.85Å; E294-Y354 HydrophobicContact CG-CE2 4.47Å; E294-Y354 HydrophobicContact CG-CG 4Å
295	R	98.5	Very high	98.5	Very high	149 Å²	149	38.2 Å²	38.2	56%	0.562	18%	0.178	S	C	*	.	H	α-helix	trans	-58.5	-48.8	178	-177.8	175.7	176.7	84.6	2.3	112.7	R293 L298 Q299 D308	R293-R295 PolarHBondContact O-N 2.59Å; R295-L298 PolarHBondContact O-N 2.94Å; R295-Q299 VanDerWaalsContact O-CG 3.26Å; R295-Q299 WeakPolarHBondContact O-CG 3.34Å; R295-Q299 PolarHBondContact O-N 3.44Å; R295-D308 WeakPolarHBondContact CD-OD2 3.25Å; R295-D308 IonicContact CZ-OD1 3.66Å; R295-D308 IonicContact CZ-OD2 3.78Å; R295-D308 IonicContact NE-OD1 3.08Å; R295-D308 PolarHBondContact NE-OD1 3.26Å; R295-D308 VanDerWaalsContact NE-OD1 3.16Å; R295-D308 IonicContact NE-OD2 3.32Å; R295-D308 PolarHBondContact NE-OD2 3.49Å; R295-D308 IonicContact NH2-OD1 2.71Å; R295-D308 PolarHBondContact NH2-OD1 3.07Å; R295-D308 IonicContact NH2-OD2 2.72Å
296	E	98.7	Very high	98.4	Very high	37 Å²	37	38.7 Å²	38.7	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-39.7	-179.9	-64	166.2	134.7	0	0	110.8	L288 M292 R293 E294 Q299 C300 L306	L288-E296 HydrophobicContact CD2-CG 4.49Å; L288-E296 WeakPolarHBondContact CD2-OE1 2.96Å; M292-E296 WeakPolarHBondContact CA-OE2 3.4Å; M292-E296 HydrophobicContact CB-CB 3.96Å; M292-E296 HydrophobicContact CG-CB 3.95Å; R293-E296 PolarHBondContact N-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3.49Å; R293-E296 VanDerWaalsContact O-N 3.12Å; E294-E296 PolarHBondContact O-N 3.39Å; E296-Q299 PolarHBondContact O-N 3.16Å; E296-C300 VanDerWaalsContact O-CB 3.22Å; E296-C300 WeakPolarHBondContact O-CB 3.3Å; E296-C300 PolarHBondContact O-N 2.9Å; E296-L306 HydrophobicContact CB-CD2 3.79Å; E296-L306 HydrophobicContact CG-CD2 4.16Å
297	F	98.9	Very high	98.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-46.5	175.7	172.2	-108.4	0	0	0	112.4	M292 R293 E294 C300 L301 P317 V319 Y354 R361 L386	M292-F297 HydrophobicContact CB-CB 4.33Å; R293-F297 WeakPolarHBondContact O-CB 3.42Å; R293-F297 PolarHBondContact O-N 2.89Å; E294-F297 PolarHBondContact O-N 3.41Å; F297-C300 PolarHBondContact O-N 3.26Å; F297-L301 HydrophobicContact CD1-CD1 4.26Å; F297-L301 HydrophobicContact CD2-CD1 4.31Å; F297-L301 HydrophobicContact CD2-CG 4.38Å; F297-L301 HydrophobicContact CE1-CD1 3.61Å; F297-L301 HydrophobicContact CE2-CD1 3.66Å; F297-L301 HydrophobicContact CE2-CG 4.03Å; F297-L301 HydrophobicContact CZ-CD1 3.28Å; F297-L301 HydrophobicContact CZ-CG 4.17Å; F297-L301 WeakPolarHBondContact O-CG 3.25Å; F297-L301 PolarHBondContact O-N 2.82Å; F297-P317 HydrophobicContact CD2-CB 3.87Å; F297-P317 HydrophobicContact CD2-CG 4.19Å; F297-P317 HydrophobicContact CE2-CB 3.85Å; F297-P317 HydrophobicContact CE2-CG 3.97Å; F297-V319 HydrophobicContact CD2-CG1 3.8Å; F297-V319 HydrophobicContact CE2-CG1 4.35Å; F297-Y354 HydrophobicContact CB-CE2 3.96Å; F297-Y354 HydrophobicContact CD1-CD2 4.35Å; F297-Y354 AromaticContact CD1-CE2 3.59Å; F297-Y354 HydrophobicContact CD1-CE2 3.59Å; F297-Y354 HydrophobicContact CE1-CE2 4.17Å; F297-Y354 AromaticContact CG-CE2 3.8Å; F297-Y354 HydrophobicContact CG-CE2 3.8Å; F297-R361 HydrophobicContact CE2-CG 4.29Å; F297-R361 HydrophobicContact CZ-CB 4.34Å; F297-R361 HydrophobicContact CZ-CG 4.3Å; F297-L386 HydrophobicContact CD2-CD1 4.22Å; F297-L386 HydrophobicContact CE1-CD1 4.36Å; F297-L386 HydrophobicContact CE2-CD1 3.92Å; F297-L386 HydrophobicContact CZ-CD1 3.97Å
298	L	98.7	Very high	97.5	Very high	72 Å²	72	44.1 Å²	44.1	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-43.5	176.8	-69.8	173.9	0	0	0	111.4	E294 R295 C300 L301 H302	E294-L298 HydrophobicContact CG-CD1 4Å; E294-L298 HydrophobicContact CG-CG 4.3Å; E294-L298 WeakPolarHBondContact O-CB 3.28Å; E294-L298 VanDerWaalsContact O-CG 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.49Å; E294-L298 PolarHBondContact O-N 3.36Å; R295-L298 PolarHBondContact O-N 2.94Å; L298-C300 VanDerWaalsContact C-N 3.34Å; L298-C300 PolarHBondContact O-N 3.5Å; L298-L301 PolarHBondContact O-N 3.09Å; L298-H302 WeakPolarHBondContact O-CB 3.39Å; L298-H302 PolarHBondContact O-CD2 3.15Å; L298-H302 PolarHBondContact O-N 3.06Å
299	Q	98.6	Very high	96.5	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-45.7	176.9	-72.1	177	9.4	0	0	111.4	R295 E296 H302 F303 C305 L307 D308	R295-Q299 VanDerWaalsContact O-CG 3.26Å; R295-Q299 WeakPolarHBondContact O-CG 3.34Å; R295-Q299 PolarHBondContact O-N 3.44Å; E296-Q299 PolarHBondContact O-N 3.16Å; Q299-H302 PolarHBondContact O-N 2.92Å; Q299-F303 HydrophobicContact CB-CD2 4.33Å; Q299-F303 HydrophobicContact CG-CD2 4.49Å; Q299-F303 WeakPolarHBondContact O-CA 3.37Å; Q299-F303 WeakPolarHBondContact O-CB 3.46Å; Q299-F303 PolarHBondContact O-N 3.05Å; Q299-C305 CarbonylContact C-O 3.55Å; Q299-C305 VanDerWaalsContact CB-O 3.27Å; Q299-C305 WeakPolarHBondContact CB-O 2.88Å; Q299-L307 HydrophobicContact CG-CD1 4.5Å; Q299-D308 PolarHBondContact NE2-OD1 3.42Å
300	C	98.6	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-52.2	175.4	175.5	0	0	0	0	111.9	M292 E296 F297 L298 H302 D304 L314 S315 V316	M292-C300 HydrophobicContact CE-CB 3.8Å; M292-C300 HydrophobicContact SD-CB 4.09Å; E296-C300 VanDerWaalsContact O-CB 3.22Å; E296-C300 WeakPolarHBondContact O-CB 3.3Å; E296-C300 PolarHBondContact O-N 2.9Å; F297-C300 PolarHBondContact O-N 3.26Å; L298-C300 VanDerWaalsContact C-N 3.34Å; L298-C300 PolarHBondContact O-N 3.5Å; C300-H302 VanDerWaalsContact C-N 3.33Å; C300-H302 PolarHBondContact O-N 3.39Å; C300-D304 WeakPolarHBondContact O-CA 3.43Å; C300-D304 PolarHBondContact O-N 3.3Å; C300-D304 VanDerWaalsContact O-N 3.08Å; C300-L314 PolarHBondContact SG-O 2.98Å; C300-S315 VanDerWaalsContact SG-C 3.54Å; C300-V316 PolarHBondContact SG-N 3.46Å; C300-V316 VanDerWaalsContact SG-N 3.45Å; C300-V316 PolarHBondContact SG-O 3.17Å
301	L	98.3	Very high	95.5	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-30	-177.2	-78.7	-173.8	0	0	0	114.6	F297 L298 P317 R361 R364 Q365	F297-L301 HydrophobicContact CD1-CD1 4.26Å; F297-L301 HydrophobicContact CD2-CD1 4.31Å; F297-L301 HydrophobicContact CD2-CG 4.38Å; F297-L301 HydrophobicContact CE1-CD1 3.61Å; F297-L301 HydrophobicContact CE2-CD1 3.66Å; F297-L301 HydrophobicContact CE2-CG 4.03Å; F297-L301 HydrophobicContact CZ-CD1 3.28Å; F297-L301 HydrophobicContact CZ-CG 4.17Å; F297-L301 WeakPolarHBondContact O-CG 3.25Å; F297-L301 PolarHBondContact O-N 2.82Å; L298-L301 PolarHBondContact O-N 3.09Å; L301-P317 HydrophobicContact CD2-CG 3.55Å; L301-P317 HydrophobicContact CG-CG 4.1Å; L301-R361 HydrophobicContact CD1-CB 4.45Å; L301-R361 HydrophobicContact CD2-CG 4.36Å; L301-R364 HydrophobicContact CD2-CB 4.23Å; L301-Q365 HydrophobicContact CD2-CB 4.38Å
302	H	98.4	Very high	95.4	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.398	25%	0.25	S	C	.	.	H	α-helix	trans	-100.3	-26.3	-173.4	-74.9	-80.7	0	0	0	113.9	L298 Q299 C300 R364	L298-H302 WeakPolarHBondContact O-CB 3.39Å; L298-H302 PolarHBondContact O-CD2 3.15Å; L298-H302 PolarHBondContact O-N 3.06Å; Q299-H302 PolarHBondContact O-N 2.92Å; C300-H302 VanDerWaalsContact C-N 3.33Å; C300-H302 PolarHBondContact O-N 3.39Å; H302-R364 PolarHBondContact CE1-NE 3.13Å
303	F	98.2	Very high	95.3	Very high	121 Å²	121	48.4 Å²	48.4	53%	0.531	25%	0.25	S	C	.	.	H	α-helix	trans	-129.1	-1.2	-170.3	-49.4	-59.3	0	0	0	113.9	Q299 C305 L307	Q299-F303 HydrophobicContact CB-CD2 4.33Å; Q299-F303 HydrophobicContact CG-CD2 4.49Å; Q299-F303 WeakPolarHBondContact O-CA 3.37Å; Q299-F303 WeakPolarHBondContact O-CB 3.46Å; Q299-F303 PolarHBondContact O-N 3.05Å; F303-C305 PolarHBondContact O-N 3.38Å; F303-L307 HydrophobicContact CD2-CD1 3.78Å; F303-L307 HydrophobicContact CE2-CD1 4.18Å; F303-L307 HydrophobicContact CG-CD1 4.32Å
304	D	98.6	Very high	95.3	Very high	46 Å²	46	45.6 Å²	45.6	25%	0.246	24%	0.239	C	C	.	.	S	Bend	trans	54.8	16.9	-172.2	-66.6	-15.6	0	0	0	113.8	C300 L314 Q514	C300-D304 WeakPolarHBondContact O-CA 3.43Å; C300-D304 PolarHBondContact O-N 3.3Å; C300-D304 VanDerWaalsContact O-N 3.08Å; D304-L314 CarbonylContact C-O 3.53Å; D304-L314 CarbonylContact O-C 3.53Å; D304-L314 VanDerWaalsContact O-C 3.26Å; D304-L314 PolarHBondContact O-N 3.4Å; D304-Q514 PolarHBondContact OD2-NE2 3.46Å
305	C	98.3	Very high	95.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153	-172.2	-72.6	0	0	0	0	111.9	Q299 F303 L307 V311 I312 P560	Q299-C305 CarbonylContact C-O 3.55Å; Q299-C305 VanDerWaalsContact CB-O 3.27Å; Q299-C305 WeakPolarHBondContact CB-O 2.88Å; F303-C305 PolarHBondContact O-N 3.38Å; C305-L307 HydrophobicContact CB-CD2 4Å; C305-V311 HydrophobicContact CB-CG1 4.26Å; C305-I312 CarbonylContact C-O 3.48Å; C305-I312 WeakPolarHBondContact CA-O 3.26Å; C305-I312 WeakPolarHBondContact CB-O 3.33Å; C305-P560 VanDerWaalsContact SG-CG 3.56Å
306	L	96.4	Very high	95.4	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	154.5	-53	179.7	0	0	0	108.6	L288 E296 G310 I312 L314	L288-L306 HydrophobicContact CD2-CD1 3.69Å; L288-L306 HydrophobicContact CG-CD1 4.31Å; E296-L306 HydrophobicContact CB-CD2 3.79Å; E296-L306 HydrophobicContact CG-CD2 4.16Å; L306-G310 VanDerWaalsContact O-O 3.04Å; L306-I312 HydrophobicContact CB-CB 4.3Å; L306-I312 PolarHBondContact N-O 2.94Å; L306-I312 PolarHBondContact O-N 3Å; L306-L314 HydrophobicContact CD1-CD1 3.81Å; L306-L314 HydrophobicContact CG-CB 4.18Å; L306-L314 HydrophobicContact CG-CD1 4.21Å
307	L	92.5	Very high	95.4	Very high	74 Å²	74	33 Å²	33	39%	0.387	19%	0.187	S	C	.	.			trans	-118	-14	-171.6	-57.7	177.9	0	0	0	113.3	Q299 F303 C305 G309 G310 V311	Q299-L307 HydrophobicContact CG-CD1 4.5Å; F303-L307 HydrophobicContact CD2-CD1 3.78Å; F303-L307 HydrophobicContact CE2-CD1 4.18Å; F303-L307 HydrophobicContact CG-CD1 4.32Å; C305-L307 HydrophobicContact CB-CD2 4Å; L307-G309 PolarHBondContact O-N 2.9Å; L307-G310 CarbonylContact C-O 3.56Å; L307-G310 VanDerWaalsContact C-O 3.3Å; L307-G310 WeakPolarHBondContact CA-O 3.5Å; L307-G310 PolarHBondContact O-N 2.81Å; L307-V311 HydrophobicContact CD2-CG2 4.3Å
308	D	84.6	Confident	95.4	Very high	76 Å²	76	32.6 Å²	32.6	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	121.7	-177.9	-62.6	-23.8	0	0	0	110.2	R295 Q299 G310	R295-D308 WeakPolarHBondContact CD-OD2 3.25Å; R295-D308 IonicContact CZ-OD1 3.66Å; R295-D308 IonicContact CZ-OD2 3.78Å; R295-D308 IonicContact NE-OD1 3.08Å; R295-D308 PolarHBondContact NE-OD1 3.26Å; R295-D308 VanDerWaalsContact NE-OD1 3.16Å; R295-D308 IonicContact NE-OD2 3.32Å; R295-D308 PolarHBondContact NE-OD2 3.49Å; R295-D308 IonicContact NH2-OD1 2.71Å; R295-D308 PolarHBondContact NH2-OD1 3.07Å; R295-D308 IonicContact NH2-OD2 2.72Å; Q299-D308 PolarHBondContact NE2-OD1 3.42Å; D308-G310 PolarHBondContact O-N 2.71Å
309	G	76.6	Confident	95.4	Very high	46 Å²	46	29.5 Å²	29.5	47%	0.474	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-3.2	-176.8	0	0	0	0	0	114.7	D239 A240 L307	D239-G309 CarbonylContact C-O 3.55Å; D239-G309 VanDerWaalsContact CA-O 3.31Å; D239-G309 WeakPolarHBondContact CA-O 3.48Å; A240-G309 PolarHBondContact N-O 3.32Å; L307-G309 PolarHBondContact O-N 2.9Å
310	G	84.6	Confident	95.4	Very high	30 Å²	30	29 Å²	29	31%	0.309	17%	0.168	S	C	.	.	S	Bend	trans	149.9	166.9	-179	0	0	0	0	0	111.9	L306 L307 D308 I312	L306-G310 VanDerWaalsContact O-O 3.04Å; L307-G310 CarbonylContact C-O 3.56Å; L307-G310 VanDerWaalsContact C-O 3.3Å; L307-G310 WeakPolarHBondContact CA-O 3.5Å; L307-G310 PolarHBondContact O-N 2.81Å; D308-G310 PolarHBondContact O-N 2.71Å; G310-I312 PolarHBondContact O-N 2.95Å
311	V	91.5	Very high	95.4	Very high	80 Å²	80	30.5 Å²	30.5	49%	0.485	18%	0.177	S	C	.	.			trans	-84.9	108.5	178.3	-178.1	0	0	0	0	109.7	C305 L307 P560	C305-V311 HydrophobicContact CB-CG1 4.26Å; L307-V311 HydrophobicContact CD2-CG2 4.3Å; V311-P560 HydrophobicContact CG1-CB 3.89Å
312	I	96.2	Very high	95.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	177.2	-62.9	-63.5	0	0	0	109.5	A240 Y242 P287 C305 L306 G310 L314	A240-I312 HydrophobicContact CB-CD1 3.98Å; A240-I312 HydrophobicContact CB-CG1 3.6Å; Y242-I312 HydrophobicContact CD2-CD1 3.93Å; Y242-I312 HydrophobicContact CE1-CD1 4.24Å; Y242-I312 HydrophobicContact CE1-CG2 3.89Å; Y242-I312 HydrophobicContact CE2-CD1 3.5Å; Y242-I312 HydrophobicContact CG-CD1 4.45Å; Y242-I312 WeakPolarHBondContact OH-CA 3.18Å; P287-I312 HydrophobicContact CG-CG1 4.43Å; C305-I312 CarbonylContact C-O 3.48Å; C305-I312 WeakPolarHBondContact CA-O 3.26Å; C305-I312 WeakPolarHBondContact CB-O 3.33Å; L306-I312 HydrophobicContact CB-CB 4.3Å; L306-I312 PolarHBondContact N-O 2.94Å; L306-I312 PolarHBondContact O-N 3Å; G310-I312 PolarHBondContact O-N 2.95Å; I312-L314 PolarHBondContact O-N 2.95Å
313	N	98.6	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	121.6	170.6	-167.1	-90.7	0	0	0	111	Y242 Q514 R518 P560 L562	Y242-N313 PolarHBondContact OH-N 2.92Å; N313-Q514 PolarHBondContact ND2-OE1 3.11Å; N313-R518 HydrophobicContact CB-CB 4.38Å; N313-R518 PolarHBondContact O-NE 3.24Å; N313-R518 PolarHBondContact O-NH2 3.04Å; N313-R518 VanDerWaalsContact O-NH2 3.09Å; N313-P560 VanDerWaalsContact CB-O 3.29Å; N313-P560 WeakPolarHBondContact CB-O 3.42Å; N313-P560 PolarHBondContact ND2-O 3.15Å; N313-L562 HydrophobicContact CB-CD2 3.88Å; N313-L562 HydrophobicContact CB-CG 4.35Å
314	L	98.6	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.161	C	C	.	.			trans	-160.5	88.1	173.8	-148.9	170.8	0	0	0	108.6	L288 M292 C300 D304 L306 I312 V316 I318	L288-L314 HydrophobicContact CD1-CD1 3.74Å; L288-L314 HydrophobicContact CD2-CD1 4.3Å; L288-L314 HydrophobicContact CG-CD1 3.75Å; M292-L314 HydrophobicContact CE-CD1 4.05Å; M292-L314 HydrophobicContact CE-CD2 3.3Å; M292-L314 HydrophobicContact CE-CG 4.22Å; C300-L314 PolarHBondContact SG-O 2.98Å; D304-L314 CarbonylContact C-O 3.53Å; D304-L314 CarbonylContact O-C 3.53Å; D304-L314 VanDerWaalsContact O-C 3.26Å; D304-L314 PolarHBondContact O-N 3.4Å; L306-L314 HydrophobicContact CD1-CD1 3.81Å; L306-L314 HydrophobicContact CG-CB 4.18Å; L306-L314 HydrophobicContact CG-CD1 4.21Å; I312-L314 PolarHBondContact O-N 2.95Å; L314-V316 VanDerWaalsContact CD2-O 3.24Å; L314-V316 WeakPolarHBondContact CD2-O 3.22Å; L314-I318 HydrophobicContact CD2-CD1 4.29Å
315	S	98.8	Very high	95.4	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	18%	0.176	C	C	.	.			trans	-91.5	-4.4	-167.7	60.6	0	0	0	0	115.6	C300 T511 Q514 W515	C300-S315 VanDerWaalsContact SG-C 3.54Å; S315-T511 WeakPolarHBondContact CB-O 3.25Å; S315-T511 WeakPolarHBondContact O-CG2 3.29Å; S315-T511 PolarHBondContact OG-O 3.35Å; S315-Q514 WeakPolarHBondContact OG-CB 3.46Å; S315-W515 PolarHBondContact OG-N 3.23Å
316	V	98.9	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-121.9	130.7	-177.7	-61.2	0	0	0	0	110.6	W276 C300 L314 I318 M506 W515	W276-V316 HydrophobicContact CH2-CG2 4.5Å; C300-V316 PolarHBondContact SG-N 3.46Å; C300-V316 VanDerWaalsContact SG-N 3.45Å; C300-V316 PolarHBondContact SG-O 3.17Å; L314-V316 VanDerWaalsContact CD2-O 3.24Å; L314-V316 WeakPolarHBondContact CD2-O 3.22Å; V316-I318 HydrophobicContact CG2-CG1 4.45Å; V316-I318 PolarHBondContact O-N 3.28Å; V316-M506 HydrophobicContact CB-CE 4.1Å; V316-M506 HydrophobicContact CB-SD 3.8Å; V316-M506 HydrophobicContact CG1-CE 3.81Å; V316-M506 HydrophobicContact CG1-SD 3.8Å; V316-M506 HydrophobicContact CG2-CE 4.09Å; V316-M506 HydrophobicContact CG2-SD 4.29Å; V316-W515 HydrophobicContact CB-CB 4.43Å; V316-W515 HydrophobicContact CG1-CB 3.82Å; V316-W515 HydrophobicContact CG1-CG 4.33Å; V316-W515 HydrophobicContact CG2-CB 3.73Å; V316-W515 HydrophobicContact CG2-CD2 3.74Å; V316-W515 HydrophobicContact CG2-CE3 4.12Å; V316-W515 HydrophobicContact CG2-CG 3.53Å
317	P	98.9	Very high	95.5	Very high	2 Å²	2	29 Å²	29	1%	0.013	19%	0.19	C	C	.	.			trans	-60.9	119.8	173.7	-28.2	36.2	0	0	0	112.3	F297 L301 V319	F297-P317 HydrophobicContact CD2-CB 3.87Å; F297-P317 HydrophobicContact CD2-CG 4.19Å; F297-P317 HydrophobicContact CE2-CB 3.85Å; F297-P317 HydrophobicContact CE2-CG 3.97Å; L301-P317 HydrophobicContact CD2-CG 3.55Å; L301-P317 HydrophobicContact CG-CG 4.1Å; P317-V319 HydrophobicContact CB-CG1 4.11Å; P317-V319 HydrophobicContact CB-CG2 4.37Å
318	I	98.9	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.203	C	C	.	.			trans	-106	90.5	172.1	-54.9	177.4	0	0	0	107.4	W276 V279 L280 A285 L288 F291 M292 L314 V316 W515	W276-I318 HydrophobicContact CD2-CG2 4.43Å; W276-I318 HydrophobicContact CE3-CD1 4.44Å; W276-I318 HydrophobicContact CE3-CG1 4.12Å; W276-I318 HydrophobicContact CE3-CG2 3.91Å; W276-I318 HydrophobicContact CZ3-CD1 4.13Å; W276-I318 HydrophobicContact CZ3-CG1 3.88Å; V279-I318 HydrophobicContact CG1-CD1 4.47Å; L280-I318 HydrophobicContact CD1-CG2 3.87Å; L280-I318 HydrophobicContact CD2-CG2 3.95Å; L280-I318 HydrophobicContact CG-CG2 3.86Å; A285-I318 HydrophobicContact CB-CD1 3.41Å; A285-I318 VanDerWaalsContact CB-CD1 3.41Å; L288-I318 HydrophobicContact CD1-CB 4.27Å; L288-I318 HydrophobicContact CD1-CD1 4.18Å; F291-I318 HydrophobicContact CD1-CG2 4.34Å; M292-I318 PolarHBondContact N-O 2.89Å; L314-I318 HydrophobicContact CD2-CD1 4.29Å; V316-I318 HydrophobicContact CG2-CG1 4.45Å; V316-I318 PolarHBondContact O-N 3.28Å; I318-W515 HydrophobicContact CD1-CH2 4.13Å; I318-W515 HydrophobicContact CD1-CZ3 4.16Å
319	V	98.9	Very high	96.4	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.042	21%	0.206	C	C	.	.			trans	-133.7	153.8	-166.3	-63.1	0	0	0	0	110.8	F291 M292 F297 P317 Y354 R361 L386	F291-V319 VanDerWaalsContact CD1-C 3.45Å; M292-V319 HydrophobicContact CB-CG1 4.1Å; M292-V319 HydrophobicContact SD-CG1 4.47Å; F297-V319 HydrophobicContact CD2-CG1 3.8Å; F297-V319 HydrophobicContact CE2-CG1 4.35Å; P317-V319 HydrophobicContact CB-CG1 4.11Å; P317-V319 HydrophobicContact CB-CG2 4.37Å; V319-Y354 WeakPolarHBondContact CG1-OH 3.21Å; V319-R361 VanDerWaalsContact CG2-NH1 3.26Å; V319-L386 HydrophobicContact CB-CD1 4.01Å; V319-L386 HydrophobicContact CB-CD2 3.88Å; V319-L386 HydrophobicContact CB-CG 4.39Å; V319-L386 HydrophobicContact CG1-CD1 3.99Å; V319-L386 HydrophobicContact CG2-CD1 4.05Å; V319-L386 HydrophobicContact CG2-CD2 3.67Å; V319-L386 HydrophobicContact CG2-CG 4.47Å
320	L	98.8	Very high	97.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.6	175.1	-179.8	61.3	0	0	0	109.9	I269 D273 F291 V322 L338 L386 V387	I269-L320 HydrophobicContact CG2-CD1 3.99Å; D273-L320 HydrophobicContact CB-CD1 4.16Å; F291-L320 HydrophobicContact CB-CB 4.39Å; F291-L320 HydrophobicContact CD1-CB 3.92Å; F291-L320 HydrophobicContact CD2-CB 3.86Å; F291-L320 HydrophobicContact CD2-CD2 4.24Å; F291-L320 HydrophobicContact CE1-CB 4.09Å; F291-L320 HydrophobicContact CE2-CB 4.05Å; F291-L320 HydrophobicContact CE2-CD2 4.11Å; F291-L320 HydrophobicContact CE2-CG 4.5Å; F291-L320 HydrophobicContact CG-CB 3.79Å; F291-L320 HydrophobicContact CZ-CB 4.15Å; F291-L320 HydrophobicContact CZ-CD1 4.45Å; L320-V322 HydrophobicContact CG-CG1 4.43Å; L320-L338 HydrophobicContact CD2-CD1 4.26Å; L320-L338 HydrophobicContact CD2-CD2 3.69Å; L320-L386 WeakPolarHBondContact O-CA 3.5Å; L320-V387 HydrophobicContact CB-CG1 3.89Å; L320-V387 HydrophobicContact CD2-CG1 3.68Å; L320-V387 HydrophobicContact CG-CG1 3.85Å; L320-V387 PolarHBondContact O-N 3.36Å
321	P	98.6	Very high	97.9	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.195	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	138.6	176.3	31.3	-33.3	0	0	0	111.7	W385 L386	P321-W385 CarbonylContact C-O 3.45Å; P321-W385 VanDerWaalsContact CA-O 3.3Å; P321-W385 WeakPolarHBondContact CA-O 3.29Å; P321-L386 HydrophobicContact CB-CD2 3.98Å
322	V	98.5	Very high	98	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.7	179	-62.2	0	0	0	0	111.2	V267 L320 D326 K327 F353 G383 D384 W385 V387	V267-V322 HydrophobicContact CG2-CG1 4.2Å; L320-V322 HydrophobicContact CG-CG1 4.43Å; V322-D326 HydrophobicContact CB-CB 4.16Å; V322-K327 HydrophobicContact CG2-CB 4.47Å; V322-F353 HydrophobicContact CG2-CD1 4.02Å; V322-F353 HydrophobicContact CG2-CE1 3.98Å; V322-G383 CarbonylContact O-C 3.21Å; V322-G383 VanDerWaalsContact O-CA 3.25Å; V322-G383 WeakPolarHBondContact O-CA 3.34Å; V322-D384 PolarHBondContact O-N 2.99Å; V322-W385 HydrophobicContact CG2-CB 3.79Å; V322-W385 PolarHBondContact N-O 2.97Å; V322-W385 PolarHBondContact O-N 3.22Å; V322-V387 HydrophobicContact CG1-CG1 3.81Å
323	S	98.4	Very high	98.1	Very high	45 Å²	45	36.5 Å²	36.5	32%	0.315	22%	0.215	S	C	.	.			trans	-67.9	160.1	177.6	73.9	0	0	0	0	111.3	A325 D326 K327	S323-A325 PolarHBondContact O-N 3.27Å; S323-D326 PolarHBondContact O-N 2.94Å; S323-D326 WeakPolarHBondContact OG-CB 3.47Å; S323-D326 VanDerWaalsContact OG-CG 3.26Å; S323-D326 PolarHBondContact OG-N 3.34Å; S323-D326 PolarHBondContact OG-OD2 2.98Å; S323-K327 PolarHBondContact O-N 2.86Å
324	T	98.3	Very high	98.1	Very high	58 Å²	58	41.8 Å²	41.8	36%	0.356	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-37.9	172.6	-56.2	0	0	0	0	111.7	K327 E328	T324-K327 PolarHBondContact O-N 2.92Å; T324-E328 HydrophobicContact CG2-CG 4.5Å; T324-E328 WeakPolarHBondContact O-CG 3.32Å; T324-E328 PolarHBondContact O-N 2.77Å
325	A	98.3	Very high	98.1	Very high	66 Å²	66	42.2 Å²	42.2	55%	0.545	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-40.7	176.6	0	0	0	0	0	112.3	S323 R329	S323-A325 PolarHBondContact O-N 3.27Å; A325-R329 VanDerWaalsContact O-CB 3.27Å; A325-R329 WeakPolarHBondContact O-CB 3.4Å; A325-R329 PolarHBondContact O-N 3.46Å
326	D	98.2	Very high	98	Very high	42 Å²	42	42 Å²	42	23%	0.225	25%	0.25	C	S	.	.	H	α-helix	trans	-67.8	-41.3	174.7	-70.5	-51.7	0	0	0	111.7	V322 S323 R329 L330	V322-D326 HydrophobicContact CB-CB 4.16Å; S323-D326 PolarHBondContact O-N 2.94Å; S323-D326 WeakPolarHBondContact OG-CB 3.47Å; S323-D326 VanDerWaalsContact OG-CG 3.26Å; S323-D326 PolarHBondContact OG-N 3.34Å; S323-D326 PolarHBondContact OG-OD2 2.98Å; D326-R329 PolarHBondContact O-N 2.91Å; D326-R329 IonicContact OD1-CZ 3.47Å; D326-R329 IonicContact OD1-NE 2.71Å; D326-R329 IonicContact OD1-NH2 3.52Å; D326-R329 PolarHBondContact OD1-NH2 3.03Å; D326-L330 HydrophobicContact CB-CD1 4.35Å; D326-L330 WeakPolarHBondContact O-CB 3.36Å; D326-L330 VanDerWaalsContact O-CG 3.28Å; D326-L330 WeakPolarHBondContact O-CG 3.18Å; D326-L330 PolarHBondContact O-N 3.03Å
327	K	98.1	Very high	98	Very high	38 Å²	38	42 Å²	42	17%	0.165	25%	0.25	C	S	.	.	H	α-helix	trans	-56.4	-53.8	173.6	-176.4	-83.3	-172.4	-162.3	0	110.2	V322 S323 T324 R329 L330 D331 F353 W385	V322-K327 HydrophobicContact CG2-CB 4.47Å; S323-K327 PolarHBondContact O-N 2.86Å; T324-K327 PolarHBondContact O-N 2.92Å; K327-R329 VanDerWaalsContact C-N 3.27Å; K327-R329 PolarHBondContact O-N 3.17Å; K327-L330 PolarHBondContact O-N 2.88Å; K327-D331 IonicContact NZ-OD2 3.37Å; K327-D331 PolarHBondContact NZ-OD2 2.93Å; K327-D331 VanDerWaalsContact O-CB 3.32Å; K327-D331 WeakPolarHBondContact O-CB 3.45Å; K327-D331 PolarHBondContact O-N 2.73Å; K327-F353 HydrophobicContact CB-CD1 4.15Å; K327-F353 HydrophobicContact CB-CE1 4.45Å; K327-F353 HydrophobicContact CG-CB 3.98Å; K327-F353 HydrophobicContact CG-CD1 3.75Å; K327-F353 HydrophobicContact CG-CE1 4.41Å; K327-F353 HydrophobicContact CG-CG 3.93Å; K327-W385 HydrophobicContact CB-CB 4.28Å; K327-W385 HydrophobicContact CB-CD2 4.36Å; K327-W385 HydrophobicContact CB-CG 3.95Å; K327-W385 HydrophobicContact CD-CD2 4.33Å; K327-W385 HydrophobicContact CD-CZ2 4.43Å; K327-W385 HydrophobicContact CG-CB 4.36Å; K327-W385 HydrophobicContact CG-CD2 3.77Å; K327-W385 HydrophobicContact CG-CE3 4.1Å; K327-W385 HydrophobicContact CG-CG 3.86Å
328	E	98.1	Very high	98	Very high	141 Å²	141	42 Å²	42	66%	0.659	25%	0.25	S	C	*	.	H	α-helix	trans	-60	-37.1	-179.3	-73.4	173.1	-179.3	0	0	112.8	T324	T324-E328 HydrophobicContact CG2-CG 4.5Å; T324-E328 WeakPolarHBondContact O-CG 3.32Å; T324-E328 PolarHBondContact O-N 2.77Å
329	R	98.2	Very high	98	Very high	124 Å²	124	42.4 Å²	42.4	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-72.8	-31.6	178.6	-178.9	175.7	61.1	82.7	-2.5	113.6	A266 A325 D326 K327	A266-R329 PolarHBondContact O-NH1 3.1Å; A266-R329 PolarHBondContact O-NH2 2.88Å; A325-R329 VanDerWaalsContact O-CB 3.27Å; A325-R329 WeakPolarHBondContact O-CB 3.4Å; A325-R329 PolarHBondContact O-N 3.46Å; D326-R329 PolarHBondContact O-N 2.91Å; D326-R329 IonicContact OD1-CZ 3.47Å; D326-R329 IonicContact OD1-NE 2.71Å; D326-R329 IonicContact OD1-NH2 3.52Å; D326-R329 PolarHBondContact OD1-NH2 3.03Å; K327-R329 VanDerWaalsContact C-N 3.27Å; K327-R329 PolarHBondContact O-N 3.17Å
330	L	97.7	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-107.8	-3.5	-171.7	-63.1	169	0	0	0	113.1	P265 V267 D326 K327 V333 M336 F353	P265-L330 HydrophobicContact CB-CD2 3.74Å; P265-L330 HydrophobicContact CG-CD2 4.07Å; V267-L330 HydrophobicContact CB-CD1 3.94Å; V267-L330 HydrophobicContact CG2-CD1 4.42Å; D326-L330 HydrophobicContact CB-CD1 4.35Å; D326-L330 WeakPolarHBondContact O-CB 3.36Å; D326-L330 VanDerWaalsContact O-CG 3.28Å; D326-L330 WeakPolarHBondContact O-CG 3.18Å; D326-L330 PolarHBondContact O-N 3.03Å; K327-L330 PolarHBondContact O-N 2.88Å; L330-V333 WeakPolarHBondContact O-CG1 3.46Å; L330-V333 WeakPolarHBondContact O-CG2 3.4Å; L330-V333 PolarHBondContact O-N 3.11Å; L330-M336 HydrophobicContact CB-CE 4.13Å; L330-M336 HydrophobicContact CD1-CE 4.46Å; L330-M336 HydrophobicContact CD1-SD 3.96Å; L330-M336 HydrophobicContact CD2-CB 4.39Å; L330-F353 HydrophobicContact CB-CE1 4.47Å; L330-F353 HydrophobicContact CB-CE2 4.46Å; L330-F353 HydrophobicContact CB-CZ 3.69Å
331	D	95.6	Very high	97.9	Very high	91 Å²	91	48 Å²	48	49%	0.487	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	137.7	176.6	-156.2	-1.3	0	0	0	110.9	K327 V333	K327-D331 IonicContact NZ-OD2 3.37Å; K327-D331 PolarHBondContact NZ-OD2 2.93Å; K327-D331 VanDerWaalsContact O-CB 3.32Å; K327-D331 WeakPolarHBondContact O-CB 3.45Å; K327-D331 PolarHBondContact O-N 2.73Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.41Å
332	G	94.8	Very high	97.8	Very high	74 Å²	74	49.9 Å²	49.9	76%	0.763	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-2.3	-178.5	0	0	0	0	0	116.4
333	V	97.6	Very high	97.7	Very high	38 Å²	38	57.1 Å²	57.1	23%	0.23	34%	0.337	C	S	.	.			trans	-73.6	144.8	172.1	-50.4	0	0	0	0	110.4	P265 L330 D331 M336 P351	P265-V333 HydrophobicContact CG-CB 4.39Å; P265-V333 HydrophobicContact CG-CG1 4.11Å; P265-V333 HydrophobicContact CG-CG2 4.47Å; L330-V333 WeakPolarHBondContact O-CG1 3.46Å; L330-V333 WeakPolarHBondContact O-CG2 3.4Å; L330-V333 PolarHBondContact O-N 3.11Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.41Å; V333-M336 HydrophobicContact CG2-CB 4.41Å; V333-M336 HydrophobicContact CG2-CE 3.92Å; V333-P351 HydrophobicContact CG2-CG 4.06Å; V333-P351 VanDerWaalsContact O-CD 3.3Å; V333-P351 WeakPolarHBondContact O-CD 3.44Å; V333-P351 WeakPolarHBondContact O-CG 3.39Å
334	T	97.7	Very high	97.7	Very high	111 Å²	111	57.5 Å²	57.5	68%	0.681	33%	0.332	S	S	*	.	S	Bend	trans	-82.8	-21.5	178.1	53.6	0	0	0	0	112.9	N350	T334-N350 PolarHBondContact O-N 3.13Å
335	A	98.3	Very high	97.8	Very high	9 Å²	9	55.6 Å²	55.6	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	150.9	176.3	0	0	0	0	0	111.6	L264 I347 L348 R349	L264-A335 HydrophobicContact CD1-CB 3.83Å; L264-A335 HydrophobicContact CD2-CB 3.93Å; A335-I347 HydrophobicContact CB-CG2 4.13Å; A335-L348 CarbonylContact C-O 3.54Å; A335-L348 VanDerWaalsContact CA-O 3.31Å; A335-L348 WeakPolarHBondContact CA-O 3.41Å; A335-R349 HydrophobicContact CB-CG 3.97Å
336	M	98.4	Very high	97.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.8	173.3	69.1	-172.1	72.7	0	0	111	P265 V267 L330 V333 I347 L348 P351 F353 V387	P265-M336 CarbonylContact O-C 3.51Å; P265-M336 VanDerWaalsContact O-CA 3.3Å; P265-M336 WeakPolarHBondContact O-CA 3.3Å; V267-M336 HydrophobicContact CG1-SD 4.21Å; L330-M336 HydrophobicContact CB-CE 4.13Å; L330-M336 HydrophobicContact CD1-CE 4.46Å; L330-M336 HydrophobicContact CD1-SD 3.96Å; L330-M336 HydrophobicContact CD2-CB 4.39Å; V333-M336 HydrophobicContact CG2-CB 4.41Å; V333-M336 HydrophobicContact CG2-CE 3.92Å; M336-I347 CarbonylContact O-C 3.58Å; M336-I347 WeakPolarHBondContact O-CA 3.37Å; M336-L348 HydrophobicContact CG-CB 4.01Å; M336-L348 PolarHBondContact N-O 2.79Å; M336-L348 PolarHBondContact O-N 2.9Å; M336-L348 HydrophobicContact SD-CD2 4.36Å; M336-P351 HydrophobicContact CE-CB 3.41Å; M336-P351 VanDerWaalsContact CE-CB 3.41Å; M336-P351 HydrophobicContact CE-CG 3.57Å; M336-F353 HydrophobicContact CE-CE2 4.2Å; M336-F353 HydrophobicContact CE-CZ 3.64Å; M336-V387 HydrophobicContact CE-CG2 4.24Å
337	A	98.8	Very high	97.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.2	172.9	0	0	0	0	0	111.3	L264 P265 A266 V267 R344 A346	L264-A337 HydrophobicContact CB-CB 4.39Å; P265-A337 PolarHBondContact O-N 2.74Å; A266-A337 CarbonylContact C-O 3.58Å; A266-A337 VanDerWaalsContact CA-O 3.27Å; A266-A337 WeakPolarHBondContact CA-O 3.21Å; V267-A337 PolarHBondContact N-O 3.34Å; A337-R344 HydrophobicContact CB-CB 4.49Å; A337-R344 HydrophobicContact CB-CG 4.11Å; A337-A346 CarbonylContact C-O 3.55Å; A337-A346 WeakPolarHBondContact CA-O 3.22Å
338	L	98.8	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	168.2	-51.5	-170.8	0	0	0	108.9	V267 I269 V277 F291 L320 R344 V345 A346 L348 L391	V267-L338 HydrophobicContact CG1-CD2 3.35Å; I269-L338 HydrophobicContact CD1-CB 4.2Å; I269-L338 HydrophobicContact CG2-CB 4.27Å; I269-L338 HydrophobicContact CG2-CD2 4.37Å; V277-L338 HydrophobicContact CG2-CD1 4.03Å; F291-L338 HydrophobicContact CE2-CD1 3.86Å; L320-L338 HydrophobicContact CD2-CD1 4.26Å; L320-L338 HydrophobicContact CD2-CD2 3.69Å; L338-R344 CarbonylContact O-C 3.57Å; L338-R344 WeakPolarHBondContact O-CA 3.37Å; L338-V345 HydrophobicContact CB-CG2 4.17Å; L338-V345 WeakPolarHBondContact O-CG2 3.48Å; L338-V345 PolarHBondContact O-N 3.41Å; L338-A346 HydrophobicContact CB-CB 4.28Å; L338-A346 HydrophobicContact CD1-CB 4.12Å; L338-A346 HydrophobicContact CG-CB 4.24Å; L338-A346 PolarHBondContact N-O 2.88Å; L338-L348 HydrophobicContact CD2-CB 4.49Å; L338-L391 HydrophobicContact CD1-CD1 3.81Å
339	V	98.8	Very high	97.9	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.7	-178.1	-178.7	0	0	0	0	110.5	A266 V267 Q268 I269 R343 R344	A266-V339 HydrophobicContact CB-CG2 3.68Å; V267-V339 PolarHBondContact O-N 3.38Å; Q268-V339 WeakPolarHBondContact CA-O 3.5Å; Q268-V339 PolarHBondContact OE1-O 3.4Å; I269-V339 WeakPolarHBondContact CG1-O 3.38Å; I269-V339 PolarHBondContact N-O 3.41Å; V339-R343 CarbonylContact C-O 3.58Å; V339-R343 VanDerWaalsContact CA-O 3.27Å; V339-R343 WeakPolarHBondContact CA-O 3.26Å; V339-R344 HydrophobicContact CG2-CG 3.85Å
340	Y	98.6	Very high	97.9	Very high	41 Å²	41	42.9 Å²	42.9	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.1	174.7	177.2	-111	0	0	0	110	K271 M274 G342 R343	K271-Y340 HydrophobicContact CB-CE2 4.08Å; M274-Y340 HydrophobicContact CB-CD1 4.23Å; M274-Y340 HydrophobicContact CB-CD2 3.98Å; M274-Y340 HydrophobicContact CB-CE1 4.39Å; M274-Y340 HydrophobicContact CB-CE2 4.17Å; M274-Y340 HydrophobicContact CB-CG 4.02Å; M274-Y340 HydrophobicContact CG-CD1 3.7Å; M274-Y340 HydrophobicContact CG-CD2 4.35Å; M274-Y340 HydrophobicContact CG-CE1 3.95Å; M274-Y340 HydrophobicContact CG-CG 3.91Å; M274-Y340 HydrophobicContact SD-CD1 3.99Å; M274-Y340 HydrophobicContact SD-CG 4.02Å; Y340-G342 PolarHBondContact O-N 2.86Å; Y340-R343 PolarHBondContact N-O 2.84Å; Y340-R343 PolarHBondContact O-N 3.3Å
341	S	96.6	Very high	97.9	Very high	87 Å²	87	44 Å²	44	61%	0.608	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	43	-178.1	-54.1	0	0	0	0	112.7	R343	S341-R343 VanDerWaalsContact C-N 3.26Å; S341-R343 PolarHBondContact O-N 2.98Å
342	G	95.9	Very high	98.1	Very high	68 Å²	68	42.8 Å²	42.8	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	0.1	179.2	0	0	0	0	0	115.9	Y340	Y340-G342 PolarHBondContact O-N 2.86Å
343	R	97.6	Very high	98.3	Very high	157 Å²	157	40.7 Å²	40.7	59%	0.592	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	136	178.6	-64.3	-176.9	-69.7	-178.7	-0.7	111.1	V339 Y340 S341 V345	V339-R343 CarbonylContact C-O 3.58Å; V339-R343 VanDerWaalsContact CA-O 3.27Å; V339-R343 WeakPolarHBondContact CA-O 3.26Å; Y340-R343 PolarHBondContact N-O 2.84Å; Y340-R343 PolarHBondContact O-N 3.3Å; S341-R343 VanDerWaalsContact C-N 3.26Å; S341-R343 PolarHBondContact O-N 2.98Å; R343-V345 HydrophobicContact CB-CG1 4.5Å; R343-V345 PolarHBondContact O-N 3.48Å
344	R	98.4	Very high	98.3	Very high	54 Å²	54	39.2 Å²	39.2	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	115.4	168.7	-64.8	-179.8	-170.9	-103.3	5.8	108.4	A261 E262 L264 A337 L338 V339 L394	A261-R344 HydrophobicContact CB-CB 4.38Å; A261-R344 VanDerWaalsContact O-CD 3.22Å; A261-R344 WeakPolarHBondContact O-CD 3.48Å; A261-R344 PolarHBondContact O-NE 2.91Å; A261-R344 PolarHBondContact O-NH1 3.49Å; E262-R344 PolarHBondContact O-NH2 2.9Å; E262-R344 VanDerWaalsContact O-NH2 3.12Å; E262-R344 WeakPolarHBondContact OE1-CD 3.33Å; E262-R344 IonicContact OE1-NE 2.65Å; E262-R344 IonicContact OE2-CZ 2.84Å; E262-R344 IonicContact OE2-NE 3.78Å; E262-R344 PolarHBondContact OE2-NE 2.86Å; E262-R344 IonicContact OE2-NH2 3.59Å; L264-R344 PolarHBondContact O-NH1 3.37Å; L264-R344 PolarHBondContact O-NH2 3.05Å; A337-R344 HydrophobicContact CB-CB 4.49Å; A337-R344 HydrophobicContact CB-CG 4.11Å; L338-R344 CarbonylContact O-C 3.57Å; L338-R344 WeakPolarHBondContact O-CA 3.37Å; V339-R344 HydrophobicContact CG2-CG 3.85Å; R344-L394 HydrophobicContact CB-CD1 4.44Å
345	V	98.6	Very high	98.4	Very high	17 Å²	17	39.5 Å²	39.5	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-23.4	-172.9	-67.3	0	0	0	0	112.9	I269 M274 L338 R343 L394	I269-V345 HydrophobicContact CD1-CG2 4.14Å; M274-V345 HydrophobicContact CE-CB 4.15Å; M274-V345 HydrophobicContact CE-CG1 4.06Å; M274-V345 HydrophobicContact CE-CG2 4.45Å; M274-V345 HydrophobicContact SD-CB 4.15Å; M274-V345 HydrophobicContact SD-CG1 4.12Å; M274-V345 HydrophobicContact SD-CG2 3.82Å; L338-V345 HydrophobicContact CB-CG2 4.17Å; L338-V345 WeakPolarHBondContact O-CG2 3.48Å; L338-V345 PolarHBondContact O-N 3.41Å; R343-V345 HydrophobicContact CB-CG1 4.5Å; R343-V345 PolarHBondContact O-N 3.48Å; V345-L394 PolarHBondContact O-N 3.11Å
346	A	98.8	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	163.6	-179.4	0	0	0	0	0	111.3	V277 A337 L338 L391 Q392 V393	V277-A346 HydrophobicContact CG1-CB 4.43Å; A337-A346 CarbonylContact C-O 3.55Å; A337-A346 WeakPolarHBondContact CA-O 3.22Å; L338-A346 HydrophobicContact CB-CB 4.28Å; L338-A346 HydrophobicContact CD1-CB 4.12Å; L338-A346 HydrophobicContact CG-CB 4.24Å; L338-A346 PolarHBondContact N-O 2.88Å; A346-L391 HydrophobicContact CB-CD1 3.77Å; A346-L391 HydrophobicContact CB-CG 4.48Å; A346-Q392 CarbonylContact C-O 3.56Å; A346-Q392 WeakPolarHBondContact CA-O 3.06Å; A346-Q392 WeakPolarHBondContact CB-O 3.34Å; A346-V393 HydrophobicContact CB-CG2 4.17Å
347	I	98.9	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.5	169	-56.7	172.4	0	0	0	107.9	D260 A261 L264 A335 M336 R349 Q392 L394	D260-I347 HydrophobicContact CB-CD1 4.49Å; A261-I347 HydrophobicContact CB-CD1 3.92Å; A261-I347 HydrophobicContact CB-CG1 3.84Å; L264-I347 HydrophobicContact CD1-CB 4.43Å; L264-I347 HydrophobicContact CD1-CD1 4.22Å; L264-I347 HydrophobicContact CD1-CG1 4.13Å; L264-I347 HydrophobicContact CD1-CG2 3.52Å; A335-I347 HydrophobicContact CB-CG2 4.13Å; M336-I347 CarbonylContact O-C 3.58Å; M336-I347 WeakPolarHBondContact O-CA 3.37Å; I347-R349 HydrophobicContact CG2-CG 3.84Å; I347-Q392 PolarHBondContact N-O 3.49Å; I347-Q392 PolarHBondContact O-N 2.93Å; I347-L394 HydrophobicContact CD1-CD2 4.42Å
348	L	98.8	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.3	169.4	-171.1	69.8	0	0	0	108.6	F291 A335 M336 L338 V387 L391	F291-L348 HydrophobicContact CD2-CD1 4.32Å; A335-L348 CarbonylContact C-O 3.54Å; A335-L348 VanDerWaalsContact CA-O 3.31Å; A335-L348 WeakPolarHBondContact CA-O 3.41Å; M336-L348 HydrophobicContact CG-CB 4.01Å; M336-L348 PolarHBondContact N-O 2.79Å; M336-L348 PolarHBondContact O-N 2.9Å; M336-L348 HydrophobicContact SD-CD2 4.36Å; L338-L348 HydrophobicContact CD2-CB 4.49Å; L348-V387 HydrophobicContact CD2-CB 4.5Å; L348-V387 HydrophobicContact CD2-CG1 3.99Å; L348-V387 HydrophobicContact CD2-CG2 3.81Å; L348-L391 HydrophobicContact CD1-CB 4.29Å; L348-L391 HydrophobicContact CD1-CD1 4.14Å
349	R	98.7	Very high	98.4	Very high	53 Å²	53	54.5 Å²	54.5	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	154.3	179.7	-65.4	-163.6	173.4	73.6	-6.2	111.8	D260 A335 I347 G389 D390	D260-R349 IonicContact OD2-CZ 2.68Å; D260-R349 IonicContact OD2-NH2 3.16Å; D260-R349 PolarHBondContact OD2-NH2 3.05Å; A335-R349 HydrophobicContact CB-CG 3.97Å; I347-R349 HydrophobicContact CG2-CG 3.84Å; R349-G389 WeakPolarHBondContact O-CA 3.49Å; R349-D390 HydrophobicContact CB-CB 4.41Å; R349-D390 PolarHBondContact N-O 3.49Å; R349-D390 PolarHBondContact O-N 3.03Å
350	N	98.3	Very high	98.4	Very high	91 Å²	91	56.4 Å²	56.4	49%	0.487	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.2	53.4	-179.5	-51.8	-47.9	0	0	0	111.8	R293 T334 D390	R293-N350 PolarHBondContact NH1-O 2.94Å; R293-N350 PolarHBondContact NH2-O 3.4Å; T334-N350 PolarHBondContact O-N 3.13Å; N350-D390 PolarHBondContact ND2-OD2 2.93Å
351	P	98.4	Very high	98.4	Very high	24 Å²	24	55.1 Å²	55.1	16%	0.156	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	144.2	-173.9	30.5	-37.2	0	0	0	111.4	V333 M336 F353 V387 G388	V333-P351 HydrophobicContact CG2-CG 4.06Å; V333-P351 VanDerWaalsContact O-CD 3.3Å; V333-P351 WeakPolarHBondContact O-CD 3.44Å; V333-P351 WeakPolarHBondContact O-CG 3.39Å; M336-P351 HydrophobicContact CE-CB 3.41Å; M336-P351 VanDerWaalsContact CE-CB 3.41Å; M336-P351 HydrophobicContact CE-CG 3.57Å; P351-F353 HydrophobicContact CB-CE2 4.17Å; P351-F353 HydrophobicContact CG-CE2 4.43Å; P351-V387 HydrophobicContact CB-CG2 3.72Å; P351-G388 CarbonylContact C-O 3.47Å; P351-G388 VanDerWaalsContact CA-O 3.28Å; P351-G388 WeakPolarHBondContact CA-O 3.13Å
352	E	98.5	Very high	98.5	Very high	65 Å²	65	51 Å²	51	30%	0.304	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.6	174	178.4	-173	162.9	0	0	108.7	R293 V387 G388	R293-E352 WeakPolarHBondContact CB-OE2 3.46Å; R293-E352 IonicContact NH1-OE2 3.11Å; R293-E352 PolarHBondContact NH1-OE2 3.34Å; E352-V387 WeakPolarHBondContact O-CA 3.36Å; E352-G388 PolarHBondContact N-O 2.94Å; E352-G388 PolarHBondContact O-N 2.74Å
353	F	98.8	Very high	98.6	Very high	30 Å²	30	49.7 Å²	49.7	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.9	-179.5	-63.4	-91.9	0	0	0	110.9	V322 K327 L330 M336 P351 W385 L386 V387	V322-F353 HydrophobicContact CG2-CD1 4.02Å; V322-F353 HydrophobicContact CG2-CE1 3.98Å; K327-F353 HydrophobicContact CB-CD1 4.15Å; K327-F353 HydrophobicContact CB-CE1 4.45Å; K327-F353 HydrophobicContact CG-CB 3.98Å; K327-F353 HydrophobicContact CG-CD1 3.75Å; K327-F353 HydrophobicContact CG-CE1 4.41Å; K327-F353 HydrophobicContact CG-CG 3.93Å; L330-F353 HydrophobicContact CB-CE1 4.47Å; L330-F353 HydrophobicContact CB-CE2 4.46Å; L330-F353 HydrophobicContact CB-CZ 3.69Å; M336-F353 HydrophobicContact CE-CE2 4.2Å; M336-F353 HydrophobicContact CE-CZ 3.64Å; P351-F353 HydrophobicContact CB-CE2 4.17Å; P351-F353 HydrophobicContact CG-CE2 4.43Å; F353-W385 HydrophobicContact CB-CE3 4.33Å; F353-L386 WeakPolarHBondContact CA-O 3.13Å; F353-V387 HydrophobicContact CD1-CB 3.81Å; F353-V387 HydrophobicContact CD1-CG2 3.9Å; F353-V387 HydrophobicContact CD2-CG2 4.47Å; F353-V387 HydrophobicContact CE1-CB 3.75Å; F353-V387 HydrophobicContact CE1-CG2 3.64Å; F353-V387 HydrophobicContact CE2-CG2 4.24Å; F353-V387 HydrophobicContact CG-CG2 4.32Å; F353-V387 HydrophobicContact CZ-CB 4.44Å; F353-V387 HydrophobicContact CZ-CG2 3.83Å
354	Y	98.8	Very high	98.7	Very high	8 Å²	8	47.6 Å²	47.6	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.8	-179.5	62.1	-82.3	0	0	0	111.4	M292 E294 F297 V319 L386	M292-Y354 PolarHBondContact O-OH 3.37Å; E294-Y354 HydrophobicContact CB-CD1 3.96Å; E294-Y354 HydrophobicContact CB-CD2 3.89Å; E294-Y354 HydrophobicContact CB-CE1 4.43Å; E294-Y354 HydrophobicContact CB-CE2 4.34Å; E294-Y354 HydrophobicContact CB-CG 3.68Å; E294-Y354 HydrophobicContact CG-CD2 3.85Å; E294-Y354 HydrophobicContact CG-CE2 4.47Å; E294-Y354 HydrophobicContact CG-CG 4Å; F297-Y354 HydrophobicContact CB-CE2 3.96Å; F297-Y354 HydrophobicContact CD1-CD2 4.35Å; F297-Y354 AromaticContact CD1-CE2 3.59Å; F297-Y354 HydrophobicContact CD1-CE2 3.59Å; F297-Y354 HydrophobicContact CE1-CE2 4.17Å; F297-Y354 AromaticContact CG-CE2 3.8Å; F297-Y354 HydrophobicContact CG-CE2 3.8Å; V319-Y354 WeakPolarHBondContact CG1-OH 3.21Å; Y354-L386 HydrophobicContact CD1-CB 4.3Å; Y354-L386 HydrophobicContact CD2-CB 4.18Å; Y354-L386 HydrophobicContact CD2-CD1 4.38Å; Y354-L386 HydrophobicContact CE1-CB 3.81Å; Y354-L386 HydrophobicContact CE2-CB 3.7Å; Y354-L386 HydrophobicContact CE2-CD1 3.5Å; Y354-L386 HydrophobicContact CE2-CG 4.18Å; Y354-L386 HydrophobicContact CG-CB 4.46Å; Y354-L386 VanDerWaalsContact CZ-CB 3.48Å; Y354-L386 PolarHBondContact N-O 3.06Å; Y354-L386 PolarHBondContact O-N 2.97Å
355	Q	98.6	Very high	98.7	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.7	-173.3	-67.8	-175.7	-3.5	0	0	111.7	R357 W385	Q355-R357 HydrophobicContact CB-CG 3.87Å; Q355-W385 HydrophobicContact CG-CZ3 4.38Å
356	H	98.6	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.			trans	-74.9	-31	179.3	-168.5	177.4	0	0	0	113	K358 R361 S382 G383 D384 L386	H356-K358 VanDerWaalsContact C-N 3.27Å; H356-K358 HydrophobicContact CB-CG 4.3Å; H356-K358 PolarHBondContact O-N 3.32Å; H356-R361 WeakPolarHBondContact NE2-CD 3.41Å; H356-R361 PolarHBondContact NE2-NH1 3.46Å; H356-S382 PolarHBondContact CE1-OG 3.33Å; H356-S382 VanDerWaalsContact CE1-OG 3.27Å; H356-G383 PolarHBondContact ND1-O 2.87Å; H356-D384 WeakPolarHBondContact CB-O 3.29Å; H356-D384 PolarHBondContact N-O 3.33Å; H356-L386 HydrophobicContact CB-CD1 4.4Å; H356-L386 HydrophobicContact CB-CD2 4.2Å; H356-L386 HydrophobicContact CB-CG 3.84Å
357	R	98.3	Very high	98.7	Very high	157 Å²	157	47.6 Å²	47.6	59%	0.592	24%	0.237	S	C	*	.			trans	43.9	52.4	179.9	-52.3	-172.1	77.7	-176.5	-0.7	112.3	Q355 E359 E360 R361	Q355-R357 HydrophobicContact CB-CG 3.87Å; R357-E359 VanDerWaalsContact C-N 3.3Å; R357-E359 PolarHBondContact O-N 3.2Å; R357-E359 VanDerWaalsContact O-N 3.12Å; R357-E360 HydrophobicContact CB-CB 4.35Å; R357-E360 IonicContact CZ-OE2 3.64Å; R357-E360 IonicContact NE-OE2 2.69Å; R357-E360 PolarHBondContact NE-OE2 3.47Å; R357-E360 IonicContact NH1-OE2 2.87Å; R357-E360 PolarHBondContact NH1-OE2 3.01Å; R357-E360 IonicContact NH2-OE2 3.45Å; R357-E360 PolarHBondContact O-N 2.74Å; R357-R361 PolarHBondContact O-N 2.95Å
358	K	98.7	Very high	98.6	Very high	31 Å²	31	48.8 Å²	48.8	14%	0.135	25%	0.245	C	C	.	.	H	α-helix	trans	-48.8	-43.6	-167.3	-68.2	165.2	174.3	169.2	0	114.4	H356 R361 C362 V379 M380 S382 G383 D384	H356-K358 VanDerWaalsContact C-N 3.27Å; H356-K358 HydrophobicContact CB-CG 4.3Å; H356-K358 PolarHBondContact O-N 3.32Å; K358-R361 PolarHBondContact O-N 3.21Å; K358-C362 VanDerWaalsContact O-CB 3.28Å; K358-C362 WeakPolarHBondContact O-CB 3.13Å; K358-C362 PolarHBondContact O-N 2.97Å; K358-C362 PolarHBondContact O-SG 3.41Å; K358-V379 WeakPolarHBondContact CE-O 3.34Å; K358-V379 HydrophobicContact CG-CG1 4.35Å; K358-M380 HydrophobicContact CB-SD 3.98Å; K358-M380 PolarHBondContact NZ-O 3.37Å; K358-M380 VanDerWaalsContact NZ-O 3.13Å; K358-S382 VanDerWaalsContact CE-O 3.3Å; K358-S382 WeakPolarHBondContact CE-O 3.39Å; K358-S382 PolarHBondContact NZ-O 2.81Å; K358-G383 WeakPolarHBondContact CE-O 3.35Å; K358-D384 WeakPolarHBondContact CE-OD1 3.25Å; K358-D384 IonicContact NZ-OD1 3.85Å; K358-D384 PolarHBondContact NZ-OD1 3.23Å
359	E	98.7	Very high	98.6	Very high	137 Å²	137	51.3 Å²	51.3	64%	0.64	26%	0.26	S	S	*	.	H	α-helix	trans	-62.3	-47.7	179.2	-174.9	178.6	-157.4	0	0	111.9	R357 C362 A363 T369	R357-E359 VanDerWaalsContact C-N 3.3Å; R357-E359 PolarHBondContact O-N 3.2Å; R357-E359 VanDerWaalsContact O-N 3.12Å; E359-C362 PolarHBondContact O-N 3.46Å; E359-A363 WeakPolarHBondContact O-CB 3.34Å; E359-A363 PolarHBondContact O-N 2.82Å; E359-T369 HydrophobicContact CG-CG2 3.91Å; E359-T369 WeakPolarHBondContact O-CG2 3.48Å
360	E	98.8	Very high	98.6	Very high	49 Å²	49	49.8 Å²	49.8	23%	0.229	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-46.4	177.6	177.5	172.8	-166.5	0	0	111.3	R357 C362 A363 R364	R357-E360 HydrophobicContact CB-CB 4.35Å; R357-E360 IonicContact CZ-OE2 3.64Å; R357-E360 IonicContact NE-OE2 2.69Å; R357-E360 PolarHBondContact NE-OE2 3.47Å; R357-E360 IonicContact NH1-OE2 2.87Å; R357-E360 PolarHBondContact NH1-OE2 3.01Å; R357-E360 IonicContact NH2-OE2 3.45Å; R357-E360 PolarHBondContact O-N 2.74Å; E360-C362 VanDerWaalsContact C-N 3.31Å; E360-C362 PolarHBondContact O-N 3.5Å; E360-A363 PolarHBondContact O-N 2.87Å; E360-R364 HydrophobicContact CG-CG 4.5Å; E360-R364 WeakPolarHBondContact O-CG 3.48Å; E360-R364 PolarHBondContact O-N 3.48Å; E360-R364 IonicContact OE1-CZ 3.01Å; E360-R364 VanDerWaalsContact OE1-CZ 3.28Å; E360-R364 IonicContact OE1-NE 3.78Å; E360-R364 PolarHBondContact OE1-NE 2.9Å; E360-R364 IonicContact OE1-NH2 3.72Å; E360-R364 PolarHBondContact OE1-NH2 3.33Å
361	R	98.8	Very high	98.5	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-53.3	-51.9	174.1	178.1	-170.5	170.1	171.6	5.3	110.3	F297 L301 V319 H356 R357 K358 R364 Q365	F297-R361 HydrophobicContact CE2-CG 4.29Å; F297-R361 HydrophobicContact CZ-CB 4.34Å; F297-R361 HydrophobicContact CZ-CG 4.3Å; L301-R361 HydrophobicContact CD1-CB 4.45Å; L301-R361 HydrophobicContact CD2-CG 4.36Å; V319-R361 VanDerWaalsContact CG2-NH1 3.26Å; H356-R361 WeakPolarHBondContact NE2-CD 3.41Å; H356-R361 PolarHBondContact NE2-NH1 3.46Å; R357-R361 PolarHBondContact O-N 2.95Å; K358-R361 PolarHBondContact O-N 3.21Å; R361-R364 PolarHBondContact O-N 3.04Å; R361-Q365 VanDerWaalsContact O-CB 3.22Å; R361-Q365 WeakPolarHBondContact O-CB 3.29Å; R361-Q365 PolarHBondContact O-N 3.38Å
362	C	98.8	Very high	98.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-44.8	-176.7	-72.4	0	0	0	0	111.8	K358 E359 E360 R364 Q365 W366 T368 T369 I376 M380	K358-C362 VanDerWaalsContact O-CB 3.28Å; K358-C362 WeakPolarHBondContact O-CB 3.13Å; K358-C362 PolarHBondContact O-N 2.97Å; K358-C362 PolarHBondContact O-SG 3.41Å; E359-C362 PolarHBondContact O-N 3.46Å; E360-C362 VanDerWaalsContact C-N 3.31Å; E360-C362 PolarHBondContact O-N 3.5Å; C362-R364 VanDerWaalsContact C-N 3.35Å; C362-R364 PolarHBondContact O-N 3.45Å; C362-Q365 PolarHBondContact O-N 3Å; C362-W366 HydrophobicContact CB-CE3 4.25Å; C362-W366 HydrophobicContact CB-CZ3 4.48Å; C362-W366 PolarHBondContact O-N 2.94Å; C362-T368 CarbonylContact C-O 3.47Å; C362-T368 VanDerWaalsContact O-O 3.08Å; C362-T369 HydrophobicContact CB-CG2 4.33Å; C362-I376 HydrophobicContact CB-CD1 4.34Å; C362-I376 HydrophobicContact CB-CG1 4.45Å; C362-I376 HydrophobicContact CB-CG2 4.34Å; C362-M380 HydrophobicContact CB-CE 4.32Å
363	A	98.8	Very high	98.4	Very high	42 Å²	42	53.9 Å²	53.9	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-44.6	177.7	0	0	0	0	0	112.3	E359 E360 G367 T369	E359-A363 WeakPolarHBondContact O-CB 3.34Å; E359-A363 PolarHBondContact O-N 2.82Å; E360-A363 PolarHBondContact O-N 2.87Å; A363-G367 WeakPolarHBondContact O-CA 3.07Å; A363-G367 PolarHBondContact O-N 2.83Å; A363-T369 HydrophobicContact CB-CG2 3.73Å
364	R	98.7	Very high	98.4	Very high	112 Å²	112	53.8 Å²	53.8	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-73.2	-45.8	-179.5	-66.8	-177.1	-170.6	-64.7	-3.6	112.4	L301 H302 E360 R361 C362	L301-R364 HydrophobicContact CD2-CB 4.23Å; H302-R364 PolarHBondContact CE1-NE 3.13Å; E360-R364 HydrophobicContact CG-CG 4.5Å; E360-R364 WeakPolarHBondContact O-CG 3.48Å; E360-R364 PolarHBondContact O-N 3.48Å; E360-R364 IonicContact OE1-CZ 3.01Å; E360-R364 VanDerWaalsContact OE1-CZ 3.28Å; E360-R364 IonicContact OE1-NE 3.78Å; E360-R364 PolarHBondContact OE1-NE 2.9Å; E360-R364 IonicContact OE1-NH2 3.72Å; E360-R364 PolarHBondContact OE1-NH2 3.33Å; R361-R364 PolarHBondContact O-N 3.04Å; C362-R364 VanDerWaalsContact C-N 3.35Å; C362-R364 PolarHBondContact O-N 3.45Å
365	Q	98.8	Very high	98.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-40.3	-174.5	179.1	174.4	0.5	0	0	112.4	L301 R361 C362 M506 T511	L301-Q365 HydrophobicContact CD2-CB 4.38Å; R361-Q365 VanDerWaalsContact O-CB 3.22Å; R361-Q365 WeakPolarHBondContact O-CB 3.29Å; R361-Q365 PolarHBondContact O-N 3.38Å; C362-Q365 PolarHBondContact O-N 3Å; Q365-M506 PolarHBondContact NE2-SD 3.37Å; Q365-M506 VanDerWaalsContact NE2-SD 3.41Å; Q365-T511 WeakPolarHBondContact O-CB 3.47Å; Q365-T511 PolarHBondContact O-OG1 3.08Å
366	W	98.8	Very high	98.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-106.4	-12.9	-176.9	-74.1	-93.1	0	0	0	114.6	C362 T368 H373 Y375 I376 V379 M506 A508 Y547	C362-W366 HydrophobicContact CB-CE3 4.25Å; C362-W366 HydrophobicContact CB-CZ3 4.48Å; C362-W366 PolarHBondContact O-N 2.94Å; W366-T368 HydrophobicContact CB-CG2 4.02Å; W366-T368 PolarHBondContact O-N 3.22Å; W366-H373 AromaticContact CD1-CD2 3.96Å; W366-H373 AromaticContact CD1-CE1 3.69Å; W366-H373 AromaticContact CD1-NE2 3.4Å; W366-H373 AromaticContact NE1-CE1 3.34Å; W366-H373 PolarHBondContact NE1-CE1 2.86Å; W366-H373 VanDerWaalsContact NE1-CE1 3.34Å; W366-H373 AromaticContact NE1-NE2 3.52Å; W366-Y375 AromaticContact CH2-CD1 3.67Å; W366-Y375 HydrophobicContact CH2-CD1 3.67Å; W366-Y375 HydrophobicContact CH2-CE1 4.12Å; W366-Y375 AromaticContact CZ2-CD1 3.35Å; W366-Y375 HydrophobicContact CZ2-CD1 3.35Å; W366-Y375 HydrophobicContact CZ2-CE1 4.08Å; W366-Y375 AromaticContact CZ2-CG 3.91Å; W366-Y375 HydrophobicContact CZ2-CG 3.91Å; W366-I376 HydrophobicContact CB-CD1 3.96Å; W366-I376 HydrophobicContact CD2-CD1 4.04Å; W366-I376 HydrophobicContact CD2-CG1 3.73Å; W366-I376 HydrophobicContact CE3-CD1 4.27Å; W366-I376 HydrophobicContact CE3-CG1 3.9Å; W366-I376 HydrophobicContact CG-CD1 3.9Å; W366-I376 HydrophobicContact CG-CG1 4.06Å; W366-I376 HydrophobicContact CZ3-CG1 4.35Å; W366-V379 HydrophobicContact CH2-CG2 4.02Å; W366-M506 HydrophobicContact CZ2-CB 4.09Å; W366-M506 HydrophobicContact CZ2-CG 4.36Å; W366-M506 PolarHBondContact NE1-O 3.09Å; W366-A508 HydrophobicContact CD2-CB 4.45Å; W366-A508 HydrophobicContact CG-CB 4.1Å; W366-Y547 VanDerWaalsContact O-CE1 3.23Å; W366-Y547 WeakPolarHBondContact O-CE1 3.4Å; W366-Y547 PolarHBondContact O-OH 2.9Å
367	G	98.5	Very high	98.4	Very high	68 Å²	68	53.4 Å²	53.4	70%	0.701	27%	0.272	S	S	*	.	S	Bend	trans	70.6	11.7	-169.6	0	0	0	0	0	113.7	A363	A363-G367 WeakPolarHBondContact O-CA 3.07Å; A363-G367 PolarHBondContact O-N 2.83Å
368	T	98.4	Very high	98.4	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	25%	0.253	C	S	.	.			trans	-155.3	156.4	178.2	-176.2	0	0	0	0	110.1	C362 W366 C370 I376 L546	C362-T368 CarbonylContact C-O 3.47Å; C362-T368 VanDerWaalsContact O-O 3.08Å; W366-T368 HydrophobicContact CB-CG2 4.02Å; W366-T368 PolarHBondContact O-N 3.22Å; T368-C370 PolarHBondContact OG1-N 3.36Å; T368-I376 HydrophobicContact CG2-CD1 4.06Å; T368-I376 WeakPolarHBondContact O-CD1 3.28Å; T368-L546 HydrophobicContact CG2-CD1 3.84Å; T368-L546 HydrophobicContact CG2-CD2 4.16Å
369	T	98.4	Very high	98.4	Very high	53 Å²	53	46.7 Å²	46.7	33%	0.325	25%	0.249	S	C	.	.			trans	-114.1	16.7	173.4	55.2	0	0	0	0	112.3	E359 C362 A363 K371	E359-T369 HydrophobicContact CG-CG2 3.91Å; E359-T369 WeakPolarHBondContact O-CG2 3.48Å; C362-T369 HydrophobicContact CB-CG2 4.33Å; A363-T369 HydrophobicContact CB-CG2 3.73Å; T369-K371 PolarHBondContact O-N 2.87Å; T369-K371 VanDerWaalsContact O-N 3.07Å
370	C	98	Very high	98.4	Very high	20 Å²	20	42.6 Å²	42.6	14%	0.135	23%	0.23	C	C	.	.			trans	-56.4	113.1	-178.8	-178.1	0	0	0	0	111.3	T368 D372 H373	T368-C370 PolarHBondContact OG1-N 3.36Å; C370-D372 PolarHBondContact O-N 3.4Å; C370-H373 VanDerWaalsContact O-CB 3.28Å; C370-H373 WeakPolarHBondContact O-CB 3.43Å; C370-H373 PolarHBondContact O-N 2.62Å
371	K	95.9	Very high	98.3	Very high	149 Å²	149	46.7 Å²	46.7	65%	0.648	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.2	-177.1	-64.8	-177	179.4	-179.3	0	113.7	T369 H373 K377	T369-K371 PolarHBondContact O-N 2.87Å; T369-K371 VanDerWaalsContact O-N 3.07Å; K371-H373 VanDerWaalsContact C-N 3.28Å; K371-K377 WeakPolarHBondContact O-CB 3.41Å
372	D	97.3	Very high	98.3	Very high	117 Å²	117	47.6 Å²	47.6	63%	0.626	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	177.1	-58.4	-39.6	0	0	0	112.7	C370 P540	C370-D372 PolarHBondContact O-N 3.4Å; D372-P540 HydrophobicContact CB-CB 3.64Å; D372-P540 HydrophobicContact CB-CG 4.27Å
373	H	98.6	Very high	98.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-67.3	125.6	169	176.1	-58.1	0	0	0	107.9	W366 C370 K371 Y375 I376 K377 M506 Y507 P540	W366-H373 AromaticContact CD1-CD2 3.96Å; W366-H373 AromaticContact CD1-CE1 3.69Å; W366-H373 AromaticContact CD1-NE2 3.4Å; W366-H373 AromaticContact NE1-CE1 3.34Å; W366-H373 PolarHBondContact NE1-CE1 2.86Å; W366-H373 VanDerWaalsContact NE1-CE1 3.34Å; W366-H373 AromaticContact NE1-NE2 3.52Å; C370-H373 VanDerWaalsContact O-CB 3.28Å; C370-H373 WeakPolarHBondContact O-CB 3.43Å; C370-H373 PolarHBondContact O-N 2.62Å; K371-H373 VanDerWaalsContact C-N 3.28Å; H373-Y375 PolarHBondContact ND1-N 2.88Å; H373-Y375 PolarHBondContact O-N 3Å; H373-I376 HydrophobicContact CB-CB 3.99Å; H373-I376 HydrophobicContact CB-CD1 3.86Å; H373-I376 HydrophobicContact CB-CG1 4Å; H373-I376 PolarHBondContact ND1-N 3.21Å; H373-I376 PolarHBondContact O-N 3.22Å; H373-I376 VanDerWaalsContact O-N 3.14Å; H373-K377 PolarHBondContact O-N 2.84Å; H373-M506 PolarHBondContact CE1-O 2.59Å; H373-Y507 PolarHBondContact NE2-O 3.38Å; H373-P540 HydrophobicContact CB-CG 4.24Å
374	P	98.3	Very high	98.2	Very high	29 Å²	29	50.9 Å²	50.9	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-33.5	-161.4	29.1	-38.7	0	0	0	113.3	W467 K469 M537	P374-W467 HydrophobicContact CB-CH2 3.83Å; P374-W467 HydrophobicContact CB-CZ2 4.33Å; P374-W467 HydrophobicContact CG-CH2 4.18Å; P374-K469 HydrophobicContact CB-CB 4.14Å; P374-K469 HydrophobicContact CG-CB 3.84Å; P374-K469 HydrophobicContact CG-CD 4.23Å; P374-M537 HydrophobicContact CG-CE 4.28Å; P374-M537 HydrophobicContact CG-SD 4.22Å
375	Y	98.8	Very high	98.2	Very high	6 Å²	6	48.5 Å²	48.5	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-75	-43.7	172.6	-155.3	-74.4	0	0	0	113.1	L272 W276 W366 H373 K377 M378 V379 W467 P504 M505 M506	L272-Y375 HydrophobicContact CD1-CE2 4.09Å; W276-Y375 PolarHBondContact NE1-OH 3.01Å; W366-Y375 AromaticContact CH2-CD1 3.67Å; W366-Y375 HydrophobicContact CH2-CD1 3.67Å; W366-Y375 HydrophobicContact CH2-CE1 4.12Å; W366-Y375 AromaticContact CZ2-CD1 3.35Å; W366-Y375 HydrophobicContact CZ2-CD1 3.35Å; W366-Y375 HydrophobicContact CZ2-CE1 4.08Å; W366-Y375 AromaticContact CZ2-CG 3.91Å; W366-Y375 HydrophobicContact CZ2-CG 3.91Å; H373-Y375 PolarHBondContact ND1-N 2.88Å; H373-Y375 PolarHBondContact O-N 3Å; Y375-K377 PolarHBondContact O-N 3.06Å; Y375-M378 HydrophobicContact CD1-CE 4.5Å; Y375-M378 HydrophobicContact CD2-CE 3.55Å; Y375-M378 HydrophobicContact CE2-CE 3.94Å; Y375-M378 HydrophobicContact CG-CE 3.88Å; Y375-M378 WeakPolarHBondContact O-CB 3.39Å; Y375-M378 PolarHBondContact O-N 3.33Å; Y375-M378 VanDerWaalsContact O-N 3.1Å; Y375-V379 HydrophobicContact CD1-CG2 3.85Å; Y375-V379 HydrophobicContact CE1-CG2 3.9Å; Y375-V379 PolarHBondContact O-N 3.07Å; Y375-W467 AromaticContact CD2-CE3 3.78Å; Y375-W467 HydrophobicContact CD2-CE3 3.78Å; Y375-W467 AromaticContact CD2-CZ3 3.63Å; Y375-W467 HydrophobicContact CD2-CZ3 3.63Å; Y375-W467 HydrophobicContact CE2-CE3 4.28Å; Y375-W467 HydrophobicContact CG-CZ3 4.37Å; Y375-P504 HydrophobicContact CE2-CB 3.99Å; Y375-M505 VanDerWaalsContact CD2-O 3.25Å; Y375-M505 WeakPolarHBondContact CD2-O 3.4Å; Y375-M506 HydrophobicContact CD1-CG 4.31Å; Y375-M506 HydrophobicContact CD2-CB 4.34Å; Y375-M506 HydrophobicContact CD2-CG 3.98Å; Y375-M506 HydrophobicContact CE1-CG 4.09Å; Y375-M506 HydrophobicContact CE2-CG 3.72Å; Y375-M506 HydrophobicContact CG-CB 4.42Å; Y375-M506 HydrophobicContact CG-CG 4.25Å
376	I	98.8	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.7	-40.5	173.1	-65.4	-177.9	0	0	0	110.8	C362 W366 T368 H373 M378 V379 M380	C362-I376 HydrophobicContact CB-CD1 4.34Å; C362-I376 HydrophobicContact CB-CG1 4.45Å; C362-I376 HydrophobicContact CB-CG2 4.34Å; W366-I376 HydrophobicContact CB-CD1 3.96Å; W366-I376 HydrophobicContact CD2-CD1 4.04Å; W366-I376 HydrophobicContact CD2-CG1 3.73Å; W366-I376 HydrophobicContact CE3-CD1 4.27Å; W366-I376 HydrophobicContact CE3-CG1 3.9Å; W366-I376 HydrophobicContact CG-CD1 3.9Å; W366-I376 HydrophobicContact CG-CG1 4.06Å; W366-I376 HydrophobicContact CZ3-CG1 4.35Å; T368-I376 HydrophobicContact CG2-CD1 4.06Å; T368-I376 WeakPolarHBondContact O-CD1 3.28Å; H373-I376 HydrophobicContact CB-CB 3.99Å; H373-I376 HydrophobicContact CB-CD1 3.86Å; H373-I376 HydrophobicContact CB-CG1 4Å; H373-I376 PolarHBondContact ND1-N 3.21Å; H373-I376 PolarHBondContact O-N 3.22Å; H373-I376 VanDerWaalsContact O-N 3.14Å; I376-M378 VanDerWaalsContact C-N 3.34Å; I376-M378 PolarHBondContact O-N 3.04Å; I376-V379 WeakPolarHBondContact O-CB 3.16Å; I376-V379 PolarHBondContact O-N 3.39Å; I376-V379 VanDerWaalsContact O-N 3.1Å; I376-M380 HydrophobicContact CG2-CE 4.07Å; I376-M380 HydrophobicContact CG2-CG 4Å; I376-M380 VanDerWaalsContact O-CG 3.29Å; I376-M380 WeakPolarHBondContact O-CG 3.32Å; I376-M380 PolarHBondContact O-N 3.36Å
377	K	98.5	Very high	98.2	Very high	109 Å²	109	48.3 Å²	48.3	47%	0.474	26%	0.264	S	S	.	.	H	α-helix	trans	-53	-50.9	174.9	-173.6	178.7	172.4	-177.5	0	111.7	K371 H373 Y375 V379 M380 E381	K371-K377 WeakPolarHBondContact O-CB 3.41Å; H373-K377 PolarHBondContact O-N 2.84Å; Y375-K377 PolarHBondContact O-N 3.06Å; K377-V379 VanDerWaalsContact C-N 3.32Å; K377-V379 PolarHBondContact O-N 3.1Å; K377-M380 PolarHBondContact O-N 2.82Å; K377-E381 WeakPolarHBondContact CE-OE1 3.37Å; K377-E381 WeakPolarHBondContact CG-OE1 3.33Å; K377-E381 WeakPolarHBondContact O-CG 3.36Å; K377-E381 PolarHBondContact O-N 2.84Å
378	M	98.5	Very high	98.3	Very high	42 Å²	42	45.1 Å²	45.1	21%	0.207	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-38.4	176.6	-62.8	-172.5	-67.6	0	0	112.4	L272 Y375 I376 E381 S382 W467	L272-M378 HydrophobicContact CD1-CE 4.4Å; L272-M378 HydrophobicContact CD2-CE 4.03Å; L272-M378 HydrophobicContact CD2-SD 4.07Å; Y375-M378 HydrophobicContact CD1-CE 4.5Å; Y375-M378 HydrophobicContact CD2-CE 3.55Å; Y375-M378 HydrophobicContact CE2-CE 3.94Å; Y375-M378 HydrophobicContact CG-CE 3.88Å; Y375-M378 WeakPolarHBondContact O-CB 3.39Å; Y375-M378 PolarHBondContact O-N 3.33Å; Y375-M378 VanDerWaalsContact O-N 3.1Å; I376-M378 VanDerWaalsContact C-N 3.34Å; I376-M378 PolarHBondContact O-N 3.04Å; M378-E381 PolarHBondContact O-N 2.93Å; M378-S382 WeakPolarHBondContact O-CB 3.41Å; M378-S382 PolarHBondContact O-N 3.07Å; M378-W467 HydrophobicContact CE-CD2 3.51Å; M378-W467 VanDerWaalsContact CE-CE2 3.42Å; M378-W467 HydrophobicContact CE-CE3 3.64Å; M378-W467 HydrophobicContact CE-CG 4.22Å; M378-W467 HydrophobicContact CE-CH2 3.63Å; M378-W467 HydrophobicContact CE-CZ2 3.5Å; M378-W467 HydrophobicContact CE-CZ3 3.7Å; M378-W467 HydrophobicContact SD-CD2 4.24Å; M378-W467 HydrophobicContact SD-CZ2 4.02Å
379	V	98.6	Very high	98.3	Very high	6 Å²	6	44 Å²	44	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-42.9	175.2	174.8	0	0	0	0	111.1	K358 W366 Y375 I376 K377 E381 S382	K358-V379 WeakPolarHBondContact CE-O 3.34Å; K358-V379 HydrophobicContact CG-CG1 4.35Å; W366-V379 HydrophobicContact CH2-CG2 4.02Å; Y375-V379 HydrophobicContact CD1-CG2 3.85Å; Y375-V379 HydrophobicContact CE1-CG2 3.9Å; Y375-V379 PolarHBondContact O-N 3.07Å; I376-V379 WeakPolarHBondContact O-CB 3.16Å; I376-V379 PolarHBondContact O-N 3.39Å; I376-V379 VanDerWaalsContact O-N 3.1Å; K377-V379 VanDerWaalsContact C-N 3.32Å; K377-V379 PolarHBondContact O-N 3.1Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 2.85Å; V379-S382 PolarHBondContact O-N 2.92Å; V379-S382 PolarHBondContact O-OG 3.45Å
380	M	98.4	Very high	98.3	Very high	50 Å²	50	43.8 Å²	43.8	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-37.5	179.3	-67.8	-63.1	-172.9	0	0	112.1	K358 C362 I376 K377 S382	K358-M380 HydrophobicContact CB-SD 3.98Å; K358-M380 PolarHBondContact NZ-O 3.37Å; K358-M380 VanDerWaalsContact NZ-O 3.13Å; C362-M380 HydrophobicContact CB-CE 4.32Å; I376-M380 HydrophobicContact CG2-CE 4.07Å; I376-M380 HydrophobicContact CG2-CG 4Å; I376-M380 VanDerWaalsContact O-CG 3.29Å; I376-M380 WeakPolarHBondContact O-CG 3.32Å; I376-M380 PolarHBondContact O-N 3.36Å; K377-M380 PolarHBondContact O-N 2.82Å; M380-S382 VanDerWaalsContact C-N 3.34Å
381	E	97.9	Very high	98.3	Very high	136 Å²	136	43 Å²	43	64%	0.636	22%	0.216	S	C	*	.	H	α-helix	trans	-76.6	-15.9	177.6	-70	169.9	-180	0	0	113.8	K377 M378 V379	K377-E381 WeakPolarHBondContact CE-OE1 3.37Å; K377-E381 WeakPolarHBondContact CG-OE1 3.33Å; K377-E381 WeakPolarHBondContact O-CG 3.36Å; K377-E381 PolarHBondContact O-N 2.84Å; M378-E381 PolarHBondContact O-N 2.93Å; V379-E381 VanDerWaalsContact C-N 3.33Å; V379-E381 PolarHBondContact O-N 2.85Å
382	S	97.9	Very high	98.4	Very high	32 Å²	32	39.4 Å²	39.4	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-73.6	-177.4	179.6	75.4	0	0	0	0	113.5	H356 K358 M378 V379 M380	H356-S382 PolarHBondContact CE1-OG 3.33Å; H356-S382 VanDerWaalsContact CE1-OG 3.27Å; K358-S382 VanDerWaalsContact CE-O 3.3Å; K358-S382 WeakPolarHBondContact CE-O 3.39Å; K358-S382 PolarHBondContact NZ-O 2.81Å; M378-S382 WeakPolarHBondContact O-CB 3.41Å; M378-S382 PolarHBondContact O-N 3.07Å; V379-S382 PolarHBondContact O-N 2.92Å; V379-S382 PolarHBondContact O-OG 3.45Å; M380-S382 VanDerWaalsContact C-N 3.34Å
383	G	97.7	Very high	98.5	Very high	17 Å²	17	33.9 Å²	33.9	18%	0.175	17%	0.171	C	C	.	.			trans	-68.1	158.6	177.4	0	0	0	0	0	114.9	V322 H356 K358 W385	V322-G383 CarbonylContact O-C 3.21Å; V322-G383 VanDerWaalsContact O-CA 3.25Å; V322-G383 WeakPolarHBondContact O-CA 3.34Å; H356-G383 PolarHBondContact ND1-O 2.87Å; K358-G383 WeakPolarHBondContact CE-O 3.35Å; G383-W385 VanDerWaalsContact C-N 3.34Å
384	D	98.4	Very high	98.5	Very high	94 Å²	94	34.1 Å²	34.1	50%	0.503	17%	0.173	S	C	.	.	S	Bend	trans	-84.6	-8.5	-179.7	-65.9	-34.6	0	0	0	113.8	V322 H356 K358	V322-D384 PolarHBondContact O-N 2.99Å; H356-D384 WeakPolarHBondContact CB-O 3.29Å; H356-D384 PolarHBondContact N-O 3.33Å; K358-D384 WeakPolarHBondContact CE-OD1 3.25Å; K358-D384 IonicContact NZ-OD1 3.85Å; K358-D384 PolarHBondContact NZ-OD1 3.23Å
385	W	98.8	Very high	98.5	Very high	62 Å²	62	36.2 Å²	36.2	24%	0.235	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.9	175.8	-66.3	88.9	0	0	0	110.4	P321 V322 K327 F353 Q355 G383	P321-W385 CarbonylContact C-O 3.45Å; P321-W385 VanDerWaalsContact CA-O 3.3Å; P321-W385 WeakPolarHBondContact CA-O 3.29Å; V322-W385 HydrophobicContact CG2-CB 3.79Å; V322-W385 PolarHBondContact N-O 2.97Å; V322-W385 PolarHBondContact O-N 3.22Å; K327-W385 HydrophobicContact CB-CB 4.28Å; K327-W385 HydrophobicContact CB-CD2 4.36Å; K327-W385 HydrophobicContact CB-CG 3.95Å; K327-W385 HydrophobicContact CD-CD2 4.33Å; K327-W385 HydrophobicContact CD-CZ2 4.43Å; K327-W385 HydrophobicContact CG-CB 4.36Å; K327-W385 HydrophobicContact CG-CD2 3.77Å; K327-W385 HydrophobicContact CG-CE3 4.1Å; K327-W385 HydrophobicContact CG-CG 3.86Å; F353-W385 HydrophobicContact CB-CE3 4.33Å; Q355-W385 HydrophobicContact CG-CZ3 4.38Å; G383-W385 VanDerWaalsContact C-N 3.34Å
386	L	98.9	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147	166.5	-63.7	178.7	0	0	0	108.6	F297 V319 L320 P321 F353 Y354 H356	F297-L386 HydrophobicContact CD2-CD1 4.22Å; F297-L386 HydrophobicContact CE1-CD1 4.36Å; F297-L386 HydrophobicContact CE2-CD1 3.92Å; F297-L386 HydrophobicContact CZ-CD1 3.97Å; V319-L386 HydrophobicContact CB-CD1 4.01Å; V319-L386 HydrophobicContact CB-CD2 3.88Å; V319-L386 HydrophobicContact CB-CG 4.39Å; V319-L386 HydrophobicContact CG1-CD1 3.99Å; V319-L386 HydrophobicContact CG2-CD1 4.05Å; V319-L386 HydrophobicContact CG2-CD2 3.67Å; V319-L386 HydrophobicContact CG2-CG 4.47Å; L320-L386 WeakPolarHBondContact O-CA 3.5Å; P321-L386 HydrophobicContact CB-CD2 3.98Å; F353-L386 WeakPolarHBondContact CA-O 3.13Å; Y354-L386 HydrophobicContact CD1-CB 4.3Å; Y354-L386 HydrophobicContact CD2-CB 4.18Å; Y354-L386 HydrophobicContact CD2-CD1 4.38Å; Y354-L386 HydrophobicContact CE1-CB 3.81Å; Y354-L386 HydrophobicContact CE2-CB 3.7Å; Y354-L386 HydrophobicContact CE2-CD1 3.5Å; Y354-L386 HydrophobicContact CE2-CG 4.18Å; Y354-L386 HydrophobicContact CG-CB 4.46Å; Y354-L386 VanDerWaalsContact CZ-CB 3.48Å; Y354-L386 PolarHBondContact N-O 3.06Å; Y354-L386 PolarHBondContact O-N 2.97Å; H356-L386 HydrophobicContact CB-CD1 4.4Å; H356-L386 HydrophobicContact CB-CD2 4.2Å; H356-L386 HydrophobicContact CB-CG 3.84Å
387	V	98.8	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.5	170.8	66.5	0	0	0	0	110.2	L320 V322 M336 L348 P351 E352 F353	L320-V387 HydrophobicContact CB-CG1 3.89Å; L320-V387 HydrophobicContact CD2-CG1 3.68Å; L320-V387 HydrophobicContact CG-CG1 3.85Å; L320-V387 PolarHBondContact O-N 3.36Å; V322-V387 HydrophobicContact CG1-CG1 3.81Å; M336-V387 HydrophobicContact CE-CG2 4.24Å; L348-V387 HydrophobicContact CD2-CB 4.5Å; L348-V387 HydrophobicContact CD2-CG1 3.99Å; L348-V387 HydrophobicContact CD2-CG2 3.81Å; P351-V387 HydrophobicContact CB-CG2 3.72Å; E352-V387 WeakPolarHBondContact O-CA 3.36Å; F353-V387 HydrophobicContact CD1-CB 3.81Å; F353-V387 HydrophobicContact CD1-CG2 3.9Å; F353-V387 HydrophobicContact CD2-CG2 4.47Å; F353-V387 HydrophobicContact CE1-CB 3.75Å; F353-V387 HydrophobicContact CE1-CG2 3.64Å; F353-V387 HydrophobicContact CE2-CG2 4.24Å; F353-V387 HydrophobicContact CG-CG2 4.32Å; F353-V387 HydrophobicContact CZ-CB 4.44Å; F353-V387 HydrophobicContact CZ-CG2 3.83Å
388	G	98.8	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	159.8	172.3	0	0	0	0	0	111.3	F291 M292 P351 E352	F291-G388 VanDerWaalsContact O-CA 3.3Å; F291-G388 WeakPolarHBondContact O-CA 3.47Å; M292-G388 WeakPolarHBondContact O-CA 3.47Å; P351-G388 CarbonylContact C-O 3.47Å; P351-G388 VanDerWaalsContact CA-O 3.28Å; P351-G388 WeakPolarHBondContact CA-O 3.13Å; E352-G388 PolarHBondContact N-O 2.94Å; E352-G388 PolarHBondContact O-N 2.74Å
389	G	98.5	Very high	98.4	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	178.9	179.8	0	0	0	0	0	114.2	G290 F291 R349 L391	G290-G389 WeakPolarHBondContact CA-O 3.38Å; F291-G389 PolarHBondContact O-N 3.38Å; R349-G389 WeakPolarHBondContact O-CA 3.49Å; G389-L391 PolarHBondContact O-N 2.68Å
390	D	98.7	Very high	98.4	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111	179	-50.5	-50.6	0	0	0	109.1	R293 R349 N350	R293-D390 IonicContact NH2-OD1 2.78Å; R293-D390 IonicContact NH2-OD2 3.06Å; R349-D390 HydrophobicContact CB-CB 4.41Å; R349-D390 PolarHBondContact N-O 3.49Å; R349-D390 PolarHBondContact O-N 3.03Å; N350-D390 PolarHBondContact ND2-OD2 2.93Å
391	L	98.8	Very high	98.3	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.8	-175.1	-171.3	70.1	0	0	0	110.2	L247 V277 L280 N289 G290 F291 L338 A346 L348 G389 V393	L247-L391 HydrophobicContact CD1-CB 4.24Å; V277-L391 HydrophobicContact CG1-CD2 4.42Å; L280-L391 HydrophobicContact CB-CD2 3.93Å; L280-L391 HydrophobicContact CD1-CD2 3.79Å; N289-L391 PolarHBondContact O-N 3.41Å; G290-L391 VanDerWaalsContact CA-CB 3.44Å; F291-L391 HydrophobicContact CD2-CD1 4.43Å; F291-L391 HydrophobicContact CE2-CD1 4.27Å; F291-L391 HydrophobicContact CE2-CD2 4.25Å; L338-L391 HydrophobicContact CD1-CD1 3.81Å; A346-L391 HydrophobicContact CB-CD1 3.77Å; A346-L391 HydrophobicContact CB-CG 4.48Å; L348-L391 HydrophobicContact CD1-CB 4.29Å; L348-L391 HydrophobicContact CD1-CD1 4.14Å; G389-L391 PolarHBondContact O-N 2.68Å; L391-V393 HydrophobicContact CD2-CG2 3.8Å; L391-V393 HydrophobicContact CG-CG2 3.9Å
392	Q	98.6	Very high	98.3	Very high	73 Å²	73	44.5 Å²	44.5	34%	0.341	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.5	167.6	-71.5	-173.5	9.2	0	0	109	V249 A346 I347	V249-Q392 HydrophobicContact CG2-CB 3.88Å; A346-Q392 CarbonylContact C-O 3.56Å; A346-Q392 WeakPolarHBondContact CA-O 3.06Å; A346-Q392 WeakPolarHBondContact CB-O 3.34Å; I347-Q392 PolarHBondContact N-O 3.49Å; I347-Q392 PolarHBondContact O-N 2.93Å
393	V	98.7	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.7	-179.5	-175.2	0	0	0	0	108.9	L247 Y248 V249 V277 A281 A346 L391 I397	L247-V393 PolarHBondContact O-N 3.1Å; Y248-V393 CarbonylContact C-O 3.57Å; Y248-V393 WeakPolarHBondContact CA-O 3.38Å; Y248-V393 HydrophobicContact CD1-CB 3.88Å; Y248-V393 HydrophobicContact CD1-CG1 3.78Å; Y248-V393 HydrophobicContact CE1-CB 4.13Å; Y248-V393 HydrophobicContact CE1-CG1 3.59Å; V249-V393 PolarHBondContact N-O 2.99Å; V277-V393 HydrophobicContact CG1-CG1 4.12Å; V277-V393 HydrophobicContact CG1-CG2 3.74Å; A281-V393 HydrophobicContact CB-CB 3.91Å; A281-V393 HydrophobicContact CB-CG1 3.97Å; A281-V393 HydrophobicContact CB-CG2 3.71Å; A346-V393 HydrophobicContact CB-CG2 4.17Å; L391-V393 HydrophobicContact CD2-CG2 3.8Å; L391-V393 HydrophobicContact CG-CG2 3.9Å; V393-I397 HydrophobicContact CG1-CD1 4.05Å; V393-I397 HydrophobicContact CG1-CG1 4.43Å
394	L	98.6	Very high	98.4	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	23%	0.225	C	C	.	.			trans	-78.7	-95.5	-174	-61.4	173.3	0	0	0	109.7	V249 L254 A257 K258 A261 R344 V345 I347	V249-L394 HydrophobicContact CG2-CD2 4.34Å; L254-L394 VanDerWaalsContact CD1-C 3.43Å; L254-L394 HydrophobicContact CD1-CB 3.99Å; L254-L394 HydrophobicContact CD1-CD2 4.46Å; L254-L394 WeakPolarHBondContact CD1-O 3.41Å; A257-L394 HydrophobicContact CB-CD2 3.57Å; K258-L394 HydrophobicContact CG-CD1 4.28Å; K258-L394 HydrophobicContact CG-CD2 4.47Å; A261-L394 HydrophobicContact CB-CD1 3.9Å; R344-L394 HydrophobicContact CB-CD1 4.44Å; V345-L394 PolarHBondContact O-N 3.11Å; I347-L394 HydrophobicContact CD1-CD2 4.42Å
395	D	97.7	Very high	98.4	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	23%	0.227	S	C	.	.	S	Bend	trans	-71.6	145.6	179.8	-66.9	-68.5	0	0	0	112	K258 I397	K258-D395 VanDerWaalsContact CE-CG 3.44Å; K258-D395 WeakPolarHBondContact CE-OD1 3.38Å; K258-D395 WeakPolarHBondContact CE-OD2 3.17Å; K258-D395 VanDerWaalsContact NZ-CG 3.3Å; K258-D395 IonicContact NZ-OD1 3.68Å; K258-D395 PolarHBondContact NZ-OD1 3.1Å; K258-D395 IonicContact NZ-OD2 3.62Å; K258-D395 PolarHBondContact NZ-OD2 3.32Å; K258-D395 VanDerWaalsContact NZ-OD2 3.16Å; D395-I397 PolarHBondContact O-N 2.73Å
396	R	97.8	Very high	98.4	Very high	90 Å²	90	46.2 Å²	46.2	34%	0.34	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-57.7	135.8	168	-177.3	167.9	174.2	176.3	3.2	110.2	Y248 Y398 E412	Y248-R396 HydrophobicContact CE1-CB 4.37Å; R396-Y398 HydrophobicContact CB-CD2 4.48Å; R396-Y398 HydrophobicContact CB-CE2 3.85Å; R396-Y398 VanDerWaalsContact CD-OH 3.31Å; R396-Y398 WeakPolarHBondContact CD-OH 3.27Å; R396-Y398 HydrophobicContact CG-CD2 4.39Å; R396-Y398 HydrophobicContact CG-CE2 3.73Å; R396-Y398 PolarHBondContact NE-OH 3.33Å; R396-Y398 WeakPolarHBondContact O-CD2 3.37Å; R396-Y398 PolarHBondContact O-N 2.95Å; R396-E412 IonicContact CZ-OE1 3.3Å; R396-E412 IonicContact CZ-OE2 3.98Å; R396-E412 IonicContact NH1-OE1 2.9Å; R396-E412 PolarHBondContact NH1-OE1 2.81Å; R396-E412 IonicContact NH2-OE1 2.78Å; R396-E412 PolarHBondContact NH2-OE1 3Å; R396-E412 IonicContact NH2-OE2 2.74Å; R396-E412 PolarHBondContact NH2-OE2 3.34Å
397	I	98.4	Very high	98.4	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.067	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-84.7	117.5	-170.8	-62	166.6	0	0	0	110.1	Y248 M274 V277 Q278 A281 V393 D395	Y248-I397 HydrophobicContact CE1-CG1 4.41Å; Y248-I397 PolarHBondContact OH-N 2.64Å; M274-I397 HydrophobicContact CE-CB 4.23Å; M274-I397 HydrophobicContact CE-CD1 3.53Å; M274-I397 HydrophobicContact CE-CG1 3.47Å; M274-I397 VanDerWaalsContact CE-CG1 3.47Å; M274-I397 HydrophobicContact CE-CG2 3.75Å; V277-I397 HydrophobicContact CG1-CD1 3.99Å; Q278-I397 VanDerWaalsContact CA-CD1 3.5Å; Q278-I397 HydrophobicContact CB-CB 4.43Å; Q278-I397 HydrophobicContact CB-CD1 3.73Å; Q278-I397 HydrophobicContact CB-CG2 4.21Å; Q278-I397 HydrophobicContact CG-CB 4.21Å; Q278-I397 HydrophobicContact CG-CD1 4.24Å; Q278-I397 HydrophobicContact CG-CG2 4.21Å; A281-I397 HydrophobicContact CB-CD1 4.32Å; V393-I397 HydrophobicContact CG1-CD1 4.05Å; V393-I397 HydrophobicContact CG1-CG1 4.43Å; D395-I397 PolarHBondContact O-N 2.73Å
398	Y	98.1	Very high	98.4	Very high	115 Å²	115	47.8 Å²	47.8	45%	0.451	24%	0.238	S	C	.	.			trans	-124.2	135.9	173.8	-65.3	-77.1	0	0	0	109.9	R396 N400 D404	R396-Y398 HydrophobicContact CB-CD2 4.48Å; R396-Y398 HydrophobicContact CB-CE2 3.85Å; R396-Y398 VanDerWaalsContact CD-OH 3.31Å; R396-Y398 WeakPolarHBondContact CD-OH 3.27Å; R396-Y398 HydrophobicContact CG-CD2 4.39Å; R396-Y398 HydrophobicContact CG-CE2 3.73Å; R396-Y398 PolarHBondContact NE-OH 3.33Å; R396-Y398 WeakPolarHBondContact O-CD2 3.37Å; R396-Y398 PolarHBondContact O-N 2.95Å; Y398-N400 PolarHBondContact O-ND2 3.49Å; Y398-D404 HydrophobicContact CD1-CB 3.96Å
399	W	98.3	Very high	98.4	Very high	47 Å²	47	48 Å²	48	18%	0.178	24%	0.24	C	C	.	.			trans	-91.1	-17.2	-178.2	-67.9	89.2	0	0	0	113.2	K271 M274 Q275 D401 D404 R407	K271-W399 HydrophobicContact CD-CZ3 4.2Å; K271-W399 HydrophobicContact CG-CH2 3.99Å; K271-W399 HydrophobicContact CG-CZ3 3.84Å; M274-W399 HydrophobicContact CB-CH2 4.31Å; M274-W399 HydrophobicContact CG-CH2 4.11Å; Q275-W399 HydrophobicContact CB-CZ2 4.46Å; Q275-W399 HydrophobicContact CG-CH2 3.59Å; Q275-W399 HydrophobicContact CG-CZ2 3.47Å; Q275-W399 VanDerWaalsContact CG-CZ2 3.47Å; W399-D401 PolarHBondContact O-N 3.48Å; W399-D404 PolarHBondContact N-OD1 3.24Å; W399-D404 PolarHBondContact N-OD2 3.17Å; W399-R407 VanDerWaalsContact CD1-CD 3.48Å; W399-R407 VanDerWaalsContact CD1-CZ 3.48Å
400	N	97.8	Very high	98.4	Very high	131 Å²	131	47.9 Å²	47.9	70%	0.701	24%	0.238	S	C	*	.			trans	53.6	37.2	-179.8	-55.7	-75	0	0	0	112.9	Y398 D404	Y398-N400 PolarHBondContact O-ND2 3.49Å; N400-D404 WeakPolarHBondContact CA-OD2 3.47Å; N400-D404 PolarHBondContact N-OD2 2.93Å
401	D	97.6	Very high	98.4	Very high	72 Å²	72	48.8 Å²	48.8	39%	0.385	24%	0.243	S	C	.	.	S	Bend	trans	-106.2	11.9	-178.4	66.8	-8.8	0	0	0	113	W399 L403 R407	W399-D401 PolarHBondContact O-N 3.48Å; D401-L403 VanDerWaalsContact C-N 3.31Å; D401-L403 WeakPolarHBondContact OD1-CB 3.14Å; D401-L403 PolarHBondContact OD1-N 2.65Å; D401-L403 VanDerWaalsContact OD1-N 3.08Å; D401-R407 IonicContact OD1-CZ 2.68Å; D401-R407 IonicContact OD1-NH1 3.58Å; D401-R407 PolarHBondContact OD1-NH1 3.11Å; D401-R407 IonicContact OD1-NH2 3.79Å; D401-R407 IonicContact OD2-CZ 3.16Å; D401-R407 IonicContact OD2-NH1 3.52Å; D401-R407 PolarHBondContact OD2-NH1 3.43Å; D401-R407 IonicContact OD2-NH2 2.83Å; D401-R407 PolarHBondContact OD2-NH2 3.46Å
402	G	98.2	Very high	98.4	Very high	55 Å²	55	51.3 Å²	51.3	57%	0.567	26%	0.255	S	S	*	.	S	Bend	trans	78.6	9.5	-177.4	0	0	0	0	0	114.8	Q405	G402-Q405 PolarHBondContact O-NE2 3.2Å; G402-Q405 PolarHBondContact O-OE1 3.01Å; G402-Q405 VanDerWaalsContact O-OE1 3.13Å
403	L	98.6	Very high	98.4	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	24%	0.239	C	C	.	.			trans	-121.3	2.4	-179.6	-60.9	175.7	0	0	0	114.3	D401 Q405 Y406 L475 P476 M479 I500	D401-L403 VanDerWaalsContact C-N 3.31Å; D401-L403 WeakPolarHBondContact OD1-CB 3.14Å; D401-L403 PolarHBondContact OD1-N 2.65Å; D401-L403 VanDerWaalsContact OD1-N 3.08Å; L403-Q405 PolarHBondContact O-N 2.73Å; L403-Y406 HydrophobicContact CB-CD2 4.47Å; L403-Y406 HydrophobicContact CD2-CD2 4.08Å; L403-Y406 HydrophobicContact CD2-CE2 4.19Å; L403-Y406 WeakPolarHBondContact O-CB 3.44Å; L403-Y406 PolarHBondContact O-N 3.32Å; L403-L475 HydrophobicContact CD1-CD2 4Å; L403-L475 HydrophobicContact CD1-CG 3.9Å; L403-P476 HydrophobicContact CD1-CB 4.38Å; L403-P476 HydrophobicContact CD1-CG 4.11Å; L403-M479 HydrophobicContact CD1-CG 4.22Å; L403-M479 HydrophobicContact CD2-CB 4.11Å; L403-M479 HydrophobicContact CD2-CG 4.12Å; L403-I500 HydrophobicContact CB-CD1 3.86Å; L403-I500 HydrophobicContact CD1-CD1 4.32Å
404	D	98.6	Very high	98.4	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.144	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.6	-28.1	-177.3	-72	-40.9	0	0	0	113.5	Y398 W399 N400 Y406 R407	Y398-D404 HydrophobicContact CD1-CB 3.96Å; W399-D404 PolarHBondContact N-OD1 3.24Å; W399-D404 PolarHBondContact N-OD2 3.17Å; N400-D404 WeakPolarHBondContact CA-OD2 3.47Å; N400-D404 PolarHBondContact N-OD2 2.93Å; D404-Y406 PolarHBondContact O-N 2.68Å; D404-Y406 VanDerWaalsContact O-N 3.11Å; D404-R407 PolarHBondContact O-N 3.16Å; D404-R407 IonicContact OD1-CZ 3.62Å; D404-R407 IonicContact OD1-NH1 3.76Å; D404-R407 PolarHBondContact OD1-NH1 3.29Å
405	Q	98.3	Very high	98.4	Very high	117 Å²	117	55.2 Å²	55.2	55%	0.547	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.7	-18.9	173.4	70.4	-80.7	16.6	0	0	113.8	G402 L403	G402-Q405 PolarHBondContact O-NE2 3.2Å; G402-Q405 PolarHBondContact O-OE1 3.01Å; G402-Q405 VanDerWaalsContact O-OE1 3.13Å; L403-Q405 PolarHBondContact O-N 2.73Å
406	Y	98.6	Very high	98.4	Very high	81 Å²	81	55.6 Å²	55.6	32%	0.318	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-96.9	-10.7	174.6	-59.4	-75.3	0	0	0	112.7	L403 D404 L408 M479 A499 I500	L403-Y406 HydrophobicContact CB-CD2 4.47Å; L403-Y406 HydrophobicContact CD2-CD2 4.08Å; L403-Y406 HydrophobicContact CD2-CE2 4.19Å; L403-Y406 WeakPolarHBondContact O-CB 3.44Å; L403-Y406 PolarHBondContact O-N 3.32Å; D404-Y406 PolarHBondContact O-N 2.68Å; D404-Y406 VanDerWaalsContact O-N 3.11Å; Y406-L408 VanDerWaalsContact C-N 3.27Å; Y406-L408 PolarHBondContact O-N 2.87Å; Y406-M479 HydrophobicContact CD1-CE 3.77Å; Y406-M479 HydrophobicContact CD2-CE 3.72Å; Y406-M479 HydrophobicContact CE1-CE 4.13Å; Y406-M479 HydrophobicContact CE2-CE 4.08Å; Y406-M479 HydrophobicContact CG-CE 3.56Å; Y406-A499 CarbonylContact O-C 3.48Å; Y406-A499 VanDerWaalsContact O-CA 3.27Å; Y406-A499 WeakPolarHBondContact O-CA 3.33Å; Y406-I500 HydrophobicContact CG-CD1 4.44Å; Y406-I500 PolarHBondContact O-N 3.42Å
407	R	98.8	Very high	98.4	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.045	26%	0.256	C	S	.	.			trans	-85.3	71.6	179.7	-66.6	-173.4	178.6	89.9	5.3	110.5	W399 D401 D404 I500	W399-R407 VanDerWaalsContact CD1-CD 3.48Å; W399-R407 VanDerWaalsContact CD1-CZ 3.48Å; D401-R407 IonicContact OD1-CZ 2.68Å; D401-R407 IonicContact OD1-NH1 3.58Å; D401-R407 PolarHBondContact OD1-NH1 3.11Å; D401-R407 IonicContact OD1-NH2 3.79Å; D401-R407 IonicContact OD2-CZ 3.16Å; D401-R407 IonicContact OD2-NH1 3.52Å; D401-R407 PolarHBondContact OD2-NH1 3.43Å; D401-R407 IonicContact OD2-NH2 2.83Å; D401-R407 PolarHBondContact OD2-NH2 3.46Å; D404-R407 PolarHBondContact O-N 3.16Å; D404-R407 IonicContact OD1-CZ 3.62Å; D404-R407 IonicContact OD1-NH1 3.76Å; D404-R407 PolarHBondContact OD1-NH1 3.29Å; R407-I500 HydrophobicContact CG-CB 4.06Å; R407-I500 HydrophobicContact CG-CD1 4.5Å; R407-I500 HydrophobicContact CG-CG2 4.22Å
408	L	98.8	Very high	98.4	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.105	29%	0.285	C	S	.	.			trans	-83.1	131.5	179.4	-56.2	177.8	0	0	0	110.1	Y406 E412 L413 K416 I497 A499	Y406-L408 VanDerWaalsContact C-N 3.27Å; Y406-L408 PolarHBondContact O-N 2.87Å; L408-E412 WeakPolarHBondContact CA-OE2 3.41Å; L408-E412 HydrophobicContact CB-CB 4.21Å; L408-E412 HydrophobicContact CD2-CB 4.46Å; L408-L413 HydrophobicContact CB-CD2 4.03Å; L408-L413 HydrophobicContact CB-CG 3.93Å; L408-L413 HydrophobicContact CD1-CD2 3.86Å; L408-K416 HydrophobicContact CD1-CD 3.6Å; L408-K416 VanDerWaalsContact CD1-CE 3.44Å; L408-I497 HydrophobicContact CD1-CG2 4.47Å; L408-A499 HydrophobicContact CB-CB 4.41Å; L408-A499 HydrophobicContact CD1-CB 4.15Å; L408-A499 HydrophobicContact CG-CB 4.42Å
409	T	98.8	Very high	98.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.031	29%	0.289	C	S	.	.			trans	-66.2	162.9	172	65.4	0	0	0	0	111.1	E282 N411 E412 L413	E282-T409 HydrophobicContact CB-CG2 4.12Å; E282-T409 HydrophobicContact CG-CG2 3.77Å; T409-N411 PolarHBondContact O-N 3.43Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.48Å; T409-E412 PolarHBondContact N-OE2 3.1Å; T409-E412 PolarHBondContact O-N 3.11Å; T409-E412 WeakPolarHBondContact OG1-CB 3.33Å; T409-E412 VanDerWaalsContact OG1-CG 3.29Å; T409-E412 WeakPolarHBondContact OG1-CG 3.48Å; T409-E412 PolarHBondContact OG1-N 2.87Å; T409-E412 VanDerWaalsContact OG1-N 3.1Å; T409-E412 PolarHBondContact OG1-OE2 3.28Å; T409-L413 WeakPolarHBondContact O-CG 3.45Å; T409-L413 PolarHBondContact O-N 3.24Å
410	P	98.8	Very high	98.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-51.9	-39.8	170.9	-28.4	37.2	0	0	0	113.5	V244 E282 W284 L413 K414 V522 A523	V244-P410 HydrophobicContact CG1-CB 4.12Å; V244-P410 HydrophobicContact CG2-CB 3.82Å; E282-P410 WeakPolarHBondContact O-CD 3.47Å; E282-P410 WeakPolarHBondContact O-CG 3.41Å; W284-P410 HydrophobicContact CD2-CG 3.62Å; W284-P410 HydrophobicContact CE3-CG 3.79Å; W284-P410 HydrophobicContact CG-CG 4.13Å; W284-P410 HydrophobicContact CH2-CG 4.09Å; W284-P410 HydrophobicContact CZ2-CG 3.93Å; W284-P410 HydrophobicContact CZ3-CG 4.05Å; P410-L413 PolarHBondContact O-N 3.25Å; P410-K414 WeakPolarHBondContact O-CG 3.48Å; P410-K414 PolarHBondContact O-N 3.4Å; P410-V522 HydrophobicContact CB-CG1 4.35Å; P410-A523 HydrophobicContact CB-CB 4.23Å
411	N	98.5	Very high	98.3	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	29%	0.289	S	S	.	.	H	α-helix	trans	-70.8	-41.3	178.6	-77.8	-33.8	0	0	0	112.4	V244 E246 T409 L413 K414 Q415	V244-N411 WeakPolarHBondContact CG1-ND2 3.5Å; E246-N411 PolarHBondContact OE1-ND2 3.14Å; T409-N411 PolarHBondContact O-N 3.43Å; N411-L413 VanDerWaalsContact C-N 3.31Å; N411-L413 PolarHBondContact O-N 2.82Å; N411-K414 PolarHBondContact O-N 2.9Å; N411-Q415 WeakPolarHBondContact O-CB 3.39Å; N411-Q415 PolarHBondContact O-N 3.49Å
412	E	98.8	Very high	98.4	Very high	59 Å²	59	56.1 Å²	56.1	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-36.6	174	-72.8	167.7	152.5	0	0	112	R396 L408 T409 Q415 K416	R396-E412 IonicContact CZ-OE1 3.3Å; R396-E412 IonicContact CZ-OE2 3.98Å; R396-E412 IonicContact NH1-OE1 2.9Å; R396-E412 PolarHBondContact NH1-OE1 2.81Å; R396-E412 IonicContact NH2-OE1 2.78Å; R396-E412 PolarHBondContact NH2-OE1 3Å; R396-E412 IonicContact NH2-OE2 2.74Å; R396-E412 PolarHBondContact NH2-OE2 3.34Å; L408-E412 WeakPolarHBondContact CA-OE2 3.41Å; L408-E412 HydrophobicContact CB-CB 4.21Å; L408-E412 HydrophobicContact CD2-CB 4.46Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.48Å; T409-E412 PolarHBondContact N-OE2 3.1Å; T409-E412 PolarHBondContact O-N 3.11Å; T409-E412 WeakPolarHBondContact OG1-CB 3.33Å; T409-E412 VanDerWaalsContact OG1-CG 3.29Å; T409-E412 WeakPolarHBondContact OG1-CG 3.48Å; T409-E412 PolarHBondContact OG1-N 2.87Å; T409-E412 VanDerWaalsContact OG1-N 3.1Å; T409-E412 PolarHBondContact OG1-OE2 3.28Å; E412-Q415 PolarHBondContact O-N 3.48Å; E412-K416 WeakPolarHBondContact O-CG 3.31Å; E412-K416 PolarHBondContact O-N 3.13Å
413	L	98.8	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-50	173.1	-75.5	171.8	0	0	0	111.7	W284 L408 T409 P410 N411 Q415 K416 F417 L460 I497 A499 A523	W284-L413 HydrophobicContact CH2-CD1 3.68Å; W284-L413 HydrophobicContact CZ2-CD1 4.46Å; L408-L413 HydrophobicContact CB-CD2 4.03Å; L408-L413 HydrophobicContact CB-CG 3.93Å; L408-L413 HydrophobicContact CD1-CD2 3.86Å; T409-L413 WeakPolarHBondContact O-CG 3.45Å; T409-L413 PolarHBondContact O-N 3.24Å; P410-L413 PolarHBondContact O-N 3.25Å; N411-L413 VanDerWaalsContact C-N 3.31Å; N411-L413 PolarHBondContact O-N 2.82Å; L413-Q415 VanDerWaalsContact C-N 3.25Å; L413-Q415 PolarHBondContact O-N 2.96Å; L413-K416 PolarHBondContact O-N 2.74Å; L413-K416 VanDerWaalsContact O-N 3.1Å; L413-F417 HydrophobicContact CB-CE2 3.83Å; L413-F417 HydrophobicContact CB-CZ 4.02Å; L413-F417 HydrophobicContact CD2-CZ 4.17Å; L413-F417 WeakPolarHBondContact O-CD2 3.24Å; L413-F417 WeakPolarHBondContact O-CE2 3.36Å; L413-F417 VanDerWaalsContact O-CG 3.22Å; L413-F417 WeakPolarHBondContact O-CG 3.22Å; L413-F417 PolarHBondContact O-N 2.97Å; L413-L460 HydrophobicContact CD2-CD1 3.77Å; L413-I497 HydrophobicContact CD2-CG2 4.02Å; L413-A499 HydrophobicContact CD2-CB 3.84Å; L413-A523 HydrophobicContact CD1-CB 3.9Å
414	K	98.4	Very high	98.2	Very high	70 Å²	70	55.3 Å²	55.3	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-55.4	-42.9	175.1	-74.4	179.5	-177.4	176.7	0	112	V244 P410 N411 F417 K418 V522 A523	V244-K414 VanDerWaalsContact CG2-NZ 3.33Å; P410-K414 WeakPolarHBondContact O-CG 3.48Å; P410-K414 PolarHBondContact O-N 3.4Å; N411-K414 PolarHBondContact O-N 2.9Å; K414-F417 PolarHBondContact O-N 3.01Å; K414-K418 WeakPolarHBondContact O-CB 3.39Å; K414-K418 PolarHBondContact O-N 3.08Å; K414-V522 WeakPolarHBondContact CE-O 3.46Å; K414-V522 PolarHBondContact NZ-O 3.37Å; K414-A523 WeakPolarHBondContact CG-O 3.39Å
415	Q	98.2	Very high	98.2	Very high	90 Å²	90	54.3 Å²	54.3	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.9	-179.2	55.7	32.6	0	0	111.4	N411 E412 L413 F417 K418 E419	N411-Q415 WeakPolarHBondContact O-CB 3.39Å; N411-Q415 PolarHBondContact O-N 3.49Å; E412-Q415 PolarHBondContact O-N 3.48Å; L413-Q415 VanDerWaalsContact C-N 3.25Å; L413-Q415 PolarHBondContact O-N 2.96Å; Q415-F417 PolarHBondContact O-N 3.48Å; Q415-K418 WeakPolarHBondContact O-CB 3.47Å; Q415-K418 PolarHBondContact O-N 3.29Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.42Å; Q415-E419 PolarHBondContact NE2-OE1 3.46Å; Q415-E419 WeakPolarHBondContact O-CG 3.39Å; Q415-E419 PolarHBondContact O-N 3.11Å
416	K	98.4	Very high	98.3	Very high	81 Å²	81	48.8 Å²	48.8	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-41.7	174.4	-77.4	-168.6	179.9	-70.1	0	113.3	L408 E412 L413 K418 E419 M420 I497	L408-K416 HydrophobicContact CD1-CD 3.6Å; L408-K416 VanDerWaalsContact CD1-CE 3.44Å; E412-K416 WeakPolarHBondContact O-CG 3.31Å; E412-K416 PolarHBondContact O-N 3.13Å; L413-K416 PolarHBondContact O-N 2.74Å; L413-K416 VanDerWaalsContact O-N 3.1Å; K416-K418 VanDerWaalsContact C-N 3.27Å; K416-K418 PolarHBondContact O-N 2.85Å; K416-E419 PolarHBondContact O-N 2.83Å; K416-M420 WeakPolarHBondContact O-CG 3.35Å; K416-M420 PolarHBondContact O-N 3.38Å; K416-I497 HydrophobicContact CB-CD1 3.8Å; K416-I497 HydrophobicContact CD-CD1 4.49Å
417	F	98.4	Very high	98.3	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-40.7	176.1	-57.4	-41.3	0	0	0	111.4	L413 K414 Q415 M420 N421 A422 V425 V458 L460 I497 A523	L413-F417 HydrophobicContact CB-CE2 3.83Å; L413-F417 HydrophobicContact CB-CZ 4.02Å; L413-F417 HydrophobicContact CD2-CZ 4.17Å; L413-F417 WeakPolarHBondContact O-CD2 3.24Å; L413-F417 WeakPolarHBondContact O-CE2 3.36Å; L413-F417 VanDerWaalsContact O-CG 3.22Å; L413-F417 WeakPolarHBondContact O-CG 3.22Å; L413-F417 PolarHBondContact O-N 2.97Å; K414-F417 PolarHBondContact O-N 3.01Å; Q415-F417 PolarHBondContact O-N 3.48Å; F417-M420 PolarHBondContact O-N 3.4Å; F417-N421 PolarHBondContact O-N 2.52Å; F417-A422 HydrophobicContact CB-CB 4.26Å; F417-A422 WeakPolarHBondContact O-CB 3.28Å; F417-A422 PolarHBondContact O-N 2.91Å; F417-V425 HydrophobicContact CB-CG2 3.96Å; F417-V425 HydrophobicContact CD1-CG1 4.16Å; F417-V425 HydrophobicContact CD1-CG2 3.72Å; F417-V425 HydrophobicContact CD2-CG1 4.34Å; F417-V425 HydrophobicContact CD2-CG2 3.87Å; F417-V425 HydrophobicContact CE1-CG1 3.77Å; F417-V425 HydrophobicContact CE1-CG2 4.21Å; F417-V425 HydrophobicContact CE2-CG1 3.97Å; F417-V425 HydrophobicContact CE2-CG2 4.34Å; F417-V425 HydrophobicContact CG-CG1 4.47Å; F417-V425 HydrophobicContact CG-CG2 3.58Å; F417-V425 HydrophobicContact CZ-CG1 3.7Å; F417-V458 HydrophobicContact CD1-CG1 4.3Å; F417-V458 HydrophobicContact CE1-CG1 4.47Å; F417-L460 HydrophobicContact CE1-CB 4.45Å; F417-L460 HydrophobicContact CE1-CD1 4.49Å; F417-L460 HydrophobicContact CZ-CB 4.27Å; F417-L460 HydrophobicContact CZ-CD1 4.14Å; F417-L460 HydrophobicContact CZ-CD2 3.96Å; F417-L460 HydrophobicContact CZ-CG 4.33Å; F417-I497 HydrophobicContact CD1-CD1 3.45Å; F417-I497 VanDerWaalsContact CD1-CD1 3.45Å; F417-I497 HydrophobicContact CE1-CD1 3.41Å; F417-I497 VanDerWaalsContact CE1-CD1 3.41Å; F417-A523 WeakPolarHBondContact CE2-O 3.39Å
418	K	97.3	Very high	98.3	Very high	153 Å²	153	44.9 Å²	44.9	67%	0.665	22%	0.219	S	C	*	.	H	α-helix	trans	-64.7	-43.5	175.1	-176.4	-179.7	178.1	-176.1	0	112.1	K414 Q415 K416 M420 N421	K414-K418 WeakPolarHBondContact O-CB 3.39Å; K414-K418 PolarHBondContact O-N 3.08Å; Q415-K418 WeakPolarHBondContact O-CB 3.47Å; Q415-K418 PolarHBondContact O-N 3.29Å; K416-K418 VanDerWaalsContact C-N 3.27Å; K416-K418 PolarHBondContact O-N 2.85Å; K418-M420 VanDerWaalsContact C-N 3.31Å; K418-M420 PolarHBondContact O-N 3.06Å; K418-N421 WeakPolarHBondContact O-CA 3.33Å; K418-N421 PolarHBondContact O-N 2.74Å
419	E	98	Very high	98.3	Very high	116 Å²	116	45.3 Å²	45.3	54%	0.542	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-38.6	176	-73.7	165.3	-173.4	0	0	112.3	Q415 K416 N421	Q415-E419 WeakPolarHBondContact CG-OE1 3.42Å; Q415-E419 PolarHBondContact NE2-OE1 3.46Å; Q415-E419 WeakPolarHBondContact O-CG 3.39Å; Q415-E419 PolarHBondContact O-N 3.11Å; K416-E419 PolarHBondContact O-N 2.83Å; E419-N421 PolarHBondContact O-N 2.79Å; E419-N421 PolarHBondContact O-ND2 3.27Å
420	M	97.7	Very high	98.2	Very high	62 Å²	62	45.5 Å²	45.5	31%	0.305	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.4	173.2	-66	-178.1	75.7	0	0	113.3	K416 F417 K418 A422 V458 D494 I497	K416-M420 WeakPolarHBondContact O-CG 3.35Å; K416-M420 PolarHBondContact O-N 3.38Å; F417-M420 PolarHBondContact O-N 3.4Å; K418-M420 VanDerWaalsContact C-N 3.31Å; K418-M420 PolarHBondContact O-N 3.06Å; M420-A422 PolarHBondContact O-N 3.07Å; M420-V458 HydrophobicContact CB-CG2 4.33Å; M420-V458 HydrophobicContact CE-CG1 4.02Å; M420-V458 HydrophobicContact CE-CG2 3.88Å; M420-V458 HydrophobicContact SD-CG1 3.99Å; M420-V458 HydrophobicContact SD-CG2 4.31Å; M420-D494 WeakPolarHBondContact CE-O 3.49Å; M420-I497 HydrophobicContact SD-CD1 3.44Å; M420-I497 WeakPolarHBondContact SD-CD1 3.38Å; M420-I497 HydrophobicContact SD-CG1 3.6Å; M420-I497 VanDerWaalsContact SD-CG1 3.6Å
421	N	97.8	Very high	98	Very high	108 Å²	108	47.5 Å²	47.5	58%	0.578	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.9	-172.5	-62.6	-76	0	0	0	112.7	F417 K418 E419 D423 R456	F417-N421 PolarHBondContact O-N 2.52Å; K418-N421 WeakPolarHBondContact O-CA 3.33Å; K418-N421 PolarHBondContact O-N 2.74Å; E419-N421 PolarHBondContact O-N 2.79Å; E419-N421 PolarHBondContact O-ND2 3.27Å; N421-D423 PolarHBondContact O-N 3.22Å; N421-R456 VanDerWaalsContact O-CZ 3.26Å; N421-R456 PolarHBondContact O-NE 3.18Å; N421-R456 PolarHBondContact O-NH2 3.2Å
422	A	97.9	Very high	97.8	Very high	27 Å²	27	47 Å²	47	22%	0.223	23%	0.226	C	C	.	.			trans	-58.3	132.9	-179.1	0	0	0	0	0	110.2	F417 M420 V425 R456 V458	F417-A422 HydrophobicContact CB-CB 4.26Å; F417-A422 WeakPolarHBondContact O-CB 3.28Å; F417-A422 PolarHBondContact O-N 2.91Å; M420-A422 PolarHBondContact O-N 3.07Å; A422-V425 HydrophobicContact CB-CG2 4.11Å; A422-R456 WeakPolarHBondContact CA-O 3.13Å; A422-V458 HydrophobicContact CB-CB 4.06Å; A422-V458 HydrophobicContact CB-CG2 3.59Å
423	D	96.4	Very high	97.6	Very high	56 Å²	56	44.6 Å²	44.6	30%	0.299	22%	0.216	S	C	.	.	S	Bend	trans	-103.8	-10.1	173.2	59.4	-1.2	0	0	0	112.9	N421 Y454 R455 R456	N421-D423 PolarHBondContact O-N 3.22Å; D423-Y454 HydrophobicContact CB-CD1 4.47Å; D423-Y454 WeakPolarHBondContact O-CD1 3.5Å; D423-Y454 WeakPolarHBondContact O-CE1 3.18Å; D423-R455 PolarHBondContact OD1-N 3.48Å; D423-R455 WeakPolarHBondContact OD2-CB 3.49Å; D423-R455 PolarHBondContact OD2-N 3.09Å; D423-R456 PolarHBondContact N-O 2.8Å; D423-R456 WeakPolarHBondContact OD1-CA 3.44Å; D423-R456 PolarHBondContact OD1-N 3.23Å; D423-R456 PolarHBondContact OD2-N 2.75Å
424	A	97.8	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.7	165.1	0	0	0	0	0	110.2	L449 Y454 P457 V458 F527	A424-L449 HydrophobicContact CB-CD1 4.36Å; A424-Y454 HydrophobicContact CB-CD1 3.49Å; A424-Y454 VanDerWaalsContact CB-CD1 3.49Å; A424-Y454 HydrophobicContact CB-CD2 4.21Å; A424-Y454 HydrophobicContact CB-CE1 3.82Å; A424-Y454 HydrophobicContact CB-CG 3.71Å; A424-P457 HydrophobicContact CB-CB 4.43Å; A424-P457 CarbonylContact O-C 3.57Å; A424-P457 WeakPolarHBondContact O-CA 3.37Å; A424-V458 PolarHBondContact O-N 2.69Å; A424-F527 HydrophobicContact CB-CD2 4.27Å; A424-F527 HydrophobicContact CB-CE2 3.81Å
425	V	98.7	Very high	97.3	Very high	5 Å²	5	43 Å²	43	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.4	171.6	179.3	0	0	0	0	109	F417 A422 V458 L460 A525 N526 F527	F417-V425 HydrophobicContact CB-CG2 3.96Å; F417-V425 HydrophobicContact CD1-CG1 4.16Å; F417-V425 HydrophobicContact CD1-CG2 3.72Å; F417-V425 HydrophobicContact CD2-CG1 4.34Å; F417-V425 HydrophobicContact CD2-CG2 3.87Å; F417-V425 HydrophobicContact CE1-CG1 3.77Å; F417-V425 HydrophobicContact CE1-CG2 4.21Å; F417-V425 HydrophobicContact CE2-CG1 3.97Å; F417-V425 HydrophobicContact CE2-CG2 4.34Å; F417-V425 HydrophobicContact CG-CG1 4.47Å; F417-V425 HydrophobicContact CG-CG2 3.58Å; F417-V425 HydrophobicContact CZ-CG1 3.7Å; A422-V425 HydrophobicContact CB-CG2 4.11Å; V425-V458 WeakPolarHBondContact CA-O 3.4Å; V425-L460 HydrophobicContact CG1-CB 4.23Å; V425-A525 HydrophobicContact CG1-CB 4.36Å; V425-N526 PolarHBondContact N-OD1 2.87Å; V425-N526 PolarHBondContact O-N 3.42Å; V425-F527 PolarHBondContact O-N 3.36Å
426	F	98.7	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.3	176	61.4	-79.9	0	0	0	110.6	T445 Q446 L449 P457 V458 L459 L460 F527 I529	F426-T445 HydrophobicContact CB-CG2 4.03Å; F426-T445 HydrophobicContact CD2-CG2 3.8Å; F426-T445 HydrophobicContact CE2-CG2 4.42Å; F426-T445 HydrophobicContact CG-CG2 3.99Å; F426-Q446 HydrophobicContact CE1-CB 4.32Å; F426-Q446 HydrophobicContact CE1-CG 4.38Å; F426-Q446 HydrophobicContact CE2-CB 4.42Å; F426-Q446 HydrophobicContact CZ-CB 3.75Å; F426-Q446 HydrophobicContact CZ-CG 4.11Å; F426-L449 HydrophobicContact CB-CD1 4.04Å; F426-L449 HydrophobicContact CD1-CD1 3.55Å; F426-L449 HydrophobicContact CE1-CD1 4.24Å; F426-L449 HydrophobicContact CG-CD1 3.98Å; F426-P457 HydrophobicContact CD1-CB 4.24Å; F426-P457 HydrophobicContact CE1-CB 3.92Å; F426-V458 VanDerWaalsContact CD1-O 3.25Å; F426-V458 WeakPolarHBondContact CD1-O 3.4Å; F426-V458 VanDerWaalsContact CE1-C 3.41Å; F426-V458 PolarHBondContact N-O 3.19Å; F426-L459 HydrophobicContact CD2-CB 4.39Å; F426-L459 HydrophobicContact CD2-CD1 3.77Å; F426-L459 HydrophobicContact CE1-CB 4.13Å; F426-L459 HydrophobicContact CE2-CB 3.68Å; F426-L459 HydrophobicContact CE2-CD1 3.54Å; F426-L459 HydrophobicContact CE2-CG 4.09Å; F426-L459 HydrophobicContact CZ-CB 3.52Å; F426-L459 HydrophobicContact CZ-CD1 4.31Å; F426-L459 HydrophobicContact CZ-CG 4.41Å; F426-L460 PolarHBondContact O-N 2.89Å; F426-F527 CarbonylContact C-O 3.59Å; F426-F527 WeakPolarHBondContact CA-O 3.28Å; F426-F527 HydrophobicContact CB-CB 3.75Å; F426-I529 HydrophobicContact CD2-CD1 3.88Å; F426-I529 HydrophobicContact CE2-CD1 4.48Å
427	A	98.8	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.9	-173.4	0	0	0	0	0	112	L460 R520 A525 F527 Y528 I529	A427-L460 HydrophobicContact CB-CB 4.4Å; A427-L460 HydrophobicContact CB-CD2 4.3Å; A427-R520 HydrophobicContact CB-CB 3.92Å; A427-R520 HydrophobicContact CB-CG 3.76Å; A427-A525 HydrophobicContact CB-CB 3.9Å; A427-F527 PolarHBondContact N-O 3.32Å; A427-Y528 HydrophobicContact CB-CD2 4.21Å; A427-I529 PolarHBondContact O-N 3.48Å; A427-I529 VanDerWaalsContact O-N 3.1Å
428	F	98.7	Very high	96.7	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	105.7	170.6	-165.4	-97.9	0	0	0	109.8	L430 H438 L441 M442 L459 L460 L461 H462 I529	F428-L430 HydrophobicContact CD1-CB 4.29Å; F428-L430 HydrophobicContact CD1-CD2 4.11Å; F428-L430 HydrophobicContact CE1-CB 4.11Å; F428-L430 VanDerWaalsContact O-CD2 3.31Å; F428-L430 WeakPolarHBondContact O-CD2 3.15Å; F428-H438 HydrophobicContact CE1-CB 3.91Å; F428-H438 HydrophobicContact CZ-CB 3.73Å; F428-H438 AromaticContact CZ-CD2 3.77Å; F428-H438 AromaticContact CZ-CG 3.88Å; F428-L441 HydrophobicContact CE2-CB 4.36Å; F428-L441 HydrophobicContact CE2-CD2 4.37Å; F428-M442 HydrophobicContact CB-CG 3.99Å; F428-M442 HydrophobicContact CB-SD 3.73Å; F428-M442 HydrophobicContact CD1-CE 4.07Å; F428-M442 HydrophobicContact CD1-CG 4.35Å; F428-M442 HydrophobicContact CD1-SD 3.75Å; F428-M442 HydrophobicContact CD2-CG 3.7Å; F428-M442 HydrophobicContact CD2-SD 4.18Å; F428-M442 HydrophobicContact CE1-CE 4.23Å; F428-M442 HydrophobicContact CE1-SD 4.45Å; F428-M442 HydrophobicContact CE2-CG 4.3Å; F428-M442 HydrophobicContact CG-CE 4.41Å; F428-M442 HydrophobicContact CG-CG 3.75Å; F428-M442 HydrophobicContact CG-SD 3.61Å; F428-L459 HydrophobicContact CB-CD1 4.05Å; F428-L460 PolarHBondContact N-O 2.75Å; F428-L461 HydrophobicContact CD1-CD1 4.16Å; F428-H462 PolarHBondContact O-N 2.81Å; F428-I529 HydrophobicContact CB-CD1 4.5Å; F428-I529 HydrophobicContact CD2-CB 3.84Å; F428-I529 HydrophobicContact CD2-CD1 3.97Å; F428-I529 HydrophobicContact CD2-CG2 3.64Å; F428-I529 HydrophobicContact CE2-CB 4.47Å; F428-I529 HydrophobicContact CE2-CG2 3.78Å
429	Q	98.6	Very high	96.7	Very high	28 Å²	28	30.6 Å²	30.6	13%	0.131	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.6	171.8	161.4	60.2	7.5	0	0	110.1	H462 H516 R520 Y528	Q429-H462 PolarHBondContact OE1-O 3.32Å; Q429-H516 HydrophobicContact CG-CB 4.08Å; Q429-H516 WeakPolarHBondContact CG-ND1 3.33Å; Q429-H516 PolarHBondContact NE2-CE1 3.08Å; Q429-R520 VanDerWaalsContact OE1-CZ 3.29Å; Q429-R520 VanDerWaalsContact OE1-NH1 3.07Å; Q429-Y528 HydrophobicContact CB-CE2 4.37Å; Q429-Y528 WeakPolarHBondContact CB-OH 3.49Å
430	L	97.1	Very high	96.6	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149	174.6	65.3	170.2	0	0	0	112.7	F428 V434 L461 H462 P463 L464 H482	F428-L430 HydrophobicContact CD1-CB 4.29Å; F428-L430 HydrophobicContact CD1-CD2 4.11Å; F428-L430 HydrophobicContact CE1-CB 4.11Å; F428-L430 VanDerWaalsContact O-CD2 3.31Å; F428-L430 WeakPolarHBondContact O-CD2 3.15Å; L430-V434 HydrophobicContact CD1-CG2 3.33Å; L430-L461 HydrophobicContact CD1-CD1 3.98Å; L430-L461 HydrophobicContact CD2-CD1 3.67Å; L430-L461 HydrophobicContact CD2-CG 4.3Å; L430-H462 VanDerWaalsContact CD2-C 3.5Å; L430-P463 HydrophobicContact CD2-CB 4.25Å; L430-P463 HydrophobicContact CG-CB 4.26Å; L430-P463 CarbonylContact O-C 3.26Å; L430-P463 VanDerWaalsContact O-CA 3.3Å; L430-P463 WeakPolarHBondContact O-CA 3.33Å; L430-L464 PolarHBondContact O-N 2.92Å; L430-H482 WeakPolarHBondContact CD1-NE2 3.32Å
431	R	95.9	Very high	96.6	Very high	41 Å²	41	24.2 Å²	24.2	16%	0.155	13%	0.127	C	C	.	.	S	Bend	trans	-119.4	-6.9	167.6	73.1	178.6	-169.2	-101.9	5.9	112.9	D472 R478 G536	R431-D472 IonicContact NE-OD2 3.99Å; R431-R478 WeakPolarHBondContact O-CD 3.47Å; R431-R478 PolarHBondContact O-NE 2.96Å; R431-G536 PolarHBondContact NH1-O 3.49Å; R431-G536 PolarHBondContact NH2-O 3.19Å
432	N	94	Very high	96.6	Very high	56 Å²	56	19.1 Å²	19.1	30%	0.299	10%	0.1	S	C	.	.	S	Bend	trans	-112.3	161.5	-173.3	-69.6	-40.7	0	0	0	110.6
433	P	95.1	Very high	96.6	Very high	9 Å²	9	22 Å²	22	6%	0.058	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-52.4	145.8	166.8	-25.9	35.6	0	0	0	112.8	H435 V473 Q481 L624	P433-H435 PolarHBondContact O-N 3.36Å; P433-V473 HydrophobicContact CG-CB 4.22Å; P433-V473 HydrophobicContact CG-CG2 3.81Å; P433-Q481 HydrophobicContact CB-CG 4.25Å; P433-L624 HydrophobicContact CB-CD1 3.88Å; P433-L624 HydrophobicContact CB-CD2 3.97Å; P433-L624 HydrophobicContact CB-CG 4.46Å; P433-L624 HydrophobicContact CG-CD1 4.15Å; P433-L624 HydrophobicContact CG-CD2 3.61Å
434	V	95.4	Very high	96.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-82.1	116.4	178.1	172.7	0	0	0	0	109.5	L430 H438 M442 L461 Q481 V485	L430-V434 HydrophobicContact CD1-CG2 3.33Å; V434-H438 HydrophobicContact CG1-CB 4.27Å; V434-M442 HydrophobicContact CG1-CE 4.11Å; V434-L461 HydrophobicContact CG2-CD1 4.32Å; V434-Q481 PolarHBondContact O-NE2 3.38Å; V434-V485 HydrophobicContact CB-CG2 4.2Å; V434-V485 HydrophobicContact CG1-CG1 4.05Å; V434-V485 HydrophobicContact CG1-CG2 4.31Å
435	H	94.2	Very high	96.6	Very high	35 Å²	35	21 Å²	21	16%	0.162	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-102.7	169.8	164.5	57.5	64.6	0	0	0	110.2	P433 G437 H438 A439 F615 M616	P433-H435 PolarHBondContact O-N 3.36Å; H435-G437 WeakPolarHBondContact ND1-CA 3.48Å; H435-G437 PolarHBondContact ND1-N 3.16Å; H435-G437 VanDerWaalsContact ND1-N 3.12Å; H435-G437 PolarHBondContact O-N 3.11Å; H435-G437 VanDerWaalsContact O-N 3.1Å; H435-H438 AromaticContact CD2-CE1 3.66Å; H435-H438 AromaticContact CD2-ND1 3.84Å; H435-H438 AromaticContact CE1-CD2 3.72Å; H435-H438 AromaticContact CE1-CE1 3.67Å; H435-H438 AromaticContact CE1-CG 3.79Å; H435-H438 AromaticContact CE1-ND1 3.77Å; H435-H438 AromaticContact CE1-NE2 3.66Å; H435-H438 PolarHBondContact ND1-N 2.65Å; H435-H438 AromaticContact ND1-ND1 3.98Å; H435-H438 AromaticContact NE2-CE1 3.24Å; H435-H438 PolarHBondContact NE2-CE1 3.08Å; H435-H438 AromaticContact NE2-ND1 3.69Å; H435-H438 AromaticContact NE2-NE2 3.47Å; H435-H438 PolarHBondContact NE2-NE2 3.43Å; H435-H438 WeakPolarHBondContact O-CB 3.46Å; H435-H438 PolarHBondContact O-N 3.47Å; H435-A439 PolarHBondContact O-N 3.37Å; H435-A439 VanDerWaalsContact O-N 3.16Å; H435-F615 HydrophobicContact CB-CE1 4.15Å; H435-F615 HydrophobicContact CB-CE2 4.44Å; H435-F615 HydrophobicContact CB-CZ 4.06Å; H435-M616 HydrophobicContact CB-CB 4.48Å; H435-M616 HydrophobicContact CB-CE 3.73Å
436	N	94.8	Very high	96.6	Very high	31 Å²	31	23.2 Å²	23.2	17%	0.166	11%	0.114	C	C	.	.	H	α-helix	trans	-66.4	-18.3	-174.1	-67.4	-6.7	0	0	0	113.1	A439 L440 M582 G614 F615	N436-A439 PolarHBondContact O-N 3.35Å; N436-L440 WeakPolarHBondContact O-CB 3Å; N436-L440 PolarHBondContact O-N 3.18Å; N436-M582 HydrophobicContact CB-CB 4.23Å; N436-M582 HydrophobicContact CB-CG 3.66Å; N436-G614 WeakPolarHBondContact CB-O 3.37Å; N436-G614 PolarHBondContact ND2-O 3.49Å; N436-F615 VanDerWaalsContact CB-O 3.3Å; N436-F615 WeakPolarHBondContact CB-O 3.43Å; N436-F615 PolarHBondContact N-O 3.45Å
437	G	93.5	Very high	96.5	Very high	2 Å²	2	29 Å²	29	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-44.1	167.2	0	0	0	0	0	113	H435 A439 L440 L441	H435-G437 WeakPolarHBondContact ND1-CA 3.48Å; H435-G437 PolarHBondContact ND1-N 3.16Å; H435-G437 VanDerWaalsContact ND1-N 3.12Å; H435-G437 PolarHBondContact O-N 3.11Å; H435-G437 VanDerWaalsContact O-N 3.1Å; G437-A439 VanDerWaalsContact C-N 3.35Å; G437-L440 PolarHBondContact O-N 2.85Å; G437-L441 WeakPolarHBondContact O-CD1 3.36Å; G437-L441 PolarHBondContact O-N 3.35Å
438	H	95	Very high	96.4	Very high	41 Å²	41	33.5 Å²	33.5	19%	0.19	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-41.2	172.2	-60.6	142.8	0	0	0	110.8	F428 V434 H435 L440 L441 M442	F428-H438 HydrophobicContact CE1-CB 3.91Å; F428-H438 HydrophobicContact CZ-CB 3.73Å; F428-H438 AromaticContact CZ-CD2 3.77Å; F428-H438 AromaticContact CZ-CG 3.88Å; V434-H438 HydrophobicContact CG1-CB 4.27Å; H435-H438 AromaticContact CD2-CE1 3.66Å; H435-H438 AromaticContact CD2-ND1 3.84Å; H435-H438 AromaticContact CE1-CD2 3.72Å; H435-H438 AromaticContact CE1-CE1 3.67Å; H435-H438 AromaticContact CE1-CG 3.79Å; H435-H438 AromaticContact CE1-ND1 3.77Å; H435-H438 AromaticContact CE1-NE2 3.66Å; H435-H438 PolarHBondContact ND1-N 2.65Å; H435-H438 AromaticContact ND1-ND1 3.98Å; H435-H438 AromaticContact NE2-CE1 3.24Å; H435-H438 PolarHBondContact NE2-CE1 3.08Å; H435-H438 AromaticContact NE2-ND1 3.69Å; H435-H438 AromaticContact NE2-NE2 3.47Å; H435-H438 PolarHBondContact NE2-NE2 3.43Å; H435-H438 WeakPolarHBondContact O-CB 3.46Å; H435-H438 PolarHBondContact O-N 3.47Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.01Å; H438-L441 WeakPolarHBondContact O-CB 3.47Å; H438-L441 PolarHBondContact O-N 3.42Å; H438-M442 HydrophobicContact CB-CE 4.08Å; H438-M442 WeakPolarHBondContact O-CE 3.32Å; H438-M442 PolarHBondContact O-N 3.11Å; H438-M442 VanDerWaalsContact O-N 3.14Å
439	A	96.2	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-40.3	177.1	0	0	0	0	0	112.1	H435 N436 G437 L441 M442 Q443 V490 L491	H435-A439 PolarHBondContact O-N 3.37Å; H435-A439 VanDerWaalsContact O-N 3.16Å; N436-A439 PolarHBondContact O-N 3.35Å; G437-A439 VanDerWaalsContact C-N 3.35Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-L441 PolarHBondContact O-N 3.3Å; A439-M442 PolarHBondContact O-N 3.27Å; A439-M442 VanDerWaalsContact O-N 3.14Å; A439-Q443 WeakPolarHBondContact O-CB 3.45Å; A439-Q443 WeakPolarHBondContact O-CG 3.27Å; A439-Q443 PolarHBondContact O-N 3.01Å; A439-V490 HydrophobicContact CB-CG1 3.58Å; A439-L491 HydrophobicContact CB-CD2 4.27Å
440	L	96.4	Very high	96.4	Very high	33 Å²	33	35.7 Å²	35.7	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-44.3	175.7	178.3	64.8	0	0	0	111.8	N436 G437 H438 M442 D444 A573 F584	N436-L440 WeakPolarHBondContact O-CB 3Å; N436-L440 PolarHBondContact O-N 3.18Å; G437-L440 PolarHBondContact O-N 2.85Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.01Å; L440-M442 VanDerWaalsContact C-N 3.35Å; L440-M442 PolarHBondContact O-N 2.88Å; L440-D444 WeakPolarHBondContact O-CB 3.5Å; L440-D444 PolarHBondContact O-N 2.69Å; L440-A573 HydrophobicContact CD2-CB 4.21Å; L440-F584 HydrophobicContact CD1-CE2 4.41Å; L440-F584 HydrophobicContact CD2-CD1 4.27Å; L440-F584 HydrophobicContact CD2-CD2 4.29Å; L440-F584 HydrophobicContact CD2-CE1 4.09Å; L440-F584 HydrophobicContact CD2-CE2 4.12Å; L440-F584 HydrophobicContact CD2-CG 4.37Å; L440-F584 HydrophobicContact CD2-CZ 4.01Å; L440-F584 HydrophobicContact CG-CE1 4.29Å; L440-F584 HydrophobicContact CG-CE2 4.16Å; L440-F584 HydrophobicContact CG-CZ 3.88Å
441	L	96.9	Very high	96.4	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-43.3	176.4	-87.4	67.3	0	0	0	111.6	F428 G437 H438 A439 T445 I529 F570 A573 F584	F428-L441 HydrophobicContact CE2-CB 4.36Å; F428-L441 HydrophobicContact CE2-CD2 4.37Å; G437-L441 WeakPolarHBondContact O-CD1 3.36Å; G437-L441 PolarHBondContact O-N 3.35Å; H438-L441 WeakPolarHBondContact O-CB 3.47Å; H438-L441 PolarHBondContact O-N 3.42Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-L441 PolarHBondContact O-N 3.3Å; L441-T445 WeakPolarHBondContact O-CB 3.48Å; L441-T445 PolarHBondContact O-N 2.78Å; L441-T445 PolarHBondContact O-OG1 3.43Å; L441-I529 HydrophobicContact CB-CG2 4.21Å; L441-I529 HydrophobicContact CD2-CG2 4.12Å; L441-F570 HydrophobicContact CB-CD2 4.24Å; L441-F570 HydrophobicContact CB-CE2 4.33Å; L441-F570 HydrophobicContact CB-CG 4.36Å; L441-F570 HydrophobicContact CD1-CB 4.27Å; L441-F570 HydrophobicContact CD1-CD1 4.48Å; L441-F570 HydrophobicContact CD1-CG 4.39Å; L441-F570 HydrophobicContact CD2-CB 3.62Å; L441-F570 HydrophobicContact CD2-CD2 3.97Å; L441-F570 HydrophobicContact CD2-CG 3.88Å; L441-F570 HydrophobicContact CG-CB 3.67Å; L441-F570 HydrophobicContact CG-CD1 3.88Å; L441-F570 HydrophobicContact CG-CD2 3.78Å; L441-F570 HydrophobicContact CG-CE1 4.41Å; L441-F570 HydrophobicContact CG-CE2 4.33Å; L441-F570 HydrophobicContact CG-CG 3.51Å; L441-F570 WeakPolarHBondContact O-CZ 3.23Å; L441-A573 HydrophobicContact CD1-CB 3.96Å; L441-F584 HydrophobicContact CD1-CE1 3.9Å
442	M	98.1	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-46.5	179.6	-68.6	-176.9	-83.4	0	0	112	F428 V434 H438 A439 L440 T445 Q446 L459 L461 L491 I529	F428-M442 HydrophobicContact CB-CG 3.99Å; F428-M442 HydrophobicContact CB-SD 3.73Å; F428-M442 HydrophobicContact CD1-CE 4.07Å; F428-M442 HydrophobicContact CD1-CG 4.35Å; F428-M442 HydrophobicContact CD1-SD 3.75Å; F428-M442 HydrophobicContact CD2-CG 3.7Å; F428-M442 HydrophobicContact CD2-SD 4.18Å; F428-M442 HydrophobicContact CE1-CE 4.23Å; F428-M442 HydrophobicContact CE1-SD 4.45Å; F428-M442 HydrophobicContact CE2-CG 4.3Å; F428-M442 HydrophobicContact CG-CE 4.41Å; F428-M442 HydrophobicContact CG-CG 3.75Å; F428-M442 HydrophobicContact CG-SD 3.61Å; V434-M442 HydrophobicContact CG1-CE 4.11Å; H438-M442 HydrophobicContact CB-CE 4.08Å; H438-M442 WeakPolarHBondContact O-CE 3.32Å; H438-M442 PolarHBondContact O-N 3.11Å; H438-M442 VanDerWaalsContact O-N 3.14Å; A439-M442 PolarHBondContact O-N 3.27Å; A439-M442 VanDerWaalsContact O-N 3.14Å; L440-M442 VanDerWaalsContact C-N 3.35Å; L440-M442 PolarHBondContact O-N 2.88Å; M442-T445 PolarHBondContact O-N 2.9Å; M442-Q446 PolarHBondContact O-N 3.01Å; M442-L459 HydrophobicContact CB-CD2 4.27Å; M442-L459 HydrophobicContact CG-CD1 4.11Å; M442-L459 HydrophobicContact CG-CD2 4.34Å; M442-L459 HydrophobicContact SD-CD1 3.86Å; M442-L459 HydrophobicContact SD-CD2 3.61Å; M442-L459 HydrophobicContact SD-CG 4.38Å; M442-L461 HydrophobicContact CE-CD1 4.22Å; M442-L461 HydrophobicContact SD-CD1 3.84Å; M442-L491 HydrophobicContact CB-CD2 4.01Å; M442-L491 HydrophobicContact CE-CD1 3.67Å; M442-L491 HydrophobicContact CE-CD2 4.07Å; M442-L491 HydrophobicContact CE-CG 4.43Å; M442-L491 HydrophobicContact SD-CD1 4.02Å; M442-L491 HydrophobicContact SD-CD2 4.29Å; M442-I529 HydrophobicContact CG-CD1 4.12Å
443	Q	97.4	Very high	96.6	Very high	86 Å²	86	46.1 Å²	46.1	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-44.6	177.9	-70.8	168.6	-13.4	0	0	111.8	A439 T445 Q446 K447 V490	A439-Q443 WeakPolarHBondContact O-CB 3.45Å; A439-Q443 WeakPolarHBondContact O-CG 3.27Å; A439-Q443 PolarHBondContact O-N 3.01Å; Q443-T445 VanDerWaalsContact C-N 3.33Å; Q443-T445 PolarHBondContact O-N 3.32Å; Q443-Q446 PolarHBondContact O-N 3.13Å; Q443-K447 WeakPolarHBondContact O-CB 3.12Å; Q443-K447 PolarHBondContact O-N 2.86Å; Q443-V490 PolarHBondContact NE2-O 2.96Å
444	D	97.4	Very high	96.7	Very high	34 Å²	34	49.4 Å²	49.4	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-36.6	178.3	-168.5	70	0	0	0	111.4	L440 K447 R448 F570 F584	L440-D444 WeakPolarHBondContact O-CB 3.5Å; L440-D444 PolarHBondContact O-N 2.69Å; D444-K447 PolarHBondContact O-N 2.79Å; D444-R448 VanDerWaalsContact O-CG 3.29Å; D444-R448 WeakPolarHBondContact O-CG 3.34Å; D444-R448 PolarHBondContact O-N 2.74Å; D444-R448 IonicContact OD2-CZ 3.87Å; D444-R448 IonicContact OD2-NE 2.85Å; D444-R448 PolarHBondContact OD2-NE 3.14Å; D444-R448 IonicContact OD2-NH2 3.21Å; D444-R448 PolarHBondContact OD2-NH2 3.06Å; D444-F570 HydrophobicContact CB-CE1 4.01Å; D444-F570 HydrophobicContact CB-CZ 4.3Å; D444-F570 WeakPolarHBondContact OD2-CE1 3.4Å; D444-F584 HydrophobicContact CB-CZ 4.29Å
445	T	97.9	Very high	96.8	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-49.4	172	-57.9	0	0	0	0	111.2	F426 L441 M442 Q443 K447 R448 L449 I529 V568 F570	F426-T445 HydrophobicContact CB-CG2 4.03Å; F426-T445 HydrophobicContact CD2-CG2 3.8Å; F426-T445 HydrophobicContact CE2-CG2 4.42Å; F426-T445 HydrophobicContact CG-CG2 3.99Å; L441-T445 WeakPolarHBondContact O-CB 3.48Å; L441-T445 PolarHBondContact O-N 2.78Å; L441-T445 PolarHBondContact O-OG1 3.43Å; M442-T445 PolarHBondContact O-N 2.9Å; Q443-T445 VanDerWaalsContact C-N 3.33Å; Q443-T445 PolarHBondContact O-N 3.32Å; T445-K447 VanDerWaalsContact C-N 3.29Å; T445-K447 PolarHBondContact O-N 3.47Å; T445-R448 PolarHBondContact O-N 2.96Å; T445-L449 HydrophobicContact CG2-CD1 4.2Å; T445-L449 HydrophobicContact CG2-CG 4.47Å; T445-L449 WeakPolarHBondContact O-CG 3.41Å; T445-L449 PolarHBondContact O-N 2.78Å; T445-I529 HydrophobicContact CG2-CD1 4.01Å; T445-I529 HydrophobicContact CG2-CG1 4.05Å; T445-I529 VanDerWaalsContact OG1-CD1 3.29Å; T445-I529 WeakPolarHBondContact OG1-CD1 3.1Å; T445-I529 WeakPolarHBondContact OG1-CG1 3.16Å; T445-V568 HydrophobicContact CG2-CG1 4.41Å; T445-V568 HydrophobicContact CG2-CG2 4.45Å; T445-F570 WeakPolarHBondContact OG1-CE2 3.39Å; T445-F570 WeakPolarHBondContact OG1-CZ 3.46Å
446	Q	97.6	Very high	97	Very high	52 Å²	52	63.5 Å²	63.5	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-46	177.4	-170.3	174.1	8.8	0	0	111.1	F426 M442 Q443 L449 V450 P457 S495	F426-Q446 HydrophobicContact CE1-CB 4.32Å; F426-Q446 HydrophobicContact CE1-CG 4.38Å; F426-Q446 HydrophobicContact CE2-CB 4.42Å; F426-Q446 HydrophobicContact CZ-CB 3.75Å; F426-Q446 HydrophobicContact CZ-CG 4.11Å; M442-Q446 PolarHBondContact O-N 3.01Å; Q443-Q446 PolarHBondContact O-N 3.13Å; Q446-L449 PolarHBondContact O-N 3.22Å; Q446-V450 WeakPolarHBondContact O-CG2 3.17Å; Q446-V450 PolarHBondContact O-N 3.01Å; Q446-P457 HydrophobicContact CG-CG 4.01Å; Q446-S495 PolarHBondContact NE2-OG 3.02Å
447	K	97.4	Very high	97.2	Very high	121 Å²	121	62.4 Å²	62.4	53%	0.526	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-49.5	176.6	-176.9	-178.6	172.7	-174	0	112	Q443 D444 T445 L449 V450 E451	Q443-K447 WeakPolarHBondContact O-CB 3.12Å; Q443-K447 PolarHBondContact O-N 2.86Å; D444-K447 PolarHBondContact O-N 2.79Å; T445-K447 VanDerWaalsContact C-N 3.29Å; T445-K447 PolarHBondContact O-N 3.47Å; K447-L449 VanDerWaalsContact C-N 3.27Å; K447-L449 PolarHBondContact O-N 2.71Å; K447-V450 PolarHBondContact O-N 3.36Å; K447-E451 WeakPolarHBondContact CE-OE1 3.46Å; K447-E451 WeakPolarHBondContact O-CG 3.5Å; K447-E451 PolarHBondContact O-N 3.29Å
448	R	97.6	Very high	97.4	Very high	96 Å²	96	62.5 Å²	62.5	36%	0.362	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-36.7	177.5	-71	175.7	-165.9	-168.8	6.9	112.4	D444 T445 E451 R452	D444-R448 VanDerWaalsContact O-CG 3.29Å; D444-R448 WeakPolarHBondContact O-CG 3.34Å; D444-R448 PolarHBondContact O-N 2.74Å; D444-R448 IonicContact OD2-CZ 3.87Å; D444-R448 IonicContact OD2-NE 2.85Å; D444-R448 PolarHBondContact OD2-NE 3.14Å; D444-R448 IonicContact OD2-NH2 3.21Å; D444-R448 PolarHBondContact OD2-NH2 3.06Å; T445-R448 PolarHBondContact O-N 2.96Å; R448-E451 PolarHBondContact O-N 2.72Å; R448-R452 WeakPolarHBondContact O-CB 3.24Å; R448-R452 VanDerWaalsContact O-CG 3.27Å; R448-R452 WeakPolarHBondContact O-CG 3.32Å; R448-R452 PolarHBondContact O-N 3.45Å
449	L	97.8	Very high	97.6	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-42.3	177.3	-67.2	177.2	0	0	0	111.7	A424 F426 T445 Q446 K447 E451 R452 G453 Y454 P457 F527	A424-L449 HydrophobicContact CB-CD1 4.36Å; F426-L449 HydrophobicContact CB-CD1 4.04Å; F426-L449 HydrophobicContact CD1-CD1 3.55Å; F426-L449 HydrophobicContact CE1-CD1 4.24Å; F426-L449 HydrophobicContact CG-CD1 3.98Å; T445-L449 HydrophobicContact CG2-CD1 4.2Å; T445-L449 HydrophobicContact CG2-CG 4.47Å; T445-L449 WeakPolarHBondContact O-CG 3.41Å; T445-L449 PolarHBondContact O-N 2.78Å; Q446-L449 PolarHBondContact O-N 3.22Å; K447-L449 VanDerWaalsContact C-N 3.27Å; K447-L449 PolarHBondContact O-N 2.71Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 2.73Å; L449-R452 PolarHBondContact O-N 2.89Å; L449-R452 VanDerWaalsContact O-N 3.17Å; L449-G453 PolarHBondContact O-N 3.03Å; L449-Y454 HydrophobicContact CB-CD2 3.99Å; L449-Y454 HydrophobicContact CD2-CD2 3.84Å; L449-Y454 HydrophobicContact CD2-CE2 3.92Å; L449-Y454 HydrophobicContact CG-CD2 4.5Å; L449-Y454 WeakPolarHBondContact O-CB 3.42Å; L449-Y454 WeakPolarHBondContact O-CD2 3.49Å; L449-Y454 PolarHBondContact O-N 2.86Å; L449-Y454 VanDerWaalsContact O-N 3.1Å; L449-P457 HydrophobicContact CB-CB 4.06Å; L449-P457 HydrophobicContact CB-CG 4.47Å; L449-P457 HydrophobicContact CD1-CB 3.96Å; L449-F527 HydrophobicContact CD1-CD2 3.98Å; L449-F527 HydrophobicContact CD1-CE2 4.31Å; L449-F527 HydrophobicContact CD1-CG 4.41Å; L449-F527 HydrophobicContact CD2-CD1 3.88Å; L449-F527 HydrophobicContact CD2-CD2 3.69Å; L449-F527 HydrophobicContact CD2-CE1 3.6Å; L449-F527 HydrophobicContact CD2-CE2 3.4Å; L449-F527 HydrophobicContact CD2-CG 3.94Å; L449-F527 HydrophobicContact CD2-CZ 3.36Å
450	V	97.8	Very high	97.7	Very high	82 Å²	82	60.6 Å²	60.6	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-43.4	173.6	174.4	0	0	0	0	111.1	Q446 K447 R452 G453 Y454 P457	Q446-V450 WeakPolarHBondContact O-CG2 3.17Å; Q446-V450 PolarHBondContact O-N 3.01Å; K447-V450 PolarHBondContact O-N 3.36Å; V450-R452 VanDerWaalsContact C-N 3.25Å; V450-R452 PolarHBondContact O-N 2.95Å; V450-G453 WeakPolarHBondContact O-CA 3.46Å; V450-G453 PolarHBondContact O-N 3.09Å; V450-Y454 WeakPolarHBondContact CA-O 3.38Å; V450-P457 HydrophobicContact CG2-CG 3.9Å
451	E	97.8	Very high	97.8	Very high	136 Å²	136	59 Å²	59	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-62	-31.6	175.5	-72.2	172	176.5	0	0	112.9	K447 R448 L449 G453	K447-E451 WeakPolarHBondContact CE-OE1 3.46Å; K447-E451 WeakPolarHBondContact O-CG 3.5Å; K447-E451 PolarHBondContact O-N 3.29Å; R448-E451 PolarHBondContact O-N 2.72Å; L449-E451 VanDerWaalsContact C-N 3.33Å; L449-E451 PolarHBondContact O-N 2.73Å; E451-G453 PolarHBondContact O-N 2.83Å
452	R	97.1	Very high	97.9	Very high	139 Å²	139	58.4 Å²	58.4	53%	0.525	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.2	172.8	-73.3	176.8	-179.4	-161.9	6.4	113.8	R448 L449 V450 Y454 E566	R448-R452 WeakPolarHBondContact O-CB 3.24Å; R448-R452 VanDerWaalsContact O-CG 3.27Å; R448-R452 WeakPolarHBondContact O-CG 3.32Å; R448-R452 PolarHBondContact O-N 3.45Å; L449-R452 PolarHBondContact O-N 2.89Å; L449-R452 VanDerWaalsContact O-N 3.17Å; V450-R452 VanDerWaalsContact C-N 3.25Å; V450-R452 PolarHBondContact O-N 2.95Å; R452-Y454 HydrophobicContact CB-CD2 4.2Å; R452-Y454 HydrophobicContact CB-CE2 4.29Å; R452-E566 IonicContact CZ-OE1 3.9Å; R452-E566 VanDerWaalsContact CZ-OE1 3.3Å; R452-E566 IonicContact CZ-OE2 3.76Å; R452-E566 IonicContact NH1-OE1 3.83Å; R452-E566 PolarHBondContact NH1-OE1 2.88Å; R452-E566 IonicContact NH1-OE2 3.61Å; R452-E566 PolarHBondContact NH1-OE2 2.96Å; R452-E566 IonicContact NH2-OE1 3.82Å; R452-E566 PolarHBondContact NH2-OE1 2.92Å; R452-E566 IonicContact NH2-OE2 3.68Å
453	G	97.4	Very high	98	Very high	52 Å²	52	58.4 Å²	58.4	54%	0.536	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	3.3	174.8	0	0	0	0	0	115.7	L449 V450 E451	L449-G453 PolarHBondContact O-N 3.03Å; V450-G453 WeakPolarHBondContact O-CA 3.46Å; V450-G453 PolarHBondContact O-N 3.09Å; E451-G453 PolarHBondContact O-N 2.83Å
454	Y	97.7	Very high	98	Very high	77 Å²	77	54.3 Å²	54.3	30%	0.302	25%	0.246	S	C	.	.			trans	-68.2	133.2	169.7	-63.9	-76.5	0	0	0	109.7	D423 A424 L449 V450 R452 F527	D423-Y454 HydrophobicContact CB-CD1 4.47Å; D423-Y454 WeakPolarHBondContact O-CD1 3.5Å; D423-Y454 WeakPolarHBondContact O-CE1 3.18Å; A424-Y454 HydrophobicContact CB-CD1 3.49Å; A424-Y454 VanDerWaalsContact CB-CD1 3.49Å; A424-Y454 HydrophobicContact CB-CD2 4.21Å; A424-Y454 HydrophobicContact CB-CE1 3.82Å; A424-Y454 HydrophobicContact CB-CG 3.71Å; L449-Y454 HydrophobicContact CB-CD2 3.99Å; L449-Y454 HydrophobicContact CD2-CD2 3.84Å; L449-Y454 HydrophobicContact CD2-CE2 3.92Å; L449-Y454 HydrophobicContact CG-CD2 4.5Å; L449-Y454 WeakPolarHBondContact O-CB 3.42Å; L449-Y454 WeakPolarHBondContact O-CD2 3.49Å; L449-Y454 PolarHBondContact O-N 2.86Å; L449-Y454 VanDerWaalsContact O-N 3.1Å; V450-Y454 WeakPolarHBondContact CA-O 3.38Å; R452-Y454 HydrophobicContact CB-CD2 4.2Å; R452-Y454 HydrophobicContact CB-CE2 4.29Å; Y454-F527 HydrophobicContact CE2-CE2 4.05Å; Y454-F527 AromaticContact CE2-CZ 3.71Å; Y454-F527 HydrophobicContact CE2-CZ 3.71Å; Y454-F527 AromaticContact CZ-CZ 3.87Å
455	R	97.6	Very high	98.1	Very high	211 Å²	211	53.2 Å²	53.2	80%	0.796	24%	0.243	S	C	*	.	S	Bend	trans	-97.9	-28.7	-173.6	-61	-174.6	-179.8	-167.9	-0.3	112.7	D423 P457	D423-R455 PolarHBondContact OD1-N 3.48Å; D423-R455 WeakPolarHBondContact OD2-CB 3.49Å; D423-R455 PolarHBondContact OD2-N 3.09Å; R455-P457 VanDerWaalsContact C-CD 3.46Å
456	R	97.6	Very high	98.1	Very high	122 Å²	122	53.4 Å²	53.4	46%	0.46	25%	0.246	S	C	.	.	S	Bend	trans	-135.5	61.8	-178.1	-65.2	-178.2	-60.2	-78.3	-9.9	110.2	N421 A422 D423 V458	N421-R456 VanDerWaalsContact O-CZ 3.26Å; N421-R456 PolarHBondContact O-NE 3.18Å; N421-R456 PolarHBondContact O-NH2 3.2Å; A422-R456 WeakPolarHBondContact CA-O 3.13Å; D423-R456 PolarHBondContact N-O 2.8Å; D423-R456 WeakPolarHBondContact OD1-CA 3.44Å; D423-R456 PolarHBondContact OD1-N 3.23Å; D423-R456 PolarHBondContact OD2-N 2.75Å; R456-V458 PolarHBondContact O-N 3.44Å
457	P	98.3	Very high	98.1	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.045	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.7	172.5	30.4	-34.5	0	0	0	109.6	A424 F426 Q446 L449 V450 R455	A424-P457 HydrophobicContact CB-CB 4.43Å; A424-P457 CarbonylContact O-C 3.57Å; A424-P457 WeakPolarHBondContact O-CA 3.37Å; F426-P457 HydrophobicContact CD1-CB 4.24Å; F426-P457 HydrophobicContact CE1-CB 3.92Å; Q446-P457 HydrophobicContact CG-CG 4.01Å; L449-P457 HydrophobicContact CB-CB 4.06Å; L449-P457 HydrophobicContact CB-CG 4.47Å; L449-P457 HydrophobicContact CD1-CB 3.96Å; V450-P457 HydrophobicContact CG2-CG 3.9Å; R455-P457 VanDerWaalsContact C-CD 3.46Å
458	V	98.8	Very high	98.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	179.5	174.2	0	0	0	0	110.2	F417 M420 A422 A424 V425 F426 R456 S495 I497	F417-V458 HydrophobicContact CD1-CG1 4.3Å; F417-V458 HydrophobicContact CE1-CG1 4.47Å; M420-V458 HydrophobicContact CB-CG2 4.33Å; M420-V458 HydrophobicContact CE-CG1 4.02Å; M420-V458 HydrophobicContact CE-CG2 3.88Å; M420-V458 HydrophobicContact SD-CG1 3.99Å; M420-V458 HydrophobicContact SD-CG2 4.31Å; A422-V458 HydrophobicContact CB-CB 4.06Å; A422-V458 HydrophobicContact CB-CG2 3.59Å; A424-V458 PolarHBondContact O-N 2.69Å; V425-V458 WeakPolarHBondContact CA-O 3.4Å; F426-V458 VanDerWaalsContact CD1-O 3.25Å; F426-V458 WeakPolarHBondContact CD1-O 3.4Å; F426-V458 VanDerWaalsContact CE1-C 3.41Å; F426-V458 PolarHBondContact N-O 3.19Å; R456-V458 PolarHBondContact O-N 3.44Å; V458-S495 WeakPolarHBondContact CA-O 3.23Å; V458-I497 HydrophobicContact CG1-CD1 4.09Å; V458-I497 HydrophobicContact CG1-CG1 4.3Å
459	L	98.9	Very high	98.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.3	172.1	172.1	59.3	0	0	0	109.6	F426 F428 M442 L461 L491 S495 T496 I497	F426-L459 HydrophobicContact CD2-CB 4.39Å; F426-L459 HydrophobicContact CD2-CD1 3.77Å; F426-L459 HydrophobicContact CE1-CB 4.13Å; F426-L459 HydrophobicContact CE2-CB 3.68Å; F426-L459 HydrophobicContact CE2-CD1 3.54Å; F426-L459 HydrophobicContact CE2-CG 4.09Å; F426-L459 HydrophobicContact CZ-CB 3.52Å; F426-L459 HydrophobicContact CZ-CD1 4.31Å; F426-L459 HydrophobicContact CZ-CG 4.41Å; F428-L459 HydrophobicContact CB-CD1 4.05Å; M442-L459 HydrophobicContact CB-CD2 4.27Å; M442-L459 HydrophobicContact CG-CD1 4.11Å; M442-L459 HydrophobicContact CG-CD2 4.34Å; M442-L459 HydrophobicContact SD-CD1 3.86Å; M442-L459 HydrophobicContact SD-CD2 3.61Å; M442-L459 HydrophobicContact SD-CG 4.38Å; L459-L461 HydrophobicContact CD2-CB 4.36Å; L459-L461 HydrophobicContact CG-CB 4.3Å; L459-L491 HydrophobicContact CD2-CD1 4.09Å; L459-L491 HydrophobicContact CD2-CD2 4.18Å; L459-S495 PolarHBondContact N-O 2.86Å; L459-T496 HydrophobicContact CB-CG2 4.23Å; L459-T496 HydrophobicContact CD2-CG2 3.86Å; L459-T496 HydrophobicContact CG-CG2 4.01Å; L459-T496 CarbonylContact O-C 3.58Å; L459-T496 WeakPolarHBondContact O-CA 2.8Å; L459-I497 PolarHBondContact O-N 3.23Å
460	L	98.9	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	94.2	161.5	177.7	60.3	0	0	0	108.7	L413 F417 V425 F426 A427 F428 H462 I497 A499 R520	L413-L460 HydrophobicContact CD2-CD1 3.77Å; F417-L460 HydrophobicContact CE1-CB 4.45Å; F417-L460 HydrophobicContact CE1-CD1 4.49Å; F417-L460 HydrophobicContact CZ-CB 4.27Å; F417-L460 HydrophobicContact CZ-CD1 4.14Å; F417-L460 HydrophobicContact CZ-CD2 3.96Å; F417-L460 HydrophobicContact CZ-CG 4.33Å; V425-L460 HydrophobicContact CG1-CB 4.23Å; F426-L460 PolarHBondContact O-N 2.89Å; A427-L460 HydrophobicContact CB-CB 4.4Å; A427-L460 HydrophobicContact CB-CD2 4.3Å; F428-L460 PolarHBondContact N-O 2.75Å; L460-H462 HydrophobicContact CD1-CB 4.47Å; L460-H462 WeakPolarHBondContact CD2-ND1 3.49Å; L460-H462 HydrophobicContact CG-CB 4.03Å; L460-H462 PolarHBondContact O-N 3.23Å; L460-I497 HydrophobicContact CD1-CB 4.42Å; L460-I497 HydrophobicContact CD1-CG2 4.02Å; L460-A499 HydrophobicContact CD1-CB 4.22Å; L460-R520 HydrophobicContact CD2-CG 4.46Å
461	L	98.8	Very high	97.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.6	172.3	-179.4	65.4	0	0	0	108	F428 L430 V434 M442 L459 P463 H482 L491 T496 I497 V498 A499	F428-L461 HydrophobicContact CD1-CD1 4.16Å; L430-L461 HydrophobicContact CD1-CD1 3.98Å; L430-L461 HydrophobicContact CD2-CD1 3.67Å; L430-L461 HydrophobicContact CD2-CG 4.3Å; V434-L461 HydrophobicContact CG2-CD1 4.32Å; M442-L461 HydrophobicContact CE-CD1 4.22Å; M442-L461 HydrophobicContact SD-CD1 3.84Å; L459-L461 HydrophobicContact CD2-CB 4.36Å; L459-L461 HydrophobicContact CG-CB 4.3Å; L461-P463 VanDerWaalsContact C-CD 3.47Å; L461-P463 WeakPolarHBondContact O-CD 3Å; L461-H482 HydrophobicContact CD2-CB 4.32Å; L461-L491 HydrophobicContact CD2-CD1 4.16Å; L461-T496 HydrophobicContact CB-CG2 3.95Å; L461-I497 PolarHBondContact N-O 3.07Å; L461-V498 HydrophobicContact CB-CG2 4.5Å; L461-V498 HydrophobicContact CD2-CG2 4.23Å; L461-V498 WeakPolarHBondContact O-CA 3.35Å; L461-A499 PolarHBondContact O-N 3.16Å
462	H	98.8	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	69	-158.4	-146.1	160.6	0	0	0	113.2	W284 F428 Q429 L430 L460 L464 A499 F501 R520	W284-H462 AromaticContact CH2-CE1 3.57Å; W284-H462 AromaticContact CH2-NE2 3.87Å; F428-H462 PolarHBondContact O-N 2.81Å; Q429-H462 PolarHBondContact OE1-O 3.32Å; L430-H462 VanDerWaalsContact CD2-C 3.5Å; L460-H462 HydrophobicContact CD1-CB 4.47Å; L460-H462 WeakPolarHBondContact CD2-ND1 3.49Å; L460-H462 HydrophobicContact CG-CB 4.03Å; L460-H462 PolarHBondContact O-N 3.23Å; H462-L464 PolarHBondContact O-N 3.45Å; H462-A499 WeakPolarHBondContact CA-O 3.38Å; H462-A499 PolarHBondContact CD2-O 3.09Å; H462-F501 PolarHBondContact CD2-N 3.03Å; H462-R520 PolarHBondContact CE1-NE 3.2Å; H462-R520 PolarHBondContact ND1-NE 2.94Å; H462-R520 PolarHBondContact O-NH2 3.39Å
463	P	98.7	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	134.7	177.4	23.3	-36.1	0	0	0	112.2	L430 L461 M479 A499 I500 F501	L430-P463 HydrophobicContact CD2-CB 4.25Å; L430-P463 HydrophobicContact CG-CB 4.26Å; L430-P463 CarbonylContact O-C 3.26Å; L430-P463 VanDerWaalsContact O-CA 3.3Å; L430-P463 WeakPolarHBondContact O-CA 3.33Å; L461-P463 VanDerWaalsContact C-CD 3.47Å; L461-P463 WeakPolarHBondContact O-CD 3Å; P463-M479 HydrophobicContact CB-SD 4.34Å; P463-M479 HydrophobicContact CG-SD 3.55Å; P463-M479 VanDerWaalsContact CG-SD 3.55Å; P463-A499 WeakPolarHBondContact CD-O 3.46Å; P463-I500 HydrophobicContact CG-CG1 4.45Å; P463-I500 WeakPolarHBondContact O-CA 3.41Å; P463-F501 PolarHBondContact O-N 3.27Å
464	L	98.7	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-71	135	169.8	-175.9	150.6	0	0	0	110	L430 H462 T468 R478 F501 S503 M505	L430-L464 PolarHBondContact O-N 2.92Å; H462-L464 PolarHBondContact O-N 3.45Å; L464-T468 HydrophobicContact CD2-CG2 3.82Å; L464-R478 PolarHBondContact O-NH1 2.93Å; L464-R478 PolarHBondContact O-NH2 3.25Å; L464-F501 HydrophobicContact CD1-CD1 4.17Å; L464-F501 HydrophobicContact CD1-CE1 4.46Å; L464-F501 HydrophobicContact CG-CD1 4.33Å; L464-S503 WeakPolarHBondContact CD1-O 3.47Å; L464-S503 VanDerWaalsContact CD2-O 3.23Å; L464-S503 WeakPolarHBondContact CD2-O 3.49Å; L464-S503 WeakPolarHBondContact CG-O 3.3Å; L464-M505 HydrophobicContact CD1-CB 3.93Å; L464-M505 HydrophobicContact CD1-CG 4.49Å; L464-M505 HydrophobicContact CD1-SD 3.78Å; L464-M505 HydrophobicContact CD2-CB 3.81Å
465	G	98.2	Very high	97.1	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	18%	0.177	C	C	.	.			trans	-128.5	3.3	-176.7	0	0	0	0	0	116.1	F501	G465-F501 PolarHBondContact N-O 3.2Å
466	G	98.3	Very high	97.1	Very high	7 Å²	7	30 Å²	30	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	-71.3	-164.8	164.6	0	0	0	0	0	112.1	T468 P502 S503	G466-T468 PolarHBondContact O-N 3.09Å; G466-P502 WeakPolarHBondContact CA-O 3.48Å; G466-S503 VanDerWaalsContact CA-O 3.3Å; G466-S503 WeakPolarHBondContact CA-O 3.16Å; G466-S503 PolarHBondContact N-O 3.24Å
467	W	98.7	Very high	97.1	Very high	55 Å²	55	26.6 Å²	26.6	21%	0.208	15%	0.145	C	C	.	.			trans	-55.4	137.6	177	179.3	93.5	0	0	0	111.9	L272 P374 Y375 M378 K469 P504 M505 Y507	L272-W467 HydrophobicContact CD1-CB 3.75Å; L272-W467 HydrophobicContact CD1-CG 4.23Å; P374-W467 HydrophobicContact CB-CH2 3.83Å; P374-W467 HydrophobicContact CB-CZ2 4.33Å; P374-W467 HydrophobicContact CG-CH2 4.18Å; Y375-W467 AromaticContact CD2-CE3 3.78Å; Y375-W467 HydrophobicContact CD2-CE3 3.78Å; Y375-W467 AromaticContact CD2-CZ3 3.63Å; Y375-W467 HydrophobicContact CD2-CZ3 3.63Å; Y375-W467 HydrophobicContact CE2-CE3 4.28Å; Y375-W467 HydrophobicContact CG-CZ3 4.37Å; M378-W467 HydrophobicContact CE-CD2 3.51Å; M378-W467 VanDerWaalsContact CE-CE2 3.42Å; M378-W467 HydrophobicContact CE-CE3 3.64Å; M378-W467 HydrophobicContact CE-CG 4.22Å; M378-W467 HydrophobicContact CE-CH2 3.63Å; M378-W467 HydrophobicContact CE-CZ2 3.5Å; M378-W467 HydrophobicContact CE-CZ3 3.7Å; M378-W467 HydrophobicContact SD-CD2 4.24Å; M378-W467 HydrophobicContact SD-CZ2 4.02Å; W467-K469 HydrophobicContact CH2-CB 4.14Å; W467-P504 HydrophobicContact CB-CB 4.25Å; W467-M505 VanDerWaalsContact CE3-O 3.31Å; W467-M505 VanDerWaalsContact CZ3-O 3.26Å; W467-M505 WeakPolarHBondContact CZ3-O 3.45Å; W467-M505 WeakPolarHBondContact O-CB 3.29Å; W467-M505 PolarHBondContact O-N 2.9Å; W467-Y507 HydrophobicContact CH2-CE2 4.32Å; W467-Y507 HydrophobicContact CZ3-CD2 4.19Å; W467-Y507 AromaticContact CZ3-CE2 3.74Å; W467-Y507 HydrophobicContact CZ3-CE2 3.74Å
468	T	98.3	Very high	97.1	Very high	27 Å²	27	26.2 Å²	26.2	17%	0.166	14%	0.143	C	C	.	.			trans	-134.6	154.1	172.5	53.3	0	0	0	0	108.5	L464 G466 M505 Y507	L464-T468 HydrophobicContact CD2-CG2 3.82Å; G466-T468 PolarHBondContact O-N 3.09Å; T468-M505 HydrophobicContact CG2-CB 4.22Å; T468-Y507 WeakPolarHBondContact CA-OH 3.49Å; T468-Y507 WeakPolarHBondContact CB-OH 3.43Å
469	K	95.9	Very high	97.1	Very high	22 Å²	22	26.6 Å²	26.6	10%	0.096	15%	0.145	C	C	.	.			trans	-64.7	155.3	178.5	71.9	-168.9	175.8	102	0	112.1	P374 W467 D471 D472 Y507 M537	P374-K469 HydrophobicContact CB-CB 4.14Å; P374-K469 HydrophobicContact CG-CB 3.84Å; P374-K469 HydrophobicContact CG-CD 4.23Å; W467-K469 HydrophobicContact CH2-CB 4.14Å; K469-D471 VanDerWaalsContact C-N 3.28Å; K469-D471 WeakPolarHBondContact CD-OD1 3.46Å; K469-D471 WeakPolarHBondContact CE-OD1 3.26Å; K469-D471 WeakPolarHBondContact CG-OD1 3.27Å; K469-D471 VanDerWaalsContact NZ-CG 3.28Å; K469-D471 IonicContact NZ-OD1 3.82Å; K469-D471 PolarHBondContact NZ-OD1 3.47Å; K469-D471 IonicContact NZ-OD2 3.74Å; K469-D471 PolarHBondContact NZ-OD2 3.23Å; K469-D471 VanDerWaalsContact NZ-OD2 3.11Å; K469-D471 PolarHBondContact O-N 3.47Å; K469-D471 VanDerWaalsContact O-N 3.14Å; K469-D472 VanDerWaalsContact CE-OD1 3.31Å; K469-D472 WeakPolarHBondContact CE-OD1 3.25Å; K469-D472 IonicContact NZ-OD1 3.6Å; K469-D472 PolarHBondContact O-N 3.43Å; K469-Y507 HydrophobicContact CB-CE2 3.98Å; K469-Y507 HydrophobicContact CD-CD1 4.22Å; K469-Y507 HydrophobicContact CD-CE1 3.68Å; K469-Y507 HydrophobicContact CD-CE2 4.11Å; K469-Y507 HydrophobicContact CG-CE1 4.11Å; K469-Y507 HydrophobicContact CG-CE2 4.11Å; K469-Y507 WeakPolarHBondContact CG-OH 3.48Å; K469-Y507 PolarHBondContact N-OH 3.33Å; K469-M537 HydrophobicContact CD-CE 4.31Å
470	D	92.6	Very high	97.1	Very high	158 Å²	158	31.9 Å²	31.9	85%	0.845	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-31	-166.9	-59.5	-22.6	0	0	0	115.1
471	D	89.2	Confident	97	Very high	77 Å²	77	31.9 Å²	31.9	41%	0.412	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.5	-178.3	76.2	-65.2	0	0	0	113.8	K469 R602	K469-D471 VanDerWaalsContact C-N 3.28Å; K469-D471 WeakPolarHBondContact CD-OD1 3.46Å; K469-D471 WeakPolarHBondContact CE-OD1 3.26Å; K469-D471 WeakPolarHBondContact CG-OD1 3.27Å; K469-D471 VanDerWaalsContact NZ-CG 3.28Å; K469-D471 IonicContact NZ-OD1 3.82Å; K469-D471 PolarHBondContact NZ-OD1 3.47Å; K469-D471 IonicContact NZ-OD2 3.74Å; K469-D471 PolarHBondContact NZ-OD2 3.23Å; K469-D471 VanDerWaalsContact NZ-OD2 3.11Å; K469-D471 PolarHBondContact O-N 3.47Å; K469-D471 VanDerWaalsContact O-N 3.14Å; D471-R602 PolarHBondContact O-NH1 2.71Å; D471-R602 PolarHBondContact O-NH2 2.92Å; D471-R602 IonicContact OD2-CZ 3.06Å; D471-R602 IonicContact OD2-NH1 2.65Å; D471-R602 PolarHBondContact OD2-NH1 2.83Å; D471-R602 IonicContact OD2-NH2 3.73Å; D471-R602 PolarHBondContact OD2-NH2 3.46Å
472	D	93.6	Very high	97	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.032	17%	0.168	C	C	.	.	S	Bend	trans	-74.6	153.2	173.3	-78.8	-2.1	0	0	0	111.2	R431 K469 P474 Y507	R431-D472 IonicContact NE-OD2 3.99Å; K469-D472 VanDerWaalsContact CE-OD1 3.31Å; K469-D472 WeakPolarHBondContact CE-OD1 3.25Å; K469-D472 IonicContact NZ-OD1 3.6Å; K469-D472 PolarHBondContact O-N 3.43Å; D472-P474 WeakPolarHBondContact O-CD 3.34Å; D472-Y507 PolarHBondContact OD2-OH 2.88Å
473	V	94.8	Very high	96.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-67.3	126.2	177.3	-177.6	0	0	0	0	109.3	P433 W477 R478 Y627 Y628	P433-V473 HydrophobicContact CG-CB 4.22Å; P433-V473 HydrophobicContact CG-CG2 3.81Å; V473-W477 HydrophobicContact CG1-CB 3.71Å; V473-R478 HydrophobicContact CB-CG 3.91Å; V473-R478 HydrophobicContact CG1-CG 3.85Å; V473-R478 WeakPolarHBondContact O-CD 3.49Å; V473-R478 PolarHBondContact O-NE 3.45Å; V473-Y627 HydrophobicContact CB-CE1 4.33Å; V473-Y627 HydrophobicContact CG1-CD1 4.04Å; V473-Y627 HydrophobicContact CG1-CE1 3.99Å; V473-Y627 HydrophobicContact CG2-CD1 4.39Å; V473-Y627 HydrophobicContact CG2-CE1 4Å; V473-Y628 VanDerWaalsContact CG2-OH 3.3Å; V473-Y628 WeakPolarHBondContact CG2-OH 3.05Å
474	P	96.7	Very high	96.9	Very high	51 Å²	51	34.6 Å²	34.6	33%	0.331	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-58	149.2	-178.7	-25.4	32.7	0	0	0	112.7	D472 W477 R478 Y627	D472-P474 WeakPolarHBondContact O-CD 3.34Å; P474-W477 PolarHBondContact O-N 3.48Å; P474-W477 VanDerWaalsContact O-N 3.1Å; P474-R478 PolarHBondContact O-N 3.41Å; P474-R478 VanDerWaalsContact O-N 3.08Å; P474-Y627 WeakPolarHBondContact CD-OH 3.33Å; P474-Y627 HydrophobicContact CG-CE2 4.05Å
475	L	98	Very high	96.9	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-51.8	-47.2	-176.3	176.5	67	0	0	0	114	L403 W477 R478 M479 I500	L403-L475 HydrophobicContact CD1-CD2 4Å; L403-L475 HydrophobicContact CD1-CG 3.9Å; L475-W477 VanDerWaalsContact C-N 3.28Å; L475-W477 PolarHBondContact O-N 2.94Å; L475-R478 PolarHBondContact O-N 3.35Å; L475-R478 VanDerWaalsContact O-N 3.15Å; L475-M479 HydrophobicContact CD1-CG 3.94Å; L475-M479 HydrophobicContact CD1-SD 4.26Å; L475-M479 HydrophobicContact CG-CG 4.3Å; L475-M479 WeakPolarHBondContact O-CG 3.47Å; L475-M479 PolarHBondContact O-N 3.37Å; L475-I500 HydrophobicContact CD1-CD1 4.27Å; L475-I500 HydrophobicContact CD1-CG1 4.38Å; L475-I500 HydrophobicContact CD1-CG2 4.44Å; L475-I500 HydrophobicContact CD2-CD1 4.18Å; L475-I500 HydrophobicContact CD2-CG2 4.22Å; L475-I500 HydrophobicContact CG-CD1 4.47Å
476	P	98	Very high	96.8	Very high	61 Å²	61	35.1 Å²	35.1	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-59.1	-37.8	179.4	-24.9	35	0	0	0	113.6	L403 M479 K480	L403-P476 HydrophobicContact CD1-CB 4.38Å; L403-P476 HydrophobicContact CD1-CG 4.11Å; P476-M479 PolarHBondContact O-N 3.41Å; P476-K480 WeakPolarHBondContact O-CG 3.17Å; P476-K480 PolarHBondContact O-N 2.94Å
477	W	97.7	Very high	96.8	Very high	50 Å²	50	40.8 Å²	40.8	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-37.8	177.4	-71.3	109.8	0	0	0	112.1	V473 P474 L475 K480 Q481 V623 E626 Y627	V473-W477 HydrophobicContact CG1-CB 3.71Å; P474-W477 PolarHBondContact O-N 3.48Å; P474-W477 VanDerWaalsContact O-N 3.1Å; L475-W477 VanDerWaalsContact C-N 3.28Å; L475-W477 PolarHBondContact O-N 2.94Å; W477-K480 HydrophobicContact CE3-CD 4.22Å; W477-K480 HydrophobicContact CZ3-CD 4.41Å; W477-Q481 WeakPolarHBondContact O-CB 3.37Å; W477-Q481 PolarHBondContact O-N 2.94Å; W477-V623 HydrophobicContact CE3-CG1 4.06Å; W477-E626 HydrophobicContact CH2-CG 3.97Å; W477-E626 HydrophobicContact CZ3-CB 4.26Å; W477-E626 HydrophobicContact CZ3-CG 4.05Å; W477-Y627 HydrophobicContact CB-CD2 4.4Å; W477-Y627 HydrophobicContact CB-CG 4.44Å; W477-Y627 AromaticContact CD1-CD2 3.42Å; W477-Y627 VanDerWaalsContact CD1-CD2 3.42Å; W477-Y627 AromaticContact CD1-CE2 3.81Å; W477-Y627 AromaticContact CD2-CD2 3.86Å; W477-Y627 HydrophobicContact CD2-CD2 3.86Å; W477-Y627 HydrophobicContact CD2-CG 4.16Å; W477-Y627 AromaticContact CE2-CD2 3.76Å; W477-Y627 AromaticContact CG-CD2 3.67Å; W477-Y627 HydrophobicContact CG-CD2 3.67Å; W477-Y627 HydrophobicContact CG-CE2 4.37Å; W477-Y627 HydrophobicContact CG-CG 4.05Å; W477-Y627 AromaticContact NE1-CD2 3.49Å
478	R	98.1	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-44.5	172.5	-70.9	-173.2	-72.2	113.6	-10.5	111.8	R431 L464 V473 P474 L475 K480 Q481 H482	R431-R478 WeakPolarHBondContact O-CD 3.47Å; R431-R478 PolarHBondContact O-NE 2.96Å; L464-R478 PolarHBondContact O-NH1 2.93Å; L464-R478 PolarHBondContact O-NH2 3.25Å; V473-R478 HydrophobicContact CB-CG 3.91Å; V473-R478 HydrophobicContact CG1-CG 3.85Å; V473-R478 WeakPolarHBondContact O-CD 3.49Å; V473-R478 PolarHBondContact O-NE 3.45Å; P474-R478 PolarHBondContact O-N 3.41Å; P474-R478 VanDerWaalsContact O-N 3.08Å; L475-R478 PolarHBondContact O-N 3.35Å; L475-R478 VanDerWaalsContact O-N 3.15Å; R478-K480 PolarHBondContact O-N 3.49Å; R478-Q481 CarbonylContact O-C 3.57Å; R478-Q481 WeakPolarHBondContact O-CB 3.46Å; R478-Q481 PolarHBondContact O-N 2.96Å; R478-Q481 VanDerWaalsContact O-N 3.12Å; R478-H482 PolarHBondContact O-CD2 3.34Å; R478-H482 PolarHBondContact O-N 3.21Å; R478-H482 PolarHBondContact O-ND1 3.23Å
479	M	98.4	Very high	96.6	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-44.2	178.3	-67.3	-57.1	-65.3	0	0	111.9	L403 Y406 P463 L475 P476 Q481 H482 A483 V498 I500	L403-M479 HydrophobicContact CD1-CG 4.22Å; L403-M479 HydrophobicContact CD2-CB 4.11Å; L403-M479 HydrophobicContact CD2-CG 4.12Å; Y406-M479 HydrophobicContact CD1-CE 3.77Å; Y406-M479 HydrophobicContact CD2-CE 3.72Å; Y406-M479 HydrophobicContact CE1-CE 4.13Å; Y406-M479 HydrophobicContact CE2-CE 4.08Å; Y406-M479 HydrophobicContact CG-CE 3.56Å; P463-M479 HydrophobicContact CB-SD 4.34Å; P463-M479 HydrophobicContact CG-SD 3.55Å; P463-M479 VanDerWaalsContact CG-SD 3.55Å; L475-M479 HydrophobicContact CD1-CG 3.94Å; L475-M479 HydrophobicContact CD1-SD 4.26Å; L475-M479 HydrophobicContact CG-CG 4.3Å; L475-M479 WeakPolarHBondContact O-CG 3.47Å; L475-M479 PolarHBondContact O-N 3.37Å; P476-M479 PolarHBondContact O-N 3.41Å; M479-Q481 VanDerWaalsContact C-N 3.31Å; M479-Q481 PolarHBondContact O-N 3.31Å; M479-H482 PolarHBondContact O-N 3.28Å; M479-A483 WeakPolarHBondContact O-CB 3.39Å; M479-A483 PolarHBondContact O-N 3.04Å; M479-V498 HydrophobicContact CE-CG1 3.76Å; M479-I500 HydrophobicContact CE-CD1 4.06Å; M479-I500 HydrophobicContact CE-CG1 3.99Å; M479-I500 HydrophobicContact CG-CD1 4.15Å; M479-I500 HydrophobicContact SD-CD1 3.98Å; M479-I500 HydrophobicContact SD-CG1 3.79Å
480	K	98.1	Very high	96.6	Very high	112 Å²	112	49 Å²	49	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-44.3	171.4	-73.8	179.3	179.3	-175.8	0	111.8	P476 W477 R478 A483 A484 V623	P476-K480 WeakPolarHBondContact O-CG 3.17Å; P476-K480 PolarHBondContact O-N 2.94Å; W477-K480 HydrophobicContact CE3-CD 4.22Å; W477-K480 HydrophobicContact CZ3-CD 4.41Å; R478-K480 PolarHBondContact O-N 3.49Å; K480-A483 PolarHBondContact O-N 3.07Å; K480-A484 PolarHBondContact O-N 3.48Å; K480-A484 VanDerWaalsContact O-N 3.1Å; K480-V623 HydrophobicContact CB-CG1 3.86Å
481	Q	98	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-41.3	-180	-170.2	-86.8	-15.6	0	0	112	P433 V434 W477 R478 M479 A484 V485 M616 A620 V623 L624	P433-Q481 HydrophobicContact CB-CG 4.25Å; V434-Q481 PolarHBondContact O-NE2 3.38Å; W477-Q481 WeakPolarHBondContact O-CB 3.37Å; W477-Q481 PolarHBondContact O-N 2.94Å; R478-Q481 CarbonylContact O-C 3.57Å; R478-Q481 WeakPolarHBondContact O-CB 3.46Å; R478-Q481 PolarHBondContact O-N 2.96Å; R478-Q481 VanDerWaalsContact O-N 3.12Å; M479-Q481 VanDerWaalsContact C-N 3.31Å; M479-Q481 PolarHBondContact O-N 3.31Å; Q481-A484 WeakPolarHBondContact O-CB 3.49Å; Q481-A484 PolarHBondContact O-N 3.37Å; Q481-V485 WeakPolarHBondContact O-CG2 3.13Å; Q481-V485 PolarHBondContact O-N 3.4Å; Q481-V485 VanDerWaalsContact O-N 3.1Å; Q481-M616 PolarHBondContact NE2-SD 2.95Å; Q481-A620 HydrophobicContact CG-CB 4.15Å; Q481-A620 WeakPolarHBondContact CG-O 3.24Å; Q481-V623 HydrophobicContact CB-CB 4.38Å; Q481-V623 HydrophobicContact CB-CG1 4.02Å; Q481-L624 HydrophobicContact CG-CD2 4.17Å; Q481-L624 HydrophobicContact CG-CG 4.1Å
482	H	98.1	Very high	97.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-38.2	177.2	-59.8	-13.1	0	0	0	112	L430 L461 R478 M479 A484 V485 L486	L430-H482 WeakPolarHBondContact CD1-NE2 3.32Å; L461-H482 HydrophobicContact CD2-CB 4.32Å; R478-H482 PolarHBondContact O-CD2 3.34Å; R478-H482 PolarHBondContact O-N 3.21Å; R478-H482 PolarHBondContact O-ND1 3.23Å; M479-H482 PolarHBondContact O-N 3.28Å; H482-A484 VanDerWaalsContact C-N 3.3Å; H482-A484 PolarHBondContact O-N 3.47Å; H482-V485 WeakPolarHBondContact O-CB 3.39Å; H482-V485 PolarHBondContact O-N 2.84Å; H482-L486 PolarHBondContact O-N 3.27Å; H482-L486 VanDerWaalsContact O-N 3.13Å
483	A	97.7	Very high	97.4	Very high	51 Å²	51	43.3 Å²	43.3	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-42.4	172.8	0	0	0	0	0	111.4	M479 K480 V485 L486 E487	M479-A483 WeakPolarHBondContact O-CB 3.39Å; M479-A483 PolarHBondContact O-N 3.04Å; K480-A483 PolarHBondContact O-N 3.07Å; A483-V485 PolarHBondContact O-N 2.9Å; A483-L486 PolarHBondContact O-N 2.81Å; A483-E487 WeakPolarHBondContact O-CB 3.28Å; A483-E487 PolarHBondContact O-N 2.82Å
484	A	97.8	Very high	97.5	Very high	6 Å²	6	49 Å²	49	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-37.1	175.7	0	0	0	0	0	113.1	K480 Q481 H482 L486 E487 E488 K619 A620 V623	K480-A484 PolarHBondContact O-N 3.48Å; K480-A484 VanDerWaalsContact O-N 3.1Å; Q481-A484 WeakPolarHBondContact O-CB 3.49Å; Q481-A484 PolarHBondContact O-N 3.37Å; H482-A484 VanDerWaalsContact C-N 3.3Å; H482-A484 PolarHBondContact O-N 3.47Å; A484-L486 VanDerWaalsContact C-N 3.32Å; A484-L486 PolarHBondContact O-N 3.32Å; A484-E487 PolarHBondContact O-N 3.26Å; A484-E488 PolarHBondContact O-N 3.28Å; A484-K619 HydrophobicContact CB-CB 3.96Å; A484-A620 HydrophobicContact CB-CB 4.12Å; A484-V623 HydrophobicContact CB-CG2 4.33Å
485	V	97.9	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-40.5	174.2	171.6	0	0	0	0	111.7	V434 Q481 H482 A483 R489 V490 L491 A620	V434-V485 HydrophobicContact CB-CG2 4.2Å; V434-V485 HydrophobicContact CG1-CG1 4.05Å; V434-V485 HydrophobicContact CG1-CG2 4.31Å; Q481-V485 WeakPolarHBondContact O-CG2 3.13Å; Q481-V485 PolarHBondContact O-N 3.4Å; Q481-V485 VanDerWaalsContact O-N 3.1Å; H482-V485 WeakPolarHBondContact O-CB 3.39Å; H482-V485 PolarHBondContact O-N 2.84Å; A483-V485 PolarHBondContact O-N 2.9Å; V485-R489 PolarHBondContact O-N 3.24Å; V485-V490 HydrophobicContact CG1-CB 3.88Å; V485-V490 HydrophobicContact CG1-CG1 4.13Å; V485-V490 PolarHBondContact O-N 2.85Å; V485-L491 HydrophobicContact CG1-CD1 4.14Å; V485-L491 HydrophobicContact CG1-CG 4.17Å; V485-A620 HydrophobicContact CG2-CB 3.52Å
486	L	97.1	Very high	97.5	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-72.5	-38.1	176.5	-71.2	164.9	0	0	0	112.1	H482 A483 A484 E488 R489 L491 P493 T496 V498	H482-L486 PolarHBondContact O-N 3.27Å; H482-L486 VanDerWaalsContact O-N 3.13Å; A483-L486 PolarHBondContact O-N 2.81Å; A484-L486 VanDerWaalsContact C-N 3.32Å; A484-L486 PolarHBondContact O-N 3.32Å; L486-E488 VanDerWaalsContact C-N 3.29Å; L486-E488 PolarHBondContact O-N 3.08Å; L486-R489 WeakPolarHBondContact O-CA 2.99Å; L486-R489 PolarHBondContact O-N 3.21Å; L486-L491 HydrophobicContact CD2-CB 3.69Å; L486-P493 HydrophobicContact CD2-CB 4.41Å; L486-T496 HydrophobicContact CD2-CG2 4.05Å; L486-V498 HydrophobicContact CD1-CG2 3.36Å
487	E	97.3	Very high	97.6	Very high	126 Å²	126	45 Å²	45	59%	0.589	22%	0.224	S	C	*	.	H	α-helix	trans	-62	-37.4	176.8	-165.5	-170	168.2	0	0	111.8	A483 A484 R489 K619	A483-E487 WeakPolarHBondContact O-CB 3.28Å; A483-E487 PolarHBondContact O-N 2.82Å; A484-E487 PolarHBondContact O-N 3.26Å; E487-R489 PolarHBondContact O-N 2.84Å; E487-K619 IonicContact OE1-NZ 2.73Å; E487-K619 PolarHBondContact OE1-NZ 3.42Å; E487-K619 IonicContact OE2-NZ 3.33Å
488	E	96.6	Very high	97.6	Very high	63 Å²	63	43.8 Å²	43.8	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.1	173.2	-70.6	-172.5	-98.1	0	0	113.8	A484 L486 V490 A617 L618 K619 A620	A484-E488 PolarHBondContact O-N 3.28Å; L486-E488 VanDerWaalsContact C-N 3.29Å; L486-E488 PolarHBondContact O-N 3.08Å; E488-V490 HydrophobicContact CB-CG2 4.34Å; E488-V490 PolarHBondContact O-N 2.79Å; E488-V490 VanDerWaalsContact O-N 3.12Å; E488-A617 HydrophobicContact CB-CB 4.16Å; E488-A617 VanDerWaalsContact CD-CB 3.49Å; E488-A617 HydrophobicContact CG-CB 4.38Å; E488-A617 WeakPolarHBondContact OE1-CB 3.39Å; E488-L618 PolarHBondContact OE1-N 2.72Å; E488-L618 PolarHBondContact OE2-N 3.35Å; E488-L618 VanDerWaalsContact OE2-N 3.08Å; E488-K619 HydrophobicContact CG-CB 4.16Å; E488-K619 HydrophobicContact CG-CD 3.92Å; E488-K619 HydrophobicContact CG-CG 3.99Å; E488-K619 WeakPolarHBondContact OE1-CA 3.38Å; E488-K619 WeakPolarHBondContact OE1-CB 3.5Å; E488-K619 PolarHBondContact OE1-N 2.93Å; E488-A620 PolarHBondContact OE1-N 3.32Å
489	R	97	Very high	97.7	Very high	185 Å²	185	43.8 Å²	43.8	70%	0.698	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	28.4	179.4	-59.8	-172.1	170.4	-145	-6.8	114.2	V485 L486 E487	V485-R489 PolarHBondContact O-N 3.24Å; L486-R489 WeakPolarHBondContact O-CA 2.99Å; L486-R489 PolarHBondContact O-N 3.21Å; E487-R489 PolarHBondContact O-N 2.84Å
490	V	96.3	Very high	97.7	Very high	28 Å²	28	43.2 Å²	43.2	17%	0.17	22%	0.22	C	C	.	.	S	Bend	trans	-64.8	-36.3	167.3	174.3	0	0	0	0	109.5	A439 Q443 V485 E488 A617	A439-V490 HydrophobicContact CB-CG1 3.58Å; Q443-V490 PolarHBondContact NE2-O 2.96Å; V485-V490 HydrophobicContact CG1-CB 3.88Å; V485-V490 HydrophobicContact CG1-CG1 4.13Å; V485-V490 PolarHBondContact O-N 2.85Å; E488-V490 HydrophobicContact CB-CG2 4.34Å; E488-V490 PolarHBondContact O-N 2.79Å; E488-V490 VanDerWaalsContact O-N 3.12Å; V490-A617 HydrophobicContact CG2-CB 3.72Å
491	L	97.3	Very high	97.7	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	20%	0.197	C	C	.	.	S	Bend	trans	-115.1	142.5	164	-62	173.1	0	0	0	107.9	A439 M442 L459 L461 V485 L486 P493	A439-L491 HydrophobicContact CB-CD2 4.27Å; M442-L491 HydrophobicContact CB-CD2 4.01Å; M442-L491 HydrophobicContact CE-CD1 3.67Å; M442-L491 HydrophobicContact CE-CD2 4.07Å; M442-L491 HydrophobicContact CE-CG 4.43Å; M442-L491 HydrophobicContact SD-CD1 4.02Å; M442-L491 HydrophobicContact SD-CD2 4.29Å; L459-L491 HydrophobicContact CD2-CD1 4.09Å; L459-L491 HydrophobicContact CD2-CD2 4.18Å; L461-L491 HydrophobicContact CD2-CD1 4.16Å; V485-L491 HydrophobicContact CG1-CD1 4.14Å; V485-L491 HydrophobicContact CG1-CG 4.17Å; L486-L491 HydrophobicContact CD2-CB 3.69Å; L491-P493 WeakPolarHBondContact O-CD 3.42Å
492	D	96.9	Very high	97.7	Very high	64 Å²	64	38 Å²	38	34%	0.342	20%	0.198	S	C	.	.			trans	-75.9	115.9	179.9	-179.2	9.6	0	0	0	110.4	D494 S495 T496	D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 3.17Å; D492-D494 PolarHBondContact OD1-N 2.96Å; D492-D494 VanDerWaalsContact OD1-N 3.07Å; D492-S495 PolarHBondContact O-N 2.85Å; D492-T496 WeakPolarHBondContact O-CB 3.4Å; D492-T496 PolarHBondContact O-N 3.37Å; D492-T496 PolarHBondContact O-OG1 2.89Å
493	P	97.3	Very high	97.8	Very high	50 Å²	50	38 Å²	38	33%	0.325	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-64.7	-27.3	179	27.2	-35.3	0	0	0	113.3	L486 L491 S495 T496	L486-P493 HydrophobicContact CD2-CB 4.41Å; L491-P493 WeakPolarHBondContact O-CD 3.42Å; P493-S495 VanDerWaalsContact C-N 3.29Å; P493-S495 PolarHBondContact O-N 2.8Å; P493-T496 PolarHBondContact O-N 3.43Å
494	D	96.6	Very high	97.8	Very high	124 Å²	124	35.6 Å²	35.6	66%	0.663	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-74.1	-24.4	-177.1	-65.8	-26.3	0	0	0	111.8	M420 D492	M420-D494 WeakPolarHBondContact CE-O 3.49Å; D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 3.17Å; D492-D494 PolarHBondContact OD1-N 2.96Å; D492-D494 VanDerWaalsContact OD1-N 3.07Å
495	S	97.3	Very high	97.9	Very high	15 Å²	15	35.3 Å²	35.3	11%	0.105	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-109.8	18.3	176	75.4	0	0	0	0	113.5	Q446 V458 L459 D492 P493	Q446-S495 PolarHBondContact NE2-OG 3.02Å; V458-S495 WeakPolarHBondContact CA-O 3.23Å; L459-S495 PolarHBondContact N-O 2.86Å; D492-S495 PolarHBondContact O-N 2.85Å; P493-S495 VanDerWaalsContact C-N 3.29Å; P493-S495 PolarHBondContact O-N 2.8Å
496	T	98.7	Very high	97.9	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.1	-176.7	-58.4	0	0	0	0	112.3	L459 L461 L486 D492 P493 V498	L459-T496 HydrophobicContact CB-CG2 4.23Å; L459-T496 HydrophobicContact CD2-CG2 3.86Å; L459-T496 HydrophobicContact CG-CG2 4.01Å; L459-T496 CarbonylContact O-C 3.58Å; L459-T496 WeakPolarHBondContact O-CA 2.8Å; L461-T496 HydrophobicContact CB-CG2 3.95Å; L486-T496 HydrophobicContact CD2-CG2 4.05Å; D492-T496 WeakPolarHBondContact O-CB 3.4Å; D492-T496 PolarHBondContact O-N 3.37Å; D492-T496 PolarHBondContact O-OG1 2.89Å; P493-T496 PolarHBondContact O-N 3.43Å; T496-V498 HydrophobicContact CG2-CG2 4.32Å
497	I	98.8	Very high	98	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.6	164.6	-70.7	164.3	0	0	0	108.7	L408 L413 K416 F417 M420 V458 L459 L460 L461 A499	L408-I497 HydrophobicContact CD1-CG2 4.47Å; L413-I497 HydrophobicContact CD2-CG2 4.02Å; K416-I497 HydrophobicContact CB-CD1 3.8Å; K416-I497 HydrophobicContact CD-CD1 4.49Å; F417-I497 HydrophobicContact CD1-CD1 3.45Å; F417-I497 VanDerWaalsContact CD1-CD1 3.45Å; F417-I497 HydrophobicContact CE1-CD1 3.41Å; F417-I497 VanDerWaalsContact CE1-CD1 3.41Å; M420-I497 HydrophobicContact SD-CD1 3.44Å; M420-I497 WeakPolarHBondContact SD-CD1 3.38Å; M420-I497 HydrophobicContact SD-CG1 3.6Å; M420-I497 VanDerWaalsContact SD-CG1 3.6Å; V458-I497 HydrophobicContact CG1-CD1 4.09Å; V458-I497 HydrophobicContact CG1-CG1 4.3Å; L459-I497 PolarHBondContact O-N 3.23Å; L460-I497 HydrophobicContact CD1-CB 4.42Å; L460-I497 HydrophobicContact CD1-CG2 4.02Å; L461-I497 PolarHBondContact N-O 3.07Å; I497-A499 HydrophobicContact CG2-CB 4.43Å
498	V	98.8	Very high	98.1	Very high	26 Å²	26	28.3 Å²	28.3	16%	0.158	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.4	168.4	-170.2	0	0	0	0	109	L461 M479 L486 T496	L461-V498 HydrophobicContact CB-CG2 4.5Å; L461-V498 HydrophobicContact CD2-CG2 4.23Å; L461-V498 WeakPolarHBondContact O-CA 3.35Å; M479-V498 HydrophobicContact CE-CG1 3.76Å; L486-V498 HydrophobicContact CD1-CG2 3.36Å; T496-V498 HydrophobicContact CG2-CG2 4.32Å
499	A	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.			trans	-139.9	154.9	176.9	0	0	0	0	0	110.9	Y406 L408 L413 L460 L461 H462 P463 I497	Y406-A499 CarbonylContact O-C 3.48Å; Y406-A499 VanDerWaalsContact O-CA 3.27Å; Y406-A499 WeakPolarHBondContact O-CA 3.33Å; L408-A499 HydrophobicContact CB-CB 4.41Å; L408-A499 HydrophobicContact CD1-CB 4.15Å; L408-A499 HydrophobicContact CG-CB 4.42Å; L413-A499 HydrophobicContact CD2-CB 3.84Å; L460-A499 HydrophobicContact CD1-CB 4.22Å; L461-A499 PolarHBondContact O-N 3.16Å; H462-A499 WeakPolarHBondContact CA-O 3.38Å; H462-A499 PolarHBondContact CD2-O 3.09Å; P463-A499 WeakPolarHBondContact CD-O 3.46Å; I497-A499 HydrophobicContact CG2-CB 4.43Å
500	I	98.9	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.			trans	-100.8	122.6	-179.8	-65.5	171	0	0	0	108.9	L403 Y406 R407 P463 L475 M479	L403-I500 HydrophobicContact CB-CD1 3.86Å; L403-I500 HydrophobicContact CD1-CD1 4.32Å; Y406-I500 HydrophobicContact CG-CD1 4.44Å; Y406-I500 PolarHBondContact O-N 3.42Å; R407-I500 HydrophobicContact CG-CB 4.06Å; R407-I500 HydrophobicContact CG-CD1 4.5Å; R407-I500 HydrophobicContact CG-CG2 4.22Å; P463-I500 HydrophobicContact CG-CG1 4.45Å; P463-I500 WeakPolarHBondContact O-CA 3.41Å; L475-I500 HydrophobicContact CD1-CD1 4.27Å; L475-I500 HydrophobicContact CD1-CG1 4.38Å; L475-I500 HydrophobicContact CD1-CG2 4.44Å; L475-I500 HydrophobicContact CD2-CD1 4.18Å; L475-I500 HydrophobicContact CD2-CG2 4.22Å; L475-I500 HydrophobicContact CG-CD1 4.47Å; M479-I500 HydrophobicContact CE-CD1 4.06Å; M479-I500 HydrophobicContact CE-CG1 3.99Å; M479-I500 HydrophobicContact CG-CD1 4.15Å; M479-I500 HydrophobicContact SD-CD1 3.98Å; M479-I500 HydrophobicContact SD-CG1 3.79Å
501	F	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-83.2	121.5	173.7	176.6	-130.2	0	0	0	110	W284 H462 P463 L464 G465 S503 W515 A519	W284-F501 HydrophobicContact CB-CE2 4.49Å; W284-F501 HydrophobicContact CD2-CD2 4.02Å; W284-F501 AromaticContact CD2-CE2 3.78Å; W284-F501 HydrophobicContact CD2-CE2 3.78Å; W284-F501 AromaticContact CE3-CD2 3.94Å; W284-F501 HydrophobicContact CE3-CD2 3.94Å; W284-F501 AromaticContact CE3-CE2 3.71Å; W284-F501 HydrophobicContact CE3-CE2 3.71Å; W284-F501 HydrophobicContact CG-CE2 4.14Å; W284-F501 HydrophobicContact CH2-CD2 4.2Å; W284-F501 HydrophobicContact CZ2-CD2 4.28Å; W284-F501 HydrophobicContact CZ3-CD2 4.02Å; W284-F501 HydrophobicContact CZ3-CE2 4.22Å; H462-F501 PolarHBondContact CD2-N 3.03Å; P463-F501 PolarHBondContact O-N 3.27Å; L464-F501 HydrophobicContact CD1-CD1 4.17Å; L464-F501 HydrophobicContact CD1-CE1 4.46Å; L464-F501 HydrophobicContact CG-CD1 4.33Å; G465-F501 PolarHBondContact N-O 3.2Å; F501-S503 VanDerWaalsContact C-N 3.3Å; F501-S503 PolarHBondContact O-N 2.95Å; F501-W515 AromaticContact CE1-NE1 3.98Å; F501-W515 HydrophobicContact CE2-CZ2 4.31Å; F501-W515 AromaticContact CZ-CE2 3.77Å; F501-W515 AromaticContact CZ-CZ2 3.69Å; F501-W515 HydrophobicContact CZ-CZ2 3.69Å; F501-W515 AromaticContact CZ-NE1 3.73Å; F501-A519 HydrophobicContact CE2-CB 3.7Å; F501-A519 HydrophobicContact CZ-CB 3.66Å
502	P	98.8	Very high	98.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.019	10%	0.097	C	C	.	.			trans	-77.4	-9.6	-167.6	29.9	-36.9	0	0	0	114.8	Q278 V279 G466	Q278-P502 HydrophobicContact CB-CB 4.49Å; Q278-P502 HydrophobicContact CG-CB 3.96Å; Q278-P502 HydrophobicContact CG-CG 4.29Å; V279-P502 HydrophobicContact CG2-CG 4.27Å; G466-P502 WeakPolarHBondContact CA-O 3.48Å
503	S	98.8	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-59.6	140.4	-176.5	-175.2	0	0	0	0	112.7	L464 G466 F501 W515	L464-S503 WeakPolarHBondContact CD1-O 3.47Å; L464-S503 VanDerWaalsContact CD2-O 3.23Å; L464-S503 WeakPolarHBondContact CD2-O 3.49Å; L464-S503 WeakPolarHBondContact CG-O 3.3Å; G466-S503 VanDerWaalsContact CA-O 3.3Å; G466-S503 WeakPolarHBondContact CA-O 3.16Å; G466-S503 PolarHBondContact N-O 3.24Å; F501-S503 VanDerWaalsContact C-N 3.3Å; F501-S503 PolarHBondContact O-N 2.95Å; S503-W515 PolarHBondContact OG-NE1 2.91Å
504	P	98.9	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-57	145.5	158.2	-25.8	38.6	0	0	0	111.7	L272 Q275 W276 Y375 W467	L272-P504 HydrophobicContact CD1-CB 3.57Å; L272-P504 HydrophobicContact CD1-CG 3.59Å; Q275-P504 HydrophobicContact CB-CG 3.83Å; W276-P504 HydrophobicContact CD2-CG 4.14Å; W276-P504 HydrophobicContact CG-CG 4.35Å; W276-P504 HydrophobicContact CZ2-CB 4.08Å; W276-P504 HydrophobicContact CZ2-CG 4.02Å; Y375-P504 HydrophobicContact CE2-CB 3.99Å; W467-P504 HydrophobicContact CB-CB 4.25Å
505	M	98.8	Very high	98.7	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.034	C	C	.	.	P	Polyproline II helix	trans	-88.2	123.5	172.7	-174	74.9	-163.4	0	0	109.6	Y375 L464 W467 T468 Y507 E512 A535	Y375-M505 VanDerWaalsContact CD2-O 3.25Å; Y375-M505 WeakPolarHBondContact CD2-O 3.4Å; L464-M505 HydrophobicContact CD1-CB 3.93Å; L464-M505 HydrophobicContact CD1-CG 4.49Å; L464-M505 HydrophobicContact CD1-SD 3.78Å; L464-M505 HydrophobicContact CD2-CB 3.81Å; W467-M505 VanDerWaalsContact CE3-O 3.31Å; W467-M505 VanDerWaalsContact CZ3-O 3.26Å; W467-M505 WeakPolarHBondContact CZ3-O 3.45Å; W467-M505 WeakPolarHBondContact O-CB 3.29Å; W467-M505 PolarHBondContact O-N 2.9Å; T468-M505 HydrophobicContact CG2-CB 4.22Å; M505-Y507 HydrophobicContact CB-CD2 4.45Å; M505-Y507 HydrophobicContact CB-CE2 3.89Å; M505-Y507 HydrophobicContact CE-CD1 4.16Å; M505-Y507 HydrophobicContact CE-CE1 4.47Å; M505-Y507 HydrophobicContact CE-CG 4.48Å; M505-Y507 HydrophobicContact CG-CD1 4.08Å; M505-Y507 HydrophobicContact CG-CD2 3.86Å; M505-Y507 HydrophobicContact CG-CE1 3.81Å; M505-Y507 HydrophobicContact CG-CE2 3.54Å; M505-Y507 HydrophobicContact CG-CG 4.1Å; M505-Y507 VanDerWaalsContact CG-CZ 3.5Å; M505-E512 WeakPolarHBondContact CE-OE2 3.45Å; M505-A535 HydrophobicContact CE-CB 3.59Å
506	M	98.8	Very high	98.8	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.03	C	C	.	.			trans	-94	-19	-177.6	-70.8	155	-76.2	0	0	113.4	W276 V316 Q365 W366 H373 Y375 A508 E512 W515	W276-M506 HydrophobicContact CH2-CE 3.9Å; W276-M506 HydrophobicContact CH2-SD 4.15Å; W276-M506 HydrophobicContact CZ2-CE 4.24Å; W276-M506 HydrophobicContact CZ2-SD 4.04Å; V316-M506 HydrophobicContact CB-CE 4.1Å; V316-M506 HydrophobicContact CB-SD 3.8Å; V316-M506 HydrophobicContact CG1-CE 3.81Å; V316-M506 HydrophobicContact CG1-SD 3.8Å; V316-M506 HydrophobicContact CG2-CE 4.09Å; V316-M506 HydrophobicContact CG2-SD 4.29Å; Q365-M506 PolarHBondContact NE2-SD 3.37Å; Q365-M506 VanDerWaalsContact NE2-SD 3.41Å; W366-M506 HydrophobicContact CZ2-CB 4.09Å; W366-M506 HydrophobicContact CZ2-CG 4.36Å; W366-M506 PolarHBondContact NE1-O 3.09Å; H373-M506 PolarHBondContact CE1-O 2.59Å; Y375-M506 HydrophobicContact CD1-CG 4.31Å; Y375-M506 HydrophobicContact CD2-CB 4.34Å; Y375-M506 HydrophobicContact CD2-CG 3.98Å; Y375-M506 HydrophobicContact CE1-CG 4.09Å; Y375-M506 HydrophobicContact CE2-CG 3.72Å; Y375-M506 HydrophobicContact CG-CB 4.42Å; Y375-M506 HydrophobicContact CG-CG 4.25Å; M506-A508 VanDerWaalsContact C-N 3.26Å; M506-A508 HydrophobicContact CB-CB 4.22Å; M506-A508 PolarHBondContact O-N 3.44Å; M506-E512 HydrophobicContact CE-CG 3.94Å; M506-E512 WeakPolarHBondContact CE-OE1 3.36Å; M506-E512 PolarHBondContact N-OE1 3.12Å; M506-E512 PolarHBondContact N-OE2 2.64Å; M506-W515 HydrophobicContact CE-CG 4.47Å
507	Y	98.6	Very high	98.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.			trans	56.5	37.7	-171.2	-52.3	-92.8	0	0	0	113	H373 W467 T468 K469 D472 M505 E512 A535 M537	H373-Y507 PolarHBondContact NE2-O 3.38Å; W467-Y507 HydrophobicContact CH2-CE2 4.32Å; W467-Y507 HydrophobicContact CZ3-CD2 4.19Å; W467-Y507 AromaticContact CZ3-CE2 3.74Å; W467-Y507 HydrophobicContact CZ3-CE2 3.74Å; T468-Y507 WeakPolarHBondContact CA-OH 3.49Å; T468-Y507 WeakPolarHBondContact CB-OH 3.43Å; K469-Y507 HydrophobicContact CB-CE2 3.98Å; K469-Y507 HydrophobicContact CD-CD1 4.22Å; K469-Y507 HydrophobicContact CD-CE1 3.68Å; K469-Y507 HydrophobicContact CD-CE2 4.11Å; K469-Y507 HydrophobicContact CG-CE1 4.11Å; K469-Y507 HydrophobicContact CG-CE2 4.11Å; K469-Y507 WeakPolarHBondContact CG-OH 3.48Å; K469-Y507 PolarHBondContact N-OH 3.33Å; D472-Y507 PolarHBondContact OD2-OH 2.88Å; M505-Y507 HydrophobicContact CB-CD2 4.45Å; M505-Y507 HydrophobicContact CB-CE2 3.89Å; M505-Y507 HydrophobicContact CE-CD1 4.16Å; M505-Y507 HydrophobicContact CE-CE1 4.47Å; M505-Y507 HydrophobicContact CE-CG 4.48Å; M505-Y507 HydrophobicContact CG-CD1 4.08Å; M505-Y507 HydrophobicContact CG-CD2 3.86Å; M505-Y507 HydrophobicContact CG-CE1 3.81Å; M505-Y507 HydrophobicContact CG-CE2 3.54Å; M505-Y507 HydrophobicContact CG-CG 4.1Å; M505-Y507 VanDerWaalsContact CG-CZ 3.5Å; Y507-E512 VanDerWaalsContact CA-OE2 3.28Å; Y507-E512 WeakPolarHBondContact CA-OE2 2.82Å; Y507-E512 PolarHBondContact N-OE2 2.84Å; Y507-A535 CarbonylContact C-O 3.54Å; Y507-A535 VanDerWaalsContact CA-O 3.23Å; Y507-A535 WeakPolarHBondContact CA-O 3.16Å; Y507-M537 HydrophobicContact CD1-CB 4.26Å; Y507-M537 HydrophobicContact CD1-SD 4.24Å; Y507-M537 HydrophobicContact CG-SD 3.92Å
508	A	98.8	Very high	98.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.			trans	-99.8	20.5	-174.7	0	0	0	0	0	114.2	W366 M506 T511 E512 Y547	W366-A508 HydrophobicContact CD2-CB 4.45Å; W366-A508 HydrophobicContact CG-CB 4.1Å; M506-A508 VanDerWaalsContact C-N 3.26Å; M506-A508 HydrophobicContact CB-CB 4.22Å; M506-A508 PolarHBondContact O-N 3.44Å; A508-T511 PolarHBondContact O-N 3.5Å; A508-T511 VanDerWaalsContact O-N 3.16Å; A508-E512 HydrophobicContact CB-CB 3.85Å; A508-E512 PolarHBondContact N-OE2 2.91Å; A508-E512 PolarHBondContact O-N 3.47Å; A508-Y547 WeakPolarHBondContact CA-OH 3.45Å
509	G	98.6	Very high	98.8	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	55.2	-127.1	167.3	0	0	0	0	0	114.7	T511 E512 V513 P534 A535 Y547	G509-T511 PolarHBondContact O-N 3.48Å; G509-E512 PolarHBondContact O-N 3.25Å; G509-E512 VanDerWaalsContact O-N 3.15Å; G509-V513 PolarHBondContact O-N 3.47Å; G509-P534 CarbonylContact C-O 3.59Å; G509-P534 WeakPolarHBondContact CA-O 3.15Å; G509-A535 PolarHBondContact N-O 3.28Å; G509-A535 VanDerWaalsContact N-O 3.09Å; G509-Y547 VanDerWaalsContact CA-CD2 3.5Å; G509-Y547 VanDerWaalsContact CA-CE2 3.48Å; G509-Y547 VanDerWaalsContact N-CE2 3.34Å
510	P	98.6	Very high	98.8	Very high	17 Å²	17	2.4 Å²	2.4	11%	0.11	2%	0.015	C	C	.	.	H	α-helix	trans	-58.5	-27.4	-179.4	-23.8	33.6	0	0	0	115.4	V513 Q514 Y547 H551 V555	P510-V513 WeakPolarHBondContact O-CG1 3.38Å; P510-Q514 PolarHBondContact O-NE2 3.48Å; P510-Y547 HydrophobicContact CG-CD1 4.39Å; P510-H551 HydrophobicContact CB-CB 4.41Å; P510-H551 HydrophobicContact CG-CB 3.58Å; P510-V555 HydrophobicContact CB-CB 4.29Å; P510-V555 HydrophobicContact CB-CG2 4.04Å
511	T	98.8	Very high	98.7	Very high	23 Å²	23	2.8 Å²	2.8	14%	0.141	2%	0.016	C	C	.	.	H	α-helix	trans	-72.6	-46.5	175.4	-55	0	0	0	0	110	S315 Q365 A508 G509	S315-T511 WeakPolarHBondContact CB-O 3.25Å; S315-T511 WeakPolarHBondContact O-CG2 3.29Å; S315-T511 PolarHBondContact OG-O 3.35Å; Q365-T511 WeakPolarHBondContact O-CB 3.47Å; Q365-T511 PolarHBondContact O-OG1 3.08Å; A508-T511 PolarHBondContact O-N 3.5Å; A508-T511 VanDerWaalsContact O-N 3.16Å; G509-T511 PolarHBondContact O-N 3.48Å
512	E	98.9	Very high	98.7	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-76.1	-30	-177.3	173.9	174	-156.6	0	0	113.7	M505 M506 Y507 A508 G509 Q514 W515 H516 A535	M505-E512 WeakPolarHBondContact CE-OE2 3.45Å; M506-E512 HydrophobicContact CE-CG 3.94Å; M506-E512 WeakPolarHBondContact CE-OE1 3.36Å; M506-E512 PolarHBondContact N-OE1 3.12Å; M506-E512 PolarHBondContact N-OE2 2.64Å; Y507-E512 VanDerWaalsContact CA-OE2 3.28Å; Y507-E512 WeakPolarHBondContact CA-OE2 2.82Å; Y507-E512 PolarHBondContact N-OE2 2.84Å; A508-E512 HydrophobicContact CB-CB 3.85Å; A508-E512 PolarHBondContact N-OE2 2.91Å; A508-E512 PolarHBondContact O-N 3.47Å; G509-E512 PolarHBondContact O-N 3.25Å; G509-E512 VanDerWaalsContact O-N 3.15Å; E512-Q514 PolarHBondContact O-N 2.99Å; E512-W515 WeakPolarHBondContact O-CA 3.46Å; E512-W515 VanDerWaalsContact O-CB 3.3Å; E512-W515 WeakPolarHBondContact O-CB 3.12Å; E512-W515 PolarHBondContact O-N 3.32Å; E512-H516 VanDerWaalsContact CD-NE2 3.31Å; E512-H516 VanDerWaalsContact CG-CE1 3.46Å; E512-H516 WeakPolarHBondContact CG-CE1 3.19Å; E512-H516 WeakPolarHBondContact CG-NE2 3.2Å; E512-H516 PolarHBondContact O-N 3.37Å; E512-H516 IonicContact OE1-CE1 2.76Å; E512-H516 PolarHBondContact OE1-CE1 2.75Å; E512-H516 IonicContact OE1-NE2 3.84Å; E512-H516 PolarHBondContact OE1-NE2 3.02Å; E512-A535 HydrophobicContact CB-CB 4.04Å; E512-A535 HydrophobicContact CG-CB 3.96Å
513	V	98.8	Very high	98.6	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.7	-28.5	178.4	72.1	0	0	0	0	112.1	G509 P510 H516 C517 Y528 V530 P534 L556	G509-V513 PolarHBondContact O-N 3.47Å; P510-V513 WeakPolarHBondContact O-CG1 3.38Å; V513-H516 PolarHBondContact O-N 3.44Å; V513-C517 VanDerWaalsContact O-CB 3.25Å; V513-C517 WeakPolarHBondContact O-CB 3.3Å; V513-C517 PolarHBondContact O-N 3.23Å; V513-Y528 HydrophobicContact CG2-CE1 4.22Å; V513-V530 HydrophobicContact CG2-CG2 4.12Å; V513-P534 HydrophobicContact CB-CB 4.1Å; V513-P534 HydrophobicContact CB-CG 4.01Å; V513-P534 HydrophobicContact CG1-CG 4.23Å; V513-P534 HydrophobicContact CG2-CB 3.63Å; V513-P534 HydrophobicContact CG2-CG 3.78Å; V513-L556 HydrophobicContact CG1-CD1 4.4Å; V513-L556 HydrophobicContact CG2-CD2 4.2Å
514	Q	98.8	Very high	98.6	Very high	3 Å²	3	3.8 Å²	3.8	1%	0.014	3%	0.027	C	C	.	.	H	α-helix	trans	-62.1	-46.3	170	-66.1	-179.8	71.8	0	0	111	D304 N313 S315 P510 E512 H516 C517 R518 V555 L556 A559	D304-Q514 PolarHBondContact OD2-NE2 3.46Å; N313-Q514 PolarHBondContact ND2-OE1 3.11Å; S315-Q514 WeakPolarHBondContact OG-CB 3.46Å; P510-Q514 PolarHBondContact O-NE2 3.48Å; E512-Q514 PolarHBondContact O-N 2.99Å; Q514-H516 PolarHBondContact O-N 2.71Å; Q514-C517 WeakPolarHBondContact O-CB 3.35Å; Q514-C517 PolarHBondContact O-N 3.31Å; Q514-R518 WeakPolarHBondContact O-CB 3.43Å; Q514-R518 WeakPolarHBondContact O-CG 3.22Å; Q514-R518 PolarHBondContact O-N 2.91Å; Q514-V555 HydrophobicContact CG-CG1 4.16Å; Q514-L556 HydrophobicContact CB-CD1 4.35Å; Q514-L556 HydrophobicContact CG-CD1 4.02Å; Q514-A559 HydrophobicContact CG-CB 4.19Å
515	W	98.9	Very high	98.5	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59	-46.4	173.1	165.2	-118.9	0	0	0	112.5	W276 V279 W284 A285 S315 V316 I318 F501 S503 M506 E512 C517 R518 A519	W276-W515 HydrophobicContact CZ3-CZ2 4.13Å; V279-W515 HydrophobicContact CG1-CH2 3.52Å; V279-W515 HydrophobicContact CG1-CZ2 3.54Å; W284-W515 HydrophobicContact CB-CH2 3.96Å; A285-W515 HydrophobicContact CB-CH2 4.17Å; A285-W515 HydrophobicContact CB-CZ3 4.22Å; S315-W515 PolarHBondContact OG-N 3.23Å; V316-W515 HydrophobicContact CB-CB 4.43Å; V316-W515 HydrophobicContact CG1-CB 3.82Å; V316-W515 HydrophobicContact CG1-CG 4.33Å; V316-W515 HydrophobicContact CG2-CB 3.73Å; V316-W515 HydrophobicContact CG2-CD2 3.74Å; V316-W515 HydrophobicContact CG2-CE3 4.12Å; V316-W515 HydrophobicContact CG2-CG 3.53Å; I318-W515 HydrophobicContact CD1-CH2 4.13Å; I318-W515 HydrophobicContact CD1-CZ3 4.16Å; F501-W515 AromaticContact CE1-NE1 3.98Å; F501-W515 HydrophobicContact CE2-CZ2 4.31Å; F501-W515 AromaticContact CZ-CE2 3.77Å; F501-W515 AromaticContact CZ-CZ2 3.69Å; F501-W515 HydrophobicContact CZ-CZ2 3.69Å; F501-W515 AromaticContact CZ-NE1 3.73Å; S503-W515 PolarHBondContact OG-NE1 2.91Å; M506-W515 HydrophobicContact CE-CG 4.47Å; E512-W515 WeakPolarHBondContact O-CA 3.46Å; E512-W515 VanDerWaalsContact O-CB 3.3Å; E512-W515 WeakPolarHBondContact O-CB 3.12Å; E512-W515 PolarHBondContact O-N 3.32Å; W515-C517 PolarHBondContact O-N 3.09Å; W515-R518 HydrophobicContact CE3-CG 4.04Å; W515-R518 WeakPolarHBondContact O-CG 3.29Å; W515-A519 HydrophobicContact CH2-CB 4.39Å; W515-A519 HydrophobicContact CZ2-CB 4.5Å; W515-A519 HydrophobicContact CZ3-CB 4.47Å; W515-A519 VanDerWaalsContact O-CB 3.28Å; W515-A519 WeakPolarHBondContact O-CB 3.4Å; W515-A519 PolarHBondContact O-N 3.42Å; W515-A519 VanDerWaalsContact O-N 3.07Å
516	H	98.9	Very high	98.5	Very high	3 Å²	3	6.9 Å²	6.9	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-61.8	-35.3	177.5	-66.2	171.3	0	0	0	112.3	Q429 E512 V513 Q514 R520 Y528	Q429-H516 HydrophobicContact CG-CB 4.08Å; Q429-H516 WeakPolarHBondContact CG-ND1 3.33Å; Q429-H516 PolarHBondContact NE2-CE1 3.08Å; E512-H516 VanDerWaalsContact CD-NE2 3.31Å; E512-H516 VanDerWaalsContact CG-CE1 3.46Å; E512-H516 WeakPolarHBondContact CG-CE1 3.19Å; E512-H516 WeakPolarHBondContact CG-NE2 3.2Å; E512-H516 PolarHBondContact O-N 3.37Å; E512-H516 IonicContact OE1-CE1 2.76Å; E512-H516 PolarHBondContact OE1-CE1 2.75Å; E512-H516 IonicContact OE1-NE2 3.84Å; E512-H516 PolarHBondContact OE1-NE2 3.02Å; V513-H516 PolarHBondContact O-N 3.44Å; Q514-H516 PolarHBondContact O-N 2.71Å; H516-R520 VanDerWaalsContact O-CD 3.29Å; H516-R520 WeakPolarHBondContact O-CD 3.37Å; H516-R520 PolarHBondContact O-NH1 3.33Å; H516-Y528 WeakPolarHBondContact CB-OH 3.31Å
517	C	98.8	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-73.6	-54.2	178.7	-174.3	0	0	0	0	112.1	V513 Q514 W515 A519 R520 M521 Y528 L556 L565	V513-C517 VanDerWaalsContact O-CB 3.25Å; V513-C517 WeakPolarHBondContact O-CB 3.3Å; V513-C517 PolarHBondContact O-N 3.23Å; Q514-C517 WeakPolarHBondContact O-CB 3.35Å; Q514-C517 PolarHBondContact O-N 3.31Å; W515-C517 PolarHBondContact O-N 3.09Å; C517-A519 VanDerWaalsContact C-N 3.26Å; C517-A519 PolarHBondContact O-N 2.99Å; C517-R520 PolarHBondContact O-N 2.84Å; C517-M521 PolarHBondContact O-N 2.97Å; C517-Y528 HydrophobicContact CB-CD1 4.04Å; C517-Y528 HydrophobicContact CB-CD2 4.12Å; C517-Y528 HydrophobicContact CB-CE1 4.02Å; C517-Y528 HydrophobicContact CB-CE2 4.12Å; C517-Y528 HydrophobicContact CB-CG 4.07Å; C517-Y528 VanDerWaalsContact SG-CG 3.59Å; C517-L556 HydrophobicContact CB-CD1 3.6Å; C517-L556 HydrophobicContact CB-CD2 4.04Å; C517-L556 HydrophobicContact CB-CG 4.3Å; C517-L565 VanDerWaalsContact SG-CD2 3.54Å
518	R	98.3	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.6	-35.6	-178.4	75.4	85.9	64.7	-162.5	-1.6	112.2	Y242 W284 T286 N313 Q514 W515 R520 M521 V522 L562	Y242-R518 VanDerWaalsContact CE1-NH2 3.34Å; W284-R518 PolarHBondContact O-NH1 3.36Å; T286-R518 VanDerWaalsContact O-CZ 3.28Å; T286-R518 PolarHBondContact O-NH1 2.84Å; T286-R518 PolarHBondContact O-NH2 2.98Å; N313-R518 HydrophobicContact CB-CB 4.38Å; N313-R518 PolarHBondContact O-NE 3.24Å; N313-R518 PolarHBondContact O-NH2 3.04Å; N313-R518 VanDerWaalsContact O-NH2 3.09Å; Q514-R518 WeakPolarHBondContact O-CB 3.43Å; Q514-R518 WeakPolarHBondContact O-CG 3.22Å; Q514-R518 PolarHBondContact O-N 2.91Å; W515-R518 HydrophobicContact CE3-CG 4.04Å; W515-R518 WeakPolarHBondContact O-CG 3.29Å; R518-R520 PolarHBondContact O-N 3.32Å; R518-M521 VanDerWaalsContact O-CB 3.25Å; R518-M521 WeakPolarHBondContact O-CB 3.18Å; R518-M521 PolarHBondContact O-N 2.78Å; R518-V522 WeakPolarHBondContact O-CG2 3.47Å; R518-V522 PolarHBondContact O-N 3.41Å; R518-L562 HydrophobicContact CB-CD2 3.77Å
519	A	98.7	Very high	98.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.8	-34.6	176.7	0	0	0	0	0	111.6	W284 F501 W515 C517 A523	W284-A519 HydrophobicContact CE3-CB 3.97Å; W284-A519 WeakPolarHBondContact CZ3-O 3.4Å; F501-A519 HydrophobicContact CE2-CB 3.7Å; F501-A519 HydrophobicContact CZ-CB 3.66Å; W515-A519 HydrophobicContact CH2-CB 4.39Å; W515-A519 HydrophobicContact CZ2-CB 4.5Å; W515-A519 HydrophobicContact CZ3-CB 4.47Å; W515-A519 VanDerWaalsContact O-CB 3.28Å; W515-A519 WeakPolarHBondContact O-CB 3.4Å; W515-A519 PolarHBondContact O-N 3.42Å; W515-A519 VanDerWaalsContact O-N 3.07Å; C517-A519 VanDerWaalsContact C-N 3.26Å; C517-A519 PolarHBondContact O-N 2.99Å; A519-A523 PolarHBondContact O-N 2.79Å
520	R	98.8	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-80.4	-32.9	178.7	-81.9	41.9	176.9	-95.5	-2.9	111.2	A427 Q429 L460 H462 H516 C517 R518 V522 A523 G524 A525 Y528	A427-R520 HydrophobicContact CB-CB 3.92Å; A427-R520 HydrophobicContact CB-CG 3.76Å; Q429-R520 VanDerWaalsContact OE1-CZ 3.29Å; Q429-R520 VanDerWaalsContact OE1-NH1 3.07Å; L460-R520 HydrophobicContact CD2-CG 4.46Å; H462-R520 PolarHBondContact CE1-NE 3.2Å; H462-R520 PolarHBondContact ND1-NE 2.94Å; H462-R520 PolarHBondContact O-NH2 3.39Å; H516-R520 VanDerWaalsContact O-CD 3.29Å; H516-R520 WeakPolarHBondContact O-CD 3.37Å; H516-R520 PolarHBondContact O-NH1 3.33Å; C517-R520 PolarHBondContact O-N 2.84Å; R518-R520 PolarHBondContact O-N 3.32Å; R520-V522 VanDerWaalsContact C-N 3.33Å; R520-A523 CarbonylContact O-C 3.45Å; R520-A523 PolarHBondContact O-N 3.33Å; R520-G524 PolarHBondContact O-N 3.35Å; R520-G524 VanDerWaalsContact O-N 3.17Å; R520-A525 HydrophobicContact CB-CB 4.1Å; R520-A525 VanDerWaalsContact O-CB 3.26Å; R520-A525 WeakPolarHBondContact O-CB 3.49Å; R520-A525 PolarHBondContact O-N 2.91Å; R520-Y528 HydrophobicContact CB-CD2 4.24Å; R520-Y528 HydrophobicContact CB-CE2 4.41Å; R520-Y528 HydrophobicContact CG-CE2 4.41Å
521	M	98.1	Very high	98	Very high	7 Å²	7	8 Å²	8	3%	0.034	5%	0.053	C	C	.	.	H	α-helix	trans	-54.8	-50.2	167.2	-159.3	170.7	66.6	0	0	111.1	Y242 C517 R518 A523 G524 L562 S564 L565	Y242-M521 HydrophobicContact CD1-CE 3.65Å; Y242-M521 HydrophobicContact CD2-CE 3.91Å; Y242-M521 HydrophobicContact CE1-CE 3.34Å; Y242-M521 HydrophobicContact CE2-CE 3.65Å; Y242-M521 HydrophobicContact CG-CE 3.9Å; C517-M521 PolarHBondContact O-N 2.97Å; R518-M521 VanDerWaalsContact O-CB 3.25Å; R518-M521 WeakPolarHBondContact O-CB 3.18Å; R518-M521 PolarHBondContact O-N 2.78Å; M521-A523 VanDerWaalsContact C-N 3.27Å; M521-A523 PolarHBondContact O-N 3.31Å; M521-G524 WeakPolarHBondContact O-CA 3.44Å; M521-G524 PolarHBondContact O-N 3.39Å; M521-L562 HydrophobicContact CE-CD2 4.32Å; M521-L562 HydrophobicContact SD-CD2 4.34Å; M521-S564 WeakPolarHBondContact CG-OG 3.49Å; M521-S564 PolarHBondContact SD-OG 2.76Å; M521-S564 VanDerWaalsContact SD-OG 3.39Å; M521-L565 HydrophobicContact CB-CD2 3.42Å; M521-L565 VanDerWaalsContact CB-CD2 3.42Å; M521-L565 HydrophobicContact CB-CG 4.37Å; M521-L565 HydrophobicContact CG-CB 4.35Å; M521-L565 HydrophobicContact CG-CD2 3.6Å; M521-L565 HydrophobicContact CG-CG 4.01Å; M521-L565 HydrophobicContact SD-CD2 3.94Å; M521-L565 HydrophobicContact SD-CG 3.93Å
522	V	97.8	Very high	97.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-60.3	-38.3	177.9	169.5	0	0	0	0	111.5	Y242 V244 P410 K414 R518 R520 G524	Y242-V522 HydrophobicContact CD1-CG2 3.77Å; V244-V522 HydrophobicContact CG2-CG1 3.79Å; P410-V522 HydrophobicContact CB-CG1 4.35Å; K414-V522 WeakPolarHBondContact CE-O 3.46Å; K414-V522 PolarHBondContact NZ-O 3.37Å; R518-V522 WeakPolarHBondContact O-CG2 3.47Å; R518-V522 PolarHBondContact O-N 3.41Å; R520-V522 VanDerWaalsContact C-N 3.33Å; V522-G524 PolarHBondContact O-N 3.22Å
523	A	98.1	Very high	97.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-3.3	174.4	0	0	0	0	0	114.5	W284 P410 L413 K414 F417 A519 R520 M521	W284-A523 HydrophobicContact CH2-CB 4.15Å; W284-A523 HydrophobicContact CZ3-CB 3.71Å; P410-A523 HydrophobicContact CB-CB 4.23Å; L413-A523 HydrophobicContact CD1-CB 3.9Å; K414-A523 WeakPolarHBondContact CG-O 3.39Å; F417-A523 WeakPolarHBondContact CE2-O 3.39Å; A519-A523 PolarHBondContact O-N 2.79Å; R520-A523 CarbonylContact O-C 3.45Å; R520-A523 PolarHBondContact O-N 3.33Å; M521-A523 VanDerWaalsContact C-N 3.27Å; M521-A523 PolarHBondContact O-N 3.31Å
524	G	97.1	Very high	97.2	Very high	23 Å²	23	14.9 Å²	14.9	24%	0.237	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	14.9	175.1	0	0	0	0	0	115.6	R520 M521 V522	R520-G524 PolarHBondContact O-N 3.35Å; R520-G524 VanDerWaalsContact O-N 3.17Å; M521-G524 WeakPolarHBondContact O-CA 3.44Å; M521-G524 PolarHBondContact O-N 3.39Å; V522-G524 PolarHBondContact O-N 3.22Å
525	A	98.1	Very high	97.1	Very high	1 Å²	1	15 Å²	15	1%	0.008	8%	0.083	C	C	.	.			trans	-68.8	134.1	171.1	0	0	0	0	0	111.1	V425 A427 R520	V425-A525 HydrophobicContact CG1-CB 4.36Å; A427-A525 HydrophobicContact CB-CB 3.9Å; R520-A525 HydrophobicContact CB-CB 4.1Å; R520-A525 VanDerWaalsContact O-CB 3.26Å; R520-A525 WeakPolarHBondContact O-CB 3.49Å; R520-A525 PolarHBondContact O-N 2.91Å
526	N	97.5	Very high	97	Very high	65 Å²	65	15.1 Å²	15.1	35%	0.348	8%	0.084	S	C	.	.	S	Bend	trans	-95.3	-21.9	174.7	-46.4	110	0	0	0	112	V425 L565 E566	V425-N526 PolarHBondContact N-OD1 2.87Å; V425-N526 PolarHBondContact O-N 3.42Å; N526-L565 CarbonylContact O-C 3.55Å; N526-L565 WeakPolarHBondContact O-CA 3.45Å; N526-L565 WeakPolarHBondContact O-CB 3.1Å; N526-E566 PolarHBondContact O-N 2.76Å
527	F	98.6	Very high	96.9	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.9	-179.8	-58.3	-87.7	0	0	0	110	A424 V425 F426 A427 L449 Y454 E566 V568	A424-F527 HydrophobicContact CB-CD2 4.27Å; A424-F527 HydrophobicContact CB-CE2 3.81Å; V425-F527 PolarHBondContact O-N 3.36Å; F426-F527 CarbonylContact C-O 3.59Å; F426-F527 WeakPolarHBondContact CA-O 3.28Å; F426-F527 HydrophobicContact CB-CB 3.75Å; A427-F527 PolarHBondContact N-O 3.32Å; L449-F527 HydrophobicContact CD1-CD2 3.98Å; L449-F527 HydrophobicContact CD1-CE2 4.31Å; L449-F527 HydrophobicContact CD1-CG 4.41Å; L449-F527 HydrophobicContact CD2-CD1 3.88Å; L449-F527 HydrophobicContact CD2-CD2 3.69Å; L449-F527 HydrophobicContact CD2-CE1 3.6Å; L449-F527 HydrophobicContact CD2-CE2 3.4Å; L449-F527 HydrophobicContact CD2-CG 3.94Å; L449-F527 HydrophobicContact CD2-CZ 3.36Å; Y454-F527 HydrophobicContact CE2-CE2 4.05Å; Y454-F527 AromaticContact CE2-CZ 3.71Å; Y454-F527 HydrophobicContact CE2-CZ 3.71Å; Y454-F527 AromaticContact CZ-CZ 3.87Å; F527-E566 CarbonylContact C-O 3.56Å; F527-E566 VanDerWaalsContact CA-O 3.32Å; F527-E566 WeakPolarHBondContact CA-O 3.25Å; F527-E566 HydrophobicContact CD1-CB 3.8Å; F527-E566 HydrophobicContact CD1-CG 4.37Å; F527-E566 HydrophobicContact CE1-CB 3.94Å; F527-E566 HydrophobicContact CE1-CG 4.46Å; F527-E566 WeakPolarHBondContact CE1-OE2 3.47Å; F527-V568 HydrophobicContact CB-CG2 4.04Å; F527-V568 HydrophobicContact CD1-CG2 4.08Å
528	Y	98.8	Very high	96.7	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.3	177.3	-171.6	-92.4	0	0	0	110.7	A427 Q429 V513 H516 C517 R520 V530 L556 E566 V568	A427-Y528 HydrophobicContact CB-CD2 4.21Å; Q429-Y528 HydrophobicContact CB-CE2 4.37Å; Q429-Y528 WeakPolarHBondContact CB-OH 3.49Å; V513-Y528 HydrophobicContact CG2-CE1 4.22Å; H516-Y528 WeakPolarHBondContact CB-OH 3.31Å; C517-Y528 HydrophobicContact CB-CD1 4.04Å; C517-Y528 HydrophobicContact CB-CD2 4.12Å; C517-Y528 HydrophobicContact CB-CE1 4.02Å; C517-Y528 HydrophobicContact CB-CE2 4.12Å; C517-Y528 HydrophobicContact CB-CG 4.07Å; C517-Y528 VanDerWaalsContact SG-CG 3.59Å; R520-Y528 HydrophobicContact CB-CD2 4.24Å; R520-Y528 HydrophobicContact CB-CE2 4.41Å; R520-Y528 HydrophobicContact CG-CE2 4.41Å; Y528-V530 HydrophobicContact CD1-CB 4.37Å; Y528-V530 HydrophobicContact CE1-CB 4.31Å; Y528-L556 HydrophobicContact CD1-CD2 3.61Å; Y528-L556 HydrophobicContact CE1-CD2 3.8Å; Y528-E566 PolarHBondContact N-O 3.27Å; Y528-V568 PolarHBondContact O-N 2.93Å
529	I	98.4	Very high	96.7	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.4	178	-61.6	172.9	0	0	0	109.1	F426 A427 F428 L441 M442 T445 F570	F426-I529 HydrophobicContact CD2-CD1 3.88Å; F426-I529 HydrophobicContact CE2-CD1 4.48Å; A427-I529 PolarHBondContact O-N 3.48Å; A427-I529 VanDerWaalsContact O-N 3.1Å; F428-I529 HydrophobicContact CB-CD1 4.5Å; F428-I529 HydrophobicContact CD2-CB 3.84Å; F428-I529 HydrophobicContact CD2-CD1 3.97Å; F428-I529 HydrophobicContact CD2-CG2 3.64Å; F428-I529 HydrophobicContact CE2-CB 4.47Å; F428-I529 HydrophobicContact CE2-CG2 3.78Å; L441-I529 HydrophobicContact CB-CG2 4.21Å; L441-I529 HydrophobicContact CD2-CG2 4.12Å; M442-I529 HydrophobicContact CG-CD1 4.12Å; T445-I529 HydrophobicContact CG2-CD1 4.01Å; T445-I529 HydrophobicContact CG2-CG1 4.05Å; T445-I529 VanDerWaalsContact OG1-CD1 3.29Å; T445-I529 WeakPolarHBondContact OG1-CD1 3.1Å; T445-I529 WeakPolarHBondContact OG1-CG1 3.16Å; I529-F570 HydrophobicContact CG1-CE2 4.49Å; I529-F570 HydrophobicContact CG2-CD2 3.82Å; I529-F570 HydrophobicContact CG2-CE2 3.9Å
530	V	96.6	Very high	96.5	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.1	174.9	65.9	0	0	0	0	111	V513 Y528 P534 A553 L556 I567 V568 P569 F570	V513-V530 HydrophobicContact CG2-CG2 4.12Å; Y528-V530 HydrophobicContact CD1-CB 4.37Å; Y528-V530 HydrophobicContact CE1-CB 4.31Å; V530-P534 HydrophobicContact CG2-CB 3.98Å; V530-P534 HydrophobicContact CG2-CG 3.75Å; V530-A553 HydrophobicContact CG1-CB 3.95Å; V530-A553 HydrophobicContact CG2-CB 4.36Å; V530-L556 HydrophobicContact CB-CD2 4.28Å; V530-L556 HydrophobicContact CG1-CD2 4.39Å; V530-L556 HydrophobicContact CG2-CD2 4.41Å; V530-I567 HydrophobicContact CG1-CG2 3.5Å; V530-I567 VanDerWaalsContact CG1-CG2 3.5Å; V530-V568 PolarHBondContact N-O 3.49Å; V530-V568 VanDerWaalsContact N-O 3.07Å; V530-P569 HydrophobicContact CG1-CB 4.14Å; V530-P569 WeakPolarHBondContact O-CA 3.44Å; V530-F570 PolarHBondContact O-N 3.01Å
531	G	91.4	Very high	96.3	Very high	22 Å²	22	26.8 Å²	26.8	23%	0.227	16%	0.162	C	C	.	.			trans	-102.1	-159.2	177.4	0	0	0	0	0	113.2
532	R	90.4	Very high	96.2	Very high	121 Å²	121	30.6 Å²	30.6	46%	0.457	19%	0.186	S	C	.	.	S	Bend	trans	-72	140.1	173	179.1	-174.4	179.4	-77.7	6	111	D545 P549 V572	R532-D545 IonicContact CZ-OD2 3.22Å; R532-D545 IonicContact NH1-OD2 2.71Å; R532-D545 PolarHBondContact NH1-OD2 2.72Å; R532-D545 IonicContact NH2-OD2 3.52Å; R532-D545 PolarHBondContact NH2-OD2 3.35Å; R532-P549 HydrophobicContact CG-CB 3.38Å; R532-P549 VanDerWaalsContact CZ-CB 3.46Å; R532-P549 VanDerWaalsContact NE-CB 3.31Å; R532-V572 HydrophobicContact CB-CG2 4Å; R532-V572 VanDerWaalsContact CD-CG2 3.48Å; R532-V572 HydrophobicContact CG-CG2 4.2Å
533	D	94.1	Very high	95.9	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.134	21%	0.213	C	C	.	.	S	Bend	trans	48.4	49.7	172.7	-167.8	35.6	0	0	0	113.7	A535 G536 P549	D533-A535 PolarHBondContact O-N 3.39Å; D533-G536 PolarHBondContact O-N 3.3Å; D533-G536 VanDerWaalsContact O-N 3.15Å; D533-G536 WeakPolarHBondContact OD1-CA 3.46Å; D533-P549 HydrophobicContact CB-CB 4.11Å; D533-P549 PolarHBondContact N-O 2.89Å
534	P	96	Very high	95.8	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	136.6	-178.5	31.8	-36.3	0	0	0	109.3	G509 V513 V530 G536	G509-P534 CarbonylContact C-O 3.59Å; G509-P534 WeakPolarHBondContact CA-O 3.15Å; V513-P534 HydrophobicContact CB-CB 4.1Å; V513-P534 HydrophobicContact CB-CG 4.01Å; V513-P534 HydrophobicContact CG1-CG 4.23Å; V513-P534 HydrophobicContact CG2-CB 3.63Å; V513-P534 HydrophobicContact CG2-CG 3.78Å; V530-P534 HydrophobicContact CG2-CB 3.98Å; V530-P534 HydrophobicContact CG2-CG 3.75Å; P534-G536 PolarHBondContact O-N 3.3Å
535	A	96.9	Very high	95.7	Very high	6 Å²	6	42.9 Å²	42.9	5%	0.05	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	13.9	-175.6	0	0	0	0	0	115.9	M505 Y507 G509 E512 D533	M505-A535 HydrophobicContact CE-CB 3.59Å; Y507-A535 CarbonylContact C-O 3.54Å; Y507-A535 VanDerWaalsContact CA-O 3.23Å; Y507-A535 WeakPolarHBondContact CA-O 3.16Å; G509-A535 PolarHBondContact N-O 3.28Å; G509-A535 VanDerWaalsContact N-O 3.09Å; E512-A535 HydrophobicContact CB-CB 4.04Å; E512-A535 HydrophobicContact CG-CB 3.96Å; D533-A535 PolarHBondContact O-N 3.39Å
536	G	96.2	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	26%	0.259	C	S	.	.			trans	-83.2	164.8	175.8	0	0	0	0	0	114.1	R431 D533 P534	R431-G536 PolarHBondContact NH1-O 3.49Å; R431-G536 PolarHBondContact NH2-O 3.19Å; D533-G536 PolarHBondContact O-N 3.3Å; D533-G536 VanDerWaalsContact O-N 3.15Å; D533-G536 WeakPolarHBondContact OD1-CA 3.46Å; P534-G536 PolarHBondContact O-N 3.3Å
537	M	95.7	Very high	95.7	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.079	25%	0.247	C	C	.	.			trans	-149.7	163.1	168.2	64.4	175.7	-70.3	0	0	109.5	P374 K469 Y507 P540 L546	P374-M537 HydrophobicContact CG-CE 4.28Å; P374-M537 HydrophobicContact CG-SD 4.22Å; K469-M537 HydrophobicContact CD-CE 4.31Å; Y507-M537 HydrophobicContact CD1-CB 4.26Å; Y507-M537 HydrophobicContact CD1-SD 4.24Å; Y507-M537 HydrophobicContact CG-SD 3.92Å; M537-P540 HydrophobicContact CE-CG 4.48Å; M537-L546 WeakPolarHBondContact O-CB 3.3Å; M537-L546 PolarHBondContact O-N 2.83Å
538	P	96.3	Very high	95.7	Very high	65 Å²	65	46.1 Å²	46.1	42%	0.422	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-62.2	140.9	169.2	-22.2	34.3	0	0	0	111.5	P540 K544	P538-P540 WeakPolarHBondContact O-CD 3.43Å; P538-K544 CarbonylContact C-O 3.3Å; P538-K544 WeakPolarHBondContact CA-O 3.35Å
539	H	96.8	Very high	95.4	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.185	27%	0.272	C	S	.	.			trans	-61.5	122.1	172.3	-175	-57.6	0	0	0	109.5	A541 T542 G543 K544 L546	H539-A541 VanDerWaalsContact C-N 3.34Å; H539-A541 PolarHBondContact ND1-N 3.3Å; H539-A541 VanDerWaalsContact ND1-N 3.16Å; H539-A541 PolarHBondContact O-N 3.41Å; H539-T542 WeakPolarHBondContact CB-OG1 3.48Å; H539-T542 PolarHBondContact O-N 2.95Å; H539-T542 VanDerWaalsContact O-N 3.15Å; H539-G543 PolarHBondContact O-N 3.21Å; H539-K544 WeakPolarHBondContact CB-O 3.37Å; H539-K544 PolarHBondContact N-O 2.96Å; H539-L546 HydrophobicContact CB-CB 4.49Å; H539-L546 HydrophobicContact CB-CD1 3.97Å; H539-L546 VanDerWaalsContact CD2-CD1 3.4Å; H539-L546 WeakPolarHBondContact CD2-CD1 3.35Å
540	P	95.1	Very high	95.2	Very high	50 Å²	50	48.6 Å²	48.6	33%	0.325	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-43.2	-172.3	-28.7	34.2	0	0	0	114.7	D372 H373 M537 P538	D372-P540 HydrophobicContact CB-CB 3.64Å; D372-P540 HydrophobicContact CB-CG 4.27Å; H373-P540 HydrophobicContact CB-CG 4.24Å; M537-P540 HydrophobicContact CE-CG 4.48Å; P538-P540 WeakPolarHBondContact O-CD 3.43Å
541	A	94.4	Very high	95.3	Very high	77 Å²	77	52.7 Å²	52.7	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-26	-178.7	0	0	0	0	0	115.7	H539	H539-A541 VanDerWaalsContact C-N 3.34Å; H539-A541 PolarHBondContact ND1-N 3.3Å; H539-A541 VanDerWaalsContact ND1-N 3.16Å; H539-A541 PolarHBondContact O-N 3.41Å
542	T	95.4	Very high	95.6	Very high	87 Å²	87	51.7 Å²	51.7	53%	0.534	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-16.6	-170.5	71.3	0	0	0	0	113.9	H539 K544	H539-T542 WeakPolarHBondContact CB-OG1 3.48Å; H539-T542 PolarHBondContact O-N 2.95Å; H539-T542 VanDerWaalsContact O-N 3.15Å; T542-K544 PolarHBondContact O-N 3.06Å; T542-K544 VanDerWaalsContact O-N 3.14Å; T542-K544 PolarHBondContact OG1-N 3.32Å
543	G	92.7	Very high	95.8	Very high	57 Å²	57	46.9 Å²	46.9	59%	0.588	28%	0.277	S	S	*	.			trans	70.8	-4	-176.5	0	0	0	0	0	115.3	H539	H539-G543 PolarHBondContact O-N 3.21Å
544	K	94.7	Very high	95.9	Very high	157 Å²	157	51.3 Å²	51.3	68%	0.683	30%	0.295	S	S	*	.	S	Bend	trans	-77.2	155.8	173.7	-65	-177.4	178.4	179.1	0	110.6	P538 H539 T542 L546	P538-K544 CarbonylContact C-O 3.3Å; P538-K544 WeakPolarHBondContact CA-O 3.35Å; H539-K544 WeakPolarHBondContact CB-O 3.37Å; H539-K544 PolarHBondContact N-O 2.96Å; T542-K544 PolarHBondContact O-N 3.06Å; T542-K544 VanDerWaalsContact O-N 3.14Å; T542-K544 PolarHBondContact OG1-N 3.32Å; K544-L546 PolarHBondContact O-N 2.76Å
545	D	95.8	Very high	96	Very high	69 Å²	69	51.8 Å²	51.8	37%	0.369	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-53.2	129.9	171.8	-67.6	-16.2	0	0	0	109.8	R532 Y547	R532-D545 IonicContact CZ-OD2 3.22Å; R532-D545 IonicContact NH1-OD2 2.71Å; R532-D545 PolarHBondContact NH1-OD2 2.72Å; R532-D545 IonicContact NH2-OD2 3.52Å; R532-D545 PolarHBondContact NH2-OD2 3.35Å; D545-Y547 PolarHBondContact O-N 2.89Å
546	L	97.7	Very high	96	Very high	29 Å²	29	51.6 Å²	51.6	15%	0.152	30%	0.295	C	S	.	.	S	Bend	trans	-66.8	-29.2	-177.9	-176	60.7	0	0	0	111.9	T368 M537 H539 K544	T368-L546 HydrophobicContact CG2-CD1 3.84Å; T368-L546 HydrophobicContact CG2-CD2 4.16Å; M537-L546 WeakPolarHBondContact O-CB 3.3Å; M537-L546 PolarHBondContact O-N 2.83Å; H539-L546 HydrophobicContact CB-CB 4.49Å; H539-L546 HydrophobicContact CB-CD1 3.97Å; H539-L546 VanDerWaalsContact CD2-CD1 3.4Å; H539-L546 WeakPolarHBondContact CD2-CD1 3.35Å; K544-L546 PolarHBondContact O-N 2.76Å
547	Y	98.1	Very high	95.9	Very high	27 Å²	27	55.8 Å²	55.8	11%	0.106	32%	0.321	C	S	.	.	S	Bend	trans	-121.9	152.9	-179.7	-54.7	-71.7	0	0	0	110.5	W366 A508 G509 P510 D545	W366-Y547 VanDerWaalsContact O-CE1 3.23Å; W366-Y547 WeakPolarHBondContact O-CE1 3.4Å; W366-Y547 PolarHBondContact O-OH 2.9Å; A508-Y547 WeakPolarHBondContact CA-OH 3.45Å; G509-Y547 VanDerWaalsContact CA-CD2 3.5Å; G509-Y547 VanDerWaalsContact CA-CE2 3.48Å; G509-Y547 VanDerWaalsContact N-CE2 3.34Å; P510-Y547 HydrophobicContact CG-CD1 4.39Å; D545-Y547 PolarHBondContact O-N 2.89Å
548	E	97.4	Very high	95.9	Very high	84 Å²	84	61.7 Å²	61.7	39%	0.393	35%	0.35	S	S	.	.			trans	-67.8	128.7	168.8	-165.4	-72	147.6	0	0	108.7	S550 H551	E548-S550 VanDerWaalsContact CD-OG 3.28Å; E548-S550 PolarHBondContact O-N 2.86Å; E548-S550 VanDerWaalsContact O-N 3.07Å; E548-S550 PolarHBondContact OE1-OG 2.76Å; E548-S550 VanDerWaalsContact OE2-CA 3.24Å; E548-S550 WeakPolarHBondContact OE2-CA 3.01Å; E548-S550 WeakPolarHBondContact OE2-CB 2.93Å; E548-S550 PolarHBondContact OE2-N 3.45Å; E548-S550 PolarHBondContact OE2-OG 3.03Å; E548-H551 WeakPolarHBondContact O-CB 3.45Å; E548-H551 PolarHBondContact O-N 3.39Å; E548-H551 IonicContact OE2-CD2 2.77Å; E548-H551 PolarHBondContact OE2-CD2 2.79Å; E548-H551 IonicContact OE2-CG 2.74Å; E548-H551 PolarHBondContact OE2-N 3.16Å; E548-H551 IonicContact OE2-NE2 2.76Å
549	P	93.8	Very high	95.9	Very high	26 Å²	26	59.3 Å²	59.3	17%	0.169	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.2	-165.8	-23.6	32.2	0	0	0	116.8	R532 D533	R532-P549 HydrophobicContact CG-CB 3.38Å; R532-P549 VanDerWaalsContact CZ-CB 3.46Å; R532-P549 VanDerWaalsContact NE-CB 3.31Å; D533-P549 HydrophobicContact CB-CB 4.11Å; D533-P549 PolarHBondContact N-O 2.89Å
550	S	94.3	Very high	95.8	Very high	36 Å²	36	60.5 Å²	60.5	25%	0.252	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-16.9	176.5	79.3	0	0	0	0	113.3	E548 G552 A553 K554	E548-S550 VanDerWaalsContact CD-OG 3.28Å; E548-S550 PolarHBondContact O-N 2.86Å; E548-S550 VanDerWaalsContact O-N 3.07Å; E548-S550 PolarHBondContact OE1-OG 2.76Å; E548-S550 VanDerWaalsContact OE2-CA 3.24Å; E548-S550 WeakPolarHBondContact OE2-CA 3.01Å; E548-S550 WeakPolarHBondContact OE2-CB 2.93Å; E548-S550 PolarHBondContact OE2-N 3.45Å; E548-S550 PolarHBondContact OE2-OG 3.03Å; S550-G552 VanDerWaalsContact C-N 3.32Å; S550-G552 PolarHBondContact O-N 3.39Å; S550-A553 PolarHBondContact O-N 2.81Å; S550-K554 WeakPolarHBondContact O-CG 3.3Å; S550-K554 PolarHBondContact O-N 3.46Å; S550-K554 VanDerWaalsContact O-N 3.16Å; S550-K554 WeakPolarHBondContact OG-CE 3.19Å; S550-K554 PolarHBondContact OG-NZ 2.95Å
551	H	97.9	Very high	95.6	Very high	89 Å²	89	58.6 Å²	58.6	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-40.6	-174.6	-76.9	-169.4	0	0	0	112.6	P510 E548 A553 K554 V555	P510-H551 HydrophobicContact CB-CB 4.41Å; P510-H551 HydrophobicContact CG-CB 3.58Å; E548-H551 WeakPolarHBondContact O-CB 3.45Å; E548-H551 PolarHBondContact O-N 3.39Å; E548-H551 IonicContact OE2-CD2 2.77Å; E548-H551 PolarHBondContact OE2-CD2 2.79Å; E548-H551 IonicContact OE2-CG 2.74Å; E548-H551 PolarHBondContact OE2-N 3.16Å; E548-H551 IonicContact OE2-NE2 2.76Å; H551-A553 PolarHBondContact O-N 3.01Å; H551-K554 PolarHBondContact O-N 3.4Å; H551-V555 WeakPolarHBondContact O-CB 3.45Å; H551-V555 VanDerWaalsContact O-CG2 3.28Å; H551-V555 WeakPolarHBondContact O-CG2 3.25Å; H551-V555 PolarHBondContact O-N 2.82Å
552	G	97.1	Very high	95.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-57.7	-48.1	-179.1	0	0	0	0	0	113	S550 L556	S550-G552 VanDerWaalsContact C-N 3.32Å; S550-G552 PolarHBondContact O-N 3.39Å; G552-L556 VanDerWaalsContact O-CB 3.28Å; G552-L556 WeakPolarHBondContact O-CB 3.26Å; G552-L556 PolarHBondContact O-N 3.3Å; G552-L556 VanDerWaalsContact O-N 3.1Å
553	A	95.5	Very high	95.1	Very high	19 Å²	19	57.5 Å²	57.5	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-43.4	177.5	0	0	0	0	0	112.3	V530 S550 H551 L556 T557 P569	V530-A553 HydrophobicContact CG1-CB 3.95Å; V530-A553 HydrophobicContact CG2-CB 4.36Å; S550-A553 PolarHBondContact O-N 2.81Å; H551-A553 PolarHBondContact O-N 3.01Å; A553-L556 PolarHBondContact O-N 2.93Å; A553-T557 WeakPolarHBondContact O-CG2 3.45Å; A553-T557 PolarHBondContact O-N 3.28Å; A553-T557 VanDerWaalsContact O-N 3.11Å; A553-T557 PolarHBondContact O-OG1 3.16Å; A553-P569 HydrophobicContact CB-CB 4.34Å
554	K	96.5	Very high	94.6	Very high	118 Å²	118	58 Å²	58	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-48.8	179.4	-73.4	171.5	176.2	164.9	0	112.2	S550 H551 L556 T557 M558	S550-K554 WeakPolarHBondContact O-CG 3.3Å; S550-K554 PolarHBondContact O-N 3.46Å; S550-K554 VanDerWaalsContact O-N 3.16Å; S550-K554 WeakPolarHBondContact OG-CE 3.19Å; S550-K554 PolarHBondContact OG-NZ 2.95Å; H551-K554 PolarHBondContact O-N 3.4Å; K554-L556 VanDerWaalsContact C-N 3.32Å; K554-L556 PolarHBondContact O-N 2.96Å; K554-T557 PolarHBondContact O-N 3.29Å; K554-T557 PolarHBondContact O-OG1 3.31Å; K554-M558 WeakPolarHBondContact O-CG 3.34Å
555	V	97.6	Very high	94.5	Very high	33 Å²	33	51.5 Å²	51.5	20%	0.2	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-46.7	177.3	170.2	0	0	0	0	109.9	P510 Q514 H551 T557 M558 A559	P510-V555 HydrophobicContact CB-CB 4.29Å; P510-V555 HydrophobicContact CB-CG2 4.04Å; Q514-V555 HydrophobicContact CG-CG1 4.16Å; H551-V555 WeakPolarHBondContact O-CB 3.45Å; H551-V555 VanDerWaalsContact O-CG2 3.28Å; H551-V555 WeakPolarHBondContact O-CG2 3.25Å; H551-V555 PolarHBondContact O-N 2.82Å; V555-T557 VanDerWaalsContact C-N 3.3Å; V555-T557 PolarHBondContact O-N 3.16Å; V555-M558 HydrophobicContact CB-CE 4.47Å; V555-M558 HydrophobicContact CG2-CE 4.02Å; V555-M558 CarbonylContact O-C 3.56Å; V555-M558 WeakPolarHBondContact O-CG 3.44Å; V555-M558 PolarHBondContact O-N 3.05Å; V555-M558 VanDerWaalsContact O-N 3.08Å; V555-A559 WeakPolarHBondContact O-CB 3.2Å; V555-A559 PolarHBondContact O-N 3.44Å
556	L	96.8	Very high	94.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-35.4	-177.3	-157	67.2	0	0	0	113.4	V513 Q514 C517 Y528 V530 G552 A553 K554 M558 L562 I567	V513-L556 HydrophobicContact CG1-CD1 4.4Å; V513-L556 HydrophobicContact CG2-CD2 4.2Å; Q514-L556 HydrophobicContact CB-CD1 4.35Å; Q514-L556 HydrophobicContact CG-CD1 4.02Å; C517-L556 HydrophobicContact CB-CD1 3.6Å; C517-L556 HydrophobicContact CB-CD2 4.04Å; C517-L556 HydrophobicContact CB-CG 4.3Å; Y528-L556 HydrophobicContact CD1-CD2 3.61Å; Y528-L556 HydrophobicContact CE1-CD2 3.8Å; V530-L556 HydrophobicContact CB-CD2 4.28Å; V530-L556 HydrophobicContact CG1-CD2 4.39Å; V530-L556 HydrophobicContact CG2-CD2 4.41Å; G552-L556 VanDerWaalsContact O-CB 3.28Å; G552-L556 WeakPolarHBondContact O-CB 3.26Å; G552-L556 PolarHBondContact O-N 3.3Å; G552-L556 VanDerWaalsContact O-N 3.1Å; A553-L556 PolarHBondContact O-N 2.93Å; K554-L556 VanDerWaalsContact C-N 3.32Å; K554-L556 PolarHBondContact O-N 2.96Å; L556-M558 VanDerWaalsContact C-N 3.25Å; L556-M558 PolarHBondContact O-N 2.72Å; L556-L562 HydrophobicContact CD1-CD1 3.62Å; L556-L562 HydrophobicContact CG-CD1 4.13Å; L556-I567 HydrophobicContact CD2-CD1 3.61Å; L556-I567 HydrophobicContact CD2-CG1 4.32Å; L556-I567 HydrophobicContact CD2-CG2 4.09Å; L556-I567 HydrophobicContact CG-CD1 3.59Å; L556-I567 HydrophobicContact CG-CG1 4.09Å; L556-I567 HydrophobicContact CG-CG2 4.5Å
557	T	94.3	Very high	94.5	Very high	89 Å²	89	51.7 Å²	51.7	55%	0.546	29%	0.286	S	S	.	.	H	α-helix	trans	-70.1	-18	177.3	52	0	0	0	0	114.6	A553 K554 V555 I567	A553-T557 WeakPolarHBondContact O-CG2 3.45Å; A553-T557 PolarHBondContact O-N 3.28Å; A553-T557 VanDerWaalsContact O-N 3.11Å; A553-T557 PolarHBondContact O-OG1 3.16Å; K554-T557 PolarHBondContact O-N 3.29Å; K554-T557 PolarHBondContact O-OG1 3.31Å; V555-T557 VanDerWaalsContact C-N 3.3Å; V555-T557 PolarHBondContact O-N 3.16Å; T557-I567 HydrophobicContact CG2-CB 4.02Å; T557-I567 HydrophobicContact CG2-CG1 4.4Å; T557-I567 HydrophobicContact CG2-CG2 3.96Å
558	M	95.5	Very high	94.4	Very high	140 Å²	140	51 Å²	51	69%	0.69	29%	0.285	S	S	*	.	H	α-helix	trans	-116.9	1.8	-179.9	67.3	-173.8	178.9	0	0	113.2	K554 V555 L556	K554-M558 WeakPolarHBondContact O-CG 3.34Å; V555-M558 HydrophobicContact CB-CE 4.47Å; V555-M558 HydrophobicContact CG2-CE 4.02Å; V555-M558 CarbonylContact O-C 3.56Å; V555-M558 WeakPolarHBondContact O-CG 3.44Å; V555-M558 PolarHBondContact O-N 3.05Å; V555-M558 VanDerWaalsContact O-N 3.08Å; L556-M558 VanDerWaalsContact C-N 3.25Å; L556-M558 PolarHBondContact O-N 2.72Å
559	A	96.3	Very high	94.2	Very high	15 Å²	15	50 Å²	50	12%	0.124	29%	0.286	C	S	.	.			trans	-69.1	127.8	-175.4	0	0	0	0	0	110.6	Q514 V555 L562	Q514-A559 HydrophobicContact CG-CB 4.19Å; V555-A559 WeakPolarHBondContact O-CB 3.2Å; V555-A559 PolarHBondContact O-N 3.44Å; A559-L562 HydrophobicContact CB-CD1 3.89Å; A559-L562 HydrophobicContact CB-CG 4.38Å
560	P	94.4	Very high	94.1	Very high	65 Å²	65	49.8 Å²	49.8	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	153.2	176.3	25	-32.1	0	0	0	111.7	C305 V311 N313 L562	C305-P560 VanDerWaalsContact SG-CG 3.56Å; V311-P560 HydrophobicContact CG1-CB 3.89Å; N313-P560 VanDerWaalsContact CB-O 3.29Å; N313-P560 WeakPolarHBondContact CB-O 3.42Å; N313-P560 PolarHBondContact ND2-O 3.15Å; P560-L562 VanDerWaalsContact C-N 3.32Å; P560-L562 PolarHBondContact O-N 2.94Å
561	G	91.4	Very high	93.7	Very high	10 Å²	10	55.7 Å²	55.7	10%	0.103	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-12.5	176.5	0	0	0	0	0	115.8	Y242 V563	Y242-G561 WeakPolarHBondContact CE2-O 3.23Å; Y242-G561 PolarHBondContact OH-O 3.09Å; G561-V563 PolarHBondContact O-N 2.91Å
562	L	93.5	Very high	93.2	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.11	30%	0.297	C	S	.	.			trans	-83.1	58.6	177.9	-59	-176.6	0	0	0	112.6	N313 R518 M521 L556 A559 P560	N313-L562 HydrophobicContact CB-CD2 3.88Å; N313-L562 HydrophobicContact CB-CG 4.35Å; R518-L562 HydrophobicContact CB-CD2 3.77Å; M521-L562 HydrophobicContact CE-CD2 4.32Å; M521-L562 HydrophobicContact SD-CD2 4.34Å; L556-L562 HydrophobicContact CD1-CD1 3.62Å; L556-L562 HydrophobicContact CG-CD1 4.13Å; A559-L562 HydrophobicContact CB-CD1 3.89Å; A559-L562 HydrophobicContact CB-CG 4.38Å; P560-L562 VanDerWaalsContact C-N 3.32Å; P560-L562 PolarHBondContact O-N 2.94Å
563	V	85.6	Confident	93	Very high	120 Å²	120	54.7 Å²	54.7	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.7	-165.9	-63.5	0	0	0	0	115.4	G561	G561-V563 PolarHBondContact O-N 2.91Å
564	S	83.2	Confident	92.9	Very high	67 Å²	67	53.9 Å²	53.9	47%	0.469	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	17	-170	68.6	0	0	0	0	114.1	M521	M521-S564 WeakPolarHBondContact CG-OG 3.49Å; M521-S564 PolarHBondContact SD-OG 2.76Å; M521-S564 VanDerWaalsContact SD-OG 3.39Å
565	L	91.8	Very high	92.8	Very high	22 Å²	22	49.4 Å²	49.4	12%	0.115	28%	0.279	C	S	.	.			trans	-140.7	157.1	173.1	65.9	78	0	0	0	112.2	C517 M521 N526 I567	C517-L565 VanDerWaalsContact SG-CD2 3.54Å; M521-L565 HydrophobicContact CB-CD2 3.42Å; M521-L565 VanDerWaalsContact CB-CD2 3.42Å; M521-L565 HydrophobicContact CB-CG 4.37Å; M521-L565 HydrophobicContact CG-CB 4.35Å; M521-L565 HydrophobicContact CG-CD2 3.6Å; M521-L565 HydrophobicContact CG-CG 4.01Å; M521-L565 HydrophobicContact SD-CD2 3.94Å; M521-L565 HydrophobicContact SD-CG 3.93Å; N526-L565 CarbonylContact O-C 3.55Å; N526-L565 WeakPolarHBondContact O-CA 3.45Å; N526-L565 WeakPolarHBondContact O-CB 3.1Å; L565-I567 HydrophobicContact CD1-CD1 3.3Å; L565-I567 HydrophobicContact CD1-CG1 4.34Å
566	E	96.9	Very high	92.7	Very high	79 Å²	79	48.1 Å²	48.1	37%	0.369	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.1	172	-178.1	-177.9	149.7	0	0	110.3	R452 N526 F527 Y528	R452-E566 IonicContact CZ-OE1 3.9Å; R452-E566 VanDerWaalsContact CZ-OE1 3.3Å; R452-E566 IonicContact CZ-OE2 3.76Å; R452-E566 IonicContact NH1-OE1 3.83Å; R452-E566 PolarHBondContact NH1-OE1 2.88Å; R452-E566 IonicContact NH1-OE2 3.61Å; R452-E566 PolarHBondContact NH1-OE2 2.96Å; R452-E566 IonicContact NH2-OE1 3.82Å; R452-E566 PolarHBondContact NH2-OE1 2.92Å; R452-E566 IonicContact NH2-OE2 3.68Å; N526-E566 PolarHBondContact O-N 2.76Å; F527-E566 CarbonylContact C-O 3.56Å; F527-E566 VanDerWaalsContact CA-O 3.32Å; F527-E566 WeakPolarHBondContact CA-O 3.25Å; F527-E566 HydrophobicContact CD1-CB 3.8Å; F527-E566 HydrophobicContact CD1-CG 4.37Å; F527-E566 HydrophobicContact CE1-CB 3.94Å; F527-E566 HydrophobicContact CE1-CG 4.46Å; F527-E566 WeakPolarHBondContact CE1-OE2 3.47Å; Y528-E566 PolarHBondContact N-O 3.27Å
567	I	97.4	Very high	92.6	Very high	23 Å²	23	53.8 Å²	53.8	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.7	174.3	-52.5	-52.8	0	0	0	109.5	V530 L556 T557 L565 P569	V530-I567 HydrophobicContact CG1-CG2 3.5Å; V530-I567 VanDerWaalsContact CG1-CG2 3.5Å; L556-I567 HydrophobicContact CD2-CD1 3.61Å; L556-I567 HydrophobicContact CD2-CG1 4.32Å; L556-I567 HydrophobicContact CD2-CG2 4.09Å; L556-I567 HydrophobicContact CG-CD1 3.59Å; L556-I567 HydrophobicContact CG-CG1 4.09Å; L556-I567 HydrophobicContact CG-CG2 4.5Å; T557-I567 HydrophobicContact CG2-CB 4.02Å; T557-I567 HydrophobicContact CG2-CG1 4.4Å; T557-I567 HydrophobicContact CG2-CG2 3.96Å; L565-I567 HydrophobicContact CD1-CD1 3.3Å; L565-I567 HydrophobicContact CD1-CG1 4.34Å; I567-P569 WeakPolarHBondContact O-CD 3.26Å
568	V	95.8	Very high	92.6	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	87.8	176.7	-167.9	0	0	0	0	108.7	T445 F527 Y528 V530 F570	T445-V568 HydrophobicContact CG2-CG1 4.41Å; T445-V568 HydrophobicContact CG2-CG2 4.45Å; F527-V568 HydrophobicContact CB-CG2 4.04Å; F527-V568 HydrophobicContact CD1-CG2 4.08Å; Y528-V568 PolarHBondContact O-N 2.93Å; V530-V568 PolarHBondContact N-O 3.49Å; V530-V568 VanDerWaalsContact N-O 3.07Å; V568-F570 HydrophobicContact CB-CE2 4.29Å; V568-F570 HydrophobicContact CG1-CD2 4.26Å; V568-F570 HydrophobicContact CG1-CE2 3.47Å; V568-F570 VanDerWaalsContact CG1-CE2 3.47Å; V568-F570 HydrophobicContact CG1-CZ 3.94Å; V568-F570 WeakPolarHBondContact O-CD2 3.43Å
569	P	92.7	Very high	92.5	Very high	65 Å²	65	54.4 Å²	54.4	42%	0.422	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.5	-178.6	32.3	-35.4	0	0	0	111.3	V530 A553 I567	V530-P569 HydrophobicContact CG1-CB 4.14Å; V530-P569 WeakPolarHBondContact O-CA 3.44Å; A553-P569 HydrophobicContact CB-CB 4.34Å; I567-P569 WeakPolarHBondContact O-CD 3.26Å
570	F	91	Very high	92.4	Very high	20 Å²	20	55.3 Å²	55.3	9%	0.088	31%	0.307	C	S	.	.			trans	-124.4	148.6	175.2	-75.4	-88.9	0	0	0	112.6	L441 D444 T445 I529 V530 V568 F584	L441-F570 HydrophobicContact CB-CD2 4.24Å; L441-F570 HydrophobicContact CB-CE2 4.33Å; L441-F570 HydrophobicContact CB-CG 4.36Å; L441-F570 HydrophobicContact CD1-CB 4.27Å; L441-F570 HydrophobicContact CD1-CD1 4.48Å; L441-F570 HydrophobicContact CD1-CG 4.39Å; L441-F570 HydrophobicContact CD2-CB 3.62Å; L441-F570 HydrophobicContact CD2-CD2 3.97Å; L441-F570 HydrophobicContact CD2-CG 3.88Å; L441-F570 HydrophobicContact CG-CB 3.67Å; L441-F570 HydrophobicContact CG-CD1 3.88Å; L441-F570 HydrophobicContact CG-CD2 3.78Å; L441-F570 HydrophobicContact CG-CE1 4.41Å; L441-F570 HydrophobicContact CG-CE2 4.33Å; L441-F570 HydrophobicContact CG-CG 3.51Å; L441-F570 WeakPolarHBondContact O-CZ 3.23Å; D444-F570 HydrophobicContact CB-CE1 4.01Å; D444-F570 HydrophobicContact CB-CZ 4.3Å; D444-F570 WeakPolarHBondContact OD2-CE1 3.4Å; T445-F570 WeakPolarHBondContact OG1-CE2 3.39Å; T445-F570 WeakPolarHBondContact OG1-CZ 3.46Å; I529-F570 HydrophobicContact CG1-CE2 4.49Å; I529-F570 HydrophobicContact CG2-CD2 3.82Å; I529-F570 HydrophobicContact CG2-CE2 3.9Å; V530-F570 PolarHBondContact O-N 3.01Å; V568-F570 HydrophobicContact CB-CE2 4.29Å; V568-F570 HydrophobicContact CG1-CD2 4.26Å; V568-F570 HydrophobicContact CG1-CE2 3.47Å; V568-F570 VanDerWaalsContact CG1-CE2 3.47Å; V568-F570 HydrophobicContact CG1-CZ 3.94Å; V568-F570 WeakPolarHBondContact O-CD2 3.43Å; F570-F584 AromaticContact CD1-CE1 3.49Å; F570-F584 HydrophobicContact CD1-CE1 3.49Å; F570-F584 VanDerWaalsContact CD1-CE1 3.49Å; F570-F584 AromaticContact CD1-CZ 3.6Å; F570-F584 HydrophobicContact CD1-CZ 3.6Å; F570-F584 HydrophobicContact CE1-CE1 4.11Å; F570-F584 AromaticContact CE1-CZ 3.72Å; F570-F584 HydrophobicContact CE1-CZ 3.72Å; F570-F584 HydrophobicContact CG-CE1 4.43Å
571	K	86.3	Confident	92.5	Very high	161 Å²	161	54.1 Å²	54.1	70%	0.7	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-71.6	169.6	165.8	-63.6	-179.4	-176.6	174.8	0	109.8	A573	K571-A573 PolarHBondContact O-N 3.01Å
572	V	88.1	Confident	92.6	Very high	46 Å²	46	54.6 Å²	54.6	28%	0.279	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-59.9	132.5	175	-170.4	0	0	0	0	110	R532 Y585 F595	R532-V572 HydrophobicContact CB-CG2 4Å; R532-V572 VanDerWaalsContact CD-CG2 3.48Å; R532-V572 HydrophobicContact CG-CG2 4.2Å; V572-Y585 WeakPolarHBondContact O-CB 3.47Å; V572-Y585 PolarHBondContact O-N 3.24Å; V572-F595 HydrophobicContact CG1-CE1 3.91Å
573	A	91.9	Very high	92.7	Very high	22 Å²	22	54.9 Å²	54.9	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.1	166.8	0	0	0	0	0	109.3	L440 L441 K571 M582 D583	L440-A573 HydrophobicContact CD2-CB 4.21Å; L441-A573 HydrophobicContact CD1-CB 3.96Å; K571-A573 PolarHBondContact O-N 3.01Å; A573-M582 HydrophobicContact CB-CE 4.5Å; A573-D583 CarbonylContact C-O 3.55Å; A573-D583 VanDerWaalsContact CA-O 3.29Å; A573-D583 WeakPolarHBondContact CA-O 3.24Å
574	A	93	Very high	93.1	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	164.7	179.8	0	0	0	0	0	110.3	N576 D583 Y593 F595	A574-N576 PolarHBondContact O-N 3.21Å; A574-D583 PolarHBondContact N-O 2.99Å; A574-D583 PolarHBondContact O-N 3.5Å; A574-Y593 HydrophobicContact CB-CD1 3.86Å; A574-Y593 HydrophobicContact CB-CG 4.44Å; A574-F595 HydrophobicContact CB-CD1 3.89Å; A574-F595 HydrophobicContact CB-CE1 3.66Å; A574-F595 HydrophobicContact CB-CE2 4.48Å; A574-F595 HydrophobicContact CB-CG 4.41Å; A574-F595 HydrophobicContact CB-CZ 3.99Å
575	Y	94.9	Very high	93.5	Very high	24 Å²	24	51 Å²	51	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.9	-179	-177.3	-100.9	0	0	0	109.8	K577 G580 M582 Y593 D594 P612 D613 F615	Y575-K577 HydrophobicContact CD1-CG 4.24Å; Y575-K577 HydrophobicContact CE1-CG 4.33Å; Y575-G580 WeakPolarHBondContact OH-CA 3.39Å; Y575-M582 VanDerWaalsContact CA-SD 3.57Å; Y575-M582 HydrophobicContact CD2-SD 4.12Å; Y575-M582 HydrophobicContact CG-SD 4.47Å; Y575-Y593 CarbonylContact O-C 3.53Å; Y575-Y593 WeakPolarHBondContact O-CA 3.26Å; Y575-D594 HydrophobicContact CD1-CB 4.32Å; Y575-D594 PolarHBondContact N-O 3.01Å; Y575-D594 VanDerWaalsContact N-O 3.16Å; Y575-D594 PolarHBondContact O-N 3.36Å; Y575-P612 HydrophobicContact CD1-CB 4.02Å; Y575-P612 HydrophobicContact CD1-CG 4.23Å; Y575-P612 HydrophobicContact CD2-CB 4.4Å; Y575-P612 HydrophobicContact CE1-CB 3.45Å; Y575-P612 VanDerWaalsContact CE1-CB 3.45Å; Y575-P612 HydrophobicContact CE1-CG 4.04Å; Y575-P612 HydrophobicContact CE2-CB 3.89Å; Y575-P612 HydrophobicContact CG-CB 4.45Å; Y575-D613 WeakPolarHBondContact CE2-O 3.47Å; Y575-D613 PolarHBondContact OH-O 3.01Å; Y575-F615 HydrophobicContact CD2-CB 4.37Å
576	N	96.1	Very high	93.4	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.032	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.1	176.5	-175.8	-41.5	0	0	0	109.3	A574 V578 K579 G580 A581 D583 Y593	A574-N576 PolarHBondContact O-N 3.21Å; N576-V578 VanDerWaalsContact C-N 3.26Å; N576-V578 PolarHBondContact O-N 2.92Å; N576-V578 WeakPolarHBondContact OD1-CB 3.31Å; N576-V578 PolarHBondContact OD1-N 2.72Å; N576-K579 HydrophobicContact CB-CB 4.14Å; N576-K579 HydrophobicContact CB-CD 4.43Å; N576-K579 HydrophobicContact CB-CG 4.4Å; N576-K579 PolarHBondContact O-N 3.11Å; N576-K579 PolarHBondContact OD1-N 3.32Å; N576-G580 PolarHBondContact O-N 3.17Å; N576-A581 PolarHBondContact N-O 2.9Å; N576-A581 PolarHBondContact O-N 2.91Å; N576-D583 HydrophobicContact CB-CB 3.88Å; N576-Y593 HydrophobicContact CB-CD1 4.18Å; N576-Y593 HydrophobicContact CB-CE1 3.93Å
577	K	94.9	Very high	93.1	Very high	120 Å²	120	55.6 Å²	55.6	52%	0.522	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.1	-176.7	-65.3	176.6	-67.6	-176.4	0	113	Y575 Q591 D592 D594	Y575-K577 HydrophobicContact CD1-CG 4.24Å; Y575-K577 HydrophobicContact CE1-CG 4.33Å; K577-Q591 WeakPolarHBondContact CE-O 3.29Å; K577-Q591 PolarHBondContact NZ-O 3.42Å; K577-D592 WeakPolarHBondContact CB-O 3.24Å; K577-D592 WeakPolarHBondContact CE-O 3.48Å; K577-D592 PolarHBondContact N-O 3.4Å; K577-D594 HydrophobicContact CD-CB 4.33Å; K577-D594 HydrophobicContact CG-CB 4.24Å
578	V	94	Very high	92.9	Very high	111 Å²	111	63.9 Å²	63.9	67%	0.673	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-39.8	179	-178.1	0	0	0	0	110.4	N576 D592	N576-V578 VanDerWaalsContact C-N 3.26Å; N576-V578 PolarHBondContact O-N 2.92Å; N576-V578 WeakPolarHBondContact OD1-CB 3.31Å; N576-V578 PolarHBondContact OD1-N 2.72Å; V578-D592 HydrophobicContact CG2-CB 4.03Å
579	K	93.9	Very high	92.8	Very high	132 Å²	132	66.2 Å²	66.2	57%	0.574	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.6	179.4	-64.7	-177.3	179.1	178	0	113.7	N576 A581 D583	N576-K579 HydrophobicContact CB-CB 4.14Å; N576-K579 HydrophobicContact CB-CD 4.43Å; N576-K579 HydrophobicContact CB-CG 4.4Å; N576-K579 PolarHBondContact O-N 3.11Å; N576-K579 PolarHBondContact OD1-N 3.32Å; K579-A581 VanDerWaalsContact C-N 3.26Å; K579-A581 PolarHBondContact O-N 3.26Å; K579-D583 HydrophobicContact CD-CB 4.47Å; K579-D583 WeakPolarHBondContact CD-OD2 3.3Å; K579-D583 WeakPolarHBondContact CE-OD2 3.47Å; K579-D583 IonicContact NZ-OD1 3.99Å; K579-D583 IonicContact NZ-OD2 2.95Å; K579-D583 PolarHBondContact NZ-OD2 3.47Å
580	G	94.1	Very high	92.8	Very high	34 Å²	34	68.2 Å²	68.2	35%	0.351	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	30.1	-174.1	0	0	0	0	0	113.1	Y575 N576	Y575-G580 WeakPolarHBondContact OH-CA 3.39Å; N576-G580 PolarHBondContact O-N 3.17Å
581	A	95.1	Very high	92.9	Very high	39 Å²	39	74.2 Å²	74.2	32%	0.322	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.5	-173.1	0	0	0	0	0	112	N576 K579	N576-A581 PolarHBondContact N-O 2.9Å; N576-A581 PolarHBondContact O-N 2.91Å; K579-A581 VanDerWaalsContact C-N 3.26Å; K579-A581 PolarHBondContact O-N 3.26Å
582	M	95.1	Very high	93.3	Very high	20 Å²	20	68.6 Å²	68.6	10%	0.099	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.5	170.7	-65.1	-62.8	-63.8	0	0	110.7	N436 A573 Y575 F615	N436-M582 HydrophobicContact CB-CB 4.23Å; N436-M582 HydrophobicContact CB-CG 3.66Å; A573-M582 HydrophobicContact CB-CE 4.5Å; Y575-M582 VanDerWaalsContact CA-SD 3.57Å; Y575-M582 HydrophobicContact CD2-SD 4.12Å; Y575-M582 HydrophobicContact CG-SD 4.47Å; M582-F615 HydrophobicContact SD-CD2 3.71Å; M582-F615 HydrophobicContact SD-CE2 4.28Å
583	D	95.1	Very high	93.6	Very high	28 Å²	28	67 Å²	67	15%	0.15	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.6	-175.7	-167.7	20.7	0	0	0	111.2	A573 A574 N576 K579 Y585 Y593	A573-D583 CarbonylContact C-O 3.55Å; A573-D583 VanDerWaalsContact CA-O 3.29Å; A573-D583 WeakPolarHBondContact CA-O 3.24Å; A574-D583 PolarHBondContact N-O 2.99Å; A574-D583 PolarHBondContact O-N 3.5Å; N576-D583 HydrophobicContact CB-CB 3.88Å; K579-D583 HydrophobicContact CD-CB 4.47Å; K579-D583 WeakPolarHBondContact CD-OD2 3.3Å; K579-D583 WeakPolarHBondContact CE-OD2 3.47Å; K579-D583 IonicContact NZ-OD1 3.99Å; K579-D583 IonicContact NZ-OD2 2.95Å; K579-D583 PolarHBondContact NZ-OD2 3.47Å; D583-Y585 PolarHBondContact O-N 3.28Å; D583-Y593 HydrophobicContact CB-CE1 4.19Å; D583-Y593 PolarHBondContact OD2-OH 3.3Å
584	F	93.1	Very high	93.7	Very high	48 Å²	48	67.6 Å²	67.6	21%	0.211	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.2	176.8	-65.7	-63.3	0	0	0	110.7	L440 L441 D444 F570 E586 Y593	L440-F584 HydrophobicContact CD1-CE2 4.41Å; L440-F584 HydrophobicContact CD2-CD1 4.27Å; L440-F584 HydrophobicContact CD2-CD2 4.29Å; L440-F584 HydrophobicContact CD2-CE1 4.09Å; L440-F584 HydrophobicContact CD2-CE2 4.12Å; L440-F584 HydrophobicContact CD2-CG 4.37Å; L440-F584 HydrophobicContact CD2-CZ 4.01Å; L440-F584 HydrophobicContact CG-CE1 4.29Å; L440-F584 HydrophobicContact CG-CE2 4.16Å; L440-F584 HydrophobicContact CG-CZ 3.88Å; L441-F584 HydrophobicContact CD1-CE1 3.9Å; D444-F584 HydrophobicContact CB-CZ 4.29Å; F570-F584 AromaticContact CD1-CE1 3.49Å; F570-F584 HydrophobicContact CD1-CE1 3.49Å; F570-F584 VanDerWaalsContact CD1-CE1 3.49Å; F570-F584 AromaticContact CD1-CZ 3.6Å; F570-F584 HydrophobicContact CD1-CZ 3.6Å; F570-F584 HydrophobicContact CE1-CE1 4.11Å; F570-F584 AromaticContact CE1-CZ 3.72Å; F570-F584 HydrophobicContact CE1-CZ 3.72Å; F570-F584 HydrophobicContact CG-CE1 4.43Å; F584-E586 PolarHBondContact O-N 3.14Å; F584-Y593 PolarHBondContact O-OH 3.35Å
585	Y	91.9	Very high	93.6	Very high	58 Å²	58	71.9 Å²	71.9	23%	0.227	36%	0.361	C	S	.	.			trans	-61	130.9	-176	174	-108.3	0	0	0	112.9	V572 D583 P587 H590 Y593 F595	V572-Y585 WeakPolarHBondContact O-CB 3.47Å; V572-Y585 PolarHBondContact O-N 3.24Å; D583-Y585 PolarHBondContact O-N 3.28Å; Y585-P587 HydrophobicContact CD1-CG 4.45Å; Y585-P587 HydrophobicContact CE1-CB 4.34Å; Y585-P587 HydrophobicContact CE1-CG 3.89Å; Y585-H590 HydrophobicContact CE2-CB 4.47Å; Y585-H590 AromaticContact CE2-ND1 3.62Å; Y585-H590 AromaticContact CZ-ND1 3.66Å; Y585-H590 PolarHBondContact OH-ND1 3.49Å; Y585-Y593 HydrophobicContact CD2-CD1 4.3Å; Y585-Y593 AromaticContact CD2-CD2 3.72Å; Y585-Y593 HydrophobicContact CD2-CD2 3.72Å; Y585-Y593 HydrophobicContact CD2-CE2 4.22Å; Y585-Y593 AromaticContact CD2-CG 3.79Å; Y585-Y593 HydrophobicContact CD2-CG 3.79Å; Y585-Y593 HydrophobicContact CE2-CD2 4.08Å; Y585-Y593 HydrophobicContact CE2-CG 4.37Å; Y585-F595 HydrophobicContact CD2-CE1 4.5Å; Y585-F595 HydrophobicContact CD2-CE2 4.08Å; Y585-F595 AromaticContact CD2-CZ 3.48Å; Y585-F595 HydrophobicContact CD2-CZ 3.48Å; Y585-F595 VanDerWaalsContact CD2-CZ 3.48Å; Y585-F595 AromaticContact CE2-CE2 3.94Å; Y585-F595 HydrophobicContact CE2-CE2 3.94Å; Y585-F595 AromaticContact CE2-CZ 3.66Å; Y585-F595 HydrophobicContact CE2-CZ 3.66Å; Y585-F595 AromaticContact CG-CZ 3.98Å; Y585-F595 HydrophobicContact CG-CZ 3.98Å
586	E	91	Very high	93.2	Very high	99 Å²	99	71.8 Å²	71.8	46%	0.463	36%	0.361	S	S	.	.			trans	-118.5	116	175.6	-68.3	-174.2	168.2	0	0	110.6	F584 K588 N589 Y593	F584-E586 PolarHBondContact O-N 3.14Å; E586-K588 PolarHBondContact O-N 3.48Å; E586-K588 VanDerWaalsContact O-N 3.11Å; E586-N589 HydrophobicContact CB-CB 4.48Å; E586-N589 CarbonylContact O-C 3.59Å; E586-N589 PolarHBondContact O-N 2.91Å; E586-N589 PolarHBondContact OE2-ND2 3.07Å; E586-Y593 HydrophobicContact CB-CE2 4.27Å
587	P	90.5	Very high	92.6	Very high	97 Å²	97	74.4 Å²	74.4	63%	0.63	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-57.5	-31.2	-176.9	-26.8	33.5	0	0	0	114.7	Y585 N589 H590	Y585-P587 HydrophobicContact CD1-CG 4.45Å; Y585-P587 HydrophobicContact CE1-CB 4.34Å; Y585-P587 HydrophobicContact CE1-CG 3.89Å; P587-N589 PolarHBondContact O-N 3.38Å; P587-H590 PolarHBondContact O-N 3.4Å
588	K	93.3	Very high	92	Very high	197 Å²	197	70.5 Å²	70.5	86%	0.857	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.7	-25.3	179.2	-62.6	-174.9	-178.4	-179.5	0	112.7	E586	E586-K588 PolarHBondContact O-N 3.48Å; E586-K588 VanDerWaalsContact O-N 3.11Å
589	N	92.8	Very high	91.5	Very high	61 Å²	61	70.2 Å²	70.2	33%	0.326	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-115.4	31.4	-175	-62	-29.9	0	0	0	110.8	E586 P587 Q591 D592 Y593	E586-N589 HydrophobicContact CB-CB 4.48Å; E586-N589 CarbonylContact O-C 3.59Å; E586-N589 PolarHBondContact O-N 2.91Å; E586-N589 PolarHBondContact OE2-ND2 3.07Å; P587-N589 PolarHBondContact O-N 3.38Å; N589-Q591 PolarHBondContact O-N 2.83Å; N589-Q591 VanDerWaalsContact O-N 3.1Å; N589-D592 WeakPolarHBondContact O-CB 3.46Å; N589-D592 PolarHBondContact O-N 3.39Å; N589-Y593 HydrophobicContact CB-CE2 4.17Å; N589-Y593 VanDerWaalsContact O-CD2 3.25Å; N589-Y593 WeakPolarHBondContact O-CD2 3.21Å
590	H	92.2	Very high	91.3	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.495	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-50	-42.1	-172.1	177.8	74.7	0	0	0	113.7	Y585 P587 D592 Y593	Y585-H590 HydrophobicContact CE2-CB 4.47Å; Y585-H590 AromaticContact CE2-ND1 3.62Å; Y585-H590 AromaticContact CZ-ND1 3.66Å; Y585-H590 PolarHBondContact OH-ND1 3.49Å; P587-H590 PolarHBondContact O-N 3.4Å; H590-D592 PolarHBondContact O-N 3.34Å; H590-D592 VanDerWaalsContact O-N 3.13Å; H590-Y593 PolarHBondContact O-N 3.01Å; H590-Y593 VanDerWaalsContact O-N 3.11Å
591	Q	94.1	Very high	91	Very high	146 Å²	146	66.6 Å²	66.6	68%	0.682	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-60.1	-20.6	-179.8	67.9	-151.3	16.6	0	0	114.6	K577 N589 Y593	K577-Q591 WeakPolarHBondContact CE-O 3.29Å; K577-Q591 PolarHBondContact NZ-O 3.42Å; N589-Q591 PolarHBondContact O-N 2.83Å; N589-Q591 VanDerWaalsContact O-N 3.1Å; Q591-Y593 VanDerWaalsContact C-N 3.35Å
592	D	95	Very high	90.5	Very high	42 Å²	42	66.8 Å²	66.8	23%	0.225	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-83.4	-14.8	-179.1	-60.7	-18.7	0	0	0	112.1	K577 V578 N589 H590	K577-D592 WeakPolarHBondContact CB-O 3.24Å; K577-D592 WeakPolarHBondContact CE-O 3.48Å; K577-D592 PolarHBondContact N-O 3.4Å; V578-D592 HydrophobicContact CG2-CB 4.03Å; N589-D592 WeakPolarHBondContact O-CB 3.46Å; N589-D592 PolarHBondContact O-N 3.39Å; H590-D592 PolarHBondContact O-N 3.34Å; H590-D592 VanDerWaalsContact O-N 3.13Å
593	Y	94.6	Very high	90.2	Very high	13 Å²	13	71.7 Å²	71.7	5%	0.051	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.8	-175.7	-65.7	-87.2	0	0	0	112.4	A574 Y575 N576 D583 F584 Y585 E586 N589 H590 Q591	A574-Y593 HydrophobicContact CB-CD1 3.86Å; A574-Y593 HydrophobicContact CB-CG 4.44Å; Y575-Y593 CarbonylContact O-C 3.53Å; Y575-Y593 WeakPolarHBondContact O-CA 3.26Å; N576-Y593 HydrophobicContact CB-CD1 4.18Å; N576-Y593 HydrophobicContact CB-CE1 3.93Å; D583-Y593 HydrophobicContact CB-CE1 4.19Å; D583-Y593 PolarHBondContact OD2-OH 3.3Å; F584-Y593 PolarHBondContact O-OH 3.35Å; Y585-Y593 HydrophobicContact CD2-CD1 4.3Å; Y585-Y593 AromaticContact CD2-CD2 3.72Å; Y585-Y593 HydrophobicContact CD2-CD2 3.72Å; Y585-Y593 HydrophobicContact CD2-CE2 4.22Å; Y585-Y593 AromaticContact CD2-CG 3.79Å; Y585-Y593 HydrophobicContact CD2-CG 3.79Å; Y585-Y593 HydrophobicContact CE2-CD2 4.08Å; Y585-Y593 HydrophobicContact CE2-CG 4.37Å; E586-Y593 HydrophobicContact CB-CE2 4.27Å; N589-Y593 HydrophobicContact CB-CE2 4.17Å; N589-Y593 VanDerWaalsContact O-CD2 3.25Å; N589-Y593 WeakPolarHBondContact O-CD2 3.21Å; H590-Y593 PolarHBondContact O-N 3.01Å; H590-Y593 VanDerWaalsContact O-N 3.11Å; Q591-Y593 VanDerWaalsContact C-N 3.35Å
594	D	92.7	Very high	90.1	Very high	35 Å²	35	71 Å²	71	19%	0.187	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.4	167.9	-167.8	8.5	0	0	0	110.3	Y575 K577 R600	Y575-D594 HydrophobicContact CD1-CB 4.32Å; Y575-D594 PolarHBondContact N-O 3.01Å; Y575-D594 VanDerWaalsContact N-O 3.16Å; Y575-D594 PolarHBondContact O-N 3.36Å; K577-D594 HydrophobicContact CD-CB 4.33Å; K577-D594 HydrophobicContact CG-CB 4.24Å; D594-R600 IonicContact OD1-CZ 3.57Å; D594-R600 IonicContact OD1-NH1 3.66Å; D594-R600 PolarHBondContact OD1-NH1 3.41Å; D594-R600 IonicContact OD1-NH2 3.61Å; D594-R600 IonicContact OD2-CZ 3.58Å; D594-R600 IonicContact OD2-NH1 2.74Å; D594-R600 PolarHBondContact OD2-NH1 3.13Å; D594-R600 IonicContact OD2-NH2 2.64Å; D594-R600 PolarHBondContact OD2-NH2 3.25Å
595	F	90.7	Very high	89.9	Confident	92 Å²	92	68.7 Å²	68.7	40%	0.404	34%	0.342	S	S	.	.			trans	-98.9	97.2	178.9	-69.2	-91.1	0	0	0	109.5	V572 A574 Y585 S597	V572-F595 HydrophobicContact CG1-CE1 3.91Å; A574-F595 HydrophobicContact CB-CD1 3.89Å; A574-F595 HydrophobicContact CB-CE1 3.66Å; A574-F595 HydrophobicContact CB-CE2 4.48Å; A574-F595 HydrophobicContact CB-CG 4.41Å; A574-F595 HydrophobicContact CB-CZ 3.99Å; Y585-F595 HydrophobicContact CD2-CE1 4.5Å; Y585-F595 HydrophobicContact CD2-CE2 4.08Å; Y585-F595 AromaticContact CD2-CZ 3.48Å; Y585-F595 HydrophobicContact CD2-CZ 3.48Å; Y585-F595 VanDerWaalsContact CD2-CZ 3.48Å; Y585-F595 AromaticContact CE2-CE2 3.94Å; Y585-F595 HydrophobicContact CE2-CE2 3.94Å; Y585-F595 AromaticContact CE2-CZ 3.66Å; Y585-F595 HydrophobicContact CE2-CZ 3.66Å; Y585-F595 AromaticContact CG-CZ 3.98Å; Y585-F595 HydrophobicContact CG-CZ 3.98Å; F595-S597 PolarHBondContact O-N 3.35Å
596	I	88.1	Confident	89.6	Confident	22 Å²	22	71.6 Å²	71.6	11%	0.113	35%	0.352	C	S	.	.			trans	-85.9	97.2	178.4	-55.7	176.7	0	0	0	108.7	R600 M601 P612 F615	I596-R600 HydrophobicContact CG2-CB 4.45Å; I596-R600 HydrophobicContact CG2-CG 4.41Å; I596-M601 HydrophobicContact CG2-CB 4.33Å; I596-P612 VanDerWaalsContact CD1-CD 3.46Å; I596-P612 HydrophobicContact CD1-CG 3.97Å; I596-F615 HydrophobicContact CB-CD2 4.41Å; I596-F615 HydrophobicContact CB-CE2 3.77Å; I596-F615 HydrophobicContact CB-CZ 3.91Å; I596-F615 HydrophobicContact CD1-CD1 4.48Å; I596-F615 HydrophobicContact CD1-CD2 3.72Å; I596-F615 HydrophobicContact CD1-CE2 3.97Å; I596-F615 HydrophobicContact CD1-CG 3.99Å; I596-F615 HydrophobicContact CD1-CZ 4.44Å; I596-F615 HydrophobicContact CG1-CD2 4.48Å; I596-F615 HydrophobicContact CG1-CE2 4.3Å; I596-F615 HydrophobicContact CG2-CE1 4.33Å; I596-F615 HydrophobicContact CG2-CE2 4.28Å; I596-F615 HydrophobicContact CG2-CZ 3.92Å
597	S	83.5	Confident	89.5	Confident	61 Å²	61	72.2 Å²	72.2	43%	0.427	36%	0.355	S	S	.	.			trans	-66.9	159.6	176.8	71.4	0	0	0	0	112	F595 T599 R600 M601	F595-S597 PolarHBondContact O-N 3.35Å; S597-T599 PolarHBondContact O-N 3.22Å; S597-R600 PolarHBondContact O-N 3.45Å; S597-R600 VanDerWaalsContact O-N 3.1Å; S597-R600 PolarHBondContact OG-N 2.81Å; S597-M601 WeakPolarHBondContact O-CB 3.11Å; S597-M601 PolarHBondContact O-N 2.93Å
598	G	82.1	Confident	89.3	Confident	38 Å²	38	69.2 Å²	69.2	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-54.9	-36.8	172.6	0	0	0	0	0	112.6	M601 R602	G598-M601 PolarHBondContact O-N 3.41Å; G598-R602 WeakPolarHBondContact O-CB 3.34Å; G598-R602 WeakPolarHBondContact O-CG 3.42Å; G598-R602 PolarHBondContact O-N 3.06Å
599	T	83.7	Confident	89.1	Confident	106 Å²	106	64.2 Å²	64.2	65%	0.65	32%	0.321	S	S	*	.	H	α-helix	trans	-65.1	-44	175.6	-49.7	0	0	0	0	112.3	S597 R602 R603	S597-T599 PolarHBondContact O-N 3.22Å; T599-R602 PolarHBondContact O-N 3.33Å; T599-R603 PolarHBondContact O-N 2.78Å
600	R	88.4	Confident	89.1	Confident	73 Å²	73	65.7 Å²	65.7	28%	0.275	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-40.9	177	-176.7	173.4	170.6	-157.7	-8.8	111.4	D594 I596 S597 R603 M604	D594-R600 IonicContact OD1-CZ 3.57Å; D594-R600 IonicContact OD1-NH1 3.66Å; D594-R600 PolarHBondContact OD1-NH1 3.41Å; D594-R600 IonicContact OD1-NH2 3.61Å; D594-R600 IonicContact OD2-CZ 3.58Å; D594-R600 IonicContact OD2-NH1 2.74Å; D594-R600 PolarHBondContact OD2-NH1 3.13Å; D594-R600 IonicContact OD2-NH2 2.64Å; D594-R600 PolarHBondContact OD2-NH2 3.25Å; I596-R600 HydrophobicContact CG2-CB 4.45Å; I596-R600 HydrophobicContact CG2-CG 4.41Å; S597-R600 PolarHBondContact O-N 3.45Å; S597-R600 VanDerWaalsContact O-N 3.1Å; S597-R600 PolarHBondContact OG-N 2.81Å; R600-R603 PolarHBondContact O-N 3.03Å; R600-M604 HydrophobicContact CG-CE 3.97Å; R600-M604 HydrophobicContact CG-SD 4.18Å; R600-M604 WeakPolarHBondContact O-CG 3.38Å; R600-M604 PolarHBondContact O-N 3.15Å
601	M	87.3	Confident	89.1	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-47.6	174	-172.8	-161	-56	0	0	111.6	I596 S597 G598 R603 M604 A605 F615 M616 W621 L624	I596-M601 HydrophobicContact CG2-CB 4.33Å; S597-M601 WeakPolarHBondContact O-CB 3.11Å; S597-M601 PolarHBondContact O-N 2.93Å; G598-M601 PolarHBondContact O-N 3.41Å; M601-R603 VanDerWaalsContact C-N 3.32Å; M601-R603 PolarHBondContact O-N 3.03Å; M601-M604 PolarHBondContact O-N 3.26Å; M601-A605 WeakPolarHBondContact O-CB 3.44Å; M601-A605 PolarHBondContact O-N 3.28Å; M601-F615 HydrophobicContact CE-CE1 4.04Å; M601-F615 HydrophobicContact CE-CZ 3.93Å; M601-M616 HydrophobicContact SD-CE 4.33Å; M601-W621 HydrophobicContact CG-CH2 3.85Å; M601-W621 HydrophobicContact CG-CZ3 3.47Å; M601-W621 VanDerWaalsContact CG-CZ3 3.47Å; M601-W621 WeakPolarHBondContact O-CH2 3.41Å; M601-W621 HydrophobicContact SD-CZ3 4.33Å; M601-L624 HydrophobicContact SD-CD1 4.05Å
602	R	85.9	Confident	89.1	Confident	43 Å²	43	56 Å²	56	16%	0.162	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-44.2	175.6	-76.2	171.3	-173.7	178.6	10.5	111.9	D471 G598 T599 A605 R606 Y628	D471-R602 PolarHBondContact O-NH1 2.71Å; D471-R602 PolarHBondContact O-NH2 2.92Å; D471-R602 IonicContact OD2-CZ 3.06Å; D471-R602 IonicContact OD2-NH1 2.65Å; D471-R602 PolarHBondContact OD2-NH1 2.83Å; D471-R602 IonicContact OD2-NH2 3.73Å; D471-R602 PolarHBondContact OD2-NH2 3.46Å; G598-R602 WeakPolarHBondContact O-CB 3.34Å; G598-R602 WeakPolarHBondContact O-CG 3.42Å; G598-R602 PolarHBondContact O-N 3.06Å; T599-R602 PolarHBondContact O-N 3.33Å; R602-A605 PolarHBondContact O-N 2.97Å; R602-R606 WeakPolarHBondContact O-CG 3.45Å; R602-R606 PolarHBondContact O-N 3.28Å; R602-R606 VanDerWaalsContact O-N 3.12Å; R602-Y628 HydrophobicContact CB-CE1 4.26Å; R602-Y628 HydrophobicContact CG-CD1 4.41Å; R602-Y628 HydrophobicContact CG-CE1 3.55Å; R602-Y628 HydrophobicContact CG-CE2 4.25Å; R602-Y628 VanDerWaalsContact CG-CZ 3.45Å; R602-Y628 VanDerWaalsContact CG-OH 3.25Å; R602-Y628 WeakPolarHBondContact CG-OH 3.3Å
603	R	89.4	Confident	89	Confident	124 Å²	124	60 Å²	60	47%	0.468	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-51.2	178.9	-169.2	-170.4	68.2	-160.9	-0.7	111.3	T599 R600 M601 A605 R606 E607	T599-R603 PolarHBondContact O-N 2.78Å; R600-R603 PolarHBondContact O-N 3.03Å; M601-R603 VanDerWaalsContact C-N 3.32Å; M601-R603 PolarHBondContact O-N 3.03Å; R603-A605 VanDerWaalsContact C-N 3.3Å; R603-A605 PolarHBondContact O-N 3.07Å; R603-R606 PolarHBondContact O-N 2.97Å; R603-R606 VanDerWaalsContact O-N 3.15Å; R603-E607 HydrophobicContact CG-CG 4.44Å; R603-E607 WeakPolarHBondContact CG-OE1 3.25Å; R603-E607 WeakPolarHBondContact CG-OE2 3.33Å; R603-E607 IonicContact NE-OE2 2.73Å; R603-E607 WeakPolarHBondContact O-CG 3.22Å; R603-E607 PolarHBondContact O-N 2.63Å
604	M	91	Very high	88.8	Confident	13 Å²	13	60.9 Å²	60.9	6%	0.064	32%	0.323	C	S	.	.	H	α-helix	trans	-55.6	-45.2	177	-72.8	167.5	164.6	0	0	111.8	R600 M601 R606 E607 G608 E609 W621	R600-M604 HydrophobicContact CG-CE 3.97Å; R600-M604 HydrophobicContact CG-SD 4.18Å; R600-M604 WeakPolarHBondContact O-CG 3.38Å; R600-M604 PolarHBondContact O-N 3.15Å; M601-M604 PolarHBondContact O-N 3.26Å; M604-R606 VanDerWaalsContact C-N 3.34Å; M604-R606 PolarHBondContact O-N 2.89Å; M604-E607 PolarHBondContact O-N 3.5Å; M604-G608 PolarHBondContact O-N 3.37Å; M604-G608 VanDerWaalsContact O-N 3.08Å; M604-E609 HydrophobicContact CB-CB 4.11Å; M604-E609 HydrophobicContact CG-CB 4.33Å; M604-E609 PolarHBondContact O-N 3.3Å; M604-W621 HydrophobicContact CB-CH2 4.15Å; M604-W621 HydrophobicContact CB-CZ2 4.09Å
605	A	88.9	Confident	88.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-35.2	-179.3	0	0	0	0	0	113.3	M601 R602 R603 W621 K625 Y628	M601-A605 WeakPolarHBondContact O-CB 3.44Å; M601-A605 PolarHBondContact O-N 3.28Å; R602-A605 PolarHBondContact O-N 2.97Å; R603-A605 VanDerWaalsContact C-N 3.3Å; R603-A605 PolarHBondContact O-N 3.07Å; A605-W621 HydrophobicContact CB-CH2 3.76Å; A605-W621 HydrophobicContact CB-CZ2 3.83Å; A605-K625 HydrophobicContact CB-CG 4.37Å; A605-Y628 HydrophobicContact CB-CD2 3.38Å; A605-Y628 HydrophobicContact CB-CE2 4.21Å; A605-Y628 HydrophobicContact CB-CG 3.98Å
606	R	87.3	Confident	89	Confident	118 Å²	118	55.4 Å²	55.4	45%	0.445	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-47.4	173.9	-76	-178	-128	167.3	-4.1	112	R602 R603 M604 G608 E632	R602-R606 WeakPolarHBondContact O-CG 3.45Å; R602-R606 PolarHBondContact O-N 3.28Å; R602-R606 VanDerWaalsContact O-N 3.12Å; R603-R606 PolarHBondContact O-N 2.97Å; R603-R606 VanDerWaalsContact O-N 3.15Å; M604-R606 VanDerWaalsContact C-N 3.34Å; M604-R606 PolarHBondContact O-N 2.89Å; R606-G608 PolarHBondContact O-N 2.92Å; R606-G608 VanDerWaalsContact O-N 3.11Å; R606-E632 WeakPolarHBondContact CB-OE1 3.18Å
607	E	89.1	Confident	89.3	Confident	112 Å²	112	54.7 Å²	54.7	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-70.3	-5.4	179.7	-68.7	167.7	172.2	0	0	112.9	R603 M604 E609	R603-E607 HydrophobicContact CG-CG 4.44Å; R603-E607 WeakPolarHBondContact CG-OE1 3.25Å; R603-E607 WeakPolarHBondContact CG-OE2 3.33Å; R603-E607 IonicContact NE-OE2 2.73Å; R603-E607 WeakPolarHBondContact O-CG 3.22Å; R603-E607 PolarHBondContact O-N 2.63Å; M604-E607 PolarHBondContact O-N 3.5Å; E607-E609 HydrophobicContact CB-CG 4.04Å; E607-E609 PolarHBondContact O-N 3.14Å
608	G	84.5	Confident	89.8	Confident	34 Å²	34	57.2 Å²	57.2	35%	0.351	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	10.3	-178.1	0	0	0	0	0	113.8	M604 R606	M604-G608 PolarHBondContact O-N 3.37Å; M604-G608 VanDerWaalsContact O-N 3.08Å; R606-G608 PolarHBondContact O-N 2.92Å; R606-G608 VanDerWaalsContact O-N 3.11Å
609	E	90.9	Very high	90.4	Very high	92 Å²	92	60 Å²	60	43%	0.43	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-73.6	155.1	176.1	-59.3	-173.5	165.7	0	0	111.1	M604 E607 W621	M604-E609 HydrophobicContact CB-CB 4.11Å; M604-E609 HydrophobicContact CG-CB 4.33Å; M604-E609 PolarHBondContact O-N 3.3Å; E607-E609 HydrophobicContact CB-CG 4.04Å; E607-E609 PolarHBondContact O-N 3.14Å; E609-W621 WeakPolarHBondContact O-CZ2 3.47Å; E609-W621 PolarHBondContact O-NE1 2.79Å
610	N	91.8	Very high	91	Very high	93 Å²	93	54.9 Å²	54.9	50%	0.497	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-101.1	142.9	170.1	-64.2	-42.2	0	0	0	109.8	W621 K625	N610-W621 VanDerWaalsContact OD1-CD1 3.23Å; N610-W621 PolarHBondContact OD1-NE1 3.41Å; N610-W621 VanDerWaalsContact OD1-NE1 3.15Å; N610-K625 PolarHBondContact OD1-NZ 2.77Å
611	P	92.9	Very high	91.4	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.071	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-65.3	167	167.1	33.1	-37.5	0	0	0	109.2	D613 F615 W621	P611-D613 PolarHBondContact O-N 3.09Å; P611-F615 HydrophobicContact CB-CB 4.06Å; P611-F615 HydrophobicContact CB-CD1 3.57Å; P611-F615 HydrophobicContact CB-CE1 4.36Å; P611-F615 HydrophobicContact CB-CG 4.06Å; P611-F615 HydrophobicContact CG-CB 4.42Å; P611-F615 HydrophobicContact CG-CD1 3.83Å; P611-W621 VanDerWaalsContact CD-CD2 3.47Å; P611-W621 HydrophobicContact CG-CD2 3.91Å; P611-W621 HydrophobicContact CG-CE3 4Å; P611-W621 HydrophobicContact CG-CG 4.35Å; P611-W621 HydrophobicContact CG-CH2 4.46Å; P611-W621 HydrophobicContact CG-CZ2 4.41Å; P611-W621 HydrophobicContact CG-CZ3 4.27Å
612	P	93.3	Very high	91.8	Very high	39 Å²	39	53 Å²	53	25%	0.253	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-52.2	140	172.4	-25.2	35.2	0	0	0	112.1	Y575 I596 G614 F615	Y575-P612 HydrophobicContact CD1-CB 4.02Å; Y575-P612 HydrophobicContact CD1-CG 4.23Å; Y575-P612 HydrophobicContact CD2-CB 4.4Å; Y575-P612 HydrophobicContact CE1-CB 3.45Å; Y575-P612 VanDerWaalsContact CE1-CB 3.45Å; Y575-P612 HydrophobicContact CE1-CG 4.04Å; Y575-P612 HydrophobicContact CE2-CB 3.89Å; Y575-P612 HydrophobicContact CG-CB 4.45Å; I596-P612 VanDerWaalsContact CD1-CD 3.46Å; I596-P612 HydrophobicContact CD1-CG 3.97Å; P612-G614 PolarHBondContact O-N 3.25Å; P612-F615 WeakPolarHBondContact O-CB 3.28Å; P612-F615 PolarHBondContact O-N 3.32Å
613	D	92.6	Very high	92.3	Very high	126 Å²	126	52 Å²	52	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	134.5	176.3	-71.1	-15.9	0	0	0	110.4	Y575 P611 F615	Y575-D613 WeakPolarHBondContact CE2-O 3.47Å; Y575-D613 PolarHBondContact OH-O 3.01Å; P611-D613 PolarHBondContact O-N 3.09Å; D613-F615 VanDerWaalsContact C-N 3.35Å
614	G	90.1	Very high	92.5	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.2	-176.6	0	0	0	0	0	115.2	N436 P612	N436-G614 WeakPolarHBondContact CB-O 3.37Å; N436-G614 PolarHBondContact ND2-O 3.49Å; P612-G614 PolarHBondContact O-N 3.25Å
615	F	93.3	Very high	92.6	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	26%	0.258	C	S	.	.	S	Bend	trans	-71.7	-43	169.8	176.3	-104.2	0	0	0	113	H435 N436 Y575 M582 I596 M601 P611 P612 D613	H435-F615 HydrophobicContact CB-CE1 4.15Å; H435-F615 HydrophobicContact CB-CE2 4.44Å; H435-F615 HydrophobicContact CB-CZ 4.06Å; N436-F615 VanDerWaalsContact CB-O 3.3Å; N436-F615 WeakPolarHBondContact CB-O 3.43Å; N436-F615 PolarHBondContact N-O 3.45Å; Y575-F615 HydrophobicContact CD2-CB 4.37Å; M582-F615 HydrophobicContact SD-CD2 3.71Å; M582-F615 HydrophobicContact SD-CE2 4.28Å; I596-F615 HydrophobicContact CB-CD2 4.41Å; I596-F615 HydrophobicContact CB-CE2 3.77Å; I596-F615 HydrophobicContact CB-CZ 3.91Å; I596-F615 HydrophobicContact CD1-CD1 4.48Å; I596-F615 HydrophobicContact CD1-CD2 3.72Å; I596-F615 HydrophobicContact CD1-CE2 3.97Å; I596-F615 HydrophobicContact CD1-CG 3.99Å; I596-F615 HydrophobicContact CD1-CZ 4.44Å; I596-F615 HydrophobicContact CG1-CD2 4.48Å; I596-F615 HydrophobicContact CG1-CE2 4.3Å; I596-F615 HydrophobicContact CG2-CE1 4.33Å; I596-F615 HydrophobicContact CG2-CE2 4.28Å; I596-F615 HydrophobicContact CG2-CZ 3.92Å; M601-F615 HydrophobicContact CE-CE1 4.04Å; M601-F615 HydrophobicContact CE-CZ 3.93Å; P611-F615 HydrophobicContact CB-CB 4.06Å; P611-F615 HydrophobicContact CB-CD1 3.57Å; P611-F615 HydrophobicContact CB-CE1 4.36Å; P611-F615 HydrophobicContact CB-CG 4.06Å; P611-F615 HydrophobicContact CG-CB 4.42Å; P611-F615 HydrophobicContact CG-CD1 3.83Å; P612-F615 WeakPolarHBondContact O-CB 3.28Å; P612-F615 PolarHBondContact O-N 3.32Å; D613-F615 VanDerWaalsContact C-N 3.35Å
616	M	94.6	Very high	92.9	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.039	28%	0.282	C	S	.	.	S	Bend	trans	-149.9	151.4	179.8	-174.8	179.1	-67.1	0	0	109.4	H435 Q481 M601 A620 W621 L624	H435-M616 HydrophobicContact CB-CB 4.48Å; H435-M616 HydrophobicContact CB-CE 3.73Å; Q481-M616 PolarHBondContact NE2-SD 2.95Å; M601-M616 HydrophobicContact SD-CE 4.33Å; M616-A620 HydrophobicContact CG-CB 4.14Å; M616-A620 HydrophobicContact SD-CB 4.32Å; M616-W621 HydrophobicContact SD-CB 4.4Å; M616-W621 HydrophobicContact SD-CE3 4.02Å; M616-L624 HydrophobicContact CE-CD1 3.72Å; M616-L624 HydrophobicContact SD-CD1 3.67Å
617	A	94.2	Very high	93.2	Very high	7 Å²	7	48 Å²	48	6%	0.058	26%	0.264	C	S	.	.			trans	-56.5	143.1	172	0	0	0	0	0	111.6	E488 V490 A620 W621	E488-A617 HydrophobicContact CB-CB 4.16Å; E488-A617 VanDerWaalsContact CD-CB 3.49Å; E488-A617 HydrophobicContact CG-CB 4.38Å; E488-A617 WeakPolarHBondContact OE1-CB 3.39Å; V490-A617 HydrophobicContact CG2-CB 3.72Å; A617-A620 HydrophobicContact CB-CB 3.88Å; A617-A620 WeakPolarHBondContact O-CB 3.07Å; A617-A620 PolarHBondContact O-N 3.5Å; A617-W621 PolarHBondContact O-N 2.72Å
618	L	94.5	Very high	93.3	Very high	113 Å²	113	43.1 Å²	43.1	59%	0.592	24%	0.241	S	C	*	.	H	α-helix	trans	-71	-42.1	-168.5	-70	176	0	0	0	113	E488 A620 W621 A622	E488-L618 PolarHBondContact OE1-N 2.72Å; E488-L618 PolarHBondContact OE2-N 3.35Å; E488-L618 VanDerWaalsContact OE2-N 3.08Å; L618-A620 VanDerWaalsContact C-N 3.3Å; L618-W621 PolarHBondContact O-N 3.25Å; L618-A622 PolarHBondContact O-N 2.76Å
619	K	95.7	Very high	93.5	Very high	96 Å²	96	45.3 Å²	45.3	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-40	172.4	-62.5	-175.4	174.5	176.5	0	110.3	A484 E487 E488 W621 A622 V623	A484-K619 HydrophobicContact CB-CB 3.96Å; E487-K619 IonicContact OE1-NZ 2.73Å; E487-K619 PolarHBondContact OE1-NZ 3.42Å; E487-K619 IonicContact OE2-NZ 3.33Å; E488-K619 HydrophobicContact CG-CB 4.16Å; E488-K619 HydrophobicContact CG-CD 3.92Å; E488-K619 HydrophobicContact CG-CG 3.99Å; E488-K619 WeakPolarHBondContact OE1-CA 3.38Å; E488-K619 WeakPolarHBondContact OE1-CB 3.5Å; E488-K619 PolarHBondContact OE1-N 2.93Å; K619-W621 VanDerWaalsContact C-N 3.33Å; K619-W621 PolarHBondContact O-N 3.08Å; K619-A622 WeakPolarHBondContact O-CB 3.45Å; K619-A622 PolarHBondContact O-N 3.32Å; K619-V623 PolarHBondContact O-N 3.22Å; K619-V623 VanDerWaalsContact O-N 3.12Å
620	A	95.6	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-38.3	176.9	0	0	0	0	0	112.1	Q481 A484 V485 E488 M616 A617 L618 V623 L624	Q481-A620 HydrophobicContact CG-CB 4.15Å; Q481-A620 WeakPolarHBondContact CG-O 3.24Å; A484-A620 HydrophobicContact CB-CB 4.12Å; V485-A620 HydrophobicContact CG2-CB 3.52Å; E488-A620 PolarHBondContact OE1-N 3.32Å; M616-A620 HydrophobicContact CG-CB 4.14Å; M616-A620 HydrophobicContact SD-CB 4.32Å; A617-A620 HydrophobicContact CB-CB 3.88Å; A617-A620 WeakPolarHBondContact O-CB 3.07Å; A617-A620 PolarHBondContact O-N 3.5Å; L618-A620 VanDerWaalsContact C-N 3.3Å; A620-V623 PolarHBondContact O-N 2.93Å; A620-L624 PolarHBondContact O-N 3.02Å
621	W	95.9	Very high	93.1	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-39.7	171.7	-177.6	-116.1	0	0	0	112.3	M601 M604 A605 E609 N610 P611 M616 A617 L618 K619 V623 L624 K625	M601-W621 HydrophobicContact CG-CH2 3.85Å; M601-W621 HydrophobicContact CG-CZ3 3.47Å; M601-W621 VanDerWaalsContact CG-CZ3 3.47Å; M601-W621 WeakPolarHBondContact O-CH2 3.41Å; M601-W621 HydrophobicContact SD-CZ3 4.33Å; M604-W621 HydrophobicContact CB-CH2 4.15Å; M604-W621 HydrophobicContact CB-CZ2 4.09Å; A605-W621 HydrophobicContact CB-CH2 3.76Å; A605-W621 HydrophobicContact CB-CZ2 3.83Å; E609-W621 WeakPolarHBondContact O-CZ2 3.47Å; E609-W621 PolarHBondContact O-NE1 2.79Å; N610-W621 VanDerWaalsContact OD1-CD1 3.23Å; N610-W621 PolarHBondContact OD1-NE1 3.41Å; N610-W621 VanDerWaalsContact OD1-NE1 3.15Å; P611-W621 VanDerWaalsContact CD-CD2 3.47Å; P611-W621 HydrophobicContact CG-CD2 3.91Å; P611-W621 HydrophobicContact CG-CE3 4Å; P611-W621 HydrophobicContact CG-CG 4.35Å; P611-W621 HydrophobicContact CG-CH2 4.46Å; P611-W621 HydrophobicContact CG-CZ2 4.41Å; P611-W621 HydrophobicContact CG-CZ3 4.27Å; M616-W621 HydrophobicContact SD-CB 4.4Å; M616-W621 HydrophobicContact SD-CE3 4.02Å; A617-W621 PolarHBondContact O-N 2.72Å; L618-W621 PolarHBondContact O-N 3.25Å; K619-W621 VanDerWaalsContact C-N 3.33Å; K619-W621 PolarHBondContact O-N 3.08Å; W621-V623 VanDerWaalsContact C-N 3.3Å; W621-V623 PolarHBondContact O-N 3.45Å; W621-L624 HydrophobicContact CE3-CB 4.42Å; W621-L624 HydrophobicContact CE3-CD1 4.14Å; W621-L624 HydrophobicContact CZ3-CD1 4.24Å; W621-L624 PolarHBondContact O-N 3.26Å; W621-L624 VanDerWaalsContact O-N 3.08Å; W621-K625 VanDerWaalsContact CD1-CE 3.46Å; W621-K625 HydrophobicContact CZ2-CG 4.3Å; W621-K625 VanDerWaalsContact NE1-CD 3.35Å; W621-K625 PolarHBondContact O-N 2.92Å
622	A	95.8	Very high	91.9	Very high	47 Å²	47	48.1 Å²	48.1	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-40.9	176.9	0	0	0	0	0	112.3	L618 K619 L624 K625 E626	L618-A622 PolarHBondContact O-N 2.76Å; K619-A622 WeakPolarHBondContact O-CB 3.45Å; K619-A622 PolarHBondContact O-N 3.32Å; A622-L624 VanDerWaalsContact C-N 3.32Å; A622-L624 PolarHBondContact O-N 2.99Å; A622-K625 PolarHBondContact O-N 3.14Å; A622-E626 PolarHBondContact O-N 2.96Å
623	V	95.9	Very high	90.2	Very high	21 Å²	21	55.2 Å²	55.2	13%	0.127	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-40.7	174.1	176.2	0	0	0	0	111.6	W477 K480 Q481 A484 K619 A620 W621 E626 Y627	W477-V623 HydrophobicContact CE3-CG1 4.06Å; K480-V623 HydrophobicContact CB-CG1 3.86Å; Q481-V623 HydrophobicContact CB-CB 4.38Å; Q481-V623 HydrophobicContact CB-CG1 4.02Å; A484-V623 HydrophobicContact CB-CG2 4.33Å; K619-V623 PolarHBondContact O-N 3.22Å; K619-V623 VanDerWaalsContact O-N 3.12Å; A620-V623 PolarHBondContact O-N 2.93Å; W621-V623 VanDerWaalsContact C-N 3.3Å; W621-V623 PolarHBondContact O-N 3.45Å; V623-E626 PolarHBondContact O-N 3.16Å; V623-Y627 PolarHBondContact O-N 3.35Å
624	L	93.9	Very high	88.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.9	-40.4	177.2	-66.9	-177.2	0	0	0	112.2	P433 Q481 M601 M616 A620 W621 A622 E626 Y627 Y628	P433-L624 HydrophobicContact CB-CD1 3.88Å; P433-L624 HydrophobicContact CB-CD2 3.97Å; P433-L624 HydrophobicContact CB-CG 4.46Å; P433-L624 HydrophobicContact CG-CD1 4.15Å; P433-L624 HydrophobicContact CG-CD2 3.61Å; Q481-L624 HydrophobicContact CG-CD2 4.17Å; Q481-L624 HydrophobicContact CG-CG 4.1Å; M601-L624 HydrophobicContact SD-CD1 4.05Å; M616-L624 HydrophobicContact CE-CD1 3.72Å; M616-L624 HydrophobicContact SD-CD1 3.67Å; A620-L624 PolarHBondContact O-N 3.02Å; W621-L624 HydrophobicContact CE3-CB 4.42Å; W621-L624 HydrophobicContact CE3-CD1 4.14Å; W621-L624 HydrophobicContact CZ3-CD1 4.24Å; W621-L624 PolarHBondContact O-N 3.26Å; W621-L624 VanDerWaalsContact O-N 3.08Å; A622-L624 VanDerWaalsContact C-N 3.32Å; A622-L624 PolarHBondContact O-N 2.99Å; L624-E626 VanDerWaalsContact C-N 3.35Å; L624-Y627 PolarHBondContact O-N 3.48Å; L624-Y628 HydrophobicContact CB-CD2 4.33Å; L624-Y628 HydrophobicContact CB-CE2 4.31Å; L624-Y628 HydrophobicContact CD2-CE2 4.49Å; L624-Y628 WeakPolarHBondContact O-CD2 3.45Å; L624-Y628 PolarHBondContact O-N 3.41Å
625	K	93.7	Very high	88.1	Confident	48 Å²	48	57.1 Å²	57.1	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-47.8	173.6	-75	-169.7	-68.9	-169.3	0	111.2	A605 N610 W621 A622 Y627 Y628 Q629	A605-K625 HydrophobicContact CB-CG 4.37Å; N610-K625 PolarHBondContact OD1-NZ 2.77Å; W621-K625 VanDerWaalsContact CD1-CE 3.46Å; W621-K625 HydrophobicContact CZ2-CG 4.3Å; W621-K625 VanDerWaalsContact NE1-CD 3.35Å; W621-K625 PolarHBondContact O-N 2.92Å; A622-K625 PolarHBondContact O-N 3.14Å; K625-Y627 VanDerWaalsContact C-N 3.33Å; K625-Y627 PolarHBondContact O-N 3.24Å; K625-Y628 PolarHBondContact O-N 2.88Å; K625-Q629 VanDerWaalsContact O-CB 3.26Å; K625-Q629 WeakPolarHBondContact O-CB 3.21Å; K625-Q629 WeakPolarHBondContact O-CG 3.27Å; K625-Q629 PolarHBondContact O-N 2.98Å
626	E	94.7	Very high	87.8	Confident	106 Å²	106	59.8 Å²	59.8	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-56.1	-47.5	176.7	-171.8	-171.2	164.3	0	0	111.5	W477 A622 V623 L624 S630	W477-E626 HydrophobicContact CH2-CG 3.97Å; W477-E626 HydrophobicContact CZ3-CB 4.26Å; W477-E626 HydrophobicContact CZ3-CG 4.05Å; A622-E626 PolarHBondContact O-N 2.96Å; V623-E626 PolarHBondContact O-N 3.16Å; L624-E626 VanDerWaalsContact C-N 3.35Å; E626-S630 WeakPolarHBondContact O-CB 3.49Å; E626-S630 PolarHBondContact O-N 3.17Å
627	Y	93.7	Very high	87.5	Confident	17 Å²	17	62.7 Å²	62.7	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-55.3	176.4	169.1	-116.7	0	0	0	112.3	V473 P474 W477 V623 L624 K625 Q629 S630 L631	V473-Y627 HydrophobicContact CB-CE1 4.33Å; V473-Y627 HydrophobicContact CG1-CD1 4.04Å; V473-Y627 HydrophobicContact CG1-CE1 3.99Å; V473-Y627 HydrophobicContact CG2-CD1 4.39Å; V473-Y627 HydrophobicContact CG2-CE1 4Å; P474-Y627 WeakPolarHBondContact CD-OH 3.33Å; P474-Y627 HydrophobicContact CG-CE2 4.05Å; W477-Y627 HydrophobicContact CB-CD2 4.4Å; W477-Y627 HydrophobicContact CB-CG 4.44Å; W477-Y627 AromaticContact CD1-CD2 3.42Å; W477-Y627 VanDerWaalsContact CD1-CD2 3.42Å; W477-Y627 AromaticContact CD1-CE2 3.81Å; W477-Y627 AromaticContact CD2-CD2 3.86Å; W477-Y627 HydrophobicContact CD2-CD2 3.86Å; W477-Y627 HydrophobicContact CD2-CG 4.16Å; W477-Y627 AromaticContact CE2-CD2 3.76Å; W477-Y627 AromaticContact CG-CD2 3.67Å; W477-Y627 HydrophobicContact CG-CD2 3.67Å; W477-Y627 HydrophobicContact CG-CE2 4.37Å; W477-Y627 HydrophobicContact CG-CG 4.05Å; W477-Y627 AromaticContact NE1-CD2 3.49Å; V623-Y627 PolarHBondContact O-N 3.35Å; L624-Y627 PolarHBondContact O-N 3.48Å; K625-Y627 VanDerWaalsContact C-N 3.33Å; K625-Y627 PolarHBondContact O-N 3.24Å; Y627-Q629 VanDerWaalsContact C-N 3.34Å; Y627-Q629 PolarHBondContact O-N 2.62Å; Y627-S630 WeakPolarHBondContact O-CB 3.11Å; Y627-S630 PolarHBondContact O-N 3.48Å; Y627-S630 VanDerWaalsContact O-N 3.09Å; Y627-S630 PolarHBondContact O-OG 3.36Å; Y627-L631 HydrophobicContact CE1-CD1 4.09Å; Y627-L631 HydrophobicContact CE2-CD1 4.22Å; Y627-L631 HydrophobicContact CE2-CD2 4.11Å; Y627-L631 HydrophobicContact CE2-CG 4.19Å; Y627-L631 PolarHBondContact O-N 3.33Å
628	Y	91	Very high	87.1	Confident	10 Å²	10	66 Å²	66	4%	0.039	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-32.3	-174.5	-73.8	-62.8	0	0	0	113	V473 R602 A605 L624 K625 S630 L631	V473-Y628 VanDerWaalsContact CG2-OH 3.3Å; V473-Y628 WeakPolarHBondContact CG2-OH 3.05Å; R602-Y628 HydrophobicContact CB-CE1 4.26Å; R602-Y628 HydrophobicContact CG-CD1 4.41Å; R602-Y628 HydrophobicContact CG-CE1 3.55Å; R602-Y628 HydrophobicContact CG-CE2 4.25Å; R602-Y628 VanDerWaalsContact CG-CZ 3.45Å; R602-Y628 VanDerWaalsContact CG-OH 3.25Å; R602-Y628 WeakPolarHBondContact CG-OH 3.3Å; A605-Y628 HydrophobicContact CB-CD2 3.38Å; A605-Y628 HydrophobicContact CB-CE2 4.21Å; A605-Y628 HydrophobicContact CB-CG 3.98Å; L624-Y628 HydrophobicContact CB-CD2 4.33Å; L624-Y628 HydrophobicContact CB-CE2 4.31Å; L624-Y628 HydrophobicContact CD2-CE2 4.49Å; L624-Y628 WeakPolarHBondContact O-CD2 3.45Å; L624-Y628 PolarHBondContact O-N 3.41Å; K625-Y628 PolarHBondContact O-N 2.88Å; Y628-S630 VanDerWaalsContact C-N 3.32Å; Y628-L631 HydrophobicContact CD1-CD1 4.06Å; Y628-L631 PolarHBondContact O-N 2.78Å
629	Q	89	Confident	86.6	Confident	79 Å²	79	63.1 Å²	63.1	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-71.7	-26.3	172.6	-69.5	175.9	-15.7	0	0	112.5	K625 Y627 L631 E632	K625-Q629 VanDerWaalsContact O-CB 3.26Å; K625-Q629 WeakPolarHBondContact O-CB 3.21Å; K625-Q629 WeakPolarHBondContact O-CG 3.27Å; K625-Q629 PolarHBondContact O-N 2.98Å; Y627-Q629 VanDerWaalsContact C-N 3.34Å; Y627-Q629 PolarHBondContact O-N 2.62Å; Q629-L631 VanDerWaalsContact C-N 3.3Å; Q629-E632 PolarHBondContact O-N 3.06Å
630	S	89.4	Confident	86	Confident	44 Å²	44	60.9 Å²	60.9	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-28.9	173.5	78.3	0	0	0	0	112.7	E626 Y627 Y628 E632 K633 A634	E626-S630 WeakPolarHBondContact O-CB 3.49Å; E626-S630 PolarHBondContact O-N 3.17Å; Y627-S630 WeakPolarHBondContact O-CB 3.11Å; Y627-S630 PolarHBondContact O-N 3.48Å; Y627-S630 VanDerWaalsContact O-N 3.09Å; Y627-S630 PolarHBondContact O-OG 3.36Å; Y628-S630 VanDerWaalsContact C-N 3.32Å; S630-E632 VanDerWaalsContact C-N 3.3Å; S630-E632 PolarHBondContact O-N 3.13Å; S630-K633 PolarHBondContact O-N 3.18Å; S630-A634 PolarHBondContact O-N 3.26Å
631	L	84.8	Confident	85.3	Confident	87 Å²	87	65.2 Å²	65.2	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.9	176.8	-63.8	178.3	0	0	0	113.6	Y627 Y628 Q629	Y627-L631 HydrophobicContact CE1-CD1 4.09Å; Y627-L631 HydrophobicContact CE2-CD1 4.22Å; Y627-L631 HydrophobicContact CE2-CD2 4.11Å; Y627-L631 HydrophobicContact CE2-CG 4.19Å; Y627-L631 PolarHBondContact O-N 3.33Å; Y628-L631 HydrophobicContact CD1-CD1 4.06Å; Y628-L631 PolarHBondContact O-N 2.78Å; Q629-L631 VanDerWaalsContact C-N 3.3Å
632	E	69.1	Low	84.5	Confident	124 Å²	124	70 Å²	70	58%	0.579	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.2	175.5	-67.1	-174.5	168.5	0	0	112.7	R606 Q629 S630	R606-E632 WeakPolarHBondContact CB-OE1 3.18Å; Q629-E632 PolarHBondContact O-N 3.06Å; S630-E632 VanDerWaalsContact C-N 3.3Å; S630-E632 PolarHBondContact O-N 3.13Å
633	K	57.6	Low	83.5	Confident	189 Å²	189	71.9 Å²	71.9	82%	0.822	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.2	180	-67	-179.8	-179.6	176.3	0	113.2	S630	S630-K633 PolarHBondContact O-N 3.18Å
634	A	49.7	Very low	82.4	Confident	138 Å²	138	76.5 Å²	76.5	100%	1.141	41%	0.408	S	S	*	.			trans	-102.2	0	178.2	0	0	0	0	0	109.7	S630	S630-A634 PolarHBondContact O-N 3.26Å

Retrieved 634 of 634 residues in 836.8 ms (Link to these results)

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