A0A087YM55_POEFO Loading...

Ectonucleotide pyrophosphatase/phosphodiesterase 1

AlphaFold DB , UniProt , Accession A0A087YM55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 861 aa.

						>A0A087YM55_POEFO|A0A087YM55
MPEQRVHILLHCREKLLTASHSLLENCQDVSALSGMEGTKGEERQPEQAASLFGTSELESQRISAERRKKRNHRCKIIIGVALLCLLIVIVTVAISHKSGSKSTAHFTTGDYESPAALPPHTRVTSPRSHSVEGGSLWKKFTQEIGEAKCPPGFSRPPLLLVSLDGFRAEYLKDHHSRLPVINKLRKDGTTTSYMRPVYPTKTFPNHYTIVTGLYPESHGIVDNKMYDVTRNAFFTLKTDEKFNSNWYQGEPVWLTAMRQKLKAGTFFWPGSDVAINGSFPTLYRMYDKNIKFENRLETVFEWLSLPEKERPDFYTLYLEEPDSTGHAYGPKSSQVIAALEKVDSILGDLMDGLFTRDLHQCVNLMIVSDHGMEEASCQRAAYVSTYQQDTSNFTVIQGPAARIRPKRLPQDYFSFDYEGLIKNLSCRAPDQPMKPYLKENLPKRMHFAYNKRIERGHLYMKEGWQAALKKDDVKYCTGGFHGSDNLFTNMQAIFIGYGPGFKTKYVGPTFENIELYNLMCDLLGIRPSPNNGTHGSLNHLLKRPHYQPVHPAQLSHETPCESTNLVPTDNLHCLCSSQSTEKETEMNRIILSTNSEAKAKLRRLHHPFGIPSVIQAGNSFCLLHHADYLSGYSRDRLMPLWVSYTLQPLSRVPTLSPYECIRADFRVPSSSNQLCLLYRDEAALTYGLLHPPYLNITGSVSDSFISSNMAPMFPAFKEVWSHFHTSILLKYSQDLNGVNVVSGPIFDKDFDGNVDPVSKNTGNETAVPTHFFLIMTSCRNSSFSPVNCEGPLQAIAFIMPHKPDYSEFCAAESDLSWVKEWLRFHIARVRDIELLTGLSFYHGRISVEETIQLKTFLHTI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.6	Very low	48.5	Very low	193 Å²	193	131.5 Å²	131.5	95%	0.951	65%	0.646	S	S	*	*				0	65.4	0	-67	-175	-89.9	0	0	112.5
2	P	48.3	Very low	48.4	Very low	104 Å²	104	126.5 Å²	126.5	68%	0.675	63%	0.632	S	S	*	*			trans	-90	-27.5	175.9	-1.7	23.4	0	0	0	112.9	R5	P2-R5 PolarHBondContact O-N 2.94Å
3	E	43.3	Very low	49.2	Very low	164 Å²	164	129.6 Å²	129.6	77%	0.766	63%	0.632	S	S	*	*	H	α-helix	trans	-75	-30	-172.1	-70.2	-179	157.6	0	0	113.9	R5 H7	E3-R5 VanDerWaalsContact C-N 3.34Å; E3-R5 PolarHBondContact O-N 3.43Å; E3-H7 PolarHBondContact O-N 3.19Å
4	Q	42.8	Very low	49.6	Very low	134 Å²	134	129.6 Å²	129.6	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-70.1	-25.4	176.5	-85.1	176.2	-27.6	0	0	113.7	I8	Q4-I8 WeakPolarHBondContact O-CD1 3.48Å; Q4-I8 VanDerWaalsContact O-CG1 3.31Å; Q4-I8 WeakPolarHBondContact O-CG1 3.4Å; Q4-I8 PolarHBondContact O-N 2.9Å
5	R	45.3	Very low	49.9	Very low	196 Å²	196	129.7 Å²	129.7	74%	0.74	63%	0.626	S	S	*	*	H	α-helix	trans	-79.9	-32.1	178.6	-76.8	-175.2	176.2	-174.8	-0.9	112.8	P2 E3 L9	P2-R5 PolarHBondContact O-N 2.94Å; E3-R5 VanDerWaalsContact C-N 3.34Å; E3-R5 PolarHBondContact O-N 3.43Å; R5-L9 PolarHBondContact O-N 3.47Å
6	V	53.7	Low	49.9	Very low	85 Å²	85	129.4 Å²	129.4	52%	0.515	63%	0.628	S	S	.	*	H	α-helix	trans	-71.1	-37.9	176.1	179.3	0	0	0	0	110.6	I8 L9 L10	V6-I8 PolarHBondContact O-N 3.12Å; V6-L9 PolarHBondContact O-N 3.27Å; V6-L10 HydrophobicContact CG1-CD1 3.85Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 WeakPolarHBondContact O-CG 3.19Å; V6-L10 PolarHBondContact O-N 3.21Å
7	H	47.6	Very low	49.9	Very low	142 Å²	142	127.6 Å²	127.6	66%	0.657	62%	0.621	S	S	*	*	H	α-helix	trans	-64.4	-38.4	175.9	-115.5	-66.3	0	0	0	113.3	E3 H11	E3-H7 PolarHBondContact O-N 3.19Å; H7-H11 VanDerWaalsContact O-CB 3.3Å; H7-H11 WeakPolarHBondContact O-CB 3.44Å; H7-H11 PolarHBondContact O-N 3.09Å
8	I	52.9	Low	50	Low	111 Å²	111	125.8 Å²	125.8	57%	0.569	62%	0.619	S	S	*	*	H	α-helix	trans	-69.4	-39.1	177.2	-67.6	167.5	0	0	0	111.1	Q4 V6 H11 C12	Q4-I8 WeakPolarHBondContact O-CD1 3.48Å; Q4-I8 VanDerWaalsContact O-CG1 3.31Å; Q4-I8 WeakPolarHBondContact O-CG1 3.4Å; Q4-I8 PolarHBondContact O-N 2.9Å; V6-I8 PolarHBondContact O-N 3.12Å; I8-H11 PolarHBondContact O-N 2.88Å; I8-C12 WeakPolarHBondContact O-CB 3.45Å; I8-C12 PolarHBondContact O-N 2.72Å
9	L	47.6	Very low	49.9	Very low	124 Å²	124	121.8 Å²	121.8	65%	0.649	61%	0.608	S	S	*	*	H	α-helix	trans	-68.7	-38.3	177.3	-83.2	159.6	0	0	0	112.8	R5 V6 R13	R5-L9 PolarHBondContact O-N 3.47Å; V6-L9 PolarHBondContact O-N 3.27Å; L9-R13 WeakPolarHBondContact O-CB 3.3Å; L9-R13 PolarHBondContact O-N 3.17Å
10	L	54	Low	49.7	Very low	90 Å²	90	118.2 Å²	118.2	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-68.2	-39.7	174.4	-76.3	164.1	0	0	0	111.7	V6 R13 E14	V6-L10 HydrophobicContact CG1-CD1 3.85Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 WeakPolarHBondContact O-CG 3.19Å; V6-L10 PolarHBondContact O-N 3.21Å; L10-R13 PolarHBondContact O-N 3.42Å; L10-E14 PolarHBondContact O-N 2.8Å
11	H	52.7	Low	49.7	Very low	104 Å²	104	118.7 Å²	118.7	48%	0.481	60%	0.595	S	S	.	*	H	α-helix	trans	-69.8	-33.9	177.3	-156.8	57.4	0	0	0	112.6	H7 I8 K15	H7-H11 VanDerWaalsContact O-CB 3.3Å; H7-H11 WeakPolarHBondContact O-CB 3.44Å; H7-H11 PolarHBondContact O-N 3.09Å; I8-H11 PolarHBondContact O-N 2.88Å; H11-K15 WeakPolarHBondContact O-CG 3.02Å; H11-K15 PolarHBondContact O-N 2.7Å; H11-K15 VanDerWaalsContact O-N 3.17Å
12	C	47.6	Very low	49.7	Very low	71 Å²	71	112.6 Å²	112.6	48%	0.48	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-38.9	170.2	-83.7	0	0	0	0	112.3	I8 K15 L16	I8-C12 WeakPolarHBondContact O-CB 3.45Å; I8-C12 PolarHBondContact O-N 2.72Å; C12-K15 PolarHBondContact O-N 2.89Å; C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 PolarHBondContact O-N 3.44Å
13	R	58.6	Low	49.6	Very low	167 Å²	167	112.3 Å²	112.3	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-64	-43.5	176.3	-177.8	-178.3	172.5	-159.5	-2.3	111.9	L9 L10 L16 L17	L9-R13 WeakPolarHBondContact O-CB 3.3Å; L9-R13 PolarHBondContact O-N 3.17Å; L10-R13 PolarHBondContact O-N 3.42Å; R13-L16 PolarHBondContact O-N 3.22Å; R13-L17 HydrophobicContact CG-CD1 3.95Å; R13-L17 WeakPolarHBondContact O-CB 3.43Å; R13-L17 WeakPolarHBondContact O-CD1 3.17Å; R13-L17 WeakPolarHBondContact O-CG 3.38Å; R13-L17 PolarHBondContact O-N 3.29Å
14	E	55.3	Low	49.8	Very low	129 Å²	129	109.7 Å²	109.7	60%	0.603	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-45.9	176	-100.9	-179.6	157.9	0	0	112.2	L10 L17 T18	L10-E14 PolarHBondContact O-N 2.8Å; E14-L17 PolarHBondContact O-N 2.94Å; E14-T18 PolarHBondContact O-N 2.94Å; E14-T18 PolarHBondContact O-OG1 2.99Å
15	K	53.9	Low	49.9	Very low	132 Å²	132	109.8 Å²	109.8	57%	0.574	55%	0.554	S	S	*	*	H	α-helix	trans	-67.1	-34.8	178.1	-74.3	-170.3	178.2	-175.9	0	113.4	H11 C12 T18 A19	H11-K15 WeakPolarHBondContact O-CG 3.02Å; H11-K15 PolarHBondContact O-N 2.7Å; H11-K15 VanDerWaalsContact O-N 3.17Å; C12-K15 PolarHBondContact O-N 2.89Å; K15-T18 WeakPolarHBondContact CA-OG1 3.35Å; K15-T18 PolarHBondContact O-OG1 3.21Å; K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.49Å; K15-A19 PolarHBondContact O-N 3.27Å
16	L	48.9	Very low	49.8	Very low	125 Å²	125	105.7 Å²	105.7	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-66.9	-41.7	173.1	-95.6	147.3	0	0	0	111.3	C12 R13 A19 S20	C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 PolarHBondContact O-N 3.44Å; R13-L16 PolarHBondContact O-N 3.22Å; L16-A19 PolarHBondContact O-N 3.42Å; L16-S20 PolarHBondContact O-N 3.07Å; L16-S20 PolarHBondContact O-OG 3.43Å
17	L	51.1	Low	49.6	Very low	99 Å²	99	105.1 Å²	105.1	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-42	177.5	-78.8	162.5	0	0	0	112.4	R13 E14 S20 H21	R13-L17 HydrophobicContact CG-CD1 3.95Å; R13-L17 WeakPolarHBondContact O-CB 3.43Å; R13-L17 WeakPolarHBondContact O-CD1 3.17Å; R13-L17 WeakPolarHBondContact O-CG 3.38Å; R13-L17 PolarHBondContact O-N 3.29Å; E14-L17 PolarHBondContact O-N 2.94Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 PolarHBondContact O-N 3.43Å; L17-S20 PolarHBondContact O-OG 2.91Å; L17-H21 PolarHBondContact O-N 3.17Å
18	T	51.1	Low	49.2	Very low	95 Å²	95	105.3 Å²	105.3	58%	0.583	55%	0.547	S	S	*	.	H	α-helix	trans	-66.2	-40.1	175.3	10.1	0	0	0	0	112.1	E14 K15 H21 S22	E14-T18 PolarHBondContact O-N 2.94Å; E14-T18 PolarHBondContact O-OG1 2.99Å; K15-T18 WeakPolarHBondContact CA-OG1 3.35Å; K15-T18 PolarHBondContact O-OG1 3.21Å; T18-H21 PolarHBondContact O-N 3.43Å; T18-S22 PolarHBondContact O-N 3.26Å; T18-S22 VanDerWaalsContact O-N 3.13Å
19	A	47.2	Very low	48.7	Very low	49 Å²	49	108.1 Å²	108.1	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-66	-39.2	175.8	0	0	0	0	0	112.3	K15 L16 L23	K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.49Å; K15-A19 PolarHBondContact O-N 3.27Å; L16-A19 PolarHBondContact O-N 3.42Å; A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 WeakPolarHBondContact O-CD1 3.46Å; A19-L23 PolarHBondContact O-N 3.04Å; A19-L23 VanDerWaalsContact O-N 3.13Å
20	S	47.4	Very low	48.4	Very low	49 Å²	49	108.6 Å²	108.6	34%	0.343	57%	0.572	S	S	.	*	H	α-helix	trans	-68.2	-34.4	174.7	41.1	0	0	0	0	113.1	L16 L17 L23 L24	L16-S20 PolarHBondContact O-N 3.07Å; L16-S20 PolarHBondContact O-OG 3.43Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 PolarHBondContact O-N 3.43Å; L17-S20 PolarHBondContact O-OG 2.91Å; S20-L23 PolarHBondContact O-N 3.37Å; S20-L24 WeakPolarHBondContact O-CB 2.89Å; S20-L24 WeakPolarHBondContact O-CD1 3.33Å; S20-L24 PolarHBondContact O-N 3.42Å
21	H	49.3	Very low	47.4	Very low	129 Å²	129	109.9 Å²	109.9	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-67.4	-41.3	176.7	-134.4	-71	0	0	0	111.9	L17 T18 L23 L24 E25	L17-H21 PolarHBondContact O-N 3.17Å; T18-H21 PolarHBondContact O-N 3.43Å; H21-L23 VanDerWaalsContact C-N 3.29Å; H21-L23 PolarHBondContact O-N 3.41Å; H21-L24 PolarHBondContact O-N 3.3Å; H21-E25 PolarHBondContact O-N 2.73Å; H21-E25 VanDerWaalsContact O-N 3.15Å
22	S	44.5	Very low	46.4	Very low	65 Å²	65	109.4 Å²	109.4	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-68	-25.7	174.9	129.3	0	0	0	0	113.4	T18 N26	T18-S22 PolarHBondContact O-N 3.26Å; T18-S22 VanDerWaalsContact O-N 3.13Å; S22-N26 PolarHBondContact O-ND2 3.48Å; S22-N26 VanDerWaalsContact O-ND2 3.08Å
23	L	46.9	Very low	45.7	Very low	98 Å²	98	114.7 Å²	114.7	51%	0.513	63%	0.625	S	S	.	*	H	α-helix	trans	-81	-30.5	175.2	-89.8	155.2	0	0	0	112.6	A19 S20 H21	A19-L23 WeakPolarHBondContact O-CB 3.5Å; A19-L23 WeakPolarHBondContact O-CD1 3.46Å; A19-L23 PolarHBondContact O-N 3.04Å; A19-L23 VanDerWaalsContact O-N 3.13Å; S20-L23 PolarHBondContact O-N 3.37Å; H21-L23 VanDerWaalsContact C-N 3.29Å; H21-L23 PolarHBondContact O-N 3.41Å
24	L	46.8	Very low	44.2	Very low	109 Å²	109	112.9 Å²	112.9	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-75.4	-38	176.8	-96.3	142.2	0	0	0	112.7	S20 H21 N26 C27	S20-L24 WeakPolarHBondContact O-CB 2.89Å; S20-L24 WeakPolarHBondContact O-CD1 3.33Å; S20-L24 PolarHBondContact O-N 3.42Å; H21-L24 PolarHBondContact O-N 3.3Å; L24-N26 VanDerWaalsContact C-N 3.26Å; L24-N26 PolarHBondContact O-N 2.94Å; L24-C27 PolarHBondContact O-N 3.4Å; L24-C27 VanDerWaalsContact O-N 3.12Å
25	E	45.7	Very low	42.8	Very low	136 Å²	136	110.2 Å²	110.2	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-61.9	-32.3	174.4	-79.1	178.6	165.2	0	0	112.7	H21 C27	H21-E25 PolarHBondContact O-N 2.73Å; H21-E25 VanDerWaalsContact O-N 3.15Å; E25-C27 PolarHBondContact O-N 3.47Å
26	N	44.1	Very low	41.4	Very low	111 Å²	111	113.3 Å²	113.3	59%	0.594	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-2.1	177.3	-85.3	-54.7	0	0	0	114.9	S22 L24 R71	S22-N26 PolarHBondContact O-ND2 3.48Å; S22-N26 VanDerWaalsContact O-ND2 3.08Å; L24-N26 VanDerWaalsContact C-N 3.26Å; L24-N26 PolarHBondContact O-N 2.94Å; N26-R71 PolarHBondContact O-NH2 3.32Å
27	C	47.7	Very low	40.6	Very low	72 Å²	72	116.9 Å²	116.9	49%	0.486	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.2	-4.4	-176.7	-67.6	0	0	0	0	114.8	L24 E25	L24-C27 PolarHBondContact O-N 3.4Å; L24-C27 VanDerWaalsContact O-N 3.12Å; E25-C27 PolarHBondContact O-N 3.47Å
28	Q	40.2	Very low	39.4	Very low	146 Å²	146	115.4 Å²	115.4	68%	0.682	69%	0.685	S	S	*	*			trans	-85.8	-3	-169.4	-92.3	-174.8	-40.1	0	0	117.4	V30	Q28-V30 VanDerWaalsContact C-N 3.35Å; Q28-V30 PolarHBondContact O-N 3.08Å
29	D	42.8	Very low	38.2	Very low	170 Å²	170	117.2 Å²	117.2	91%	0.909	70%	0.697	S	S	*	*	S	Bend	trans	-89.6	24.1	-175.5	-105.1	-13.2	0	0	0	116
30	V	40.7	Very low	37.3	Very low	135 Å²	135	125.2 Å²	125.2	82%	0.818	72%	0.722	S	S	*	*	S	Bend	trans	-138	59.4	-179.4	-160.9	0	0	0	0	112.2	Q28	Q28-V30 VanDerWaalsContact C-N 3.35Å; Q28-V30 PolarHBondContact O-N 3.08Å
31	S	33.9	Very low	36.2	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	75%	0.745	S	S	*	*			trans	-160.9	77.4	160.5	63.2	0	0	0	0	111.9
32	A	31	Very low	35.2	Very low	94 Å²	94	129.7 Å²	129.7	78%	0.777	76%	0.759	S	S	*	*			trans	-141.9	132.2	158.7	0	0	0	0	0	108.5
33	L	31.9	Very low	34.4	Very low	183 Å²	183	133.2 Å²	133.2	96%	0.958	77%	0.769	S	S	*	*			trans	90.3	77.2	179.1	-56	161.3	0	0	0	116.6
34	S	27.9	Very low	33.4	Very low	129 Å²	129	138.3 Å²	138.3	90%	0.902	78%	0.781	S	S	*	*			trans	-143.4	95.7	143.8	67.8	0	0	0	0	109.3
35	G	26.4	Very low	32.6	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	80%	0.795	S	S	*	*			trans	-158.9	93.8	172	0	0	0	0	0	109.2
36	M	24.4	Very low	32	Very low	196 Å²	196	141.5 Å²	141.5	97%	0.966	80%	0.804	S	S	*	*			trans	172.2	125	140.3	-97.7	176.1	159.5	0	0	110.7
37	E	31.1	Very low	31.2	Very low	201 Å²	201	143.7 Å²	143.7	94%	0.939	81%	0.811	S	S	*	*			trans	-68.4	156.4	165.7	-68.5	170.8	127.2	0	0	111.6
38	G	26.3	Very low	30.3	Very low	67 Å²	67	148.3 Å²	148.3	69%	0.691	83%	0.826	S	S	*	*			trans	172.3	85.5	167.6	0	0	0	0	0	117
39	T	26.7	Very low	29.6	Very low	134 Å²	134	146 Å²	146	82%	0.822	83%	0.832	S	S	*	*			trans	38.5	130	137.5	50.9	0	0	0	0	124.9
40	K	28.1	Very low	28.8	Very low	216 Å²	216	142.3 Å²	142.3	94%	0.939	82%	0.824	S	S	*	*			trans	46	133.9	135.8	-73.8	-174.4	174.4	-177.8	0	121.9
41	G	24.6	Very low	28.3	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	82%	0.819	S	S	*	*			trans	163.7	130.5	151	0	0	0	0	0	115.4
42	E	27.5	Very low	28	Very low	191 Å²	191	141.8 Å²	141.8	89%	0.893	82%	0.815	S	S	*	*			trans	-75.2	168.7	-177.1	-86	169.8	132	0	0	116.4
43	E	27.5	Very low	27.9	Very low	140 Å²	140	147.1 Å²	147.1	65%	0.654	82%	0.821	S	S	*	*			trans	95.2	125.1	144.1	-90.9	-164.3	146.8	0	0	122.9
44	R	26.5	Very low	27.9	Very low	204 Å²	204	141 Å²	141	77%	0.77	80%	0.803	S	S	*	*			trans	83.7	123.4	140.9	-69.3	175.3	-164.2	-175.3	12.2	121.5
45	Q	28.7	Very low	28.9	Very low	182 Å²	182	141 Å²	141	85%	0.85	80%	0.798	S	S	*	*			trans	-69.8	157.8	151.8	-74.9	-178.2	-23.9	0	0	110.8
46	P	33.3	Very low	29.6	Very low	130 Å²	130	142 Å²	142	84%	0.844	79%	0.793	S	S	*	*				-139.5	167.6	103.6	33.4	-17.1	0	0	0	115.1
47	E	28.9	Very low	30.4	Very low	158 Å²	158	140 Å²	140	74%	0.738	78%	0.781	S	S	*	*			trans	-67.3	165.2	179.7	-84.2	-174.9	168.1	0	0	116.8
48	Q	27.9	Very low	30.8	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	77%	0.769	S	S	*	*			trans	93.5	109.9	143.3	-84.1	169.7	41.1	0	0	122.1
49	A	25.8	Very low	31.5	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	77%	0.765	S	S	*	*				99.2	135.1	122.1	0	0	0	0	0	122.3
50	A	25.8	Very low	32.2	Very low	91 Å²	91	137 Å²	137	75%	0.752	75%	0.752	S	S	*	*			trans	88.3	96.5	149.3	0	0	0	0	0	121.1
51	S	29.4	Very low	32.8	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	74%	0.738	S	S	*	*				38.6	147.7	123.2	76.6	0	0	0	0	123.9
52	L	27.5	Very low	33.8	Very low	138 Å²	138	138.8 Å²	138.8	72%	0.723	73%	0.734	S	S	*	*			trans	110.8	108.7	147.6	-70.2	149.6	0	0	0	118.4
53	F	30.7	Very low	34.8	Very low	206 Å²	206	133.5 Å²	133.5	90%	0.904	71%	0.711	S	S	*	*			trans	65.3	124.2	155.7	-67.7	-73.4	0	0	0	121.1
54	G	31.6	Very low	35.6	Very low	56 Å²	56	129.7 Å²	129.7	58%	0.577	70%	0.699	S	S	*	*			trans	147.3	38.4	158.3	0	0	0	0	0	118.3	S56	G54-S56 VanDerWaalsContact C-N 3.28Å; G54-S56 PolarHBondContact O-N 3.19Å
55	T	47.7	Very low	36.5	Very low	129 Å²	129	122.7 Å²	122.7	79%	0.791	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	51.2	-179.1	50.5	0	0	0	0	114.5
56	S	40.9	Very low	37.3	Very low	92 Å²	92	120.3 Å²	120.3	64%	0.643	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	-25.4	171	69	0	0	0	0	114.6	G54	G54-S56 VanDerWaalsContact C-N 3.28Å; G54-S56 PolarHBondContact O-N 3.19Å
57	E	41.8	Very low	37.8	Very low	155 Å²	155	123 Å²	123	72%	0.724	67%	0.667	S	S	*	*	H	α-helix	trans	-82.6	-33.2	178.2	-86.7	-177.8	142.9	0	0	113.9	E59 Q61	E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 3.08Å; E57-Q61 WeakPolarHBondContact O-CG 3.31Å; E57-Q61 PolarHBondContact O-N 3.26Å
58	L	39.8	Very low	38.6	Very low	132 Å²	132	124.5 Å²	124.5	69%	0.691	67%	0.667	S	S	*	*	H	α-helix	trans	-69.9	-27.6	176.9	-96.4	147.9	0	0	0	113.1	R62	L58-R62 PolarHBondContact O-N 2.73Å
59	E	40.9	Very low	39.5	Very low	127 Å²	127	124.5 Å²	124.5	59%	0.593	66%	0.664	S	S	*	*	H	α-helix	trans	-81.9	-35.6	-179.9	-153.6	137.1	-155.5	0	0	111.5	E57 R62 I63	E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 3.08Å; E59-R62 PolarHBondContact O-N 3.27Å; E59-I63 HydrophobicContact CG-CD1 4.43Å; E59-I63 WeakPolarHBondContact O-CD1 3.24Å; E59-I63 VanDerWaalsContact O-CG1 3.23Å; E59-I63 WeakPolarHBondContact O-CG1 3Å; E59-I63 PolarHBondContact O-N 2.99Å
60	S	41.3	Very low	40.5	Very low	80 Å²	80	127.1 Å²	127.1	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-60.5	-43.9	169.9	169.7	0	0	0	0	112.4	S64	S60-S64 WeakPolarHBondContact O-CB 3.36Å; S60-S64 PolarHBondContact O-N 3.27Å; S60-S64 VanDerWaalsContact O-N 3.11Å
61	Q	41.3	Very low	41.5	Very low	136 Å²	136	130.4 Å²	130.4	64%	0.636	65%	0.65	S	S	*	*	H	α-helix	trans	-69.9	-36.1	178.4	-71	-176	-3.6	0	0	112.8	E57 S64 A65	E57-Q61 WeakPolarHBondContact O-CG 3.31Å; E57-Q61 PolarHBondContact O-N 3.26Å; Q61-S64 PolarHBondContact O-N 2.91Å; Q61-A65 WeakPolarHBondContact O-CB 3.38Å; Q61-A65 PolarHBondContact O-N 3.47Å
62	R	44.8	Very low	42.5	Very low	198 Å²	198	130.3 Å²	130.3	75%	0.747	64%	0.641	S	S	*	*	H	α-helix	trans	-66.1	-42.9	174.2	-108.7	179.1	174.8	175.6	-0.6	112.7	L58 E59 S64 A65 E66	L58-R62 PolarHBondContact O-N 2.73Å; E59-R62 PolarHBondContact O-N 3.27Å; R62-S64 VanDerWaalsContact C-N 3.32Å; R62-S64 PolarHBondContact O-N 3.28Å; R62-A65 PolarHBondContact O-N 3.07Å; R62-E66 PolarHBondContact O-N 2.99Å
63	I	47.8	Very low	43.8	Very low	81 Å²	81	129.5 Å²	129.5	42%	0.415	63%	0.634	S	S	.	*	H	α-helix	trans	-65.7	-36.1	178	-67.7	166.4	0	0	0	111	E59 R67	E59-I63 HydrophobicContact CG-CD1 4.43Å; E59-I63 WeakPolarHBondContact O-CD1 3.24Å; E59-I63 VanDerWaalsContact O-CG1 3.23Å; E59-I63 WeakPolarHBondContact O-CG1 3Å; E59-I63 PolarHBondContact O-N 2.99Å; I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 VanDerWaalsContact O-CG 3.27Å; I63-R67 WeakPolarHBondContact O-CG 3.5Å; I63-R67 PolarHBondContact O-N 2.66Å
64	S	45.9	Very low	45	Very low	59 Å²	59	128.4 Å²	128.4	41%	0.413	62%	0.623	S	S	.	*	H	α-helix	trans	-66.2	-42.4	174	-176.4	0	0	0	0	112.6	S60 Q61 R62 R67 R68	S60-S64 WeakPolarHBondContact O-CB 3.36Å; S60-S64 PolarHBondContact O-N 3.27Å; S60-S64 VanDerWaalsContact O-N 3.11Å; Q61-S64 PolarHBondContact O-N 2.91Å; R62-S64 VanDerWaalsContact C-N 3.32Å; R62-S64 PolarHBondContact O-N 3.28Å; S64-R67 PolarHBondContact O-N 3.28Å; S64-R68 PolarHBondContact O-N 3.11Å
65	A	43.4	Very low	46.1	Very low	58 Å²	58	127.4 Å²	127.4	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-66.2	-40.5	176.6	0	0	0	0	0	112.6	Q61 R62 R68 K69	Q61-A65 WeakPolarHBondContact O-CB 3.38Å; Q61-A65 PolarHBondContact O-N 3.47Å; R62-A65 PolarHBondContact O-N 3.07Å; A65-R68 PolarHBondContact O-N 2.79Å; A65-K69 WeakPolarHBondContact O-CB 3.33Å; A65-K69 PolarHBondContact O-N 3.32Å
66	E	46.4	Very low	46.6	Very low	132 Å²	132	128.1 Å²	128.1	62%	0.617	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-36.8	175.6	-77.5	-169.1	157.3	0	0	113	R62 K69 K70	R62-E66 PolarHBondContact O-N 2.99Å; E66-K69 PolarHBondContact O-N 3.31Å; E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 3.43Å
67	R	44.7	Very low	47.6	Very low	185 Å²	185	128.1 Å²	128.1	70%	0.698	59%	0.591	S	S	*	*	H	α-helix	trans	-64.2	-40	173	-77	177.2	-179	-169.3	1.8	111.7	I63 S64 R71	I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 VanDerWaalsContact O-CG 3.27Å; I63-R67 WeakPolarHBondContact O-CG 3.5Å; I63-R67 PolarHBondContact O-N 2.66Å; S64-R67 PolarHBondContact O-N 3.28Å; R67-R71 WeakPolarHBondContact O-CB 3.27Å; R67-R71 PolarHBondContact O-N 3.33Å
68	R	45.2	Very low	48.6	Very low	191 Å²	191	125.3 Å²	125.3	72%	0.721	58%	0.58	S	S	*	*	H	α-helix	trans	-65.1	-40.2	173	-83.7	178.2	171	174.3	-2.9	112.4	S64 A65 R71 N72	S64-R68 PolarHBondContact O-N 3.11Å; A65-R68 PolarHBondContact O-N 2.79Å; R68-R71 PolarHBondContact O-N 2.98Å; R68-N72 PolarHBondContact O-N 3.41Å
69	K	46.8	Very low	50	Low	168 Å²	168	124 Å²	124	73%	0.73	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-40.3	177.6	-147.6	174.1	-173.7	179	0	112.2	A65 E66 N72 H73	A65-K69 WeakPolarHBondContact O-CB 3.33Å; A65-K69 PolarHBondContact O-N 3.32Å; E66-K69 PolarHBondContact O-N 3.31Å; K69-N72 PolarHBondContact O-N 3.35Å; K69-H73 PolarHBondContact O-N 3.39Å
70	K	47.2	Very low	51.2	Low	154 Å²	154	119.8 Å²	119.8	67%	0.67	56%	0.564	S	S	*	*	H	α-helix	trans	-64.5	-38.9	172.7	-91.9	178.9	175.8	170.7	0	112.8	E66 H73 R74	E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 3.43Å; K70-H73 PolarHBondContact O-N 3.01Å; K70-R74 WeakPolarHBondContact O-CG 3.42Å; K70-R74 PolarHBondContact O-N 3.16Å
71	R	47.2	Very low	52.6	Low	160 Å²	160	119.9 Å²	119.9	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-40.3	177.4	-172.5	172.8	162.3	-178.7	-6.8	112	N26 R67 R68 R74 C75	N26-R71 PolarHBondContact O-NH2 3.32Å; R67-R71 WeakPolarHBondContact O-CB 3.27Å; R67-R71 PolarHBondContact O-N 3.33Å; R68-R71 PolarHBondContact O-N 2.98Å; R71-R74 PolarHBondContact O-N 2.96Å; R71-C75 PolarHBondContact O-N 3.12Å; R71-C75 VanDerWaalsContact O-N 3.11Å; R71-C75 PolarHBondContact O-SG 3.47Å
72	N	49.9	Very low	53.9	Low	100 Å²	100	116.3 Å²	116.3	54%	0.535	55%	0.554	S	S	.	*	H	α-helix	trans	-68.5	-36.7	176.8	-152.4	-5.8	0	0	0	112.1	R68 K69 C75 K76	R68-N72 PolarHBondContact O-N 3.41Å; K69-N72 PolarHBondContact O-N 3.35Å; N72-C75 PolarHBondContact O-N 3.25Å; N72-K76 WeakPolarHBondContact O-CG 3.35Å; N72-K76 PolarHBondContact O-N 3.08Å
73	H	54.9	Low	55	Low	121 Å²	121	112 Å²	112	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-67.9	-40	174.6	-164.1	65.5	0	0	0	112.7	K69 K70 C75 K76 I77	K69-H73 PolarHBondContact O-N 3.39Å; K70-H73 PolarHBondContact O-N 3.01Å; H73-C75 PolarHBondContact O-N 3.06Å; H73-K76 PolarHBondContact O-N 3.45Å; H73-I77 WeakPolarHBondContact O-CG1 3.31Å; H73-I77 PolarHBondContact O-N 2.98Å; H73-I77 VanDerWaalsContact O-N 3.09Å
74	R	55.9	Low	55.9	Low	182 Å²	182	113.1 Å²	113.1	69%	0.687	55%	0.552	S	S	*	*	H	α-helix	trans	-62.6	-39.4	173.7	-77.9	-176.2	175.1	-171.9	-1.8	112.6	K70 R71 I77 I78	K70-R74 WeakPolarHBondContact O-CG 3.42Å; K70-R74 PolarHBondContact O-N 3.16Å; R71-R74 PolarHBondContact O-N 2.96Å; R74-I77 PolarHBondContact O-N 3.45Å; R74-I78 VanDerWaalsContact O-CG1 3.26Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.02Å
75	C	54.9	Low	56.9	Low	36 Å²	36	113.7 Å²	113.7	24%	0.243	56%	0.555	C	S	.	*	H	α-helix	trans	-63.8	-40.8	175.8	-67.1	0	0	0	0	112	R71 N72 H73 I77 I78 I79	R71-C75 PolarHBondContact O-N 3.12Å; R71-C75 VanDerWaalsContact O-N 3.11Å; R71-C75 PolarHBondContact O-SG 3.47Å; N72-C75 PolarHBondContact O-N 3.25Å; H73-C75 PolarHBondContact O-N 3.06Å; C75-I77 PolarHBondContact O-N 2.84Å; C75-I78 PolarHBondContact O-N 3.17Å; C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.5Å; C75-I79 PolarHBondContact O-N 2.95Å
76	K	56.9	Low	58.1	Low	144 Å²	144	116.1 Å²	116.1	63%	0.626	56%	0.559	S	S	*	*	H	α-helix	trans	-63.9	-38.6	175.6	-71.1	-177.5	178.8	-172.4	0	113.1	N72 H73 G80	N72-K76 WeakPolarHBondContact O-CG 3.35Å; N72-K76 PolarHBondContact O-N 3.08Å; H73-K76 PolarHBondContact O-N 3.45Å; K76-G80 PolarHBondContact O-N 3.04Å
77	I	62.8	Low	59.3	Low	91 Å²	91	115 Å²	115	47%	0.467	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-44.4	175.9	-67.7	169.6	0	0	0	110.7	H73 R74 C75 I79 G80 V81	H73-I77 WeakPolarHBondContact O-CG1 3.31Å; H73-I77 PolarHBondContact O-N 2.98Å; H73-I77 VanDerWaalsContact O-N 3.09Å; R74-I77 PolarHBondContact O-N 3.45Å; C75-I77 PolarHBondContact O-N 2.84Å; I77-I79 PolarHBondContact O-N 3.18Å; I77-G80 PolarHBondContact O-N 3.19Å; I77-V81 HydrophobicContact CG2-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.41Å; I77-V81 PolarHBondContact O-N 3.41Å
78	I	63.2	Low	60.7	Low	96 Å²	96	110.9 Å²	110.9	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-41.6	-179.5	-67.5	166.3	0	0	0	111.1	R74 C75 G80 V81 A82	R74-I78 VanDerWaalsContact O-CG1 3.26Å; R74-I78 WeakPolarHBondContact O-CG1 3.43Å; R74-I78 PolarHBondContact O-N 3.02Å; C75-I78 PolarHBondContact O-N 3.17Å; I78-G80 VanDerWaalsContact C-N 3.35Å; I78-V81 PolarHBondContact O-N 3.39Å; I78-A82 WeakPolarHBondContact O-CB 3.44Å; I78-A82 PolarHBondContact O-N 2.71Å
79	I	68.6	Low	62.1	Low	104 Å²	104	106.1 Å²	106.1	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-41.8	174.4	-67.6	166.6	0	0	0	110.8	C75 I77 V81 A82 L83	C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.5Å; C75-I79 PolarHBondContact O-N 2.95Å; I77-I79 PolarHBondContact O-N 3.18Å; I79-V81 PolarHBondContact O-N 3.15Å; I79-A82 PolarHBondContact O-N 2.68Å; I79-L83 HydrophobicContact CG2-CD1 3.96Å; I79-L83 HydrophobicContact CG2-CG 4.5Å; I79-L83 WeakPolarHBondContact O-CG 3.41Å; I79-L83 PolarHBondContact O-N 3.21Å
80	G	66.1	Low	63.3	Low	39 Å²	39	103.1 Å²	103.1	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176	0	0	0	0	0	113.2	K76 I77 I78 L83 L84	K76-G80 PolarHBondContact O-N 3.04Å; I77-G80 PolarHBondContact O-N 3.19Å; I78-G80 VanDerWaalsContact C-N 3.35Å; G80-L83 PolarHBondContact O-N 3.48Å; G80-L84 WeakPolarHBondContact O-CB 2.92Å; G80-L84 PolarHBondContact O-N 2.89Å
81	V	71.4	Confident	64.4	Low	83 Å²	83	99.2 Å²	99.2	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-40.7	176.6	173.8	0	0	0	0	111.2	I77 I78 I79 L83 L84 C85	I77-V81 HydrophobicContact CG2-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.41Å; I77-V81 PolarHBondContact O-N 3.41Å; I78-V81 PolarHBondContact O-N 3.39Å; I79-V81 PolarHBondContact O-N 3.15Å; V81-L83 PolarHBondContact O-N 2.85Å; V81-L84 PolarHBondContact O-N 3.26Å; V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 2.81Å; V81-C85 VanDerWaalsContact O-SG 3.35Å
82	A	67.6	Low	65.2	Low	60 Å²	60	95.2 Å²	95.2	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.9	0	0	0	0	0	112.2	I78 I79 C85 L86	I78-A82 WeakPolarHBondContact O-CB 3.44Å; I78-A82 PolarHBondContact O-N 2.71Å; I79-A82 PolarHBondContact O-N 2.68Å; A82-C85 PolarHBondContact O-N 2.8Å; A82-L86 PolarHBondContact O-N 3.39Å
83	L	68.8	Low	65.9	Low	107 Å²	107	94.6 Å²	94.6	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-66	-38.5	175.9	-72.9	169	0	0	0	112.2	I79 G80 V81 L86 L87	I79-L83 HydrophobicContact CG2-CD1 3.96Å; I79-L83 HydrophobicContact CG2-CG 4.5Å; I79-L83 WeakPolarHBondContact O-CG 3.41Å; I79-L83 PolarHBondContact O-N 3.21Å; G80-L83 PolarHBondContact O-N 3.48Å; V81-L83 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 2.76Å; L83-L87 WeakPolarHBondContact O-CB 3.26Å; L83-L87 PolarHBondContact O-N 2.92Å
84	L	65.3	Low	66	Low	106 Å²	106	91.6 Å²	91.6	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-43	175.8	-172	68.3	0	0	0	111.7	G80 V81 L86 L87 I88	G80-L84 WeakPolarHBondContact O-CB 2.92Å; G80-L84 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact O-N 3.26Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 2.01Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-I88 HydrophobicContact CG-CD1 4.37Å; L84-I88 WeakPolarHBondContact O-CG1 3.08Å; L84-I88 PolarHBondContact O-N 2.82Å
85	C	66.9	Low	66.1	Low	71 Å²	71	88.1 Å²	88.1	48%	0.48	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-40.3	174.8	-72.3	0	0	0	0	112	V81 A82 L87 I88 V89	V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 2.81Å; V81-C85 VanDerWaalsContact O-SG 3.35Å; A82-C85 PolarHBondContact O-N 2.8Å; C85-L87 VanDerWaalsContact C-N 3.34Å; C85-I88 PolarHBondContact O-N 3.42Å; C85-V89 WeakPolarHBondContact O-CG2 3.44Å; C85-V89 PolarHBondContact O-N 3Å; C85-V89 VanDerWaalsContact O-N 3.1Å
86	L	70.4	Confident	65.7	Low	109 Å²	109	90.7 Å²	90.7	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-41	176.1	-154.3	88.5	0	0	0	111.5	A82 L83 L84 V89 I90	A82-L86 PolarHBondContact O-N 3.39Å; L83-L86 PolarHBondContact O-N 2.76Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 2.01Å; L86-V89 PolarHBondContact O-N 2.98Å; L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 2.89Å
87	L	70.6	Confident	65.2	Low	109 Å²	109	91.9 Å²	91.9	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-66.8	-39.5	179.3	-151.5	120.2	0	0	0	111.8	L83 L84 C85 I90 V91	L83-L87 WeakPolarHBondContact O-CB 3.26Å; L83-L87 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 3.47Å; C85-L87 VanDerWaalsContact C-N 3.34Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 3.5Å
88	I	74.1	Confident	64.2	Low	97 Å²	97	96.9 Å²	96.9	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-59.9	-49.2	173.3	-69	166.6	0	0	0	109.7	L84 C85 I90 V91 T92	L84-I88 HydrophobicContact CG-CD1 4.37Å; L84-I88 WeakPolarHBondContact O-CG1 3.08Å; L84-I88 PolarHBondContact O-N 2.82Å; C85-I88 PolarHBondContact O-N 3.42Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.53Å; I88-V91 PolarHBondContact O-N 3.4Å; I88-V91 VanDerWaalsContact O-N 3.14Å; I88-T92 PolarHBondContact O-N 3.09Å; I88-T92 PolarHBondContact O-OG1 3.35Å
89	V	73.6	Confident	63	Low	92 Å²	92	97.4 Å²	97.4	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-58.4	-42.5	178.9	172.7	0	0	0	0	111.9	C85 L86 T92 V93	C85-V89 WeakPolarHBondContact O-CG2 3.44Å; C85-V89 PolarHBondContact O-N 3Å; C85-V89 VanDerWaalsContact O-N 3.1Å; L86-V89 PolarHBondContact O-N 2.98Å; V89-T92 PolarHBondContact O-N 3.07Å; V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.34Å; V89-V93 PolarHBondContact O-N 2.77Å
90	I	73.2	Confident	61.4	Low	105 Å²	105	95.8 Å²	95.8	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-62.9	-43.3	177.4	-68.1	166.3	0	0	0	111.1	L86 L87 I88 V93 A94	L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 2.89Å; L87-I90 PolarHBondContact O-N 2.86Å; I88-I90 VanDerWaalsContact C-N 3.32Å; I88-I90 PolarHBondContact O-N 2.53Å; I90-V93 PolarHBondContact O-N 3.16Å; I90-A94 WeakPolarHBondContact O-CB 3.22Å; I90-A94 PolarHBondContact O-N 2.69Å
91	V	69.6	Low	59.7	Low	71 Å²	71	99.2 Å²	99.2	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-65.9	-41.2	178.3	171.8	0	0	0	0	111.2	L87 I88 V93 A94 I95	L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.42Å; L87-V91 PolarHBondContact O-N 3.5Å; I88-V91 PolarHBondContact O-N 3.4Å; I88-V91 VanDerWaalsContact O-N 3.14Å; V91-V93 VanDerWaalsContact C-N 3.34Å; V91-V93 PolarHBondContact O-N 2.88Å; V91-A94 PolarHBondContact O-N 3.09Å; V91-I95 HydrophobicContact CG1-CD1 3.64Å; V91-I95 HydrophobicContact CG1-CG1 4.33Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.22Å; V91-I95 PolarHBondContact O-N 3.15Å
92	T	64.2	Low	57.6	Low	76 Å²	76	105.7 Å²	105.7	47%	0.466	61%	0.607	S	S	.	*	H	α-helix	trans	-66.8	-35.6	178.7	-27.7	0	0	0	0	112.3	I88 V89 S96	I88-T92 PolarHBondContact O-N 3.09Å; I88-T92 PolarHBondContact O-OG1 3.35Å; V89-T92 PolarHBondContact O-N 3.07Å; T92-S96 WeakPolarHBondContact O-CB 3.22Å; T92-S96 PolarHBondContact O-N 2.78Å; T92-S96 PolarHBondContact O-OG 3.31Å
93	V	65.9	Low	55.7	Low	87 Å²	87	107.9 Å²	107.9	53%	0.527	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-41.3	173.8	172.4	0	0	0	0	110.9	V89 I90 V91 I95 S96 H97	V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.34Å; V89-V93 PolarHBondContact O-N 2.77Å; I90-V93 PolarHBondContact O-N 3.16Å; V91-V93 VanDerWaalsContact C-N 3.34Å; V91-V93 PolarHBondContact O-N 2.88Å; V93-I95 PolarHBondContact O-N 3.04Å; V93-S96 PolarHBondContact O-N 3.27Å; V93-H97 PolarHBondContact O-N 2.92Å; V93-H97 VanDerWaalsContact O-N 3.14Å
94	A	55.6	Low	53.8	Low	58 Å²	58	109.3 Å²	109.3	48%	0.479	63%	0.632	S	S	.	*	H	α-helix	trans	-65.9	-36.1	177	0	0	0	0	0	113	I90 V91 K98	I90-A94 WeakPolarHBondContact O-CB 3.22Å; I90-A94 PolarHBondContact O-N 2.69Å; V91-A94 PolarHBondContact O-N 3.09Å; A94-K98 PolarHBondContact O-N 2.98Å
95	I	58.6	Low	51.9	Low	110 Å²	110	108.8 Å²	108.8	56%	0.564	64%	0.643	S	S	*	*	H	α-helix	trans	-71.3	-38.4	175.5	-67.2	168.2	0	0	0	110.8	V91 V93 H97 K98	V91-I95 HydrophobicContact CG1-CD1 3.64Å; V91-I95 HydrophobicContact CG1-CG1 4.33Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.22Å; V91-I95 PolarHBondContact O-N 3.15Å; V93-I95 PolarHBondContact O-N 3.04Å; I95-H97 VanDerWaalsContact C-N 3.25Å; I95-H97 PolarHBondContact O-N 3.05Å; I95-K98 PolarHBondContact O-N 2.85Å
96	S	47.2	Very low	50	Low	90 Å²	90	114.4 Å²	114.4	63%	0.629	66%	0.662	S	S	*	*	H	α-helix	trans	-65.5	-27.8	176.8	-60.7	0	0	0	0	112.8	T92 V93	T92-S96 WeakPolarHBondContact O-CB 3.22Å; T92-S96 PolarHBondContact O-N 2.78Å; T92-S96 PolarHBondContact O-OG 3.31Å; V93-S96 PolarHBondContact O-N 3.27Å
97	H	46	Very low	47.8	Very low	169 Å²	169	119.2 Å²	119.2	78%	0.782	68%	0.679	S	S	*	*	H	α-helix	trans	-80	-17.8	175.8	-116.5	-56.7	0	0	0	114.5	V93 I95	V93-H97 PolarHBondContact O-N 2.92Å; V93-H97 VanDerWaalsContact O-N 3.14Å; I95-H97 VanDerWaalsContact C-N 3.25Å; I95-H97 PolarHBondContact O-N 3.05Å
98	K	41.6	Very low	45.7	Very low	196 Å²	196	120.2 Å²	120.2	85%	0.852	69%	0.69	S	S	*	*	H	α-helix	trans	-94.8	-5.2	-179.9	-100.3	-176.9	175.7	-179.7	0	114.6	A94 I95	A94-K98 PolarHBondContact O-N 2.98Å; I95-K98 PolarHBondContact O-N 2.85Å
99	S	36.7	Very low	43.6	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	71%	0.709	S	S	*	*	S	Bend	trans	-94.4	16.6	-175.1	-178.8	0	0	0	0	114.8
100	G	36.3	Very low	41.3	Very low	70 Å²	70	121.9 Å²	121.9	72%	0.722	72%	0.72	S	S	*	*			trans	-125.3	65.2	-177.2	0	0	0	0	0	113.6
101	S	29.1	Very low	39.1	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	73%	0.734	S	S	*	*			trans	-178.4	106	151.4	-176.1	0	0	0	0	110.6
102	K	29	Very low	37	Very low	218 Å²	218	132.3 Å²	132.3	95%	0.948	76%	0.758	S	S	*	*			trans	-131.5	103.5	153.8	-84.6	-171.6	178	-178.9	0	106.7
103	S	26.9	Very low	35.2	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	78%	0.776	S	S	*	*			trans	-133.4	132.3	160.1	-175.9	0	0	0	0	108.4
104	T	28.3	Very low	33.4	Very low	136 Å²	136	138.1 Å²	138.1	83%	0.834	79%	0.786	S	S	*	*			trans	-56.1	135	175.9	41.4	0	0	0	0	113
105	A	26.9	Very low	32.8	Very low	95 Å²	95	140.9 Å²	140.9	79%	0.785	80%	0.799	S	S	*	*			trans	-154.3	135.3	156.5	0	0	0	0	0	112
106	H	26.9	Very low	31.4	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.875	81%	0.81	S	S	*	*			trans	-53.2	142.7	172.1	-84.2	-93.1	0	0	0	113.1
107	F	24.5	Very low	30.4	Very low	210 Å²	210	140.5 Å²	140.5	92%	0.921	82%	0.817	S	S	*	*			trans	-88.8	123.3	167.1	-105.4	-93.6	0	0	0	110.3
108	T	26	Very low	29.6	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	82%	0.823	S	S	*	*			trans	-104.1	147.3	157.2	39.4	0	0	0	0	109.5
109	T	28.8	Very low	29.3	Very low	147 Å²	147	136.2 Å²	136.2	90%	0.902	81%	0.814	S	S	*	*			trans	-68.9	147.7	-178.9	46.1	0	0	0	0	113.1
110	G	25.6	Very low	29.1	Very low	77 Å²	77	137.1 Å²	137.1	79%	0.794	82%	0.818	S	S	*	*			trans	-165.9	112.8	168.5	0	0	0	0	0	111.9
111	D	26.9	Very low	28.9	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	82%	0.823	S	S	*	*			trans	-70.8	147.8	176.9	-62	-55.4	0	0	0	113.1
112	Y	25.5	Very low	29	Very low	241 Å²	241	143.8 Å²	143.8	95%	0.945	83%	0.828	S	S	*	*			trans	-156.6	112.9	151.4	-103	-80.2	0	0	0	110.2
113	E	26.8	Very low	28.8	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	82%	0.823	S	S	*	*			trans	-74.6	158.1	158.6	-64.8	-178.1	143.9	0	0	108.8
114	S	28.3	Very low	29	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	83%	0.827	S	S	*	*			cis	-177.3	-169.9	28.6	-124.6	0	0	0	0	107.1
115	P	42.5	Very low	29.1	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	82%	0.821	S	S	*	*			cis	-135.7	166.7	-35.4	35.7	-17.4	0	0	0	114.3
116	A	29.1	Very low	29.3	Very low	98 Å²	98	144.9 Å²	144.9	81%	0.81	82%	0.817	S	S	*	*			trans	149.9	103.8	130.5	0	0	0	0	0	116
117	A	26.9	Very low	29.7	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	81%	0.812	S	S	*	*			trans	60.5	115.4	135.6	0	0	0	0	0	123.8
118	L	30.1	Very low	30.1	Very low	171 Å²	171	142 Å²	142	90%	0.895	81%	0.808	S	S	*	*				178.2	154.6	114	-89.5	162	0	0	0	110.7
119	P	34.6	Very low	30.7	Very low	104 Å²	104	141.3 Å²	141.3	68%	0.675	81%	0.808	S	S	*	*			trans	-84.6	168.8	-155	35.3	-36.7	0	0	0	115.5	H121	P119-H121 PolarHBondContact O-N 3.01Å
120	P	31.5	Very low	30.9	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	80%	0.801	S	S	*	*			trans	-87.4	114.6	-158.9	33.7	-30.7	0	0	0	112.6
121	H	31.8	Very low	31.4	Very low	180 Å²	180	144.4 Å²	144.4	83%	0.833	81%	0.805	S	S	*	*			trans	-81.6	127	148	-79.5	-71	0	0	0	108	P119 R123	P119-H121 PolarHBondContact O-N 3.01Å; H121-R123 VanDerWaalsContact C-N 3.29Å; H121-R123 PolarHBondContact O-N 2.83Å
122	T	31.1	Very low	31.9	Very low	141 Å²	141	142.1 Å²	142.1	87%	0.865	80%	0.796	S	S	*	*			trans	-52.2	91.6	169.7	29.8	0	0	0	0	110.2	V124	T122-V124 PolarHBondContact O-N 3.37Å
123	R	26.1	Very low	32.5	Very low	228 Å²	228	140.3 Å²	140.3	86%	0.86	80%	0.796	S	S	*	*			trans	-78.1	99.1	171.3	-165.2	-177.5	-102.1	-171.8	-4.7	106.1	H121 T125	H121-R123 VanDerWaalsContact C-N 3.29Å; H121-R123 PolarHBondContact O-N 2.83Å; R123-T125 VanDerWaalsContact C-N 3.34Å; R123-T125 PolarHBondContact O-N 2.81Å
124	V	31.6	Very low	33.2	Very low	136 Å²	136	134.6 Å²	134.6	82%	0.824	79%	0.786	S	S	*	*			trans	-60.4	104.3	162.9	177.2	0	0	0	0	105.9	T122 S126	T122-V124 PolarHBondContact O-N 3.37Å; V124-S126 PolarHBondContact O-N 3.03Å
125	T	28.5	Very low	34.6	Very low	114 Å²	114	132.1 Å²	132.1	70%	0.699	78%	0.777	S	S	*	*			trans	-63.2	115.6	171.6	43.9	0	0	0	0	108.2	R123	R123-T125 VanDerWaalsContact C-N 3.34Å; R123-T125 PolarHBondContact O-N 2.81Å
126	S	31.2	Very low	36	Very low	101 Å²	101	127.7 Å²	127.7	71%	0.706	75%	0.749	S	S	*	*			trans	-51.6	129.2	161.6	173	0	0	0	0	108.8	V124 R128	V124-S126 PolarHBondContact O-N 3.03Å; S126-R128 PolarHBondContact O-N 2.84Å
127	P	35.3	Very low	38.4	Very low	119 Å²	119	127.7 Å²	127.7	77%	0.773	74%	0.735	S	S	*	*			trans	-68.1	108.5	171.2	-2	17.1	0	0	0	107.2	S129	P127-S129 PolarHBondContact O-N 3.07Å
128	R	33.2	Very low	41.4	Very low	220 Å²	220	123.2 Å²	123.2	83%	0.83	70%	0.698	S	S	*	*			trans	-50.1	130.4	157.8	-85.7	177.7	171.7	174.6	-2.5	107.9	S126 H130	S126-R128 PolarHBondContact O-N 2.84Å; R128-H130 PolarHBondContact O-N 3.31Å
129	S	40	Very low	44	Very low	114 Å²	114	118.7 Å²	118.7	80%	0.797	67%	0.671	S	S	*	*			trans	-25.8	96.3	168.3	58.4	0	0	0	0	113.1	P127 S131	P127-S129 PolarHBondContact O-N 3.07Å; S129-S131 PolarHBondContact O-N 3.3Å
130	H	32	Very low	46.3	Very low	165 Å²	165	120.5 Å²	120.5	76%	0.764	67%	0.668	S	S	*	*			trans	-90.5	92.2	160	-83.7	-14.8	0	0	0	106.9	R128 V132	R128-H130 PolarHBondContact O-N 3.31Å; H130-V132 HydrophobicContact CB-CG2 3.94Å; H130-V132 PolarHBondContact O-N 2.85Å
131	S	37.2	Very low	48.8	Very low	124 Å²	124	115.8 Å²	115.8	87%	0.867	64%	0.635	S	S	*	*			trans	-66.9	82.7	150.8	57.9	0	0	0	0	107.2	S129	S129-S131 PolarHBondContact O-N 3.3Å
132	V	36.3	Very low	51.1	Low	106 Å²	106	113.6 Å²	113.6	64%	0.642	63%	0.634	S	S	*	*			trans	-111.7	131.9	166.7	175.8	0	0	0	0	105.7	H130 G134	H130-V132 HydrophobicContact CB-CG2 3.94Å; H130-V132 PolarHBondContact O-N 2.85Å; V132-G134 PolarHBondContact O-N 2.93Å
133	E	38.6	Very low	53.5	Low	203 Å²	203	112.2 Å²	112.2	95%	0.949	62%	0.618	S	S	*	*	S	Bend	trans	-46	101.2	173.8	-67.6	173.8	146.2	0	0	110.9
134	G	40.4	Very low	56.1	Low	61 Å²	61	106.1 Å²	106.1	63%	0.629	60%	0.599	S	S	*	*			trans	176.1	101.3	-177.5	0	0	0	0	0	111	V132	V132-G134 PolarHBondContact O-N 2.93Å
135	G	58	Low	58.5	Low	53 Å²	53	99.9 Å²	99.9	55%	0.546	56%	0.561	S	S	.	*			trans	-58.1	159.5	-177.9	0	0	0	0	0	114.5	L137	G135-L137 PolarHBondContact O-N 2Å
136	S	71.8	Confident	61.1	Low	23 Å²	23	96.4 Å²	96.4	16%	0.161	55%	0.548	C	S	.	.			trans	-35.8	129	-176.8	155.9	0	0	0	0	113.8	W138 K139 D352	S136-W138 PolarHBondContact OG-N 2.69Å; S136-K139 PolarHBondContact O-N 3.32Å; S136-K139 PolarHBondContact OG-N 3.08Å; S136-D352 VanDerWaalsContact CA-OD2 3.29Å; S136-D352 WeakPolarHBondContact CA-OD2 3.47Å; S136-D352 WeakPolarHBondContact CB-OD2 3.35Å; S136-D352 VanDerWaalsContact OG-CG 3.3Å; S136-D352 PolarHBondContact OG-OD1 3.04Å; S136-D352 PolarHBondContact OG-OD2 2.64Å
137	L	79.4	Confident	63.7	Low	97 Å²	97	97.9 Å²	97.9	51%	0.508	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-44.4	-179.3	-67.8	172	0	0	0	110.5	G135 K139 K140 D352 F355 T356	G135-L137 PolarHBondContact O-N 2Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.82Å; L137-K140 PolarHBondContact O-N 3.32Å; L137-D352 PolarHBondContact N-OD1 3.15Å; L137-D352 VanDerWaalsContact N-OD1 3.16Å; L137-F355 HydrophobicContact CB-CD1 4.19Å; L137-F355 HydrophobicContact CB-CE1 4.4Å; L137-T356 HydrophobicContact CD1-CG2 4.23Å
138	W	90.9	Very high	66.3	Low	0 Å²	0	94.1 Å²	94.1	0%	0	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-66.7	-33.9	176.6	175.4	81.5	0	0	0	112.3	S136 K140 F141 V181 K184 L185 M351 D352 F355 Y498	S136-W138 PolarHBondContact OG-N 2.69Å; W138-K140 PolarHBondContact O-N 3.07Å; W138-F141 VanDerWaalsContact O-CB 3.23Å; W138-F141 WeakPolarHBondContact O-CB 2.94Å; W138-F141 PolarHBondContact O-N 2.64Å; W138-V181 HydrophobicContact CZ3-CG1 4.03Å; W138-K184 HydrophobicContact CE3-CD 4.11Å; W138-K184 HydrophobicContact CH2-CB 3.88Å; W138-K184 HydrophobicContact CH2-CD 3.59Å; W138-K184 HydrophobicContact CH2-CG 3.53Å; W138-K184 HydrophobicContact CZ2-CD 4.2Å; W138-K184 HydrophobicContact CZ2-CG 4.23Å; W138-K184 HydrophobicContact CZ3-CB 4.07Å; W138-K184 HydrophobicContact CZ3-CD 3.54Å; W138-K184 HydrophobicContact CZ3-CG 3.92Å; W138-K184 WeakPolarHBondContact O-CE 3.31Å; W138-L185 HydrophobicContact CH2-CD2 3.54Å; W138-L185 HydrophobicContact CH2-CG 3.62Å; W138-L185 HydrophobicContact CZ2-CD2 3.64Å; W138-L185 HydrophobicContact CZ2-CG 4.25Å; W138-L185 HydrophobicContact CZ3-CD2 4.5Å; W138-L185 HydrophobicContact CZ3-CG 4.36Å; W138-M351 HydrophobicContact CB-CB 4.14Å; W138-M351 HydrophobicContact CD2-CB 3.63Å; W138-M351 HydrophobicContact CD2-CE 4.05Å; W138-M351 HydrophobicContact CD2-CG 4.06Å; W138-M351 VanDerWaalsContact CE2-CE 3.46Å; W138-M351 HydrophobicContact CE3-CB 3.74Å; W138-M351 HydrophobicContact CE3-CG 4.04Å; W138-M351 HydrophobicContact CG-CB 3.79Å; W138-M351 HydrophobicContact CG-CE 4.29Å; W138-M351 HydrophobicContact CH2-CG 4.45Å; W138-M351 HydrophobicContact CZ2-CE 3.83Å; W138-M351 HydrophobicContact CZ2-CG 4.46Å; W138-M351 HydrophobicContact CZ3-CB 4.42Å; W138-M351 HydrophobicContact CZ3-CG 4.24Å; W138-M351 VanDerWaalsContact NE1-CE 3.33Å; W138-D352 VanDerWaalsContact CB-OD1 3.29Å; W138-D352 WeakPolarHBondContact CB-OD1 3.47Å; W138-D352 PolarHBondContact N-OD1 3.39Å; W138-F355 HydrophobicContact CB-CB 4.23Å; W138-F355 HydrophobicContact CB-CD2 4.47Å; W138-F355 HydrophobicContact CB-CG 4.48Å; W138-Y498 HydrophobicContact CZ2-CE1 4.34Å; W138-Y498 HydrophobicContact CZ2-CE2 4.09Å; W138-Y498 AromaticContact CZ2-CZ 3.8Å; W138-Y498 AromaticContact NE1-CZ 3.84Å; W138-Y498 PolarHBondContact NE1-OH 3.05Å; W138-Y498 VanDerWaalsContact NE1-OH 3.13Å
139	K	84.3	Confident	69.2	Low	77 Å²	77	89 Å²	89	34%	0.335	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-58.3	-32.2	176	-84.7	-173.5	172.5	158.8	0	113	S136 L137 F141 P180 K184	S136-K139 PolarHBondContact O-N 3.32Å; S136-K139 PolarHBondContact OG-N 3.08Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.82Å; K139-F141 VanDerWaalsContact C-N 3.32Å; K139-P180 VanDerWaalsContact NZ-CG 3.27Å; K139-K184 HydrophobicContact CG-CD 4.41Å
140	K	83.3	Confident	71.8	Confident	141 Å²	141	85.6 Å²	85.6	61%	0.613	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-79	-14.1	177	-63.7	175	-176.3	170.7	0	113.2	L137 W138 T142	L137-K140 PolarHBondContact O-N 3.32Å; W138-K140 PolarHBondContact O-N 3.07Å; K140-T142 PolarHBondContact O-N 3.22Å
141	F	84.3	Confident	74.8	Confident	29 Å²	29	79.3 Å²	79.3	13%	0.127	46%	0.456	C	S	.	.			trans	-72.3	122.9	177.5	-178.6	-101.3	0	0	0	110.9	W138 K139 Q143 K184 F355 H360 Q361	W138-F141 VanDerWaalsContact O-CB 3.23Å; W138-F141 WeakPolarHBondContact O-CB 2.94Å; W138-F141 PolarHBondContact O-N 2.64Å; K139-F141 VanDerWaalsContact C-N 3.32Å; F141-Q143 HydrophobicContact CE1-CB 4.17Å; F141-Q143 WeakPolarHBondContact CE1-O 3.35Å; F141-Q143 HydrophobicContact CE2-CB 3.78Å; F141-Q143 HydrophobicContact CZ-CB 3.57Å; F141-Q143 HydrophobicContact CZ-CG 4.43Å; F141-K184 WeakPolarHBondContact O-CE 3.1Å; F141-K184 PolarHBondContact O-NZ 3.13Å; F141-F355 HydrophobicContact CB-CE2 4.14Å; F141-F355 AromaticContact CD2-CE2 3.81Å; F141-F355 HydrophobicContact CD2-CE2 3.81Å; F141-F355 HydrophobicContact CE2-CE2 4.47Å; F141-F355 HydrophobicContact CG-CE2 4.1Å; F141-H360 AromaticContact CE2-NE2 3.72Å; F141-H360 AromaticContact CZ-CD2 3.98Å; F141-H360 AromaticContact CZ-NE2 3.68Å; F141-Q361 HydrophobicContact CZ-CG 4.31Å
142	T	80.4	Confident	77.4	Confident	133 Å²	133	79.8 Å²	79.8	82%	0.816	46%	0.456	S	S	*	.			trans	-118.1	-4.9	-174.5	53.4	0	0	0	0	113.8	K140	K140-T142 PolarHBondContact O-N 3.22Å
143	Q	80.2	Confident	79.9	Confident	113 Å²	113	76.1 Å²	76.1	53%	0.528	44%	0.44	S	S	.	.			trans	-73.5	139.1	-177.9	-173.8	177.5	25.6	0	0	110.8	F141	F141-Q143 HydrophobicContact CE1-CB 4.17Å; F141-Q143 WeakPolarHBondContact CE1-O 3.35Å; F141-Q143 HydrophobicContact CE2-CB 3.78Å; F141-Q143 HydrophobicContact CZ-CB 3.57Å; F141-Q143 HydrophobicContact CZ-CG 4.43Å
144	E	80.3	Confident	82.5	Confident	99 Å²	99	67.8 Å²	67.8	46%	0.463	40%	0.4	S	S	.	.			trans	-73.1	134.4	177.3	-164.7	159.2	163.6	0	0	110.8	G146 T504 K505	E144-G146 PolarHBondContact O-N 3.14Å; E144-T504 HydrophobicContact CG-CG2 3.85Å; E144-T504 WeakPolarHBondContact OE1-CB 3.32Å; E144-T504 PolarHBondContact OE1-OG1 3.15Å; E144-K505 IonicContact OE2-NZ 2.86Å; E144-K505 PolarHBondContact OE2-NZ 2.96Å
145	I	83.9	Confident	84.8	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	40%	0.402	C	S	.	.			trans	-73	112.3	177.2	-58.7	-173.8	0	0	0	107.9	Q361 Y498 P500 K543	I145-Q361 HydrophobicContact CG1-CG 4.18Å; I145-Y498 HydrophobicContact CD1-CD1 4.1Å; I145-Y498 HydrophobicContact CD1-CE1 3.37Å; I145-Y498 HydrophobicContact CD1-CE2 4Å; I145-Y498 WeakPolarHBondContact CD1-OH 3.41Å; I145-P500 HydrophobicContact CG2-CB 4.31Å; I145-K543 PolarHBondContact O-NZ 3.47Å
146	G	82.4	Confident	86.5	Confident	41 Å²	41	71.7 Å²	71.7	42%	0.423	39%	0.394	S	S	.	.			trans	-88.2	-122.3	173.1	0	0	0	0	0	111.7	E144 K543	E144-G146 PolarHBondContact O-N 3.14Å; G146-K543 PolarHBondContact O-NZ 2.8Å
147	E	85.5	Confident	87.7	Confident	131 Å²	131	72.3 Å²	72.3	61%	0.612	40%	0.397	S	S	*	.	S	Bend	trans	-69.2	157.3	169.8	-59	-158.2	122.7	0	0	111.9	K149 R544	E147-K149 PolarHBondContact O-N 3.07Å; E147-R544 IonicContact OE1-CZ 3.15Å; E147-R544 IonicContact OE1-NH1 3.25Å; E147-R544 PolarHBondContact OE1-NH1 3.2Å; E147-R544 IonicContact OE1-NH2 3.98Å
148	A	90.4	Very high	88.6	Confident	40 Å²	40	67.8 Å²	67.8	33%	0.331	37%	0.374	S	S	.	.			trans	-60.2	124.3	179.5	0	0	0	0	0	110.8	P157 P500	A148-P157 HydrophobicContact CB-CG 3.73Å; A148-P500 HydrophobicContact CB-CB 3.68Å; A148-P500 HydrophobicContact CB-CG 3.76Å
149	K	93.4	Very high	89	Confident	113 Å²	113	67.8 Å²	67.8	49%	0.491	37%	0.374	S	S	.	.			trans	-109.3	94.2	169.6	-63.6	-175.4	-167	152.8	0	107.9	E147 Q361 C362	E147-K149 PolarHBondContact O-N 3.07Å; K149-Q361 HydrophobicContact CB-CB 4.02Å; K149-Q361 PolarHBondContact N-O 3.04Å; K149-C362 WeakPolarHBondContact O-CB 3.34Å
150	C	95.6	Very high	89.6	Confident	43 Å²	43	64.3 Å²	64.3	29%	0.291	36%	0.359	S	S	.	.			trans	-104.8	135.5	-177.5	-70.7	0	0	0	0	110.5	F154 C362	C150-F154 HydrophobicContact CB-CB 3.74Å; C150-C362 VanDerWaalsContact CA-SG 3.53Å; C150-C362 HydrophobicContact CB-CB 3.91Å; C150-C362 WeakPolarHBondContact CB-SG 3.31Å; C150-C362 VanDerWaalsContact SG-CA 3.56Å; C150-C362 WeakPolarHBondContact SG-CB 2.92Å; C150-C362 CovalentContact SG-SG 2.04Å; C150-C362 PolarHBondContact SG-SG 3.23Å
151	P	94.4	Very high	90.4	Very high	32 Å²	32	57.6 Å²	57.6	21%	0.208	33%	0.33	C	S	.	.			trans	-68.3	161.6	176.2	26.7	-30.2	0	0	0	111	G153 F154 L359	P151-G153 PolarHBondContact O-N 3.03Å; P151-F154 HydrophobicContact CG-CD2 3.75Å; P151-F154 HydrophobicContact CG-CE2 4.11Å; P151-F154 PolarHBondContact O-N 2.91Å; P151-L359 HydrophobicContact CG-CD2 3.69Å; P151-L359 HydrophobicContact CG-CG 4.44Å
152	P	91.4	Very high	91.1	Very high	135 Å²	135	56.2 Å²	56.2	88%	0.877	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	136.9	178.3	-28.5	35.7	0	0	0	112.9
153	G	89.3	Confident	92	Very high	29 Å²	29	49.9 Å²	49.9	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-20	-174.5	0	0	0	0	0	114	P151 S155 E308 R311	P151-G153 PolarHBondContact O-N 3.03Å; G153-S155 PolarHBondContact O-N 2.62Å; G153-E308 VanDerWaalsContact O-CG 3.24Å; G153-E308 WeakPolarHBondContact O-CG 3.26Å; G153-R311 PolarHBondContact O-NH2 3.2Å
154	F	93.9	Very high	92.9	Very high	28 Å²	28	44.5 Å²	44.5	12%	0.123	26%	0.26	C	S	.	.			trans	-89.6	83.2	172	-75.1	-95.8	0	0	0	110.2	C150 P151 R156 P158 L304 R311 L359	C150-F154 HydrophobicContact CB-CB 3.74Å; P151-F154 HydrophobicContact CG-CD2 3.75Å; P151-F154 HydrophobicContact CG-CE2 4.11Å; P151-F154 PolarHBondContact O-N 2.91Å; F154-R156 PolarHBondContact O-N 3.27Å; F154-P158 HydrophobicContact CD1-CG 4.14Å; F154-P158 HydrophobicContact CE1-CG 4.03Å; F154-L304 HydrophobicContact CE1-CD2 4.27Å; F154-L304 HydrophobicContact CZ-CD2 4.47Å; F154-L304 WeakPolarHBondContact CZ-O 3.39Å; F154-R311 VanDerWaalsContact CE1-NE 3.33Å; F154-R311 VanDerWaalsContact CZ-NE 3.28Å; F154-L359 HydrophobicContact CD1-CD2 4.22Å; F154-L359 HydrophobicContact CD2-CD2 3.98Å; F154-L359 HydrophobicContact CE1-CD2 3.91Å; F154-L359 HydrophobicContact CE2-CD1 4.46Å; F154-L359 HydrophobicContact CE2-CD2 3.66Å; F154-L359 HydrophobicContact CG-CD2 4.22Å; F154-L359 HydrophobicContact CZ-CD1 3.96Å; F154-L359 HydrophobicContact CZ-CD2 3.61Å; F154-L359 HydrophobicContact CZ-CG 4.42Å
155	S	88.3	Confident	93.8	Very high	94 Å²	94	39.8 Å²	39.8	66%	0.657	24%	0.238	S	C	*	.	S	Bend	trans	-66.2	-17.1	177.8	48.2	0	0	0	0	113.7	G153 E308	G153-S155 PolarHBondContact O-N 2.62Å; S155-E308 PolarHBondContact OG-OE1 2.79Å
156	R	92.3	Very high	94.5	Very high	101 Å²	101	39.5 Å²	39.5	38%	0.381	24%	0.236	S	C	.	.	S	Bend	trans	-143.7	152.8	172.5	63.9	-175.2	68.4	-153.5	2.2	111.5	F154 P158 D313 L524	F154-R156 PolarHBondContact O-N 3.27Å; R156-P158 WeakPolarHBondContact O-CD 3.46Å; R156-D313 WeakPolarHBondContact CD-OD1 3.42Å; R156-L524 PolarHBondContact NH1-O 3.27Å
157	P	97.1	Very high	95.2	Very high	36 Å²	36	37.6 Å²	37.6	23%	0.234	22%	0.216	C	C	.	.			trans	-55	119.9	166	-31.1	40.8	0	0	0	111.7	A148 C362 P500	A148-P157 HydrophobicContact CB-CG 3.73Å; P157-C362 VanDerWaalsContact CB-O 3.24Å; P157-C362 WeakPolarHBondContact CB-O 3.45Å; P157-P500 HydrophobicContact CB-CG 4.26Å; P157-P500 HydrophobicContact CG-CG 4.2Å
158	P	98.3	Very high	95.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.019	19%	0.188	C	C	.	.			trans	-72.4	155.9	169.7	32.5	-36.1	0	0	0	110.4	F154 R156 L304 D313 Y315 V363 N364	F154-P158 HydrophobicContact CD1-CG 4.14Å; F154-P158 HydrophobicContact CE1-CG 4.03Å; R156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-L304 HydrophobicContact CG-CD2 4.4Å; P158-D313 CarbonylContact C-O 3.56Å; P158-D313 VanDerWaalsContact CA-O 3.25Å; P158-D313 WeakPolarHBondContact CA-O 3.18Å; P158-Y315 HydrophobicContact CB-CD2 4.34Å; P158-Y315 HydrophobicContact CB-CE2 3.86Å; P158-V363 HydrophobicContact CG-CB 4.31Å; P158-V363 HydrophobicContact CG-CG2 3.65Å; P158-N364 PolarHBondContact O-N 3.31Å
159	L	98.9	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.7	175.4	175.4	61.3	0	0	0	110.2	D313 F314 Y315 N364 M366 M520 L523 L524	L159-D313 PolarHBondContact N-O 3.15Å; L159-F314 HydrophobicContact CB-CD2 4.25Å; L159-F314 HydrophobicContact CD2-CD2 3.92Å; L159-F314 HydrophobicContact CD2-CE2 4.06Å; L159-F314 HydrophobicContact CG-CD2 4.04Å; L159-F314 HydrophobicContact CG-CE2 4.26Å; L159-F314 CarbonylContact O-C 3.38Å; L159-F314 WeakPolarHBondContact O-CA 3.27Å; L159-Y315 PolarHBondContact O-N 3.1Å; L159-N364 CarbonylContact C-O 3.36Å; L159-N364 WeakPolarHBondContact CA-O 3.33Å; L159-N364 HydrophobicContact CD1-CB 3.95Å; L159-N364 WeakPolarHBondContact CD1-O 3.17Å; L159-M366 HydrophobicContact CD1-CB 4.31Å; L159-M520 HydrophobicContact CD2-CB 3.7Å; L159-M520 HydrophobicContact CD2-CG 3.79Å; L159-M520 HydrophobicContact CD2-SD 4.46Å; L159-L523 HydrophobicContact CD1-CD1 3.95Å; L159-L523 HydrophobicContact CD2-CB 4.27Å; L159-L523 HydrophobicContact CD2-CD1 4.49Å; L159-L524 HydrophobicContact CB-CD2 3.86Å; L159-L524 HydrophobicContact CB-CG 4.24Å; L159-L524 HydrophobicContact CD2-CD1 4.21Å; L159-L524 HydrophobicContact CD2-CG 4.01Å
160	L	98.9	Very high	96.4	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.9	174	174.9	59.6	0	0	0	110.1	V162 V300 Y315 L317 L350 V363 N364 L365 M366	L160-V162 HydrophobicContact CD1-CG2 4.31Å; L160-V162 HydrophobicContact CD2-CG2 4.21Å; L160-V162 HydrophobicContact CG-CG2 3.85Å; L160-V300 HydrophobicContact CD1-CG1 4.31Å; L160-V300 HydrophobicContact CD2-CG1 4.45Å; L160-Y315 VanDerWaalsContact CD1-CB 3.45Å; L160-L317 HydrophobicContact CD1-CB 4.32Å; L160-L350 HydrophobicContact CD2-CD1 3.78Å; L160-L350 HydrophobicContact CD2-CD2 4Å; L160-L350 HydrophobicContact CD2-CG 4.47Å; L160-V363 HydrophobicContact CB-CG1 4.05Å; L160-N364 PolarHBondContact N-O 3.12Å; L160-L365 HydrophobicContact CB-CD1 4.16Å; L160-L365 HydrophobicContact CD2-CD1 3.87Å; L160-L365 HydrophobicContact CG-CD1 3.9Å; L160-M366 PolarHBondContact O-N 3.45Å
161	L	98.9	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.4	173.5	179.7	64.5	0	0	0	109.9	I210 V211 W269 F314 Y315 T316 L317 M366 V368 M520	L161-I210 HydrophobicContact CD2-CG2 4.13Å; L161-V211 HydrophobicContact CD2-CG1 3.96Å; L161-W269 HydrophobicContact CD1-CH2 4.22Å; L161-W269 HydrophobicContact CD2-CE3 4.36Å; L161-W269 HydrophobicContact CD2-CH2 3.21Å; L161-W269 HydrophobicContact CD2-CZ2 3.52Å; L161-W269 HydrophobicContact CD2-CZ3 3.67Å; L161-W269 HydrophobicContact CG-CH2 3.51Å; L161-W269 HydrophobicContact CG-CZ2 4.33Å; L161-W269 HydrophobicContact CG-CZ3 3.73Å; L161-F314 HydrophobicContact CB-CE2 4.11Å; L161-F314 HydrophobicContact CB-CZ 4.18Å; L161-F314 HydrophobicContact CD2-CZ 4.13Å; L161-Y315 PolarHBondContact N-O 3.32Å; L161-T316 HydrophobicContact CB-CG2 4.48Å; L161-T316 HydrophobicContact CD2-CG2 4.43Å; L161-T316 CarbonylContact O-C 3.51Å; L161-T316 VanDerWaalsContact O-CA 3.28Å; L161-T316 WeakPolarHBondContact O-CA 3.37Å; L161-L317 PolarHBondContact O-N 3.04Å; L161-M366 CarbonylContact C-O 3.49Å; L161-M366 WeakPolarHBondContact CA-O 3.38Å; L161-M366 HydrophobicContact CD1-CB 4.12Å; L161-M366 HydrophobicContact CD1-CG 3.9Å; L161-M366 HydrophobicContact CD1-SD 3.72Å; L161-V368 HydrophobicContact CD1-CG1 4.35Å; L161-V368 HydrophobicContact CD1-CG2 3.92Å; L161-M520 HydrophobicContact CD1-SD 4.38Å; L161-M520 HydrophobicContact CD2-CE 4.44Å; L161-M520 HydrophobicContact CD2-SD 3.79Å
162	V	98.9	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.2	179.1	-173.7	0	0	0	0	109.5	L160 L164 L317 L347 L350 L365 M366 I367 V368	L160-V162 HydrophobicContact CD1-CG2 4.31Å; L160-V162 HydrophobicContact CD2-CG2 4.21Å; L160-V162 HydrophobicContact CG-CG2 3.85Å; V162-L164 HydrophobicContact CG1-CD2 4.33Å; V162-L317 CarbonylContact C-O 3.59Å; V162-L317 VanDerWaalsContact CA-O 3.28Å; V162-L317 WeakPolarHBondContact CA-O 3.45Å; V162-L317 HydrophobicContact CG1-CB 4.43Å; V162-L317 HydrophobicContact CG1-CD2 4.09Å; V162-L317 HydrophobicContact CG1-CG 4.38Å; V162-L317 HydrophobicContact CG2-CB 4.28Å; V162-L317 HydrophobicContact CG2-CD2 4.34Å; V162-L347 HydrophobicContact CG1-CD2 4.1Å; V162-L350 HydrophobicContact CG2-CD2 4.05Å; V162-L365 HydrophobicContact CG2-CD1 3.6Å; V162-M366 PolarHBondContact N-O 2.84Å; V162-I367 HydrophobicContact CB-CG1 4.34Å; V162-I367 CarbonylContact O-C 3.59Å; V162-I367 WeakPolarHBondContact O-CA 3.33Å; V162-V368 PolarHBondContact O-N 3.16Å
163	S	98.9	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.9	173.9	-171.5	0	0	0	0	111.4	H207 L317 L319 V368	S163-H207 WeakPolarHBondContact CB-NE2 3.35Å; S163-H207 PolarHBondContact OG-NE2 3Å; S163-L317 PolarHBondContact N-O 2.96Å; S163-L319 PolarHBondContact O-N 2.81Å; S163-V368 WeakPolarHBondContact CA-O 2.91Å
164	L	98.9	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	96	168.9	-50.3	-177.2	0	0	0	107.7	V162 G166 F167 I182 L319 V343 L347 I367 V368 S369 I494	V162-L164 HydrophobicContact CG1-CD2 4.33Å; L164-G166 PolarHBondContact O-N 3.09Å; L164-F167 HydrophobicContact CB-CB 3.91Å; L164-F167 HydrophobicContact CB-CD2 3.96Å; L164-F167 HydrophobicContact CB-CG 4.37Å; L164-F167 HydrophobicContact CD1-CD2 3.53Å; L164-F167 HydrophobicContact CD1-CE2 3.89Å; L164-F167 HydrophobicContact CD1-CG 4.41Å; L164-F167 HydrophobicContact CG-CD2 4.41Å; L164-F167 WeakPolarHBondContact O-CB 3.36Å; L164-F167 PolarHBondContact O-N 2.67Å; L164-I182 HydrophobicContact CD1-CD1 4.44Å; L164-L319 HydrophobicContact CD2-CB 4.4Å; L164-L319 HydrophobicContact CD2-CD1 3.72Å; L164-L319 HydrophobicContact CD2-CG 4.31Å; L164-V343 HydrophobicContact CD1-CG2 4.28Å; L164-V343 HydrophobicContact CD2-CB 4.24Å; L164-L347 HydrophobicContact CD1-CD1 4.13Å; L164-I367 HydrophobicContact CD1-CG2 4.21Å; L164-I367 HydrophobicContact CG-CG2 4.25Å; L164-V368 PolarHBondContact N-O 3.41Å; L164-S369 WeakPolarHBondContact O-CB 3.38Å; L164-I494 HydrophobicContact CD1-CD1 4.11Å
165	D	98.9	Very high	97.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.4	-172.6	-159.6	-42.3	0	0	0	111.3	F167 T203 H207 Y318 L319 E321 P322 D323 H371	D165-F167 PolarHBondContact O-N 2.79Å; D165-F167 VanDerWaalsContact O-N 3.17Å; D165-T203 WeakPolarHBondContact OD2-CG2 3.3Å; D165-H207 IonicContact OD2-CE1 3.67Å; D165-Y318 HydrophobicContact CB-CE2 3.71Å; D165-Y318 WeakPolarHBondContact OD2-CE2 3.31Å; D165-Y318 VanDerWaalsContact OD2-CZ 3.28Å; D165-Y318 PolarHBondContact OD2-OH 3.38Å; D165-L319 WeakPolarHBondContact CB-O 3.45Å; D165-L319 PolarHBondContact N-O 2.73Å; D165-E321 CarbonylContact O-C 3.4Å; D165-P322 WeakPolarHBondContact O-CD 3.39Å; D165-P322 VanDerWaalsContact O-N 3.12Å; D165-D323 HydrophobicContact CB-CB 3.88Å; D165-D323 WeakPolarHBondContact O-CB 3.01Å; D165-D323 PolarHBondContact O-N 2.88Å; D165-D323 VanDerWaalsContact OD1-CB 3.3Å; D165-D323 WeakPolarHBondContact OD1-CB 3.33Å; D165-H371 IonicContact OD1-CE1 2.75Å; D165-H371 IonicContact OD1-NE2 3.47Å
166	G	98.7	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.1	177	0	0	0	0	0	115.4	L164 R168 D370 H371	L164-G166 PolarHBondContact O-N 3.09Å; G166-R168 PolarHBondContact O-N 3.25Å; G166-D370 PolarHBondContact N-OD1 2.98Å; G166-H371 CarbonylContact C-O 3.58Å; G166-H371 WeakPolarHBondContact CA-O 3.37Å
167	F	98.8	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-70.6	94.4	174.6	-159.1	-58.5	0	0	0	110.3	L164 D165 Y171 L172 L179 I182 P322 L340 V343 S369 I494	L164-F167 HydrophobicContact CB-CB 3.91Å; L164-F167 HydrophobicContact CB-CD2 3.96Å; L164-F167 HydrophobicContact CB-CG 4.37Å; L164-F167 HydrophobicContact CD1-CD2 3.53Å; L164-F167 HydrophobicContact CD1-CE2 3.89Å; L164-F167 HydrophobicContact CD1-CG 4.41Å; L164-F167 HydrophobicContact CG-CD2 4.41Å; L164-F167 WeakPolarHBondContact O-CB 3.36Å; L164-F167 PolarHBondContact O-N 2.67Å; D165-F167 PolarHBondContact O-N 2.79Å; D165-F167 VanDerWaalsContact O-N 3.17Å; F167-Y171 HydrophobicContact CD1-CD2 4.02Å; F167-Y171 HydrophobicContact CE1-CD2 4.26Å; F167-Y171 HydrophobicContact CG-CD2 4.45Å; F167-L172 HydrophobicContact CE1-CD2 3.74Å; F167-L172 HydrophobicContact CE1-CG 3.87Å; F167-L172 HydrophobicContact CZ-CD2 3.88Å; F167-L172 HydrophobicContact CZ-CG 4.5Å; F167-L179 HydrophobicContact CZ-CD1 4.03Å; F167-I182 HydrophobicContact CE2-CD1 3.88Å; F167-I182 HydrophobicContact CZ-CD1 4.14Å; F167-P322 HydrophobicContact CB-CG 4.05Å; F167-P322 HydrophobicContact CD2-CG 4.19Å; F167-P322 HydrophobicContact CG-CG 4.26Å; F167-L340 HydrophobicContact CD2-CD2 3.76Å; F167-L340 HydrophobicContact CE1-CD2 4.27Å; F167-L340 HydrophobicContact CE2-CD2 3.38Å; F167-L340 HydrophobicContact CG-CD2 4.37Å; F167-L340 HydrophobicContact CZ-CD2 3.67Å; F167-V343 HydrophobicContact CD2-CG2 4.44Å; F167-V343 HydrophobicContact CE2-CG2 4.22Å; F167-S369 WeakPolarHBondContact O-CB 3.5Å; F167-S369 PolarHBondContact O-OG 3.11Å; F167-I494 HydrophobicContact CB-CD1 4.24Å; F167-I494 HydrophobicContact CB-CG1 4.39Å; F167-I494 HydrophobicContact CD1-CD1 3.86Å; F167-I494 HydrophobicContact CD1-CG1 4.25Å; F167-I494 HydrophobicContact CD1-CG2 3.54Å; F167-I494 HydrophobicContact CD2-CD1 4.21Å; F167-I494 HydrophobicContact CE1-CD1 4.25Å; F167-I494 HydrophobicContact CE1-CG2 3.9Å; F167-I494 HydrophobicContact CG-CD1 3.86Å; F167-I494 HydrophobicContact CG-CG1 4.38Å; F167-I494 HydrophobicContact CG-CG2 4.45Å
168	R	98.4	Very high	97.7	Very high	6 Å²	6	33.7 Å²	33.7	2%	0.023	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-64.4	137.8	175.6	114	-173.7	174.2	136.7	14	111.2	G166 E170 Y171 D174 N490 Q492	G166-R168 PolarHBondContact O-N 3.25Å; R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 HydrophobicContact CG-CB 4.04Å; R168-E170 IonicContact CZ-OE2 3.69Å; R168-E170 IonicContact NE-OE2 3.02Å; R168-E170 IonicContact NH1-OE2 2.68Å; R168-E170 PolarHBondContact NH1-OE2 2.85Å; R168-E170 VanDerWaalsContact NH1-OE2 3.12Å; R168-E170 IonicContact NH2-OE2 3.23Å; R168-E170 PolarHBondContact NH2-OE2 2.75Å; R168-E170 PolarHBondContact O-N 2.96Å; R168-Y171 HydrophobicContact CB-CD2 3.98Å; R168-Y171 HydrophobicContact CB-CE2 3.79Å; R168-Y171 HydrophobicContact CB-CG 4.47Å; R168-Y171 HydrophobicContact CG-CD1 3.86Å; R168-Y171 HydrophobicContact CG-CD2 3.87Å; R168-Y171 HydrophobicContact CG-CE1 3.87Å; R168-Y171 HydrophobicContact CG-CE2 3.92Å; R168-Y171 HydrophobicContact CG-CG 3.85Å; R168-Y171 WeakPolarHBondContact O-CB 3.23Å; R168-Y171 WeakPolarHBondContact O-CD2 3.26Å; R168-Y171 PolarHBondContact O-N 3.43Å; R168-D174 IonicContact CZ-OD2 3.69Å; R168-D174 IonicContact NH2-OD2 2.96Å; R168-D174 PolarHBondContact NH2-OD2 3.01Å; R168-N490 PolarHBondContact NH1-OD1 3.08Å; R168-Q492 WeakPolarHBondContact CA-O 3.49Å
169	A	98.3	Very high	97.6	Very high	10 Å²	10	33.6 Å²	33.6	8%	0.083	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39	-177.9	0	0	0	0	0	113.3	Y171 L172 Q492	A169-Y171 PolarHBondContact O-N 2.98Å; A169-L172 VanDerWaalsContact O-CB 3.32Å; A169-L172 WeakPolarHBondContact O-CB 3.22Å; A169-L172 PolarHBondContact O-N 2.89Å; A169-L172 VanDerWaalsContact O-N 3.11Å; A169-Q492 HydrophobicContact CB-CB 4.03Å; A169-Q492 PolarHBondContact N-O 2.7Å
170	E	97.5	Very high	97.6	Very high	59 Å²	59	36.6 Å²	36.6	28%	0.276	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.3	179.9	-67.1	-164.8	138.9	0	0	113.8	R168 L172 K173 D174 T489 N490	R168-E170 VanDerWaalsContact C-N 3.26Å; R168-E170 HydrophobicContact CG-CB 4.04Å; R168-E170 IonicContact CZ-OE2 3.69Å; R168-E170 IonicContact NE-OE2 3.02Å; R168-E170 IonicContact NH1-OE2 2.68Å; R168-E170 PolarHBondContact NH1-OE2 2.85Å; R168-E170 VanDerWaalsContact NH1-OE2 3.12Å; R168-E170 IonicContact NH2-OE2 3.23Å; R168-E170 PolarHBondContact NH2-OE2 2.75Å; R168-E170 PolarHBondContact O-N 2.96Å; E170-L172 PolarHBondContact O-N 3.31Å; E170-K173 WeakPolarHBondContact O-CA 3.33Å; E170-K173 WeakPolarHBondContact O-CB 3.4Å; E170-K173 PolarHBondContact O-N 3.03Å; E170-D174 PolarHBondContact O-N 2.98Å; E170-T489 HydrophobicContact CG-CG2 4.08Å; E170-T489 VanDerWaalsContact OE1-CG2 3.26Å; E170-T489 WeakPolarHBondContact OE1-CG2 3.36Å; E170-N490 PolarHBondContact OE2-OD1 3.13Å
171	Y	98.5	Very high	97.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-31.8	174.3	-63.7	-34.7	0	0	0	112.3	F167 R168 A169 K173 H175 P322 P331 V336 L340	F167-Y171 HydrophobicContact CD1-CD2 4.02Å; F167-Y171 HydrophobicContact CE1-CD2 4.26Å; F167-Y171 HydrophobicContact CG-CD2 4.45Å; R168-Y171 HydrophobicContact CB-CD2 3.98Å; R168-Y171 HydrophobicContact CB-CE2 3.79Å; R168-Y171 HydrophobicContact CB-CG 4.47Å; R168-Y171 HydrophobicContact CG-CD1 3.86Å; R168-Y171 HydrophobicContact CG-CD2 3.87Å; R168-Y171 HydrophobicContact CG-CE1 3.87Å; R168-Y171 HydrophobicContact CG-CE2 3.92Å; R168-Y171 HydrophobicContact CG-CG 3.85Å; R168-Y171 WeakPolarHBondContact O-CB 3.23Å; R168-Y171 WeakPolarHBondContact O-CD2 3.26Å; R168-Y171 PolarHBondContact O-N 3.43Å; A169-Y171 PolarHBondContact O-N 2.98Å; Y171-K173 PolarHBondContact O-N 3.3Å; Y171-H175 WeakPolarHBondContact O-CB 3.41Å; Y171-H175 PolarHBondContact O-N 3.15Å; Y171-P322 HydrophobicContact CD2-CG 4.33Å; Y171-P322 HydrophobicContact CE2-CG 3.98Å; Y171-P331 HydrophobicContact CE1-CB 4.16Å; Y171-P331 VanDerWaalsContact CE1-O 3.29Å; Y171-P331 WeakPolarHBondContact CE1-O 3.29Å; Y171-P331 VanDerWaalsContact OH-CA 3.27Å; Y171-P331 WeakPolarHBondContact OH-CA 3Å; Y171-P331 WeakPolarHBondContact OH-CB 3.3Å; Y171-V336 HydrophobicContact CE1-CG1 4.09Å; Y171-V336 HydrophobicContact CE2-CG1 4.37Å; Y171-L340 HydrophobicContact CD1-CD1 4.13Å; Y171-L340 HydrophobicContact CD2-CD1 4.18Å; Y171-L340 HydrophobicContact CD2-CD2 3.82Å; Y171-L340 HydrophobicContact CE2-CD2 4.48Å; Y171-L340 HydrophobicContact CG-CD1 3.84Å; Y171-L340 HydrophobicContact CG-CD2 4.19Å
172	L	96.8	Very high	97.5	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-28.6	175.6	-65.7	177.5	0	0	0	112.7	F167 A169 E170 H176 I182 I494	F167-L172 HydrophobicContact CE1-CD2 3.74Å; F167-L172 HydrophobicContact CE1-CG 3.87Å; F167-L172 HydrophobicContact CZ-CD2 3.88Å; F167-L172 HydrophobicContact CZ-CG 4.5Å; A169-L172 VanDerWaalsContact O-CB 3.32Å; A169-L172 WeakPolarHBondContact O-CB 3.22Å; A169-L172 PolarHBondContact O-N 2.89Å; A169-L172 VanDerWaalsContact O-N 3.11Å; E170-L172 PolarHBondContact O-N 3.31Å; L172-H176 WeakPolarHBondContact O-CB 3.3Å; L172-I182 HydrophobicContact CD2-CG2 3.48Å; L172-I182 VanDerWaalsContact CD2-CG2 3.48Å; L172-I494 HydrophobicContact CD1-CB 4.16Å; L172-I494 HydrophobicContact CD1-CG2 3.45Å; L172-I494 VanDerWaalsContact CD1-CG2 3.45Å; L172-I494 HydrophobicContact CG-CG2 3.87Å
173	K	94	Very high	97.4	Very high	169 Å²	169	37.4 Å²	37.4	74%	0.735	19%	0.189	S	C	*	.	H	α-helix	trans	-86.6	-52.1	177.1	-177	-174.4	175.5	-171.7	0	110.3	E170 Y171 H175	E170-K173 WeakPolarHBondContact O-CA 3.33Å; E170-K173 WeakPolarHBondContact O-CB 3.4Å; E170-K173 PolarHBondContact O-N 3.03Å; Y171-K173 PolarHBondContact O-N 3.3Å; K173-H175 VanDerWaalsContact C-N 3.3Å; K173-H175 PolarHBondContact O-N 2.87Å
174	D	95.3	Very high	97.3	Very high	82 Å²	82	38.9 Å²	38.9	44%	0.439	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-29.7	-172.2	-62.9	-20.6	0	0	0	112.7	R168 E170	R168-D174 IonicContact CZ-OD2 3.69Å; R168-D174 IonicContact NH2-OD2 2.96Å; R168-D174 PolarHBondContact NH2-OD2 3.01Å; E170-D174 PolarHBondContact O-N 2.98Å
175	H	96.6	Very high	97.2	Very high	28 Å²	28	38.9 Å²	38.9	13%	0.13	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	23.3	-174.7	-55.4	-46.6	0	0	0	113.2	Y171 K173 S177 R178 L179 L340	Y171-H175 WeakPolarHBondContact O-CB 3.41Å; Y171-H175 PolarHBondContact O-N 3.15Å; K173-H175 VanDerWaalsContact C-N 3.3Å; K173-H175 PolarHBondContact O-N 2.87Å; H175-S177 VanDerWaalsContact C-N 3.32Å; H175-S177 PolarHBondContact O-N 3.23Å; H175-S177 VanDerWaalsContact O-N 3.17Å; H175-R178 PolarHBondContact O-N 2.81Å; H175-L179 HydrophobicContact CB-CD1 4.33Å; H175-L179 WeakPolarHBondContact O-CG 3.39Å; H175-L179 PolarHBondContact O-N 2.98Å; H175-L340 VanDerWaalsContact CD2-CD1 3.49Å; H175-L340 WeakPolarHBondContact CD2-CD1 3.48Å
176	H	94.1	Very high	97.1	Very high	109 Å²	109	41.6 Å²	41.6	51%	0.505	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-47.4	-47.7	-178.3	178	-89.6	0	0	0	113.7	L172 R178 L179 N183	L172-H176 WeakPolarHBondContact O-CB 3.3Å; H176-R178 PolarHBondContact O-N 2.77Å; H176-R178 VanDerWaalsContact O-N 3.08Å; H176-L179 PolarHBondContact O-N 3.45Å; H176-N183 WeakPolarHBondContact CA-ND2 3.33Å; H176-N183 PolarHBondContact CD2-ND2 3.3Å; H176-N183 PolarHBondContact CD2-OD1 2.93Å; H176-N183 VanDerWaalsContact CD2-OD1 3.29Å; H176-N183 PolarHBondContact O-ND2 3.28Å
177	S	96	Very high	97	Very high	111 Å²	111	49 Å²	49	78%	0.776	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-65.6	-15.2	-178.3	55.7	0	0	0	0	114.8	H175	H175-S177 VanDerWaalsContact C-N 3.32Å; H175-S177 PolarHBondContact O-N 3.23Å; H175-S177 VanDerWaalsContact O-N 3.17Å
178	R	97	Very high	96.9	Very high	119 Å²	119	50.8 Å²	50.8	45%	0.449	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-101.3	-3.8	-178	-62.7	174.8	175.7	-113.9	7.3	113.5	H175 H176 P180 I337 E341	H175-R178 PolarHBondContact O-N 2.81Å; H176-R178 PolarHBondContact O-N 2.77Å; H176-R178 VanDerWaalsContact O-N 3.08Å; R178-P180 WeakPolarHBondContact O-CD 3.44Å; R178-I337 VanDerWaalsContact CD-CG2 3.46Å; R178-E341 HydrophobicContact CB-CG 4.1Å; R178-E341 WeakPolarHBondContact CD-OE1 3.14Å; R178-E341 IonicContact CZ-OE1 2.8Å; R178-E341 IonicContact NE-OE1 2.64Å; R178-E341 IonicContact NH1-OE1 2.87Å; R178-E341 PolarHBondContact NH1-OE1 3.46Å
179	L	97.9	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.			trans	-119	58.2	-176.3	-55.9	175.6	0	0	0	112.2	F167 H175 H176 V181 I182 N183 L340 D344	F167-L179 HydrophobicContact CZ-CD1 4.03Å; H175-L179 HydrophobicContact CB-CD1 4.33Å; H175-L179 WeakPolarHBondContact O-CG 3.39Å; H175-L179 PolarHBondContact O-N 2.98Å; H176-L179 PolarHBondContact O-N 3.45Å; L179-V181 PolarHBondContact O-N 3.18Å; L179-I182 HydrophobicContact CB-CB 4.28Å; L179-I182 HydrophobicContact CD2-CD1 4.46Å; L179-N183 VanDerWaalsContact O-CB 3.3Å; L179-N183 WeakPolarHBondContact O-CB 3.33Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.34Å; L179-N183 PolarHBondContact O-ND2 2.95Å; L179-L340 HydrophobicContact CD2-CB 3.91Å; L179-L340 WeakPolarHBondContact CD2-O 3.14Å; L179-D344 WeakPolarHBondContact CA-OD1 3.39Å; L179-D344 HydrophobicContact CD2-CB 3.89Å
180	P	97.1	Very high	96.8	Very high	64 Å²	64	50 Å²	50	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-31.3	-172.3	26.2	-36.4	0	0	0	114.5	K139 R178 K184 D344	K139-P180 VanDerWaalsContact NZ-CG 3.27Å; R178-P180 WeakPolarHBondContact O-CD 3.44Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 2.8Å; P180-D344 VanDerWaalsContact CD-OD2 3.25Å; P180-D344 WeakPolarHBondContact CD-OD2 3.48Å
181	V	98.1	Very high	96.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-53.9	177.4	178.3	0	0	0	0	109.8	W138 L179 N183 K184 L185 D344 L347	W138-V181 HydrophobicContact CZ3-CG1 4.03Å; L179-V181 PolarHBondContact O-N 3.18Å; V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 3.28Å; V181-K184 WeakPolarHBondContact O-CB 3.34Å; V181-K184 PolarHBondContact O-N 2.03Å; V181-K184 VanDerWaalsContact O-N 3.08Å; V181-L185 HydrophobicContact CG1-CD1 4Å; V181-L185 PolarHBondContact O-N 3.47Å; V181-D344 WeakPolarHBondContact CA-OD1 3.42Å; V181-D344 WeakPolarHBondContact CB-OD1 3.33Å; V181-D344 WeakPolarHBondContact CG2-O 3.44Å; V181-D344 WeakPolarHBondContact CG2-OD2 3.31Å; V181-D344 PolarHBondContact N-OD1 2.91Å; V181-D344 PolarHBondContact N-OD2 3.29Å; V181-D344 VanDerWaalsContact N-OD2 3.11Å; V181-L347 HydrophobicContact CG1-CB 3.96Å
182	I	98.3	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-43.1	-178.8	-70.2	169.6	0	0	0	110	L164 F167 L172 L179 K184 L185 R186 D344 L347 I496	L164-I182 HydrophobicContact CD1-CD1 4.44Å; F167-I182 HydrophobicContact CE2-CD1 3.88Å; F167-I182 HydrophobicContact CZ-CD1 4.14Å; L172-I182 HydrophobicContact CD2-CG2 3.48Å; L172-I182 VanDerWaalsContact CD2-CG2 3.48Å; L179-I182 HydrophobicContact CB-CB 4.28Å; L179-I182 HydrophobicContact CD2-CD1 4.46Å; I182-K184 PolarHBondContact O-N 2.89Å; I182-L185 WeakPolarHBondContact O-CB 3.46Å; I182-L185 PolarHBondContact O-N 2.94Å; I182-R186 WeakPolarHBondContact O-CG 3.13Å; I182-R186 PolarHBondContact O-N 3.04Å; I182-D344 HydrophobicContact CD1-CB 4.17Å; I182-D344 WeakPolarHBondContact CG1-OD1 3.5Å; I182-D344 PolarHBondContact N-OD1 3.18Å; I182-L347 HydrophobicContact CD1-CD1 3.97Å; I182-L347 HydrophobicContact CG1-CD1 3.54Å; I182-I496 HydrophobicContact CG2-CD1 3.78Å
183	N	97.3	Very high	96.8	Very high	17 Å²	17	51 Å²	51	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-33.2	178.7	-71.8	-40	0	0	0	113.4	H176 L179 V181 R186 K187	H176-N183 WeakPolarHBondContact CA-ND2 3.33Å; H176-N183 PolarHBondContact CD2-ND2 3.3Å; H176-N183 PolarHBondContact CD2-OD1 2.93Å; H176-N183 VanDerWaalsContact CD2-OD1 3.29Å; H176-N183 PolarHBondContact O-ND2 3.28Å; L179-N183 VanDerWaalsContact O-CB 3.3Å; L179-N183 WeakPolarHBondContact O-CB 3.33Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.34Å; L179-N183 PolarHBondContact O-ND2 2.95Å; V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 3.28Å; N183-R186 PolarHBondContact O-N 3.13Å; N183-R186 PolarHBondContact OD1-NH1 3.01Å; N183-K187 WeakPolarHBondContact O-CB 3.48Å; N183-K187 PolarHBondContact O-N 3.23Å
184	K	96.8	Very high	97	Very high	32 Å²	32	45.4 Å²	45.4	14%	0.139	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-44.9	170.7	-177.6	174.6	162.8	57.6	0	111	W138 K139 F141 P180 V181 I182 R186 K187 D188	W138-K184 HydrophobicContact CE3-CD 4.11Å; W138-K184 HydrophobicContact CH2-CB 3.88Å; W138-K184 HydrophobicContact CH2-CD 3.59Å; W138-K184 HydrophobicContact CH2-CG 3.53Å; W138-K184 HydrophobicContact CZ2-CD 4.2Å; W138-K184 HydrophobicContact CZ2-CG 4.23Å; W138-K184 HydrophobicContact CZ3-CB 4.07Å; W138-K184 HydrophobicContact CZ3-CD 3.54Å; W138-K184 HydrophobicContact CZ3-CG 3.92Å; W138-K184 WeakPolarHBondContact O-CE 3.31Å; K139-K184 HydrophobicContact CG-CD 4.41Å; F141-K184 WeakPolarHBondContact O-CE 3.1Å; F141-K184 PolarHBondContact O-NZ 3.13Å; P180-K184 WeakPolarHBondContact O-CB 3.49Å; P180-K184 PolarHBondContact O-N 2.8Å; V181-K184 WeakPolarHBondContact O-CB 3.34Å; V181-K184 PolarHBondContact O-N 2.03Å; V181-K184 VanDerWaalsContact O-N 3.08Å; I182-K184 PolarHBondContact O-N 2.89Å; K184-R186 VanDerWaalsContact C-N 3.32Å; K184-R186 PolarHBondContact O-N 2.7Å; K184-K187 PolarHBondContact O-N 2.81Å; K184-D188 WeakPolarHBondContact CG-OD2 3.41Å; K184-D188 IonicContact NZ-OD2 3.55Å; K184-D188 PolarHBondContact NZ-OD2 2.99Å; K184-D188 WeakPolarHBondContact O-CB 3.28Å; K184-D188 PolarHBondContact O-N 2.98Å
185	L	97.7	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-42.8	176.5	-71	166.4	0	0	0	111.9	W138 V181 I182 G189 M351 L365 I367 I496 Y498	W138-L185 HydrophobicContact CH2-CD2 3.54Å; W138-L185 HydrophobicContact CH2-CG 3.62Å; W138-L185 HydrophobicContact CZ2-CD2 3.64Å; W138-L185 HydrophobicContact CZ2-CG 4.25Å; W138-L185 HydrophobicContact CZ3-CD2 4.5Å; W138-L185 HydrophobicContact CZ3-CG 4.36Å; V181-L185 HydrophobicContact CG1-CD1 4Å; V181-L185 PolarHBondContact O-N 3.47Å; I182-L185 WeakPolarHBondContact O-CB 3.46Å; I182-L185 PolarHBondContact O-N 2.94Å; L185-G189 WeakPolarHBondContact O-CA 3.49Å; L185-G189 PolarHBondContact O-N 3.08Å; L185-M351 HydrophobicContact CD2-CE 4.1Å; L185-M351 HydrophobicContact CD2-CG 4.21Å; L185-M351 HydrophobicContact CD2-SD 3.98Å; L185-L365 HydrophobicContact CD2-CD2 4.35Å; L185-I367 HydrophobicContact CD1-CD1 3.57Å; L185-I496 HydrophobicContact CB-CG2 4.02Å; L185-Y498 HydrophobicContact CD2-CD1 4.09Å; L185-Y498 HydrophobicContact CD2-CD2 4.01Å; L185-Y498 HydrophobicContact CD2-CE2 4.45Å; L185-Y498 HydrophobicContact CD2-CG 3.79Å
186	R	96.4	Very high	97.3	Very high	58 Å²	58	40.3 Å²	40.3	22%	0.219	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-44.8	175.5	-71.2	176.3	68.4	-148.5	7.6	112.9	I182 N183 K184 T191 I496	I182-R186 WeakPolarHBondContact O-CG 3.13Å; I182-R186 PolarHBondContact O-N 3.04Å; N183-R186 PolarHBondContact O-N 3.13Å; N183-R186 PolarHBondContact OD1-NH1 3.01Å; K184-R186 VanDerWaalsContact C-N 3.32Å; K184-R186 PolarHBondContact O-N 2.7Å; R186-T191 HydrophobicContact CB-CG2 4.37Å; R186-I496 HydrophobicContact CG-CD1 3.54Å; R186-I496 HydrophobicContact CG-CG1 3.74Å; R186-I496 HydrophobicContact CG-CG2 4.21Å
187	K	96.2	Very high	97.5	Very high	156 Å²	156	35.2 Å²	35.2	68%	0.678	18%	0.181	S	C	*	.	H	α-helix	trans	-65.5	-41.6	-178.7	-179.5	-177.8	174.9	-177.2	0	111.6	N183 K184 K505	N183-K187 WeakPolarHBondContact O-CB 3.48Å; N183-K187 PolarHBondContact O-N 3.23Å; K184-K187 PolarHBondContact O-N 2.81Å; K187-K505 WeakPolarHBondContact O-CA 3.47Å; K187-K505 WeakPolarHBondContact O-CG 3.22Å
188	D	96.3	Very high	97.6	Very high	36 Å²	36	30.2 Å²	30.2	19%	0.193	15%	0.146	C	C	.	.	H	α-helix	trans	-92.4	-22.3	-173.2	-63.6	-15.6	0	0	0	112.5	K184 Y498 T504 K505	K184-D188 WeakPolarHBondContact CG-OD2 3.41Å; K184-D188 IonicContact NZ-OD2 3.55Å; K184-D188 PolarHBondContact NZ-OD2 2.99Å; K184-D188 WeakPolarHBondContact O-CB 3.28Å; K184-D188 PolarHBondContact O-N 2.98Å; D188-Y498 HydrophobicContact CB-CE2 4.05Å; D188-T504 WeakPolarHBondContact O-CA 3.49Å; D188-K505 PolarHBondContact O-N 2.91Å
189	G	97.4	Very high	97.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-98.8	-149.6	-179.8	0	0	0	0	0	114.6	L185 G497 K503 T504 K505 Y506	L185-G189 WeakPolarHBondContact O-CA 3.49Å; L185-G189 PolarHBondContact O-N 3.08Å; G189-G497 CarbonylContact C-O 3.57Å; G189-G497 WeakPolarHBondContact CA-O 3.15Å; G189-K503 CarbonylContact C-O 3.46Å; G189-T504 CarbonylContact O-C 3.25Å; G189-K505 WeakPolarHBondContact O-CA 3.41Å; G189-K505 PolarHBondContact O-N 3.1Å; G189-Y506 PolarHBondContact O-N 2.88Å
190	T	98.5	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.7	174.1	-71.7	0	0	0	0	109.3	F495 I496 G497 K503 Y506 L541	T190-F495 HydrophobicContact CG2-CE1 4.36Å; T190-I496 CarbonylContact O-C 3.56Å; T190-I496 WeakPolarHBondContact O-CA 3.26Å; T190-G497 PolarHBondContact N-O 3.03Å; T190-G497 PolarHBondContact O-N 3.13Å; T190-K503 PolarHBondContact N-O 3.18Å; T190-K503 VanDerWaalsContact OG1-C 3.27Å; T190-K503 PolarHBondContact OG1-N 3.04Å; T190-K503 PolarHBondContact OG1-O 3.45Å; T190-Y506 CarbonylContact C-O 3.46Å; T190-Y506 VanDerWaalsContact CA-O 3.3Å; T190-Y506 WeakPolarHBondContact CA-O 3.04Å; T190-Y506 HydrophobicContact CG2-CD1 3.88Å; T190-L541 HydrophobicContact CG2-CB 3.96Å; T190-L541 HydrophobicContact CG2-CD2 3.65Å; T190-L541 HydrophobicContact CG2-CG 4.27Å
191	T	98.4	Very high	97.8	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166.9	179.2	-173	0	0	0	0	109.8	R186 F495 Y506 V507 G508	R186-T191 HydrophobicContact CB-CG2 4.37Å; T191-F495 PolarHBondContact OG1-O 2.84Å; T191-Y506 PolarHBondContact N-O 2.82Å; T191-V507 HydrophobicContact CG2-CB 4.46Å; T191-V507 HydrophobicContact CG2-CG1 4.39Å; T191-V507 HydrophobicContact CG2-CG2 3.88Å; T191-V507 CarbonylContact O-C 3.52Å; T191-V507 VanDerWaalsContact O-CA 3.31Å; T191-V507 WeakPolarHBondContact O-CA 3.23Å; T191-G508 PolarHBondContact O-N 2.67Å
192	T	97.5	Very high	97.9	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	165.5	162.5	170	0	0	0	0	109.1	Y194 F495 P509 T510 F511	T192-Y194 VanDerWaalsContact CG2-C 3.48Å; T192-Y194 VanDerWaalsContact CG2-O 3.22Å; T192-Y194 WeakPolarHBondContact CG2-O 3.29Å; T192-Y194 PolarHBondContact O-N 3.39Å; T192-Y194 PolarHBondContact OG1-N 2.95Å; T192-Y194 PolarHBondContact OG1-O 3.2Å; T192-F495 HydrophobicContact CG2-CB 3.95Å; T192-F495 HydrophobicContact CG2-CD1 4.31Å; T192-P509 PolarHBondContact OG1-O 2.94Å; T192-T510 WeakPolarHBondContact OG1-CA 3.37Å; T192-T510 PolarHBondContact OG1-N 2.71Å; T192-F511 HydrophobicContact CG2-CD1 4.34Å; T192-F511 HydrophobicContact CG2-CE1 3.72Å; T192-F511 HydrophobicContact CG2-CZ 4.21Å
193	S	96.2	Very high	97.9	Very high	78 Å²	78	23.2 Å²	23.2	55%	0.545	11%	0.113	S	C	.	.	S	Bend	trans	-55.9	-41.2	168.2	-64.2	0	0	0	0	111.2
194	Y	98.1	Very high	97.9	Very high	52 Å²	52	23.2 Å²	23.2	20%	0.204	11%	0.112	C	C	.	.			trans	-166	158.5	172.9	59.1	-92.6	0	0	0	110.7	T192 Q492 A493 T510 T860	T192-Y194 VanDerWaalsContact CG2-C 3.48Å; T192-Y194 VanDerWaalsContact CG2-O 3.22Å; T192-Y194 WeakPolarHBondContact CG2-O 3.29Å; T192-Y194 PolarHBondContact O-N 3.39Å; T192-Y194 PolarHBondContact OG1-N 2.95Å; T192-Y194 PolarHBondContact OG1-O 3.2Å; Y194-Q492 HydrophobicContact CD2-CB 3.85Å; Y194-Q492 HydrophobicContact CD2-CG 3.65Å; Y194-Q492 HydrophobicContact CE2-CG 4Å; Y194-Q492 VanDerWaalsContact CE2-OE1 3.23Å; Y194-Q492 HydrophobicContact CG-CB 3.96Å; Y194-Q492 HydrophobicContact CG-CG 4.03Å; Y194-A493 WeakPolarHBondContact CA-O 3.49Å; Y194-T510 HydrophobicContact CD2-CG2 3.56Å; Y194-T510 WeakPolarHBondContact CE1-OG1 3.49Å; Y194-T510 HydrophobicContact CE2-CG2 3.16Å; Y194-T510 HydrophobicContact CG-CG2 4.42Å; Y194-T860 PolarHBondContact OH-OG1 2.78Å
195	M	98.6	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.2	170.2	-177.8	-179.4	68.6	0	0	109.1	V368 S369 A493 F495 F511 N513 L516	M195-V368 HydrophobicContact CE-CB 4.21Å; M195-V368 HydrophobicContact CE-CG1 4.4Å; M195-S369 WeakPolarHBondContact CE-O 3.34Å; M195-A493 HydrophobicContact CB-CB 4.49Å; M195-A493 HydrophobicContact CE-CB 4.01Å; M195-A493 PolarHBondContact N-O 3.16Å; M195-A493 PolarHBondContact O-N 2.86Å; M195-F495 HydrophobicContact CB-CB 4.07Å; M195-F495 HydrophobicContact SD-CB 4.25Å; M195-F511 HydrophobicContact CG-CD2 4.24Å; M195-F511 HydrophobicContact CG-CE2 3.91Å; M195-F511 HydrophobicContact SD-CE2 3.94Å; M195-N513 HydrophobicContact CE-CB 3.78Å; M195-N513 HydrophobicContact CG-CB 4.14Å; M195-N513 HydrophobicContact SD-CB 3.69Å; M195-L516 HydrophobicContact CE-CD1 4.2Å; M195-L516 HydrophobicContact SD-CD1 3.52Å; M195-L516 VanDerWaalsContact SD-CD1 3.52Å; M195-L516 HydrophobicContact SD-CD2 4.42Å; M195-L516 HydrophobicContact SD-CG 4.05Å
196	R	98.8	Very high	98.1	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.5	179.4	-172.2	176	-56.7	110.8	2.2	111	N486 F511 E512 N513 L858 T860	R196-N486 HydrophobicContact CG-CB 4.25Å; R196-N486 WeakPolarHBondContact CG-O 3.42Å; R196-F511 PolarHBondContact N-O 2.72Å; R196-E512 HydrophobicContact CB-CG 4.19Å; R196-E512 IonicContact NH1-OE1 3.59Å; R196-E512 PolarHBondContact NH1-OE1 2.86Å; R196-E512 WeakPolarHBondContact O-CA 3.44Å; R196-N513 PolarHBondContact O-N 2.88Å; R196-L858 VanDerWaalsContact NH1-CB 3.33Å; R196-L858 PolarHBondContact NH2-O 2.9Å; R196-T860 VanDerWaalsContact NH2-CG2 3.28Å
197	P	98.9	Very high	98.2	Very high	2 Å²	2	19 Å²	19	1%	0.013	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-73.4	169.6	170.8	32.1	-37.8	0	0	0	112.8	T201 N206 D370 N486 M491	P197-T201 HydrophobicContact CB-CG2 3.91Å; P197-T201 HydrophobicContact CG-CG2 3.38Å; P197-N206 VanDerWaalsContact CA-OD1 3.31Å; P197-N206 WeakPolarHBondContact CA-OD1 3.34Å; P197-N206 WeakPolarHBondContact CB-OD1 3.33Å; P197-D370 WeakPolarHBondContact CB-O 3.39Å; P197-N486 HydrophobicContact CG-CB 4.14Å; P197-N486 WeakPolarHBondContact O-CB 3.45Å; P197-N486 PolarHBondContact O-ND2 2.68Å; P197-M491 WeakPolarHBondContact CG-O 3.44Å
198	V	98.9	Very high	98.3	Very high	5 Å²	5	11.6 Å²	11.6	3%	0.03	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-83.3	158.1	165	-70.1	0	0	0	0	111.4	P200 T201 N206 T209 Y215 P216 I514	V198-P200 CarbonylContact O-C 3.59Å; V198-P200 VanDerWaalsContact O-C 3.25Å; V198-T201 PolarHBondContact O-N 2.89Å; V198-N206 WeakPolarHBondContact CG2-OD1 3.36Å; V198-N206 PolarHBondContact N-OD1 3.43Å; V198-N206 PolarHBondContact O-ND2 3.23Å; V198-T209 HydrophobicContact CG1-CG2 3.8Å; V198-T209 HydrophobicContact CG2-CG2 4.08Å; V198-T209 VanDerWaalsContact CG2-OG1 3.29Å; V198-T209 WeakPolarHBondContact CG2-OG1 3.36Å; V198-Y215 HydrophobicContact CG1-CD1 3.74Å; V198-Y215 HydrophobicContact CG1-CE1 4.05Å; V198-P216 HydrophobicContact CB-CG 4.16Å; V198-P216 HydrophobicContact CG2-CG 3.66Å; V198-I514 HydrophobicContact CG1-CG2 3.62Å
199	Y	98.8	Very high	98.5	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.008	5%	0.054	C	C	.	.	S	Bend	trans	-87.1	138.3	173.1	-173.4	-98.1	0	0	0	111.5	A401 M446 F448 H458	Y199-A401 HydrophobicContact CE1-CB 4.38Å; Y199-A401 HydrophobicContact CE2-CB 4.17Å; Y199-A401 WeakPolarHBondContact OH-CA 3.36Å; Y199-A401 WeakPolarHBondContact OH-CB 3.38Å; Y199-M446 HydrophobicContact CD1-CB 4.4Å; Y199-M446 HydrophobicContact CD1-SD 4.03Å; Y199-M446 HydrophobicContact CE1-SD 4.22Å; Y199-M446 HydrophobicContact CG-CG 4.41Å; Y199-M446 HydrophobicContact CG-SD 4.2Å; Y199-F448 HydrophobicContact CD1-CB 4.06Å; Y199-F448 AromaticContact CD1-CD1 3.88Å; Y199-F448 HydrophobicContact CD1-CD1 3.88Å; Y199-F448 HydrophobicContact CD1-CD2 4.35Å; Y199-F448 HydrophobicContact CD1-CE1 4.45Å; Y199-F448 AromaticContact CD1-CG 3.83Å; Y199-F448 HydrophobicContact CD1-CG 3.83Å; Y199-F448 AromaticContact CE1-CD1 3.81Å; Y199-F448 HydrophobicContact CE1-CD1 3.81Å; Y199-F448 HydrophobicContact CE1-CE1 4.14Å; Y199-F448 HydrophobicContact CE1-CG 4.25Å; Y199-H458 AromaticContact CE1-CE1 3.79Å; Y199-H458 AromaticContact CE1-NE2 3.66Å; Y199-H458 AromaticContact CZ-NE2 3.64Å; Y199-H458 PolarHBondContact OH-CE1 2.84Å; Y199-H458 PolarHBondContact OH-NE2 3.28Å
200	P	98.8	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	S	Bend	cis	-73.3	150.2	-9.8	32.8	-37	0	0	0	111.1	V198 K202 N206 V222 A401 F448	V198-P200 CarbonylContact O-C 3.59Å; V198-P200 VanDerWaalsContact O-C 3.25Å; P200-K202 HydrophobicContact CB-CG 4.16Å; P200-K202 HydrophobicContact CG-CG 4.19Å; P200-K202 PolarHBondContact O-N 3.18Å; P200-N206 PolarHBondContact O-ND2 2.89Å; P200-N206 VanDerWaalsContact O-ND2 3.14Å; P200-V222 WeakPolarHBondContact CD-O 3.03Å; P200-V222 VanDerWaalsContact CG-O 3.28Å; P200-V222 WeakPolarHBondContact CG-O 3.49Å; P200-A401 HydrophobicContact CB-CB 3.61Å; P200-F448 HydrophobicContact CG-CE2 4.29Å; P200-F448 HydrophobicContact CG-CZ 4.33Å
201	T	98.7	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.			trans	-75.9	63.9	-177.2	51.7	0	0	0	0	112.1	P197 V198 H371 H482 G483 S484 N486 M491	P197-T201 HydrophobicContact CB-CG2 3.91Å; P197-T201 HydrophobicContact CG-CG2 3.38Å; V198-T201 PolarHBondContact O-N 2.89Å; T201-H371 PolarHBondContact O-CD2 2.89Å; T201-H482 PolarHBondContact O-ND1 2.77Å; T201-G483 WeakPolarHBondContact O-CA 3.37Å; T201-G483 PolarHBondContact O-N 2.83Å; T201-G483 VanDerWaalsContact O-N 3.13Å; T201-G483 WeakPolarHBondContact OG1-CA 3.37Å; T201-G483 PolarHBondContact OG1-N 2.9Å; T201-S484 WeakPolarHBondContact CG2-O 3.48Å; T201-S484 PolarHBondContact OG1-N 3.3Å; T201-S484 VanDerWaalsContact OG1-N 3.11Å; T201-S484 PolarHBondContact OG1-O 3.09Å; T201-N486 HydrophobicContact CG2-CB 3.85Å; T201-M491 HydrophobicContact CG2-CB 4.09Å; T201-M491 HydrophobicContact CG2-CG 4.49Å; T201-M491 PolarHBondContact OG1-SD 3.27Å
202	K	98.7	Very high	98.6	Very high	23 Å²	23	9.7 Å²	9.7	10%	0.1	5%	0.053	C	C	.	.			trans	-116.5	156.6	-177.1	-66.2	-62	-164.1	-173	0	111.7	P200 P205 N206 H482	P200-K202 HydrophobicContact CB-CG 4.16Å; P200-K202 HydrophobicContact CG-CG 4.19Å; P200-K202 PolarHBondContact O-N 3.18Å; K202-P205 HydrophobicContact CB-CG 3.95Å; K202-P205 WeakPolarHBondContact O-CD 3.31Å; K202-N206 PolarHBondContact N-ND2 2.04Å; K202-N206 WeakPolarHBondContact O-CB 3.06Å; K202-N206 PolarHBondContact O-N 3.42Å; K202-N206 PolarHBondContact O-ND2 2.82Å; K202-N206 VanDerWaalsContact O-ND2 3.11Å; K202-H482 PolarHBondContact NZ-O 2.77Å
203	T	98.3	Very high	98.7	Very high	13 Å²	13	9.5 Å²	9.5	8%	0.08	5%	0.052	C	C	.	.	H	α-helix	trans	-54.1	-62.3	-175.2	-43.2	0	0	0	0	115.1	D165 N206 H207 D370 H371	D165-T203 WeakPolarHBondContact OD2-CG2 3.3Å; T203-N206 PolarHBondContact O-N 3.05Å; T203-H207 WeakPolarHBondContact CG2-ND1 3.44Å; T203-H207 WeakPolarHBondContact O-CB 3.28Å; T203-H207 PolarHBondContact O-N 2.94Å; T203-H207 PolarHBondContact O-ND1 3.41Å; T203-D370 WeakPolarHBondContact CA-OD2 3.06Å; T203-H371 PolarHBondContact OG1-NE2 3.11Å
204	F	98.8	Very high	98.8	Very high	18 Å²	18	6.8 Å²	6.8	8%	0.079	3%	0.031	C	C	.	.	H	α-helix	trans	-66.1	-44.5	-175.4	-92.6	-127.4	0	0	0	112.9	N206 Y208 I221 N224 F235 L237 K242 P270	F204-N206 PolarHBondContact O-N 3.3Å; F204-Y208 VanDerWaalsContact O-CB 3.24Å; F204-Y208 WeakPolarHBondContact O-CB 3.46Å; F204-Y208 PolarHBondContact O-N 3.05Å; F204-I221 HydrophobicContact CB-CG2 3.73Å; F204-I221 HydrophobicContact CD1-CG2 4.41Å; F204-N224 WeakPolarHBondContact CB-OD1 3.41Å; F204-N224 PolarHBondContact N-OD1 3.3Å; F204-F235 HydrophobicContact CD1-CE1 4.28Å; F204-F235 AromaticContact CD1-CZ 3.83Å; F204-F235 HydrophobicContact CD1-CZ 3.83Å; F204-F235 HydrophobicContact CE1-CZ 4.04Å; F204-L237 HydrophobicContact CB-CD2 4.43Å; F204-L237 HydrophobicContact CD1-CD2 3.54Å; F204-L237 HydrophobicContact CD2-CD1 3.76Å; F204-L237 HydrophobicContact CD2-CD2 3.5Å; F204-L237 HydrophobicContact CD2-CG 4.28Å; F204-L237 HydrophobicContact CE1-CD2 3.51Å; F204-L237 HydrophobicContact CE2-CD1 3.75Å; F204-L237 HydrophobicContact CE2-CD2 3.49Å; F204-L237 VanDerWaalsContact CE2-CD2 3.49Å; F204-L237 HydrophobicContact CE2-CG 4.18Å; F204-L237 HydrophobicContact CG-CD2 3.54Å; F204-L237 HydrophobicContact CZ-CD1 4.49Å; F204-L237 HydrophobicContact CZ-CD2 3.5Å; F204-L237 HydrophobicContact CZ-CG 4.47Å; F204-K242 HydrophobicContact CE1-CD 4.26Å; F204-K242 HydrophobicContact CE1-CG 4.07Å; F204-K242 HydrophobicContact CZ-CD 4.12Å; F204-K242 HydrophobicContact CZ-CG 4.43Å; F204-P270 HydrophobicContact CD1-CB 3.99Å; F204-P270 HydrophobicContact CD2-CB 3.97Å; F204-P270 HydrophobicContact CD2-CG 3.87Å; F204-P270 HydrophobicContact CE1-CB 4.04Å; F204-P270 HydrophobicContact CE2-CB 4.01Å; F204-P270 HydrophobicContact CE2-CG 3.83Å; F204-P270 HydrophobicContact CG-CB 3.94Å; F204-P270 HydrophobicContact CG-CG 4.33Å; F204-P270 HydrophobicContact CZ-CB 4.03Å; F204-P270 HydrophobicContact CZ-CG 4.28Å
205	P	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-54.3	-53.2	174.4	-28.6	36	0	0	0	112.4	K202 Y208 T209 P216 H219 I221	K202-P205 HydrophobicContact CB-CG 3.95Å; K202-P205 WeakPolarHBondContact O-CD 3.31Å; P205-Y208 PolarHBondContact O-N 2.81Å; P205-T209 WeakPolarHBondContact O-CB 3.2Å; P205-T209 PolarHBondContact O-N 2.97Å; P205-T209 PolarHBondContact O-OG1 3.19Å; P205-P216 HydrophobicContact CB-CB 4.37Å; P205-P216 HydrophobicContact CB-CG 4.02Å; P205-H219 PolarHBondContact O-NE2 3.42Å; P205-I221 WeakPolarHBondContact CA-O 3.41Å; P205-I221 WeakPolarHBondContact CB-O 3.49Å; P205-I221 WeakPolarHBondContact CG-O 3.16Å
206	N	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-72.1	-41.9	-173.7	-81.4	-83.4	0	0	0	113.6	P197 V198 P200 K202 T203 F204 Y208 T209 I210 D370 N513	P197-N206 VanDerWaalsContact CA-OD1 3.31Å; P197-N206 WeakPolarHBondContact CA-OD1 3.34Å; P197-N206 WeakPolarHBondContact CB-OD1 3.33Å; V198-N206 WeakPolarHBondContact CG2-OD1 3.36Å; V198-N206 PolarHBondContact N-OD1 3.43Å; V198-N206 PolarHBondContact O-ND2 3.23Å; P200-N206 PolarHBondContact O-ND2 2.89Å; P200-N206 VanDerWaalsContact O-ND2 3.14Å; K202-N206 PolarHBondContact N-ND2 2.04Å; K202-N206 WeakPolarHBondContact O-CB 3.06Å; K202-N206 PolarHBondContact O-N 3.42Å; K202-N206 PolarHBondContact O-ND2 2.82Å; K202-N206 VanDerWaalsContact O-ND2 3.11Å; T203-N206 PolarHBondContact O-N 3.05Å; F204-N206 PolarHBondContact O-N 3.3Å; N206-Y208 VanDerWaalsContact C-N 3.29Å; N206-Y208 PolarHBondContact O-N 2.82Å; N206-T209 WeakPolarHBondContact O-CB 3.24Å; N206-T209 PolarHBondContact O-N 3.22Å; N206-I210 VanDerWaalsContact O-CG1 3.23Å; N206-I210 WeakPolarHBondContact O-CG1 3.19Å; N206-I210 PolarHBondContact O-N 3.3Å; N206-D370 HydrophobicContact CB-CB 3.83Å; N206-D370 VanDerWaalsContact CB-O 3.26Å; N206-D370 WeakPolarHBondContact CB-O 3.24Å; N206-D370 VanDerWaalsContact CG-O 3.27Å; N206-D370 PolarHBondContact OD1-O 3.04Å; N206-N513 PolarHBondContact OD1-ND2 3.35Å
207	H	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.1	-38.7	175	-80.9	92.8	0	0	0	112.2	S163 D165 T203 I210 V211 W269 P270 Y318 D370	S163-H207 WeakPolarHBondContact CB-NE2 3.35Å; S163-H207 PolarHBondContact OG-NE2 3Å; D165-H207 IonicContact OD2-CE1 3.67Å; T203-H207 WeakPolarHBondContact CG2-ND1 3.44Å; T203-H207 WeakPolarHBondContact O-CB 3.28Å; T203-H207 PolarHBondContact O-N 2.94Å; T203-H207 PolarHBondContact O-ND1 3.41Å; H207-I210 PolarHBondContact O-N 2.9Å; H207-V211 WeakPolarHBondContact O-CG2 3.46Å; H207-V211 PolarHBondContact O-N 3.06Å; H207-W269 HydrophobicContact CB-CZ2 4.4Å; H207-W269 AromaticContact CD2-CE2 3.84Å; H207-W269 AromaticContact CD2-CH2 3.9Å; H207-W269 AromaticContact CD2-CZ2 3.7Å; H207-W269 PolarHBondContact O-NE1 2.9Å; H207-P270 HydrophobicContact CB-CB 4Å; H207-P270 HydrophobicContact CB-CG 3.52Å; H207-Y318 AromaticContact CE1-CE2 3.65Å; H207-Y318 AromaticContact NE2-CD2 3.41Å; H207-Y318 WeakPolarHBondContact NE2-CD2 3.43Å; H207-Y318 AromaticContact NE2-CE2 3.55Å; H207-D370 WeakPolarHBondContact CE1-CB 3.37Å; H207-D370 IonicContact CE1-OD1 3.22Å; H207-D370 IonicContact CE1-OD2 2.99Å; H207-D370 PolarHBondContact CE1-OD2 2.9Å; H207-D370 VanDerWaalsContact ND1-CB 3.35Å; H207-D370 WeakPolarHBondContact ND1-CB 3.36Å; H207-D370 IonicContact ND1-OD2 3.38Å; H207-D370 PolarHBondContact ND1-OD2 3.04Å
208	Y	98.9	Very high	98.8	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-74.8	-35.3	178.9	-156.3	-114.5	0	0	0	111.7	F204 P205 N206 V211 T212 H219 I221 Y248 Q249 P252 P270 I276	F204-Y208 VanDerWaalsContact O-CB 3.24Å; F204-Y208 WeakPolarHBondContact O-CB 3.46Å; F204-Y208 PolarHBondContact O-N 3.05Å; P205-Y208 PolarHBondContact O-N 2.81Å; N206-Y208 VanDerWaalsContact C-N 3.29Å; N206-Y208 PolarHBondContact O-N 2.82Å; Y208-V211 HydrophobicContact CD2-CG2 4.21Å; Y208-V211 WeakPolarHBondContact O-CG2 3.18Å; Y208-V211 PolarHBondContact O-N 3.46Å; Y208-T212 HydrophobicContact CD1-CG2 4.08Å; Y208-T212 HydrophobicContact CE1-CG2 3.82Å; Y208-T212 HydrophobicContact CE2-CG2 4.3Å; Y208-T212 HydrophobicContact CG-CG2 4.45Å; Y208-T212 WeakPolarHBondContact O-CB 3.33Å; Y208-T212 WeakPolarHBondContact O-CG2 3.49Å; Y208-T212 PolarHBondContact O-N 3.28Å; Y208-T212 VanDerWaalsContact O-N 3.1Å; Y208-T212 PolarHBondContact O-OG1 3.34Å; Y208-H219 HydrophobicContact CD1-CB 3.87Å; Y208-H219 AromaticContact CD1-CG 3.71Å; Y208-H219 AromaticContact CD1-ND1 3.56Å; Y208-H219 HydrophobicContact CE1-CB 3.93Å; Y208-I221 HydrophobicContact CD1-CG1 3.95Å; Y208-I221 HydrophobicContact CE1-CG1 4.37Å; Y208-I221 HydrophobicContact CG-CG1 4.41Å; Y208-Y248 HydrophobicContact CD2-CD1 4.21Å; Y208-Y248 HydrophobicContact CE1-CD1 4.13Å; Y208-Y248 AromaticContact CE2-CD1 3.78Å; Y208-Y248 HydrophobicContact CE2-CD1 3.78Å; Y208-Y248 AromaticContact CZ-CD1 3.75Å; Y208-Q249 WeakPolarHBondContact CE1-O 3.16Å; Y208-Q249 PolarHBondContact OH-O 3.34Å; Y208-P252 HydrophobicContact CE2-CB 4.4Å; Y208-P270 WeakPolarHBondContact CD2-O 3.38Å; Y208-I276 HydrophobicContact CE2-CD1 3.84Å; Y208-I276 WeakPolarHBondContact OH-CD1 3.46Å
209	T	98.9	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-55.7	-49.9	167.1	-68.2	0	0	0	0	111.8	V198 P205 N206 V211 T212 G213 L214 H219 N513 I514	V198-T209 HydrophobicContact CG1-CG2 3.8Å; V198-T209 HydrophobicContact CG2-CG2 4.08Å; V198-T209 VanDerWaalsContact CG2-OG1 3.29Å; V198-T209 WeakPolarHBondContact CG2-OG1 3.36Å; P205-T209 WeakPolarHBondContact O-CB 3.2Å; P205-T209 PolarHBondContact O-N 2.97Å; P205-T209 PolarHBondContact O-OG1 3.19Å; N206-T209 WeakPolarHBondContact O-CB 3.24Å; N206-T209 PolarHBondContact O-N 3.22Å; T209-V211 PolarHBondContact O-N 3.06Å; T209-V211 VanDerWaalsContact O-N 3.16Å; T209-T212 PolarHBondContact O-N 2.84Å; T209-T212 VanDerWaalsContact O-N 3.1Å; T209-T212 PolarHBondContact O-OG1 3.24Å; T209-G213 WeakPolarHBondContact O-CA 2.99Å; T209-G213 PolarHBondContact O-N 3.28Å; T209-L214 WeakPolarHBondContact CB-O 3.07Å; T209-L214 VanDerWaalsContact CG2-O 3.31Å; T209-L214 WeakPolarHBondContact CG2-O 3.48Å; T209-L214 PolarHBondContact OG1-O 3.19Å; T209-H219 PolarHBondContact OG1-NE2 2.96Å; T209-N513 WeakPolarHBondContact CG2-OD1 3.31Å; T209-I514 HydrophobicContact CG2-CB 4.39Å; T209-I514 HydrophobicContact CG2-CG2 3.56Å
210	I	99	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-53.9	-41.2	-178	-73.5	163.9	0	0	0	111.4	L161 N206 H207 W269 V368 N513 L516 M520	L161-I210 HydrophobicContact CD2-CG2 4.13Å; N206-I210 VanDerWaalsContact O-CG1 3.23Å; N206-I210 WeakPolarHBondContact O-CG1 3.19Å; N206-I210 PolarHBondContact O-N 3.3Å; H207-I210 PolarHBondContact O-N 2.9Å; I210-W269 HydrophobicContact CB-CZ2 4.22Å; I210-W269 HydrophobicContact CG2-CH2 4.39Å; I210-W269 HydrophobicContact CG2-CZ2 3.89Å; I210-V368 HydrophobicContact CD1-CG2 4.26Å; I210-N513 HydrophobicContact CG1-CB 3.96Å; I210-L516 HydrophobicContact CG1-CD1 4.22Å; I210-L516 HydrophobicContact CG2-CB 4.37Å; I210-L516 HydrophobicContact CG2-CD1 3.97Å; I210-M520 HydrophobicContact CG2-CE 4.29Å; I210-M520 WeakPolarHBondContact O-CE 3.45Å
211	V	98.9	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-92	-4.2	-176.4	-62.9	0	0	0	0	114.6	L161 H207 Y208 T209 P252 V253 W254 W269 Y517 M520	L161-V211 HydrophobicContact CD2-CG1 3.96Å; H207-V211 WeakPolarHBondContact O-CG2 3.46Å; H207-V211 PolarHBondContact O-N 3.06Å; Y208-V211 HydrophobicContact CD2-CG2 4.21Å; Y208-V211 WeakPolarHBondContact O-CG2 3.18Å; Y208-V211 PolarHBondContact O-N 3.46Å; T209-V211 PolarHBondContact O-N 3.06Å; T209-V211 VanDerWaalsContact O-N 3.16Å; V211-P252 HydrophobicContact CB-CB 4.44Å; V211-P252 HydrophobicContact CG2-CB 4.03Å; V211-P252 CarbonylContact O-C 3.34Å; V211-P252 WeakPolarHBondContact O-CA 3.25Å; V211-V253 HydrophobicContact CB-CG1 4.13Å; V211-V253 HydrophobicContact CG1-CG1 4.2Å; V211-V253 PolarHBondContact O-N 2.64Å; V211-W254 HydrophobicContact CB-CE3 4.46Å; V211-W254 HydrophobicContact CB-CZ3 3.89Å; V211-W254 HydrophobicContact CG1-CZ3 3.97Å; V211-W254 HydrophobicContact CG2-CH2 3.83Å; V211-W254 HydrophobicContact CG2-CZ3 3.64Å; V211-W269 HydrophobicContact CG1-CD2 4.35Å; V211-W269 VanDerWaalsContact CG1-CE2 3.48Å; V211-W269 HydrophobicContact CG1-CZ2 3.74Å; V211-Y517 WeakPolarHBondContact O-CD2 3.5Å; V211-Y517 WeakPolarHBondContact O-CE2 3.38Å; V211-M520 HydrophobicContact CG1-CE 4.34Å
212	T	98.9	Very high	98.8	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	4%	0.039	C	C	.	.	H	α-helix	trans	-118.5	-20.3	177.7	57	0	0	0	0	113.4	Y208 T209 L214 P252 Y517 N531	Y208-T212 HydrophobicContact CD1-CG2 4.08Å; Y208-T212 HydrophobicContact CE1-CG2 3.82Å; Y208-T212 HydrophobicContact CE2-CG2 4.3Å; Y208-T212 HydrophobicContact CG-CG2 4.45Å; Y208-T212 WeakPolarHBondContact O-CB 3.33Å; Y208-T212 WeakPolarHBondContact O-CG2 3.49Å; Y208-T212 PolarHBondContact O-N 3.28Å; Y208-T212 VanDerWaalsContact O-N 3.1Å; Y208-T212 PolarHBondContact O-OG1 3.34Å; T209-T212 PolarHBondContact O-N 2.84Å; T209-T212 VanDerWaalsContact O-N 3.1Å; T209-T212 PolarHBondContact O-OG1 3.24Å; T212-L214 PolarHBondContact O-N 3.38Å; T212-L214 PolarHBondContact OG1-N 2.86Å; T212-P252 HydrophobicContact CG2-CB 4.3Å; T212-Y517 VanDerWaalsContact C-CG 3.49Å; T212-N531 WeakPolarHBondContact O-CB 3.38Å
213	G	98.9	Very high	98.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.			trans	67.4	13.8	-171.1	0	0	0	0	0	113.4	T209 I514 Y517 N532 G533	T209-G213 WeakPolarHBondContact O-CA 2.99Å; T209-G213 PolarHBondContact O-N 3.28Å; G213-I514 VanDerWaalsContact CA-O 3.28Å; G213-I514 WeakPolarHBondContact CA-O 3.4Å; G213-Y517 VanDerWaalsContact CA-CB 3.48Å; G213-Y517 VanDerWaalsContact N-CB 3.27Å; G213-N532 WeakPolarHBondContact O-CA 3.48Å; G213-N532 WeakPolarHBondContact O-CB 3.43Å; G213-N532 PolarHBondContact O-N 3.05Å; G213-G533 PolarHBondContact O-N 3.27Å
214	L	98.9	Very high	98.7	Very high	20 Å²	20	7 Å²	7	11%	0.105	4%	0.04	C	C	.	.			trans	-102.2	149.8	-175.4	-68.5	173.1	0	0	0	111.7	T209 T212 H219 N531 N532	T209-L214 WeakPolarHBondContact CB-O 3.07Å; T209-L214 VanDerWaalsContact CG2-O 3.31Å; T209-L214 WeakPolarHBondContact CG2-O 3.48Å; T209-L214 PolarHBondContact OG1-O 3.19Å; T212-L214 PolarHBondContact O-N 3.38Å; T212-L214 PolarHBondContact OG1-N 2.86Å; L214-H219 HydrophobicContact CB-CB 3.91Å; L214-H219 HydrophobicContact CD1-CB 4.01Å; L214-H219 PolarHBondContact O-CD2 3.17Å; L214-N531 HydrophobicContact CD2-CB 4.33Å; L214-N532 VanDerWaalsContact CA-OD1 3.22Å; L214-N532 WeakPolarHBondContact CA-OD1 3.49Å; L214-N532 WeakPolarHBondContact CD2-OD1 3.44Å
215	Y	98.9	Very high	98.6	Very high	7 Å²	7	12 Å²	12	3%	0.027	6%	0.062	C	C	.	.			trans	-69.3	155.6	166.2	-68.9	-61.1	0	0	0	111.6	V198 E217 S218 H219 H447 I514 N532 R829	V198-Y215 HydrophobicContact CG1-CD1 3.74Å; V198-Y215 HydrophobicContact CG1-CE1 4.05Å; Y215-E217 VanDerWaalsContact C-N 3.25Å; Y215-E217 PolarHBondContact O-N 3.18Å; Y215-S218 WeakPolarHBondContact O-CB 3.35Å; Y215-S218 PolarHBondContact O-N 3.28Å; Y215-H219 VanDerWaalsContact C-CD2 3.46Å; Y215-H219 PolarHBondContact O-CD2 3.23Å; Y215-H219 PolarHBondContact O-N 2.64Å; Y215-H447 HydrophobicContact CD1-CB 3.78Å; Y215-H447 HydrophobicContact CD2-CB 3.48Å; Y215-H447 VanDerWaalsContact CD2-CB 3.48Å; Y215-H447 AromaticContact CD2-CG 3.52Å; Y215-H447 AromaticContact CD2-ND1 3.82Å; Y215-H447 HydrophobicContact CE1-CB 4.08Å; Y215-H447 AromaticContact CE1-CD2 3.85Å; Y215-H447 HydrophobicContact CE2-CB 3.81Å; Y215-H447 AromaticContact CE2-CD2 3.44Å; Y215-H447 VanDerWaalsContact CE2-CD2 3.44Å; Y215-H447 WeakPolarHBondContact CE2-CD2 3.48Å; Y215-H447 AromaticContact CE2-CE1 3.82Å; Y215-H447 AromaticContact CE2-CG 3.32Å; Y215-H447 AromaticContact CE2-ND1 3.58Å; Y215-H447 AromaticContact CE2-NE2 3.74Å; Y215-H447 HydrophobicContact CG-CB 3.48Å; Y215-H447 VanDerWaalsContact CG-CB 3.48Å; Y215-H447 AromaticContact CZ-CD2 3.3Å; Y215-H447 AromaticContact CZ-CG 3.64Å; Y215-H447 AromaticContact CZ-NE2 3.79Å; Y215-H447 PolarHBondContact OH-CD2 2.85Å; Y215-I514 HydrophobicContact CD1-CG2 3.99Å; Y215-I514 HydrophobicContact CE1-CD1 3.95Å; Y215-I514 HydrophobicContact CE1-CG2 3.83Å; Y215-I514 HydrophobicContact CE2-CD1 4.45Å; Y215-I514 VanDerWaalsContact OH-CD1 3.26Å; Y215-I514 WeakPolarHBondContact OH-CD1 3.5Å; Y215-N532 HydrophobicContact CD2-CB 3.68Å; Y215-N532 WeakPolarHBondContact CD2-OD1 3.39Å; Y215-N532 HydrophobicContact CE2-CB 3.63Å; Y215-N532 HydrophobicContact CG-CB 4.46Å; Y215-N532 PolarHBondContact N-OD1 3.47Å; Y215-R829 VanDerWaalsContact OH-CZ 3.29Å; Y215-R829 PolarHBondContact OH-NH1 2.8Å; Y215-R829 PolarHBondContact OH-NH2 2.73Å
216	P	98.9	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.5	-35.7	179.2	-28.3	37.8	0	0	0	114.9	V198 P205 S218 H219 G220 V222	V198-P216 HydrophobicContact CB-CG 4.16Å; V198-P216 HydrophobicContact CG2-CG 3.66Å; P205-P216 HydrophobicContact CB-CB 4.37Å; P205-P216 HydrophobicContact CB-CG 4.02Å; P216-S218 VanDerWaalsContact C-N 3.25Å; P216-S218 PolarHBondContact O-N 3.09Å; P216-H219 VanDerWaalsContact CA-CE1 3.45Å; P216-H219 WeakPolarHBondContact CA-CE1 3.49Å; P216-H219 WeakPolarHBondContact CA-NE2 3.42Å; P216-G220 WeakPolarHBondContact O-CA 3.14Å; P216-G220 PolarHBondContact O-N 3.26Å; P216-V222 HydrophobicContact CB-CG1 4.32Å; P216-V222 VanDerWaalsContact O-CG1 3.26Å; P216-V222 WeakPolarHBondContact O-CG1 3.48Å
217	E	98.8	Very high	98.5	Very high	9 Å²	9	12.2 Å²	12.2	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-30	175.7	70.6	-175.7	179.1	0	0	113	Y215 H447 F448 A449 Y450 N451 I454	Y215-E217 VanDerWaalsContact C-N 3.25Å; Y215-E217 PolarHBondContact O-N 3.18Å; E217-H447 VanDerWaalsContact CG-O 3.29Å; E217-H447 WeakPolarHBondContact CG-O 3.24Å; E217-H447 WeakPolarHBondContact OE1-CB 3.06Å; E217-F448 PolarHBondContact OE2-N 2.91Å; E217-A449 PolarHBondContact OE2-N 3.42Å; E217-Y450 PolarHBondContact OE2-N 3.23Å; E217-N451 HydrophobicContact CB-CB 4.14Å; E217-N451 WeakPolarHBondContact O-CB 3.49Å; E217-N451 PolarHBondContact O-ND2 2.64Å; E217-I454 HydrophobicContact CB-CD1 3.95Å
218	S	98.8	Very high	98.4	Very high	51 Å²	51	12.3 Å²	12.3	36%	0.357	6%	0.063	S	C	.	.	H	α-helix	trans	-85	-44.4	-179.7	-69.6	0	0	0	0	112.8	Y215 P216 G220	Y215-S218 WeakPolarHBondContact O-CB 3.35Å; Y215-S218 PolarHBondContact O-N 3.28Å; P216-S218 VanDerWaalsContact C-N 3.25Å; P216-S218 PolarHBondContact O-N 3.09Å; S218-G220 VanDerWaalsContact C-N 3.34Å
219	H	98.8	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-85.9	-7.2	179.9	67.2	64.9	0	0	0	113.8	P205 Y208 T209 L214 Y215 P216 I221 Q249	P205-H219 PolarHBondContact O-NE2 3.42Å; Y208-H219 HydrophobicContact CD1-CB 3.87Å; Y208-H219 AromaticContact CD1-CG 3.71Å; Y208-H219 AromaticContact CD1-ND1 3.56Å; Y208-H219 HydrophobicContact CE1-CB 3.93Å; T209-H219 PolarHBondContact OG1-NE2 2.96Å; L214-H219 HydrophobicContact CB-CB 3.91Å; L214-H219 HydrophobicContact CD1-CB 4.01Å; L214-H219 PolarHBondContact O-CD2 3.17Å; Y215-H219 VanDerWaalsContact C-CD2 3.46Å; Y215-H219 PolarHBondContact O-CD2 3.23Å; Y215-H219 PolarHBondContact O-N 2.64Å; P216-H219 VanDerWaalsContact CA-CE1 3.45Å; P216-H219 WeakPolarHBondContact CA-CE1 3.49Å; P216-H219 WeakPolarHBondContact CA-NE2 3.42Å; H219-I221 VanDerWaalsContact C-N 3.3Å; H219-I221 PolarHBondContact CE1-O 3.49Å; H219-I221 PolarHBondContact ND1-N 2.95Å; H219-I221 VanDerWaalsContact ND1-N 3.15Å; H219-I221 PolarHBondContact O-N 3.45Å; H219-Q249 WeakPolarHBondContact O-CB 3.33Å; H219-Q249 PolarHBondContact O-N 3.39Å; H219-Q249 PolarHBondContact O-OE1 3.03Å
220	G	98.5	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	76	3.7	169.5	0	0	0	0	0	116.9	P216 S218 V222 R453	P216-G220 WeakPolarHBondContact O-CA 3.14Å; P216-G220 PolarHBondContact O-N 3.26Å; S218-G220 VanDerWaalsContact C-N 3.34Å; G220-V222 PolarHBondContact O-N 2.77Å; G220-R453 VanDerWaalsContact O-CD 3.29Å; G220-R453 WeakPolarHBondContact O-CD 3.31Å; G220-R453 PolarHBondContact O-NH1 2.86Å
221	I	98.7	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.			trans	-97.4	78.9	171.8	-53.3	-63.9	0	0	0	107.5	F204 P205 Y208 H219 M226 F235 W247 Y248	F204-I221 HydrophobicContact CB-CG2 3.73Å; F204-I221 HydrophobicContact CD1-CG2 4.41Å; P205-I221 WeakPolarHBondContact CA-O 3.41Å; P205-I221 WeakPolarHBondContact CB-O 3.49Å; P205-I221 WeakPolarHBondContact CG-O 3.16Å; Y208-I221 HydrophobicContact CD1-CG1 3.95Å; Y208-I221 HydrophobicContact CE1-CG1 4.37Å; Y208-I221 HydrophobicContact CG-CG1 4.41Å; H219-I221 VanDerWaalsContact C-N 3.3Å; H219-I221 PolarHBondContact CE1-O 3.49Å; H219-I221 PolarHBondContact ND1-N 2.95Å; H219-I221 VanDerWaalsContact ND1-N 3.15Å; H219-I221 PolarHBondContact O-N 3.45Å; I221-M226 HydrophobicContact CD1-CE 3.95Å; I221-M226 HydrophobicContact CG2-CE 4.28Å; I221-F235 HydrophobicContact CD1-CE2 4.49Å; I221-W247 HydrophobicContact CD1-CB 3.85Å; I221-W247 WeakPolarHBondContact CD1-O 3.37Å; I221-Y248 HydrophobicContact CD1-CD1 3.78Å; I221-Y248 HydrophobicContact CD1-CD2 4.36Å; I221-Y248 HydrophobicContact CD1-CE1 3.76Å; I221-Y248 HydrophobicContact CD1-CE2 4.32Å; I221-Y248 HydrophobicContact CD1-CG 4.1Å; I221-Y248 HydrophobicContact CG1-CD1 3.93Å; I221-Y248 HydrophobicContact CG1-CE1 4.09Å
222	V	98.5	Very high	98.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.13	C	C	.	.			trans	-85.2	-18.4	-170.8	-58.8	0	0	0	0	114.2	P200 P216 G220 M226 F448 N451 R453 I454	P200-V222 WeakPolarHBondContact CD-O 3.03Å; P200-V222 VanDerWaalsContact CG-O 3.28Å; P200-V222 WeakPolarHBondContact CG-O 3.49Å; P216-V222 HydrophobicContact CB-CG1 4.32Å; P216-V222 VanDerWaalsContact O-CG1 3.26Å; P216-V222 WeakPolarHBondContact O-CG1 3.48Å; G220-V222 PolarHBondContact O-N 2.77Å; V222-M226 HydrophobicContact CB-SD 4.19Å; V222-M226 HydrophobicContact CG2-CB 4.46Å; V222-M226 HydrophobicContact CG2-CG 3.86Å; V222-M226 HydrophobicContact CG2-SD 3.42Å; V222-M226 WeakPolarHBondContact CG2-SD 3.49Å; V222-M226 PolarHBondContact N-SD 2.94Å; V222-F448 HydrophobicContact CB-CE2 3.94Å; V222-F448 HydrophobicContact CB-CZ 4.38Å; V222-F448 HydrophobicContact CG1-CE2 4.48Å; V222-N451 HydrophobicContact CG1-CB 4.29Å; V222-R453 HydrophobicContact CG2-CB 3.74Å; V222-I454 HydrophobicContact CB-CD1 4.47Å; V222-I454 HydrophobicContact CB-CG1 3.86Å; V222-I454 HydrophobicContact CG1-CD1 3.96Å; V222-I454 HydrophobicContact CG1-CG1 3.66Å; V222-I454 HydrophobicContact CG2-CG1 4.06Å
223	D	98.6	Very high	98	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.064	14%	0.136	C	C	.	.	S	Bend	trans	-161.5	171.8	171.1	-155.9	-37.5	0	0	0	110	K225 M226 R403	D223-K225 PolarHBondContact O-N 3.19Å; D223-M226 HydrophobicContact CB-CG 4.21Å; D223-M226 PolarHBondContact N-SD 2.91Å; D223-M226 VanDerWaalsContact O-CG 3.29Å; D223-M226 WeakPolarHBondContact O-CG 3.38Å; D223-R403 IonicContact OD2-CZ 3.31Å; D223-R403 IonicContact OD2-NH1 2.66Å; D223-R403 PolarHBondContact OD2-NH1 3.24Å; D223-R403 IonicContact OD2-NH2 3.79Å; D223-R403 PolarHBondContact OD2-NH2 3.1Å
224	N	96.4	Very high	97.9	Very high	27 Å²	27	30.4 Å²	30.4	14%	0.144	16%	0.155	C	C	.	.	S	Bend	trans	-66.7	-13.8	168.9	-66.2	-6.3	0	0	0	112.7	F204 L237	F204-N224 WeakPolarHBondContact CB-OD1 3.41Å; F204-N224 PolarHBondContact N-OD1 3.3Å; N224-L237 HydrophobicContact CB-CD1 3.96Å; N224-L237 HydrophobicContact CB-CD2 4.4Å; N224-L237 HydrophobicContact CB-CG 4.08Å
225	K	95.9	Very high	97.9	Very high	123 Å²	123	29.5 Å²	29.5	54%	0.535	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	120.2	175.3	-64.6	-178.1	-177.6	179.8	0	110.6	D223 F235 T236	D223-K225 PolarHBondContact O-N 3.19Å; K225-F235 WeakPolarHBondContact CA-O 3.47Å; K225-T236 HydrophobicContact CG-CG2 4.41Å
226	M	97.6	Very high	97.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.1	-173.2	-44.6	178.5	-81	0	0	111.4	I221 V222 D223 F234 F235 W247	I221-M226 HydrophobicContact CD1-CE 3.95Å; I221-M226 HydrophobicContact CG2-CE 4.28Å; V222-M226 HydrophobicContact CB-SD 4.19Å; V222-M226 HydrophobicContact CG2-CB 4.46Å; V222-M226 HydrophobicContact CG2-CG 3.86Å; V222-M226 HydrophobicContact CG2-SD 3.42Å; V222-M226 WeakPolarHBondContact CG2-SD 3.49Å; V222-M226 PolarHBondContact N-SD 2.94Å; D223-M226 HydrophobicContact CB-CG 4.21Å; D223-M226 PolarHBondContact N-SD 2.91Å; D223-M226 VanDerWaalsContact O-CG 3.29Å; D223-M226 WeakPolarHBondContact O-CG 3.38Å; M226-F234 WeakPolarHBondContact O-CA 3.46Å; M226-F235 HydrophobicContact CB-CB 4.17Å; M226-F235 HydrophobicContact CE-CB 3.82Å; M226-F235 HydrophobicContact CE-CD1 3.35Å; M226-F235 HydrophobicContact CE-CD2 4.01Å; M226-F235 HydrophobicContact CE-CE1 3.8Å; M226-F235 HydrophobicContact CE-CE2 4.39Å; M226-F235 HydrophobicContact CE-CG 3.46Å; M226-F235 VanDerWaalsContact CE-CG 3.46Å; M226-F235 HydrophobicContact CE-CZ 4.31Å; M226-F235 HydrophobicContact CG-CD1 4.42Å; M226-F235 PolarHBondContact N-O 3.36Å; M226-F235 PolarHBondContact O-N 2.94Å; M226-W247 HydrophobicContact CB-CZ3 4.31Å; M226-W247 HydrophobicContact CE-CE3 3.95Å; M226-W247 HydrophobicContact CE-CZ3 4.42Å
227	Y	98.3	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.9	170.1	173.5	-106.6	0	0	0	109.5	V229 N232 A233 F234 R405 L409 P410 Y413	Y227-V229 HydrophobicContact CD1-CB 4.49Å; Y227-V229 VanDerWaalsContact CE1-CA 3.48Å; Y227-V229 HydrophobicContact CE1-CB 3.81Å; Y227-V229 HydrophobicContact CE1-CG2 4.27Å; Y227-N232 WeakPolarHBondContact CE2-OD1 3.13Å; Y227-N232 PolarHBondContact OH-OD1 2.8Å; Y227-A233 WeakPolarHBondContact CA-O 2.91Å; Y227-A233 VanDerWaalsContact CD2-O 3.23Å; Y227-A233 WeakPolarHBondContact CD2-O 3.46Å; Y227-F234 AromaticContact CD2-CD1 3.68Å; Y227-F234 HydrophobicContact CD2-CD1 3.68Å; Y227-F234 HydrophobicContact CD2-CD2 4.11Å; Y227-F234 AromaticContact CD2-CE1 3.35Å; Y227-F234 HydrophobicContact CD2-CE1 3.35Å; Y227-F234 AromaticContact CD2-CE2 3.84Å; Y227-F234 HydrophobicContact CD2-CE2 3.84Å; Y227-F234 HydrophobicContact CD2-CG 4.05Å; Y227-F234 AromaticContact CD2-CZ 3.45Å; Y227-F234 HydrophobicContact CD2-CZ 3.45Å; Y227-F234 VanDerWaalsContact CD2-CZ 3.45Å; Y227-F234 HydrophobicContact CE2-CE1 4.2Å; Y227-F234 AromaticContact CE2-CE2 3.99Å; Y227-F234 HydrophobicContact CE2-CE2 3.99Å; Y227-F234 AromaticContact CE2-CZ 3.83Å; Y227-F234 HydrophobicContact CE2-CZ 3.83Å; Y227-F234 HydrophobicContact CG-CD1 4.19Å; Y227-F234 AromaticContact CG-CE1 3.78Å; Y227-F234 HydrophobicContact CG-CE1 3.78Å; Y227-F234 HydrophobicContact CG-CZ 4.21Å; Y227-R405 VanDerWaalsContact CB-NH1 3.28Å; Y227-L409 HydrophobicContact CD1-CD1 4.26Å; Y227-L409 HydrophobicContact CD1-CD2 4.42Å; Y227-L409 HydrophobicContact CD2-CD1 4.48Å; Y227-L409 HydrophobicContact CE1-CB 4.37Å; Y227-L409 HydrophobicContact CE1-CD1 4.08Å; Y227-L409 HydrophobicContact CE1-CD2 3.85Å; Y227-L409 HydrophobicContact CE1-CG 4.33Å; Y227-L409 HydrophobicContact CE2-CD1 4.31Å; Y227-L409 HydrophobicContact CG-CD1 4.45Å; Y227-P410 WeakPolarHBondContact OH-CB 3.07Å; Y227-Y413 AromaticContact CD1-CD2 4Å; Y227-Y413 HydrophobicContact CD1-CD2 4Å; Y227-Y413 AromaticContact CD1-CE2 3.9Å; Y227-Y413 HydrophobicContact CD1-CE2 3.9Å; Y227-Y413 AromaticContact CE1-CD2 3.88Å; Y227-Y413 HydrophobicContact CE1-CD2 3.88Å; Y227-Y413 HydrophobicContact CE1-CE2 4.24Å
228	D	98.2	Very high	97	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.3	173.5	-170	-40.6	0	0	0	109.1	T230 R231 N232 A233 W247 K452 R453	D228-T230 VanDerWaalsContact C-N 3.26Å; D228-T230 PolarHBondContact O-N 2.78Å; D228-T230 PolarHBondContact OD1-N 3.02Å; D228-T230 PolarHBondContact OD1-OG1 3.15Å; D228-R231 HydrophobicContact CB-CB 4.34Å; D228-R231 PolarHBondContact O-N 2.98Å; D228-R231 PolarHBondContact OD1-N 2.93Å; D228-N232 WeakPolarHBondContact O-CA 3.48Å; D228-N232 PolarHBondContact O-N 3.26Å; D228-A233 PolarHBondContact N-O 3.22Å; D228-A233 PolarHBondContact O-N 3.37Å; D228-W247 HydrophobicContact CB-CH2 3.53Å; D228-W247 HydrophobicContact CB-CZ2 4.45Å; D228-W247 HydrophobicContact CB-CZ3 3.63Å; D228-K452 VanDerWaalsContact OD1-CE 3.23Å; D228-K452 WeakPolarHBondContact OD1-CE 3.34Å; D228-K452 IonicContact OD1-NZ 3.64Å; D228-K452 VanDerWaalsContact OD2-CE 3.28Å; D228-K452 WeakPolarHBondContact OD2-CE 3.39Å; D228-K452 IonicContact OD2-NZ 3.94Å; D228-R453 HydrophobicContact CB-CG 4.18Å; D228-R453 IonicContact OD2-CZ 2.67Å; D228-R453 IonicContact OD2-NE 3.23Å; D228-R453 PolarHBondContact OD2-NE 2.9Å; D228-R453 IonicContact OD2-NH2 2.68Å; D228-R453 PolarHBondContact OD2-NH2 2.84Å; D228-R453 VanDerWaalsContact OD2-NH2 3.09Å
229	V	97.8	Very high	96.7	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.085	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.6	-177.7	64.1	0	0	0	0	113.1	Y227 R231 N232 P410 Y413 F414	Y227-V229 HydrophobicContact CD1-CB 4.49Å; Y227-V229 VanDerWaalsContact CE1-CA 3.48Å; Y227-V229 HydrophobicContact CE1-CB 3.81Å; Y227-V229 HydrophobicContact CE1-CG2 4.27Å; V229-R231 VanDerWaalsContact C-N 3.29Å; V229-R231 PolarHBondContact O-N 2.8Å; V229-N232 PolarHBondContact O-N 2.98Å; V229-P410 HydrophobicContact CG2-CB 3.81Å; V229-Y413 HydrophobicContact CB-CD1 3.74Å; V229-Y413 HydrophobicContact CB-CD2 4.18Å; V229-Y413 HydrophobicContact CB-CE1 4.14Å; V229-Y413 HydrophobicContact CB-CG 3.78Å; V229-Y413 HydrophobicContact CG1-CD1 3.77Å; V229-Y413 HydrophobicContact CG1-CE1 3.92Å; V229-Y413 HydrophobicContact CG1-CG 4.34Å; V229-Y413 HydrophobicContact CG2-CD1 3.79Å; V229-Y413 HydrophobicContact CG2-CD2 4.34Å; V229-Y413 HydrophobicContact CG2-CG 3.62Å; V229-F414 HydrophobicContact CG1-CE2 3.81Å; V229-F414 HydrophobicContact CG1-CZ 3.59Å; V229-F414 HydrophobicContact CG2-CE2 4.01Å
230	T	96.8	Very high	96.6	Very high	91 Å²	91	50 Å²	50	56%	0.558	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.1	-177.3	61.9	0	0	0	0	113	D228 K452	D228-T230 VanDerWaalsContact C-N 3.26Å; D228-T230 PolarHBondContact O-N 2.78Å; D228-T230 PolarHBondContact OD1-N 3.02Å; D228-T230 PolarHBondContact OD1-OG1 3.15Å; T230-K452 HydrophobicContact CG2-CD 3.63Å; T230-K452 WeakPolarHBondContact OG1-CE 3.45Å; T230-K452 PolarHBondContact OG1-NZ 2.88Å
231	R	95.9	Very high	96.5	Very high	80 Å²	80	52.8 Å²	52.8	30%	0.302	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-9.7	177.8	-65.2	163.6	53.6	89.5	-3	112.1	D228 V229 A233 E241 N244 N246	D228-R231 HydrophobicContact CB-CB 4.34Å; D228-R231 PolarHBondContact O-N 2.98Å; D228-R231 PolarHBondContact OD1-N 2.93Å; V229-R231 VanDerWaalsContact C-N 3.29Å; V229-R231 PolarHBondContact O-N 2.8Å; R231-A233 HydrophobicContact CB-CB 4.07Å; R231-A233 PolarHBondContact O-N 3.11Å; R231-E241 IonicContact NH2-OE2 3.08Å; R231-N244 PolarHBondContact NH2-ND2 3.12Å; R231-N244 PolarHBondContact NH2-OD1 3.17Å; R231-N246 VanDerWaalsContact CZ-CB 3.41Å; R231-N246 PolarHBondContact NH1-ND2 3.25Å
232	N	97.2	Very high	96.4	Very high	87 Å²	87	53.3 Å²	53.3	47%	0.465	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	46.2	-169	-168.2	30.4	0	0	0	112.7	Y227 D228 V229	Y227-N232 WeakPolarHBondContact CE2-OD1 3.13Å; Y227-N232 PolarHBondContact OH-OD1 2.8Å; D228-N232 WeakPolarHBondContact O-CA 3.48Å; D228-N232 PolarHBondContact O-N 3.26Å; V229-N232 PolarHBondContact O-N 2.98Å
233	A	97.6	Very high	96.3	Very high	16 Å²	16	57.1 Å²	57.1	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.4	-172.5	0	0	0	0	0	111.7	Y227 D228 R231 W247	Y227-A233 WeakPolarHBondContact CA-O 2.91Å; Y227-A233 VanDerWaalsContact CD2-O 3.23Å; Y227-A233 WeakPolarHBondContact CD2-O 3.46Å; D228-A233 PolarHBondContact N-O 3.22Å; D228-A233 PolarHBondContact O-N 3.37Å; R231-A233 HydrophobicContact CB-CB 4.07Å; R231-A233 PolarHBondContact O-N 3.11Å; A233-W247 HydrophobicContact CB-CH2 4.46Å; A233-W247 HydrophobicContact CB-CZ2 3.86Å; A233-W247 WeakPolarHBondContact O-CH2 3.46Å
234	F	97.6	Very high	96.3	Very high	95 Å²	95	58.7 Å²	58.7	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.2	175.7	-68.8	-82	0	0	0	110.7	M226 Y227 E241 L409	M226-F234 WeakPolarHBondContact O-CA 3.46Å; Y227-F234 AromaticContact CD2-CD1 3.68Å; Y227-F234 HydrophobicContact CD2-CD1 3.68Å; Y227-F234 HydrophobicContact CD2-CD2 4.11Å; Y227-F234 AromaticContact CD2-CE1 3.35Å; Y227-F234 HydrophobicContact CD2-CE1 3.35Å; Y227-F234 AromaticContact CD2-CE2 3.84Å; Y227-F234 HydrophobicContact CD2-CE2 3.84Å; Y227-F234 HydrophobicContact CD2-CG 4.05Å; Y227-F234 AromaticContact CD2-CZ 3.45Å; Y227-F234 HydrophobicContact CD2-CZ 3.45Å; Y227-F234 VanDerWaalsContact CD2-CZ 3.45Å; Y227-F234 HydrophobicContact CE2-CE1 4.2Å; Y227-F234 AromaticContact CE2-CE2 3.99Å; Y227-F234 HydrophobicContact CE2-CE2 3.99Å; Y227-F234 AromaticContact CE2-CZ 3.83Å; Y227-F234 HydrophobicContact CE2-CZ 3.83Å; Y227-F234 HydrophobicContact CG-CD1 4.19Å; Y227-F234 AromaticContact CG-CE1 3.78Å; Y227-F234 HydrophobicContact CG-CE1 3.78Å; Y227-F234 HydrophobicContact CG-CZ 4.21Å; F234-E241 WeakPolarHBondContact O-CB 3.11Å; F234-E241 WeakPolarHBondContact O-CG 3.29Å; F234-L409 HydrophobicContact CE1-CD1 4.35Å; F234-L409 HydrophobicContact CZ-CD1 3.85Å
235	F	97.8	Very high	96.4	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.1	170.2	179.7	-88.8	0	0	0	109.9	F204 I221 K225 M226 L237 K242 W247 Y248	F204-F235 HydrophobicContact CD1-CE1 4.28Å; F204-F235 AromaticContact CD1-CZ 3.83Å; F204-F235 HydrophobicContact CD1-CZ 3.83Å; F204-F235 HydrophobicContact CE1-CZ 4.04Å; I221-F235 HydrophobicContact CD1-CE2 4.49Å; K225-F235 WeakPolarHBondContact CA-O 3.47Å; M226-F235 HydrophobicContact CB-CB 4.17Å; M226-F235 HydrophobicContact CE-CB 3.82Å; M226-F235 HydrophobicContact CE-CD1 3.35Å; M226-F235 HydrophobicContact CE-CD2 4.01Å; M226-F235 HydrophobicContact CE-CE1 3.8Å; M226-F235 HydrophobicContact CE-CE2 4.39Å; M226-F235 HydrophobicContact CE-CG 3.46Å; M226-F235 VanDerWaalsContact CE-CG 3.46Å; M226-F235 HydrophobicContact CE-CZ 4.31Å; M226-F235 HydrophobicContact CG-CD1 4.42Å; M226-F235 PolarHBondContact N-O 3.36Å; M226-F235 PolarHBondContact O-N 2.94Å; F235-L237 HydrophobicContact CE1-CD2 3.68Å; F235-L237 HydrophobicContact CZ-CD2 4.03Å; F235-K242 HydrophobicContact CE2-CB 4.31Å; F235-K242 HydrophobicContact CE2-CG 4.3Å; F235-K242 HydrophobicContact CZ-CG 4.26Å; F235-W247 HydrophobicContact CB-CD2 3.85Å; F235-W247 HydrophobicContact CB-CE3 3.87Å; F235-W247 HydrophobicContact CB-CH2 3.78Å; F235-W247 HydrophobicContact CB-CZ2 3.76Å; F235-W247 HydrophobicContact CB-CZ3 3.83Å; F235-W247 HydrophobicContact CD2-CB 4.06Å; F235-W247 AromaticContact CD2-CD1 3.72Å; F235-W247 AromaticContact CD2-CD2 3.79Å; F235-W247 HydrophobicContact CD2-CD2 3.79Å; F235-W247 HydrophobicContact CD2-CE3 4.36Å; F235-W247 AromaticContact CD2-CG 3.6Å; F235-W247 HydrophobicContact CD2-CG 3.6Å; F235-W247 HydrophobicContact CE2-CB 4.25Å; F235-W247 HydrophobicContact CE2-CG 4.23Å; F235-W247 HydrophobicContact CG-CD2 4.21Å; F235-W247 HydrophobicContact CG-CE3 4.4Å; F235-W247 HydrophobicContact CG-CG 4.46Å; F235-Y248 HydrophobicContact CE2-CE2 4.28Å
236	T	95.4	Very high	96.4	Very high	37 Å²	37	57.6 Å²	57.6	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.4	164	81	0	0	0	0	109.9	K225 K238 T239	K225-T236 HydrophobicContact CG-CG2 4.41Å; T236-K238 PolarHBondContact O-N 3.25Å; T236-K238 PolarHBondContact OG1-N 2.84Å; T236-T239 PolarHBondContact O-N 3.49Å; T236-T239 PolarHBondContact O-OG1 3.35Å; T236-T239 WeakPolarHBondContact OG1-CG2 2.98Å; T236-T239 PolarHBondContact OG1-OG1 2.98Å
237	L	91.8	Very high	96.5	Very high	64 Å²	64	57.4 Å²	57.4	34%	0.335	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.1	178.4	-50	-170.3	0	0	0	114.4	F204 N224 F235	F204-L237 HydrophobicContact CB-CD2 4.43Å; F204-L237 HydrophobicContact CD1-CD2 3.54Å; F204-L237 HydrophobicContact CD2-CD1 3.76Å; F204-L237 HydrophobicContact CD2-CD2 3.5Å; F204-L237 HydrophobicContact CD2-CG 4.28Å; F204-L237 HydrophobicContact CE1-CD2 3.51Å; F204-L237 HydrophobicContact CE2-CD1 3.75Å; F204-L237 HydrophobicContact CE2-CD2 3.49Å; F204-L237 VanDerWaalsContact CE2-CD2 3.49Å; F204-L237 HydrophobicContact CE2-CG 4.18Å; F204-L237 HydrophobicContact CG-CD2 3.54Å; F204-L237 HydrophobicContact CZ-CD1 4.49Å; F204-L237 HydrophobicContact CZ-CD2 3.5Å; F204-L237 HydrophobicContact CZ-CG 4.47Å; N224-L237 HydrophobicContact CB-CD1 3.96Å; N224-L237 HydrophobicContact CB-CD2 4.4Å; N224-L237 HydrophobicContact CB-CG 4.08Å; F235-L237 HydrophobicContact CE1-CD2 3.68Å; F235-L237 HydrophobicContact CZ-CD2 4.03Å
238	K	91.1	Very high	96.5	Very high	201 Å²	201	58 Å²	58	87%	0.874	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-0.3	-172.7	-62.5	-172.9	177.7	-172.8	0	113.9	T236	T236-K238 PolarHBondContact O-N 3.25Å; T236-K238 PolarHBondContact OG1-N 2.84Å
239	T	92.9	Very high	96.5	Very high	59 Å²	59	60.7 Å²	60.7	36%	0.362	31%	0.309	S	S	.	.	S	Bend	trans	-121.8	156.3	-174.4	51.5	0	0	0	0	110.1	T236 E241 K242	T236-T239 PolarHBondContact O-N 3.49Å; T236-T239 PolarHBondContact O-OG1 3.35Å; T236-T239 WeakPolarHBondContact OG1-CG2 2.98Å; T236-T239 PolarHBondContact OG1-OG1 2.98Å; T239-E241 PolarHBondContact O-N 3.12Å; T239-E241 VanDerWaalsContact O-N 3.09Å; T239-K242 WeakPolarHBondContact O-CB 3.26Å; T239-K242 PolarHBondContact O-N 3.39Å
240	D	95.3	Very high	96.5	Very high	136 Å²	136	62.1 Å²	62.1	73%	0.727	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.5	-179.4	-64.2	-20.7	0	0	0	113.7	K242 F243	D240-K242 PolarHBondContact O-N 3.45Å; D240-K242 VanDerWaalsContact O-N 3.08Å; D240-F243 HydrophobicContact CB-CD2 4.44Å; D240-F243 WeakPolarHBondContact O-CB 3.37Å; D240-F243 PolarHBondContact O-N 3.34Å
241	E	96.6	Very high	96.6	Very high	60 Å²	60	59.1 Å²	59.1	28%	0.28	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-54.8	-24.8	169.4	-83.3	-62.2	136.4	0	0	113.2	R231 F234 T239 F243 N244 W247	R231-E241 IonicContact NH2-OE2 3.08Å; F234-E241 WeakPolarHBondContact O-CB 3.11Å; F234-E241 WeakPolarHBondContact O-CG 3.29Å; T239-E241 PolarHBondContact O-N 3.12Å; T239-E241 VanDerWaalsContact O-N 3.09Å; E241-F243 PolarHBondContact O-N 3.48Å; E241-N244 WeakPolarHBondContact O-CB 3.4Å; E241-N244 PolarHBondContact O-N 3.28Å; E241-W247 PolarHBondContact O-NE1 3.42Å; E241-W247 PolarHBondContact OE2-NE1 3.23Å
242	K	97	Very high	96.7	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.048	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56	-32.9	171	-173.7	-157.4	141.7	-169	0	111.8	F204 F235 T239 D240 N244 Y248 D273 V274	F204-K242 HydrophobicContact CE1-CD 4.26Å; F204-K242 HydrophobicContact CE1-CG 4.07Å; F204-K242 HydrophobicContact CZ-CD 4.12Å; F204-K242 HydrophobicContact CZ-CG 4.43Å; F235-K242 HydrophobicContact CE2-CB 4.31Å; F235-K242 HydrophobicContact CE2-CG 4.3Å; F235-K242 HydrophobicContact CZ-CG 4.26Å; T239-K242 WeakPolarHBondContact O-CB 3.26Å; T239-K242 PolarHBondContact O-N 3.39Å; D240-K242 PolarHBondContact O-N 3.45Å; D240-K242 VanDerWaalsContact O-N 3.08Å; K242-N244 VanDerWaalsContact C-N 3.31Å; K242-Y248 WeakPolarHBondContact O-CE2 3.23Å; K242-Y248 PolarHBondContact O-OH 3.4Å; K242-D273 WeakPolarHBondContact CE-OD1 3.2Å; K242-D273 VanDerWaalsContact NZ-CG 3.35Å; K242-D273 IonicContact NZ-OD1 3.72Å; K242-D273 PolarHBondContact NZ-OD1 3.33Å; K242-D273 IonicContact NZ-OD2 3.78Å; K242-D273 PolarHBondContact NZ-OD2 3.43Å; K242-V274 WeakPolarHBondContact O-CG2 3.27Å
243	F	97.8	Very high	96.8	Very high	81 Å²	81	51.2 Å²	51.2	36%	0.355	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-86.9	-0.5	-178.8	-53	-63.8	0	0	0	113.5	D240 E241 S245 D273 M286	D240-F243 HydrophobicContact CB-CD2 4.44Å; D240-F243 WeakPolarHBondContact O-CB 3.37Å; D240-F243 PolarHBondContact O-N 3.34Å; E241-F243 PolarHBondContact O-N 3.48Å; F243-S245 PolarHBondContact O-N 2.71Å; F243-D273 WeakPolarHBondContact CD1-O 3.15Å; F243-D273 HydrophobicContact CE1-CB 4.39Å; F243-M286 HydrophobicContact CD1-CE 4.14Å; F243-M286 HydrophobicContact CE1-CE 3.44Å; F243-M286 VanDerWaalsContact CE1-CE 3.44Å; F243-M286 HydrophobicContact CE2-CE 4.45Å; F243-M286 HydrophobicContact CZ-CE 3.62Å
244	N	97.8	Very high	96.9	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	26%	0.263	C	S	.	.			trans	-80.4	110.4	178.4	-164.8	-36.5	0	0	0	110.1	R231 E241 K242 N246 W247	R231-N244 PolarHBondContact NH2-ND2 3.12Å; R231-N244 PolarHBondContact NH2-OD1 3.17Å; E241-N244 WeakPolarHBondContact O-CB 3.4Å; E241-N244 PolarHBondContact O-N 3.28Å; K242-N244 VanDerWaalsContact C-N 3.31Å; N244-N246 PolarHBondContact O-N 3.09Å; N244-N246 WeakPolarHBondContact OD1-CB 3.12Å; N244-N246 PolarHBondContact OD1-N 2.97Å; N244-N246 PolarHBondContact OD1-ND2 2.8Å; N244-W247 VanDerWaalsContact O-CD1 3.26Å; N244-W247 PolarHBondContact O-N 3.04Å; N244-W247 VanDerWaalsContact O-N 3.11Å
245	S	97.6	Very high	96.9	Very high	44 Å²	44	46.7 Å²	46.7	31%	0.308	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.4	-174.7	58.2	0	0	0	0	114.3	F243 W247 Y248 A275	F243-S245 PolarHBondContact O-N 2.71Å; S245-W247 PolarHBondContact O-N 2.9Å; S245-W247 VanDerWaalsContact O-N 3.16Å; S245-Y248 PolarHBondContact O-N 2.77Å; S245-A275 WeakPolarHBondContact CB-O 3.43Å
246	N	97.1	Very high	97	Very high	84 Å²	84	46.6 Å²	46.6	45%	0.449	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-65.7	-14.2	177	-66.4	-63.2	0	0	0	114.5	R231 N244 Y248 Q249 R453	R231-N246 VanDerWaalsContact CZ-CB 3.41Å; R231-N246 PolarHBondContact NH1-ND2 3.25Å; N244-N246 PolarHBondContact O-N 3.09Å; N244-N246 WeakPolarHBondContact OD1-CB 3.12Å; N244-N246 PolarHBondContact OD1-N 2.97Å; N244-N246 PolarHBondContact OD1-ND2 2.8Å; N246-Y248 VanDerWaalsContact C-N 3.31Å; N246-Q249 PolarHBondContact O-NE2 3.14Å; N246-R453 PolarHBondContact O-NH2 3.18Å
247	W	98.4	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.1	-21.9	170.5	-65.7	106.9	0	0	0	112.7	I221 M226 D228 A233 F235 E241 N244 S245 Q249 R453	I221-W247 HydrophobicContact CD1-CB 3.85Å; I221-W247 WeakPolarHBondContact CD1-O 3.37Å; M226-W247 HydrophobicContact CB-CZ3 4.31Å; M226-W247 HydrophobicContact CE-CE3 3.95Å; M226-W247 HydrophobicContact CE-CZ3 4.42Å; D228-W247 HydrophobicContact CB-CH2 3.53Å; D228-W247 HydrophobicContact CB-CZ2 4.45Å; D228-W247 HydrophobicContact CB-CZ3 3.63Å; A233-W247 HydrophobicContact CB-CH2 4.46Å; A233-W247 HydrophobicContact CB-CZ2 3.86Å; A233-W247 WeakPolarHBondContact O-CH2 3.46Å; F235-W247 HydrophobicContact CB-CD2 3.85Å; F235-W247 HydrophobicContact CB-CE3 3.87Å; F235-W247 HydrophobicContact CB-CH2 3.78Å; F235-W247 HydrophobicContact CB-CZ2 3.76Å; F235-W247 HydrophobicContact CB-CZ3 3.83Å; F235-W247 HydrophobicContact CD2-CB 4.06Å; F235-W247 AromaticContact CD2-CD1 3.72Å; F235-W247 AromaticContact CD2-CD2 3.79Å; F235-W247 HydrophobicContact CD2-CD2 3.79Å; F235-W247 HydrophobicContact CD2-CE3 4.36Å; F235-W247 AromaticContact CD2-CG 3.6Å; F235-W247 HydrophobicContact CD2-CG 3.6Å; F235-W247 HydrophobicContact CE2-CB 4.25Å; F235-W247 HydrophobicContact CE2-CG 4.23Å; F235-W247 HydrophobicContact CG-CD2 4.21Å; F235-W247 HydrophobicContact CG-CE3 4.4Å; F235-W247 HydrophobicContact CG-CG 4.46Å; E241-W247 PolarHBondContact O-NE1 3.42Å; E241-W247 PolarHBondContact OE2-NE1 3.23Å; N244-W247 VanDerWaalsContact O-CD1 3.26Å; N244-W247 PolarHBondContact O-N 3.04Å; N244-W247 VanDerWaalsContact O-N 3.11Å; S245-W247 PolarHBondContact O-N 2.9Å; S245-W247 VanDerWaalsContact O-N 3.16Å; W247-Q249 PolarHBondContact O-OE1 3.32Å; W247-R453 HydrophobicContact CZ3-CG 4.34Å; W247-R453 PolarHBondContact O-NH1 3.38Å
248	Y	98.6	Very high	97.5	Very high	11 Å²	11	44.5 Å²	44.5	4%	0.043	23%	0.234	C	C	.	.			trans	-107	111	-168.4	-61.6	-94.2	0	0	0	109.9	Y208 I221 F235 K242 S245 N246 V274 I276	Y208-Y248 HydrophobicContact CD2-CD1 4.21Å; Y208-Y248 HydrophobicContact CE1-CD1 4.13Å; Y208-Y248 AromaticContact CE2-CD1 3.78Å; Y208-Y248 HydrophobicContact CE2-CD1 3.78Å; Y208-Y248 AromaticContact CZ-CD1 3.75Å; I221-Y248 HydrophobicContact CD1-CD1 3.78Å; I221-Y248 HydrophobicContact CD1-CD2 4.36Å; I221-Y248 HydrophobicContact CD1-CE1 3.76Å; I221-Y248 HydrophobicContact CD1-CE2 4.32Å; I221-Y248 HydrophobicContact CD1-CG 4.1Å; I221-Y248 HydrophobicContact CG1-CD1 3.93Å; I221-Y248 HydrophobicContact CG1-CE1 4.09Å; F235-Y248 HydrophobicContact CE2-CE2 4.28Å; K242-Y248 WeakPolarHBondContact O-CE2 3.23Å; K242-Y248 PolarHBondContact O-OH 3.4Å; S245-Y248 PolarHBondContact O-N 2.77Å; N246-Y248 VanDerWaalsContact C-N 3.31Å; Y248-V274 HydrophobicContact CD2-CB 4.48Å; Y248-V274 HydrophobicContact CD2-CG1 3.8Å; Y248-V274 HydrophobicContact CD2-CG2 4.47Å; Y248-V274 HydrophobicContact CE1-CG2 4.48Å; Y248-V274 HydrophobicContact CE2-CB 4.35Å; Y248-V274 HydrophobicContact CE2-CG1 3.92Å; Y248-V274 HydrophobicContact CE2-CG2 3.86Å; Y248-V274 HydrophobicContact CG-CG1 4.46Å; Y248-I276 HydrophobicContact CD1-CD1 4.29Å; Y248-I276 HydrophobicContact CG-CD1 4.34Å; Y248-I276 HydrophobicContact CG-CG1 4.21Å
249	Q	98.4	Very high	97.8	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	22%	0.217	S	C	.	.			trans	-106.5	166.7	176.3	-71.1	66.2	80.3	0	0	110.6	Y208 H219 N246 W247	Y208-Q249 WeakPolarHBondContact CE1-O 3.16Å; Y208-Q249 PolarHBondContact OH-O 3.34Å; H219-Q249 WeakPolarHBondContact O-CB 3.33Å; H219-Q249 PolarHBondContact O-N 3.39Å; H219-Q249 PolarHBondContact O-OE1 3.03Å; N246-Q249 PolarHBondContact O-NE2 3.14Å; W247-Q249 PolarHBondContact O-OE1 3.32Å
250	G	98.1	Very high	98.1	Very high	45 Å²	45	41.7 Å²	41.7	46%	0.464	21%	0.214	S	C	.	.	S	Bend	trans	75.8	-164.6	-176	0	0	0	0	0	112.4
251	E	98.7	Very high	98.2	Very high	28 Å²	28	44.4 Å²	44.4	13%	0.131	22%	0.219	C	C	.	.			trans	-133.2	112.6	-176.1	-166.2	-176.7	112.1	0	0	112	L255 T256 R259 S529	E251-L255 HydrophobicContact CG-CB 3.84Å; E251-T256 WeakPolarHBondContact OE1-CA 3.5Å; E251-T256 VanDerWaalsContact OE1-CB 3.24Å; E251-T256 WeakPolarHBondContact OE1-CB 3.42Å; E251-T256 PolarHBondContact OE1-N 2.96Å; E251-T256 VanDerWaalsContact OE1-N 3.08Å; E251-T256 PolarHBondContact OE1-OG1 2.97Å; E251-R259 IonicContact OE1-CZ 3.3Å; E251-R259 IonicContact OE1-NE 2.8Å; E251-R259 PolarHBondContact OE1-NE 3.36Å; E251-R259 IonicContact OE1-NH1 3.16Å; E251-R259 IonicContact OE1-NH2 2.7Å; E251-R259 PolarHBondContact OE1-NH2 3.19Å; E251-R259 IonicContact OE2-CZ 2.7Å; E251-R259 IonicContact OE2-NE 3.15Å; E251-R259 IonicContact OE2-NH1 3.52Å; E251-R259 PolarHBondContact OE2-NH1 3.1Å; E251-R259 IonicContact OE2-NH2 3.35Å; E251-R259 PolarHBondContact OE2-NH2 2.96Å; E251-S529 PolarHBondContact OE1-OG 3.3Å
252	P	98.9	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.			trans	-70.9	149.1	176.8	30.9	-37.3	0	0	0	111.6	Y208 V211 T212 W254 L255 T256 I276	Y208-P252 HydrophobicContact CE2-CB 4.4Å; V211-P252 HydrophobicContact CB-CB 4.44Å; V211-P252 HydrophobicContact CG2-CB 4.03Å; V211-P252 CarbonylContact O-C 3.34Å; V211-P252 WeakPolarHBondContact O-CA 3.25Å; T212-P252 HydrophobicContact CG2-CB 4.3Å; P252-W254 HydrophobicContact CB-CD2 3.67Å; P252-W254 HydrophobicContact CB-CE3 3.9Å; P252-W254 HydrophobicContact CB-CG 4.43Å; P252-W254 HydrophobicContact CB-CH2 3.56Å; P252-W254 HydrophobicContact CB-CZ2 3.31Å; P252-W254 HydrophobicContact CB-CZ3 3.86Å; P252-W254 HydrophobicContact CG-CD2 3.96Å; P252-W254 HydrophobicContact CG-CG 4.42Å; P252-W254 HydrophobicContact CG-CH2 4.17Å; P252-W254 HydrophobicContact CG-CZ2 3.39Å; P252-W254 VanDerWaalsContact CG-NE1 3.34Å; P252-W254 PolarHBondContact O-N 3.36Å; P252-L255 HydrophobicContact CG-CB 4.46Å; P252-L255 HydrophobicContact CG-CD1 4.06Å; P252-L255 HydrophobicContact CG-CG 4Å; P252-L255 WeakPolarHBondContact O-CB 3.19Å; P252-L255 PolarHBondContact O-N 2.93Å; P252-T256 PolarHBondContact O-N 3.05Å; P252-T256 PolarHBondContact O-OG1 3.1Å; P252-I276 HydrophobicContact CG-CD1 4.01Å; P252-I276 HydrophobicContact CG-CG2 4.45Å
253	V	98.9	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-29.9	-172	69.5	0	0	0	0	114	V211 L255 T256 A257 F314 Y517 M520 L524	V211-V253 HydrophobicContact CB-CG1 4.13Å; V211-V253 HydrophobicContact CG1-CG1 4.2Å; V211-V253 PolarHBondContact O-N 2.64Å; V253-L255 VanDerWaalsContact C-N 3.35Å; V253-L255 PolarHBondContact O-N 2.98Å; V253-T256 WeakPolarHBondContact O-CB 3.44Å; V253-T256 PolarHBondContact O-N 2.84Å; V253-A257 WeakPolarHBondContact O-CB 2.96Å; V253-A257 PolarHBondContact O-N 2.87Å; V253-F314 HydrophobicContact CG1-CD1 4.14Å; V253-F314 HydrophobicContact CG1-CE1 3.47Å; V253-F314 VanDerWaalsContact CG1-CE1 3.47Å; V253-F314 HydrophobicContact CG1-CE2 3.89Å; V253-F314 HydrophobicContact CG1-CZ 3.31Å; V253-Y517 HydrophobicContact CB-CD2 3.95Å; V253-Y517 HydrophobicContact CB-CE2 3.86Å; V253-Y517 HydrophobicContact CG2-CD2 4.43Å; V253-Y517 HydrophobicContact CG2-CE2 4.34Å; V253-M520 HydrophobicContact CB-CE 4.36Å; V253-M520 HydrophobicContact CG1-CE 4.06Å; V253-M520 HydrophobicContact CG1-SD 4.23Å; V253-M520 HydrophobicContact CG2-CB 4.09Å; V253-L524 HydrophobicContact CG2-CD1 4.22Å
254	W	98.9	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-38.7	174.5	55.2	83.7	0	0	0	112.4	V211 P252 M258 A264 T266 W269 I276 P281 F314	V211-W254 HydrophobicContact CB-CE3 4.46Å; V211-W254 HydrophobicContact CB-CZ3 3.89Å; V211-W254 HydrophobicContact CG1-CZ3 3.97Å; V211-W254 HydrophobicContact CG2-CH2 3.83Å; V211-W254 HydrophobicContact CG2-CZ3 3.64Å; P252-W254 HydrophobicContact CB-CD2 3.67Å; P252-W254 HydrophobicContact CB-CE3 3.9Å; P252-W254 HydrophobicContact CB-CG 4.43Å; P252-W254 HydrophobicContact CB-CH2 3.56Å; P252-W254 HydrophobicContact CB-CZ2 3.31Å; P252-W254 HydrophobicContact CB-CZ3 3.86Å; P252-W254 HydrophobicContact CG-CD2 3.96Å; P252-W254 HydrophobicContact CG-CG 4.42Å; P252-W254 HydrophobicContact CG-CH2 4.17Å; P252-W254 HydrophobicContact CG-CZ2 3.39Å; P252-W254 VanDerWaalsContact CG-NE1 3.34Å; P252-W254 PolarHBondContact O-N 3.36Å; W254-M258 WeakPolarHBondContact O-CB 3.27Å; W254-M258 WeakPolarHBondContact O-CG 3.42Å; W254-M258 PolarHBondContact O-N 3.15Å; W254-A264 HydrophobicContact CB-CB 3.48Å; W254-A264 VanDerWaalsContact CB-CB 3.48Å; W254-T266 HydrophobicContact CD2-CG2 4.48Å; W254-T266 HydrophobicContact CE3-CG2 4.28Å; W254-W269 AromaticContact CH2-CD1 3.86Å; W254-W269 HydrophobicContact CZ3-CB 4.4Å; W254-W269 AromaticContact CZ3-CD1 3.64Å; W254-W269 HydrophobicContact CZ3-CG 4.13Å; W254-I276 HydrophobicContact CZ2-CD1 4.04Å; W254-P281 HydrophobicContact CB-CB 4.48Å; W254-P281 HydrophobicContact CD2-CG 4.29Å; W254-P281 HydrophobicContact CG-CB 4.4Å; W254-P281 HydrophobicContact CG-CG 3.95Å; W254-F314 HydrophobicContact CB-CD1 4.17Å; W254-F314 HydrophobicContact CB-CE1 4.38Å; W254-F314 HydrophobicContact CE3-CE1 4.36Å
255	L	98.8	Very high	98.4	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-71.4	-36.6	174	-64.2	-172.8	0	0	0	111.2	E251 P252 V253 A257 M258 R259 I276 N277	E251-L255 HydrophobicContact CG-CB 3.84Å; P252-L255 HydrophobicContact CG-CB 4.46Å; P252-L255 HydrophobicContact CG-CD1 4.06Å; P252-L255 HydrophobicContact CG-CG 4Å; P252-L255 WeakPolarHBondContact O-CB 3.19Å; P252-L255 PolarHBondContact O-N 2.93Å; V253-L255 VanDerWaalsContact C-N 3.35Å; V253-L255 PolarHBondContact O-N 2.98Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.86Å; L255-M258 HydrophobicContact CD2-SD 4.37Å; L255-M258 PolarHBondContact O-N 3.18Å; L255-R259 PolarHBondContact O-N 2.97Å; L255-I276 HydrophobicContact CD1-CB 4.01Å; L255-I276 HydrophobicContact CD1-CG2 3.94Å; L255-I276 VanDerWaalsContact CD1-O 3.3Å; L255-I276 WeakPolarHBondContact CD1-O 3.42Å; L255-N277 HydrophobicContact CD1-CB 4.44Å
256	T	98.8	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-42.5	175.5	-49.9	0	0	0	0	112.2	E251 P252 V253 Q260 Y517 I526 R527	E251-T256 WeakPolarHBondContact OE1-CA 3.5Å; E251-T256 VanDerWaalsContact OE1-CB 3.24Å; E251-T256 WeakPolarHBondContact OE1-CB 3.42Å; E251-T256 PolarHBondContact OE1-N 2.96Å; E251-T256 VanDerWaalsContact OE1-N 3.08Å; E251-T256 PolarHBondContact OE1-OG1 2.97Å; P252-T256 PolarHBondContact O-N 3.05Å; P252-T256 PolarHBondContact O-OG1 3.1Å; V253-T256 WeakPolarHBondContact O-CB 3.44Å; V253-T256 PolarHBondContact O-N 2.84Å; T256-Q260 PolarHBondContact O-N 3.26Å; T256-Q260 PolarHBondContact O-NE2 3.32Å; T256-Q260 VanDerWaalsContact O-NE2 3.08Å; T256-Y517 PolarHBondContact OG1-OH 3.12Å; T256-I526 HydrophobicContact CG2-CD1 4.11Å; T256-R527 VanDerWaalsContact CG2-O 3.31Å; T256-R527 WeakPolarHBondContact CG2-O 3.39Å
257	A	98.7	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-47.7	173.8	0	0	0	0	0	111	V253 L255 R259 Q260 K261 L262 L524 I526	V253-A257 WeakPolarHBondContact O-CB 2.96Å; V253-A257 PolarHBondContact O-N 2.87Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.86Å; A257-R259 PolarHBondContact O-N 3.47Å; A257-Q260 CarbonylContact O-C 3.6Å; A257-Q260 VanDerWaalsContact O-C 3.26Å; A257-Q260 WeakPolarHBondContact O-CA 3.47Å; A257-Q260 PolarHBondContact O-N 3.15Å; A257-K261 PolarHBondContact O-N 3.1Å; A257-L262 HydrophobicContact CB-CB 3.96Å; A257-L262 HydrophobicContact CB-CD1 4.33Å; A257-L262 WeakPolarHBondContact O-CB 3.35Å; A257-L262 PolarHBondContact O-N 2.81Å; A257-L524 HydrophobicContact CB-CD1 4.47Å; A257-I526 HydrophobicContact CB-CD1 4Å
258	M	98.7	Very high	98.6	Very high	56 Å²	56	32.7 Å²	32.7	28%	0.276	16%	0.156	S	C	.	.	H	α-helix	trans	-62.3	-41.9	-179.2	-74.6	171.3	56.9	0	0	113.7	W254 L255 Q260 K261 L262 A264 F280	W254-M258 WeakPolarHBondContact O-CB 3.27Å; W254-M258 WeakPolarHBondContact O-CG 3.42Å; W254-M258 PolarHBondContact O-N 3.15Å; L255-M258 HydrophobicContact CD2-SD 4.37Å; L255-M258 PolarHBondContact O-N 3.18Å; M258-Q260 PolarHBondContact O-N 3.36Å; M258-K261 PolarHBondContact O-N 2.83Å; M258-L262 VanDerWaalsContact CA-O 3.3Å; M258-L262 WeakPolarHBondContact CA-O 3.22Å; M258-A264 HydrophobicContact CG-CB 4.48Å; M258-A264 HydrophobicContact SD-CB 4.43Å; M258-F280 VanDerWaalsContact CE-O 3.23Å; M258-F280 WeakPolarHBondContact CE-O 3.36Å
259	R	98.3	Very high	98.6	Very high	141 Å²	141	32.5 Å²	32.5	53%	0.532	16%	0.155	S	C	.	.	H	α-helix	trans	-61.9	-27.4	174.9	110.8	174.1	96.1	-168.3	21.5	112	E251 L255 A257 K261 S529	E251-R259 IonicContact OE1-CZ 3.3Å; E251-R259 IonicContact OE1-NE 2.8Å; E251-R259 PolarHBondContact OE1-NE 3.36Å; E251-R259 IonicContact OE1-NH1 3.16Å; E251-R259 IonicContact OE1-NH2 2.7Å; E251-R259 PolarHBondContact OE1-NH2 3.19Å; E251-R259 IonicContact OE2-CZ 2.7Å; E251-R259 IonicContact OE2-NE 3.15Å; E251-R259 IonicContact OE2-NH1 3.52Å; E251-R259 PolarHBondContact OE2-NH1 3.1Å; E251-R259 IonicContact OE2-NH2 3.35Å; E251-R259 PolarHBondContact OE2-NH2 2.96Å; L255-R259 PolarHBondContact O-N 2.97Å; A257-R259 PolarHBondContact O-N 3.47Å; R259-K261 VanDerWaalsContact C-N 3.31Å; R259-S529 PolarHBondContact NH2-OG 3.31Å
260	Q	98.4	Very high	98.6	Very high	61 Å²	61	30.2 Å²	30.2	29%	0.285	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	24.7	178.6	-72.7	172.4	96.3	0	0	112.4	T256 A257 M258 L262 I526 R527	T256-Q260 PolarHBondContact O-N 3.26Å; T256-Q260 PolarHBondContact O-NE2 3.32Å; T256-Q260 VanDerWaalsContact O-NE2 3.08Å; A257-Q260 CarbonylContact O-C 3.6Å; A257-Q260 VanDerWaalsContact O-C 3.26Å; A257-Q260 WeakPolarHBondContact O-CA 3.47Å; A257-Q260 PolarHBondContact O-N 3.15Å; M258-Q260 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.28Å; Q260-L262 PolarHBondContact O-N 2.84Å; Q260-I526 HydrophobicContact CB-CB 4.47Å; Q260-I526 HydrophobicContact CB-CG2 4.05Å; Q260-R527 PolarHBondContact NE2-O 2.88Å
261	K	97.7	Very high	98.6	Very high	192 Å²	192	28 Å²	28	84%	0.835	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	18	171.5	-50.7	177.1	-179.4	177.2	0	115.2	A257 M258 R259	A257-K261 PolarHBondContact O-N 3.1Å; M258-K261 PolarHBondContact O-N 2.83Å; R259-K261 VanDerWaalsContact C-N 3.31Å
262	L	98.3	Very high	98.6	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.058	12%	0.117	C	C	.	.			trans	-93.2	164.3	170.3	-55.8	-176	0	0	0	111	A257 M258 Q260 D313 L524 I526	A257-L262 HydrophobicContact CB-CB 3.96Å; A257-L262 HydrophobicContact CB-CD1 4.33Å; A257-L262 WeakPolarHBondContact O-CB 3.35Å; A257-L262 PolarHBondContact O-N 2.81Å; M258-L262 VanDerWaalsContact CA-O 3.3Å; M258-L262 WeakPolarHBondContact CA-O 3.22Å; Q260-L262 VanDerWaalsContact C-N 3.28Å; Q260-L262 PolarHBondContact O-N 2.84Å; L262-D313 VanDerWaalsContact CA-OD2 3.31Å; L262-D313 WeakPolarHBondContact CA-OD2 3.17Å; L262-D313 HydrophobicContact CB-CB 4.09Å; L262-D313 WeakPolarHBondContact CB-OD2 3.15Å; L262-D313 HydrophobicContact CD1-CB 4.37Å; L262-D313 HydrophobicContact CD2-CB 4.4Å; L262-L524 HydrophobicContact CD1-CB 4.25Å; L262-L524 HydrophobicContact CD1-CD2 4.41Å; L262-I526 HydrophobicContact CD1-CG2 3.49Å; L262-I526 VanDerWaalsContact CD1-CG2 3.49Å; L262-I526 HydrophobicContact CG-CG2 4.34Å
263	K	98.6	Very high	98.6	Very high	62 Å²	62	27.1 Å²	27.1	27%	0.27	12%	0.119	S	C	.	.			trans	-109.2	150.2	176.1	-72.5	-178.8	-171.5	77.5	0	111.4	T282 K309 E310 P312 D313 F314	K263-T282 HydrophobicContact CB-CG2 4.25Å; K263-T282 HydrophobicContact CD-CG2 4.08Å; K263-T282 HydrophobicContact CG-CG2 4Å; K263-K309 WeakPolarHBondContact CE-O 3.43Å; K263-K309 PolarHBondContact NZ-O 2.92Å; K263-E310 WeakPolarHBondContact CD-O 3.25Å; K263-P312 HydrophobicContact CB-CB 4.35Å; K263-D313 PolarHBondContact N-OD2 3.44Å; K263-D313 PolarHBondContact O-N 3.28Å; K263-F314 PolarHBondContact O-N 3.07Å; K263-F314 VanDerWaalsContact O-N 3.11Å
264	A	98.8	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.6	-178.7	0	0	0	0	0	111.8	W254 M258 P281 T282 L283 F314	W254-A264 HydrophobicContact CB-CB 3.48Å; W254-A264 VanDerWaalsContact CB-CB 3.48Å; M258-A264 HydrophobicContact CG-CB 4.48Å; M258-A264 HydrophobicContact SD-CB 4.43Å; A264-P281 HydrophobicContact CB-CB 4.35Å; A264-T282 PolarHBondContact N-OG1 3.4Å; A264-T282 VanDerWaalsContact N-OG1 3.14Å; A264-T282 WeakPolarHBondContact O-CA 3.47Å; A264-T282 VanDerWaalsContact O-CB 3.28Å; A264-T282 WeakPolarHBondContact O-CB 3.44Å; A264-T282 PolarHBondContact O-N 3.49Å; A264-T282 VanDerWaalsContact O-N 3.08Å; A264-L283 PolarHBondContact O-N 3.45Å; A264-F314 CarbonylContact C-O 3.53Å; A264-F314 VanDerWaalsContact CA-O 3.3Å; A264-F314 WeakPolarHBondContact CA-O 3.33Å; A264-F314 HydrophobicContact CB-CD1 4.26Å
265	G	98.8	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.5	178.7	0	0	0	0	0	111.8	L283 W303 F314 Y315 T316	G265-L283 CarbonylContact C-O 3.58Å; G265-L283 VanDerWaalsContact CA-O 3.31Å; G265-L283 WeakPolarHBondContact CA-O 3.41Å; G265-W303 VanDerWaalsContact C-CZ3 3.43Å; G265-F314 PolarHBondContact N-O 2.87Å; G265-Y315 CarbonylContact O-C 3.54Å; G265-Y315 WeakPolarHBondContact O-CA 3.44Å; G265-T316 PolarHBondContact O-N 2.81Å
266	T	98.9	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.2	-173.8	57.8	0	0	0	0	111.6	W254 F268 S272 P281 L283 Y284 R285 T316	W254-T266 HydrophobicContact CD2-CG2 4.48Å; W254-T266 HydrophobicContact CE3-CG2 4.28Å; T266-F268 PolarHBondContact O-N 3.47Å; T266-S272 WeakPolarHBondContact OG1-CB 3.45Å; T266-P281 HydrophobicContact CG2-CB 3.88Å; T266-P281 HydrophobicContact CG2-CG 3.77Å; T266-P281 WeakPolarHBondContact OG1-CG 3.27Å; T266-L283 PolarHBondContact N-O 2.87Å; T266-L283 PolarHBondContact OG1-O 3.45Å; T266-Y284 WeakPolarHBondContact O-CA 3.36Å; T266-Y284 VanDerWaalsContact OG1-CB 3.29Å; T266-Y284 WeakPolarHBondContact OG1-CB 3.5Å; T266-R285 PolarHBondContact O-N 3.08Å; T266-T316 WeakPolarHBondContact CA-OG1 3.37Å; T266-T316 VanDerWaalsContact CB-OG1 3.3Å; T266-T316 WeakPolarHBondContact CB-OG1 3.29Å; T266-T316 HydrophobicContact CG2-CG2 4.03Å
267	F	98.8	Very high	98.4	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	84.3	168.8	-153.1	-61.3	0	0	0	109.2	R285 I291 R296 T299 V300 W303 T316 Y318	F267-R285 HydrophobicContact CD2-CG 3.95Å; F267-R285 HydrophobicContact CE2-CG 3.82Å; F267-R285 HydrophobicContact CG-CG 4.39Å; F267-R285 HydrophobicContact CZ-CG 4.13Å; F267-I291 HydrophobicContact CE1-CG2 4.41Å; F267-I291 HydrophobicContact CZ-CD1 4.3Å; F267-I291 HydrophobicContact CZ-CG2 4.07Å; F267-R296 HydrophobicContact CD1-CB 3.65Å; F267-R296 HydrophobicContact CD1-CG 3.79Å; F267-R296 HydrophobicContact CD2-CB 4.38Å; F267-R296 HydrophobicContact CE1-CB 3.59Å; F267-R296 HydrophobicContact CE1-CG 3.32Å; F267-R296 HydrophobicContact CE2-CB 4.3Å; F267-R296 HydrophobicContact CG-CB 4.08Å; F267-R296 HydrophobicContact CZ-CB 3.93Å; F267-R296 HydrophobicContact CZ-CG 3.83Å; F267-T299 HydrophobicContact CD2-CG2 3.64Å; F267-T299 VanDerWaalsContact CE2-CB 3.41Å; F267-T299 HydrophobicContact CE2-CG2 3.63Å; F267-T299 WeakPolarHBondContact CE2-OG1 3.4Å; F267-V300 HydrophobicContact CB-CG2 4.06Å; F267-W303 HydrophobicContact CB-CH2 4.03Å; F267-W303 HydrophobicContact CB-CZ3 3.96Å; F267-W303 HydrophobicContact CD2-CH2 4.02Å; F267-W303 HydrophobicContact CD2-CZ2 4.48Å; F267-W303 HydrophobicContact CD2-CZ3 4.48Å; F267-W303 HydrophobicContact CG-CH2 4.46Å; F267-T316 WeakPolarHBondContact CA-O 3.42Å; F267-T316 WeakPolarHBondContact CB-O 3.49Å; F267-T316 PolarHBondContact N-O 2.86Å; F267-Y318 PolarHBondContact O-N 2.92Å
268	F	98.8	Very high	98.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	20%	0.195	C	C	.	.	S	Bend	trans	64.2	128.1	-173	-54.1	-15.3	0	0	0	113.1	T266 R285 M286 Y287 D288 I291 T316 Y318	T266-F268 PolarHBondContact O-N 3.47Å; F268-R285 HydrophobicContact CD1-CB 3.92Å; F268-R285 HydrophobicContact CE1-CB 3.72Å; F268-M286 WeakPolarHBondContact CE1-O 3.39Å; F268-Y287 HydrophobicContact CB-CD2 4.43Å; F268-Y287 HydrophobicContact CD1-CD2 4.46Å; F268-Y287 AromaticContact CD2-CD2 3.85Å; F268-Y287 HydrophobicContact CD2-CD2 3.85Å; F268-Y287 HydrophobicContact CD2-CE2 4.2Å; F268-Y287 HydrophobicContact CE2-CD2 4.15Å; F268-Y287 HydrophobicContact CE2-CE2 4.48Å; F268-Y287 HydrophobicContact CG-CD2 4.02Å; F268-D288 WeakPolarHBondContact CE2-O 3.44Å; F268-D288 HydrophobicContact CZ-CB 4.42Å; F268-D288 WeakPolarHBondContact CZ-O 3.18Å; F268-I291 HydrophobicContact CZ-CB 4.42Å; F268-I291 HydrophobicContact CZ-CD1 3.91Å; F268-I291 HydrophobicContact CZ-CG1 4.4Å; F268-T316 PolarHBondContact O-OG1 3.09Å; F268-Y318 HydrophobicContact CB-CD1 4.05Å; F268-Y318 HydrophobicContact CB-CG 4.42Å; F268-Y318 HydrophobicContact CD2-CD1 4.39Å; F268-Y318 WeakPolarHBondContact O-CB 3.4Å
269	W	98.8	Very high	98.3	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.027	20%	0.2	C	C	.	.			trans	-166	139.5	165.4	-159.3	-89.8	0	0	0	107.8	L161 H207 I210 V211 W254 G271 S272 T316 V368	L161-W269 HydrophobicContact CD1-CH2 4.22Å; L161-W269 HydrophobicContact CD2-CE3 4.36Å; L161-W269 HydrophobicContact CD2-CH2 3.21Å; L161-W269 HydrophobicContact CD2-CZ2 3.52Å; L161-W269 HydrophobicContact CD2-CZ3 3.67Å; L161-W269 HydrophobicContact CG-CH2 3.51Å; L161-W269 HydrophobicContact CG-CZ2 4.33Å; L161-W269 HydrophobicContact CG-CZ3 3.73Å; H207-W269 HydrophobicContact CB-CZ2 4.4Å; H207-W269 AromaticContact CD2-CE2 3.84Å; H207-W269 AromaticContact CD2-CH2 3.9Å; H207-W269 AromaticContact CD2-CZ2 3.7Å; H207-W269 PolarHBondContact O-NE1 2.9Å; I210-W269 HydrophobicContact CB-CZ2 4.22Å; I210-W269 HydrophobicContact CG2-CH2 4.39Å; I210-W269 HydrophobicContact CG2-CZ2 3.89Å; V211-W269 HydrophobicContact CG1-CD2 4.35Å; V211-W269 VanDerWaalsContact CG1-CE2 3.48Å; V211-W269 HydrophobicContact CG1-CZ2 3.74Å; W254-W269 AromaticContact CH2-CD1 3.86Å; W254-W269 HydrophobicContact CZ3-CB 4.4Å; W254-W269 AromaticContact CZ3-CD1 3.64Å; W254-W269 HydrophobicContact CZ3-CG 4.13Å; W269-G271 PolarHBondContact O-N 2.74Å; W269-G271 VanDerWaalsContact O-N 3.12Å; W269-S272 PolarHBondContact N-OG 2.76Å; W269-S272 VanDerWaalsContact N-OG 3.1Å; W269-S272 WeakPolarHBondContact O-CB 3.14Å; W269-S272 PolarHBondContact O-N 2.86Å; W269-S272 PolarHBondContact O-OG 3.21Å; W269-T316 HydrophobicContact CB-CG2 4.44Å; W269-T316 HydrophobicContact CD2-CG2 4.16Å; W269-T316 HydrophobicContact CE3-CG2 3.92Å; W269-T316 HydrophobicContact CG-CG2 4.41Å; W269-V368 HydrophobicContact CH2-CG2 4.41Å
270	P	98.5	Very high	98.3	Very high	10 Å²	10	34.4 Å²	34.4	7%	0.065	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	119	172.4	-33.4	41.1	0	0	0	112.6	F204 H207 Y208	F204-P270 HydrophobicContact CD1-CB 3.99Å; F204-P270 HydrophobicContact CD2-CB 3.97Å; F204-P270 HydrophobicContact CD2-CG 3.87Å; F204-P270 HydrophobicContact CE1-CB 4.04Å; F204-P270 HydrophobicContact CE2-CB 4.01Å; F204-P270 HydrophobicContact CE2-CG 3.83Å; F204-P270 HydrophobicContact CG-CB 3.94Å; F204-P270 HydrophobicContact CG-CG 4.33Å; F204-P270 HydrophobicContact CZ-CB 4.03Å; F204-P270 HydrophobicContact CZ-CG 4.28Å; H207-P270 HydrophobicContact CB-CB 4Å; H207-P270 HydrophobicContact CB-CG 3.52Å; Y208-P270 WeakPolarHBondContact CD2-O 3.38Å
271	G	98.3	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-12.4	-177.1	0	0	0	0	0	115.4	W269 D273 V274 I276	W269-G271 PolarHBondContact O-N 2.74Å; W269-G271 VanDerWaalsContact O-N 3.12Å; G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 3.47Å; G271-V274 PolarHBondContact O-N 2.91Å; G271-I276 VanDerWaalsContact O-CD1 3.24Å; G271-I276 WeakPolarHBondContact O-CD1 3.27Å
272	S	98.6	Very high	98.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25	178.1	62.9	0	0	0	0	113.9	T266 W269 V274 P281	T266-S272 WeakPolarHBondContact OG1-CB 3.45Å; W269-S272 PolarHBondContact N-OG 2.76Å; W269-S272 VanDerWaalsContact N-OG 3.1Å; W269-S272 WeakPolarHBondContact O-CB 3.14Å; W269-S272 PolarHBondContact O-N 2.86Å; W269-S272 PolarHBondContact O-OG 3.21Å; S272-V274 VanDerWaalsContact C-N 3.29Å; S272-P281 WeakPolarHBondContact O-CD 3.27Å
273	D	98.3	Very high	98.4	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	24.5	175.1	57	-2.3	0	0	0	112.5	K242 F243 G271 Y284 M286 Y287	K242-D273 WeakPolarHBondContact CE-OD1 3.2Å; K242-D273 VanDerWaalsContact NZ-CG 3.35Å; K242-D273 IonicContact NZ-OD1 3.72Å; K242-D273 PolarHBondContact NZ-OD1 3.33Å; K242-D273 IonicContact NZ-OD2 3.78Å; K242-D273 PolarHBondContact NZ-OD2 3.43Å; F243-D273 WeakPolarHBondContact CD1-O 3.15Å; F243-D273 HydrophobicContact CE1-CB 4.39Å; G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 3.47Å; D273-Y284 HydrophobicContact CB-CD2 4.38Å; D273-M286 HydrophobicContact CB-CE 4.4Å; D273-M286 HydrophobicContact CB-SD 3.85Å; D273-Y287 PolarHBondContact OD2-N 2.75Å
274	V	98.6	Very high	98.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-127.3	137.8	180	-174.4	0	0	0	0	110.2	K242 Y248 G271 S272 I276 F280	K242-V274 WeakPolarHBondContact O-CG2 3.27Å; Y248-V274 HydrophobicContact CD2-CB 4.48Å; Y248-V274 HydrophobicContact CD2-CG1 3.8Å; Y248-V274 HydrophobicContact CD2-CG2 4.47Å; Y248-V274 HydrophobicContact CE1-CG2 4.48Å; Y248-V274 HydrophobicContact CE2-CB 4.35Å; Y248-V274 HydrophobicContact CE2-CG1 3.92Å; Y248-V274 HydrophobicContact CE2-CG2 3.86Å; Y248-V274 HydrophobicContact CG-CG1 4.46Å; G271-V274 PolarHBondContact O-N 2.91Å; S272-V274 VanDerWaalsContact C-N 3.29Å; V274-I276 HydrophobicContact CB-CD1 4.5Å; V274-I276 HydrophobicContact CB-CG1 4.14Å; V274-I276 HydrophobicContact CG1-CG1 4.09Å; V274-I276 PolarHBondContact O-N 3.26Å; V274-F280 VanDerWaalsContact C-CE1 3.41Å
275	A	98.3	Very high	98.3	Very high	28 Å²	28	32.3 Å²	32.3	23%	0.231	18%	0.183	C	C	.	.			trans	-75.4	66.3	176.8	0	0	0	0	0	112	S245 N277 G278 S279 F280	S245-A275 WeakPolarHBondContact CB-O 3.43Å; A275-N277 PolarHBondContact O-N 3.44Å; A275-G278 PolarHBondContact O-N 3.12Å; A275-G278 VanDerWaalsContact O-N 3.14Å; A275-S279 CarbonylContact C-O 3.46Å; A275-S279 WeakPolarHBondContact CA-O 3.41Å; A275-F280 HydrophobicContact CB-CD2 4.21Å; A275-F280 HydrophobicContact CB-CE1 4.27Å; A275-F280 HydrophobicContact CB-CE2 3.62Å; A275-F280 HydrophobicContact CB-CZ 3.66Å
276	I	98.4	Very high	98.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-68.3	128.8	-179.3	-61.5	160.4	0	0	0	108.7	Y208 Y248 P252 W254 L255 G271 V274 G278 S279	Y208-I276 HydrophobicContact CE2-CD1 3.84Å; Y208-I276 WeakPolarHBondContact OH-CD1 3.46Å; Y248-I276 HydrophobicContact CD1-CD1 4.29Å; Y248-I276 HydrophobicContact CG-CD1 4.34Å; Y248-I276 HydrophobicContact CG-CG1 4.21Å; P252-I276 HydrophobicContact CG-CD1 4.01Å; P252-I276 HydrophobicContact CG-CG2 4.45Å; W254-I276 HydrophobicContact CZ2-CD1 4.04Å; L255-I276 HydrophobicContact CD1-CB 4.01Å; L255-I276 HydrophobicContact CD1-CG2 3.94Å; L255-I276 VanDerWaalsContact CD1-O 3.3Å; L255-I276 WeakPolarHBondContact CD1-O 3.42Å; G271-I276 VanDerWaalsContact O-CD1 3.24Å; G271-I276 WeakPolarHBondContact O-CD1 3.27Å; V274-I276 HydrophobicContact CB-CD1 4.5Å; V274-I276 HydrophobicContact CB-CG1 4.14Å; V274-I276 HydrophobicContact CG1-CG1 4.09Å; V274-I276 PolarHBondContact O-N 3.26Å; I276-G278 PolarHBondContact O-N 3.36Å; I276-G278 VanDerWaalsContact O-N 3.14Å; I276-S279 PolarHBondContact N-O 2.98Å; I276-S279 VanDerWaalsContact N-O 3.17Å; I276-S279 PolarHBondContact O-N 2.8Å; I276-S279 VanDerWaalsContact O-O 3.12Å
277	N	94.8	Very high	98.2	Very high	142 Å²	142	41.9 Å²	41.9	76%	0.759	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.7	-171.6	-155.9	17.5	0	0	0	112.9	L255 A275 S279	L255-N277 HydrophobicContact CD1-CB 4.44Å; A275-N277 PolarHBondContact O-N 3.44Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 PolarHBondContact O-N 3.14Å
278	G	97.1	Very high	98.2	Very high	66 Å²	66	44.9 Å²	44.9	68%	0.68	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	7.8	-179.8	0	0	0	0	0	115.5	A275 I276	A275-G278 PolarHBondContact O-N 3.12Å; A275-G278 VanDerWaalsContact O-N 3.14Å; I276-G278 PolarHBondContact O-N 3.36Å; I276-G278 VanDerWaalsContact O-N 3.14Å
279	S	98.2	Very high	98	Very high	54 Å²	54	51.6 Å²	51.6	38%	0.378	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-130.5	146	-173.5	-61.7	0	0	0	0	112.9	A275 I276 N277	A275-S279 CarbonylContact C-O 3.46Å; A275-S279 WeakPolarHBondContact CA-O 3.41Å; I276-S279 PolarHBondContact N-O 2.98Å; I276-S279 VanDerWaalsContact N-O 3.17Å; I276-S279 PolarHBondContact O-N 2.8Å; I276-S279 VanDerWaalsContact O-O 3.12Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 PolarHBondContact O-N 3.14Å
280	F	98.7	Very high	97.9	Very high	73 Å²	73	57 Å²	57	32%	0.32	30%	0.3	S	S	.	.			trans	-102	163	169.8	-69.4	-83.8	0	0	0	110.5	M258 V274 A275 Y284	M258-F280 VanDerWaalsContact CE-O 3.23Å; M258-F280 WeakPolarHBondContact CE-O 3.36Å; V274-F280 VanDerWaalsContact C-CE1 3.41Å; A275-F280 HydrophobicContact CB-CD2 4.21Å; A275-F280 HydrophobicContact CB-CE1 4.27Å; A275-F280 HydrophobicContact CB-CE2 3.62Å; A275-F280 HydrophobicContact CB-CZ 3.66Å; F280-Y284 HydrophobicContact CB-CD1 3.9Å; F280-Y284 HydrophobicContact CB-CE1 3.74Å; F280-Y284 HydrophobicContact CD1-CD1 4.35Å; F280-Y284 HydrophobicContact CD1-CD2 4.36Å; F280-Y284 AromaticContact CD1-CE1 3.93Å; F280-Y284 HydrophobicContact CD1-CE1 3.93Å; F280-Y284 AromaticContact CD1-CE2 3.92Å; F280-Y284 HydrophobicContact CD1-CE2 3.92Å; F280-Y284 AromaticContact CD1-CZ 3.69Å; F280-Y284 HydrophobicContact CD2-CE1 4.45Å; F280-Y284 HydrophobicContact CE1-CE2 4.12Å; F280-Y284 HydrophobicContact CG-CD1 4.34Å; F280-Y284 AromaticContact CG-CE1 3.81Å; F280-Y284 HydrophobicContact CG-CE1 3.81Å; F280-Y284 AromaticContact CG-CZ 3.95Å
281	P	98.7	Very high	97.9	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.026	31%	0.308	C	S	.	.			trans	-52.9	152.7	162.1	-19.4	30.3	0	0	0	111.5	W254 A264 T266 S272 L283	W254-P281 HydrophobicContact CB-CB 4.48Å; W254-P281 HydrophobicContact CD2-CG 4.29Å; W254-P281 HydrophobicContact CG-CB 4.4Å; W254-P281 HydrophobicContact CG-CG 3.95Å; A264-P281 HydrophobicContact CB-CB 4.35Å; T266-P281 HydrophobicContact CG2-CB 3.88Å; T266-P281 HydrophobicContact CG2-CG 3.77Å; T266-P281 WeakPolarHBondContact OG1-CG 3.27Å; S272-P281 WeakPolarHBondContact O-CD 3.27Å; P281-L283 PolarHBondContact O-N 2.92Å
282	T	98.6	Very high	97.9	Very high	60 Å²	60	65.4 Å²	65.4	37%	0.368	34%	0.337	S	S	.	.	S	Bend	trans	-53.9	-44.2	-179.6	-47.3	0	0	0	0	112.1	K263 A264	K263-T282 HydrophobicContact CB-CG2 4.25Å; K263-T282 HydrophobicContact CD-CG2 4.08Å; K263-T282 HydrophobicContact CG-CG2 4Å; A264-T282 PolarHBondContact N-OG1 3.4Å; A264-T282 VanDerWaalsContact N-OG1 3.14Å; A264-T282 WeakPolarHBondContact O-CA 3.47Å; A264-T282 VanDerWaalsContact O-CB 3.28Å; A264-T282 WeakPolarHBondContact O-CB 3.44Å; A264-T282 PolarHBondContact O-N 3.49Å; A264-T282 VanDerWaalsContact O-N 3.08Å
283	L	98.8	Very high	97.9	Very high	48 Å²	48	66.7 Å²	66.7	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.1	170.1	-56.4	174.1	0	0	0	107.6	A264 G265 T266 P281 W303 L306 P312	A264-L283 PolarHBondContact O-N 3.45Å; G265-L283 CarbonylContact C-O 3.58Å; G265-L283 VanDerWaalsContact CA-O 3.31Å; G265-L283 WeakPolarHBondContact CA-O 3.41Å; T266-L283 PolarHBondContact N-O 2.87Å; T266-L283 PolarHBondContact OG1-O 3.45Å; P281-L283 PolarHBondContact O-N 2.92Å; L283-W303 HydrophobicContact CB-CZ2 4.17Å; L283-W303 HydrophobicContact CD1-CB 4.46Å; L283-W303 HydrophobicContact CD1-CD2 4.11Å; L283-W303 HydrophobicContact CD1-CG 3.85Å; L283-L306 HydrophobicContact CD1-CD1 3.8Å; L283-P312 HydrophobicContact CD1-CG 3.88Å
284	Y	98.7	Very high	97.9	Very high	79 Å²	79	69.2 Å²	69.2	31%	0.31	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	169	175.3	71.9	-78.6	0	0	0	111.1	T266 D273 F280 M286	T266-Y284 WeakPolarHBondContact O-CA 3.36Å; T266-Y284 VanDerWaalsContact OG1-CB 3.29Å; T266-Y284 WeakPolarHBondContact OG1-CB 3.5Å; D273-Y284 HydrophobicContact CB-CD2 4.38Å; F280-Y284 HydrophobicContact CB-CD1 3.9Å; F280-Y284 HydrophobicContact CB-CE1 3.74Å; F280-Y284 HydrophobicContact CD1-CD1 4.35Å; F280-Y284 HydrophobicContact CD1-CD2 4.36Å; F280-Y284 AromaticContact CD1-CE1 3.93Å; F280-Y284 HydrophobicContact CD1-CE1 3.93Å; F280-Y284 AromaticContact CD1-CE2 3.92Å; F280-Y284 HydrophobicContact CD1-CE2 3.92Å; F280-Y284 AromaticContact CD1-CZ 3.69Å; F280-Y284 HydrophobicContact CD2-CE1 4.45Å; F280-Y284 HydrophobicContact CE1-CE2 4.12Å; F280-Y284 HydrophobicContact CG-CD1 4.34Å; F280-Y284 AromaticContact CG-CE1 3.81Å; F280-Y284 HydrophobicContact CG-CE1 3.81Å; F280-Y284 AromaticContact CG-CZ 3.95Å; Y284-M286 HydrophobicContact CE2-SD 3.93Å
285	R	98.5	Very high	97.9	Very high	92 Å²	92	72.7 Å²	72.7	35%	0.347	37%	0.373	S	S	.	.			trans	-129.8	133.6	173.3	-67.5	-68.6	-178.1	-99.9	5.8	109.4	T266 F267 F268 Y287 W303	T266-R285 PolarHBondContact O-N 3.08Å; F267-R285 HydrophobicContact CD2-CG 3.95Å; F267-R285 HydrophobicContact CE2-CG 3.82Å; F267-R285 HydrophobicContact CG-CG 4.39Å; F267-R285 HydrophobicContact CZ-CG 4.13Å; F268-R285 HydrophobicContact CD1-CB 3.92Å; F268-R285 HydrophobicContact CE1-CB 3.72Å; R285-Y287 PolarHBondContact O-N 2.93Å; R285-W303 HydrophobicContact CG-CH2 4.25Å; R285-W303 HydrophobicContact CG-CZ2 4.27Å
286	M	97.9	Very high	97.9	Very high	99 Å²	99	71.4 Å²	71.4	49%	0.488	36%	0.362	S	S	.	.			trans	-62.5	132.9	168.4	-64.7	-59.4	-66.6	0	0	108.9	F243 F268 D273 Y284 D288	F243-M286 HydrophobicContact CD1-CE 4.14Å; F243-M286 HydrophobicContact CE1-CE 3.44Å; F243-M286 VanDerWaalsContact CE1-CE 3.44Å; F243-M286 HydrophobicContact CE2-CE 4.45Å; F243-M286 HydrophobicContact CZ-CE 3.62Å; F268-M286 WeakPolarHBondContact CE1-O 3.39Å; D273-M286 HydrophobicContact CB-CE 4.4Å; D273-M286 HydrophobicContact CB-SD 3.85Å; Y284-M286 HydrophobicContact CE2-SD 3.93Å; M286-D288 PolarHBondContact O-N 2.82Å
287	Y	97.8	Very high	97.9	Very high	102 Å²	102	71.5 Å²	71.5	40%	0.4	36%	0.363	S	S	.	.			trans	-58.6	121.8	-178.1	177.6	-106.1	0	0	0	112.2	F268 D273 R285 K289 Y318 E320	F268-Y287 HydrophobicContact CB-CD2 4.43Å; F268-Y287 HydrophobicContact CD1-CD2 4.46Å; F268-Y287 AromaticContact CD2-CD2 3.85Å; F268-Y287 HydrophobicContact CD2-CD2 3.85Å; F268-Y287 HydrophobicContact CD2-CE2 4.2Å; F268-Y287 HydrophobicContact CE2-CD2 4.15Å; F268-Y287 HydrophobicContact CE2-CE2 4.48Å; F268-Y287 HydrophobicContact CG-CD2 4.02Å; D273-Y287 PolarHBondContact OD2-N 2.75Å; R285-Y287 PolarHBondContact O-N 2.93Å; Y287-K289 HydrophobicContact CE1-CB 4.33Å; Y287-Y318 HydrophobicContact CE2-CD1 4.48Å; Y287-Y318 AromaticContact CE2-CE1 3.99Å; Y287-Y318 HydrophobicContact CE2-CE1 3.99Å; Y287-E320 VanDerWaalsContact CE2-OE1 3.27Å; Y287-E320 WeakPolarHBondContact CE2-OE1 3.28Å; Y287-E320 PolarHBondContact OH-OE1 3.29Å
288	D	96.9	Very high	98.1	Very high	65 Å²	65	70 Å²	70	35%	0.348	35%	0.351	S	S	.	.			trans	-140.9	104.6	170.5	179.1	8	0	0	0	109.6	F268 M286 N290 I291	F268-D288 WeakPolarHBondContact CE2-O 3.44Å; F268-D288 HydrophobicContact CZ-CB 4.42Å; F268-D288 WeakPolarHBondContact CZ-O 3.18Å; M286-D288 PolarHBondContact O-N 2.82Å; D288-N290 PolarHBondContact O-N 3.43Å; D288-N290 WeakPolarHBondContact OD1-CB 3.49Å; D288-N290 PolarHBondContact OD1-N 3.26Å; D288-N290 PolarHBondContact OD1-ND2 3.02Å; D288-I291 HydrophobicContact CB-CD1 4.18Å; D288-I291 HydrophobicContact CB-CG1 4.05Å; D288-I291 PolarHBondContact O-N 2.89Å; D288-I291 VanDerWaalsContact O-N 3.13Å
289	K	94.9	Very high	98.1	Very high	143 Å²	143	67.8 Å²	67.8	62%	0.622	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20	179.5	69	172.9	-172.6	166.7	0	114	Y287 I291	Y287-K289 HydrophobicContact CE1-CB 4.33Å; K289-I291 VanDerWaalsContact C-N 3.28Å
290	N	97.4	Very high	98.1	Very high	120 Å²	120	65.2 Å²	65.2	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.5	-177.1	-53.8	-61.3	0	0	0	112.5	D288 K292	D288-N290 PolarHBondContact O-N 3.43Å; D288-N290 WeakPolarHBondContact OD1-CB 3.49Å; D288-N290 PolarHBondContact OD1-N 3.26Å; D288-N290 PolarHBondContact OD1-ND2 3.02Å; N290-K292 PolarHBondContact O-N 2.98Å
291	I	98.3	Very high	98.1	Very high	47 Å²	47	62.6 Å²	62.6	24%	0.241	30%	0.295	C	S	.	.	S	Bend	trans	-70.4	116.9	173	-56.3	-174.5	0	0	0	108.7	F267 F268 D288 K289 N295 R296	F267-I291 HydrophobicContact CE1-CG2 4.41Å; F267-I291 HydrophobicContact CZ-CD1 4.3Å; F267-I291 HydrophobicContact CZ-CG2 4.07Å; F268-I291 HydrophobicContact CZ-CB 4.42Å; F268-I291 HydrophobicContact CZ-CD1 3.91Å; F268-I291 HydrophobicContact CZ-CG1 4.4Å; D288-I291 HydrophobicContact CB-CD1 4.18Å; D288-I291 HydrophobicContact CB-CG1 4.05Å; D288-I291 PolarHBondContact O-N 2.89Å; D288-I291 VanDerWaalsContact O-N 3.13Å; K289-I291 VanDerWaalsContact C-N 3.28Å; I291-N295 HydrophobicContact CG2-CB 3.98Å; I291-R296 HydrophobicContact CG2-CG 3.95Å; I291-R296 PolarHBondContact O-NE 3.4Å; I291-R296 PolarHBondContact O-NH2 3.18Å
292	K	98.3	Very high	98.1	Very high	141 Å²	141	67.9 Å²	67.9	61%	0.613	32%	0.319	S	S	*	.			trans	-60	145.8	178	-62.1	-175.7	179.3	-179.2	0	111.7	N290 E294 N295 R296	N290-K292 PolarHBondContact O-N 2.98Å; K292-E294 PolarHBondContact O-N 3.34Å; K292-N295 WeakPolarHBondContact O-CB 3.32Å; K292-N295 PolarHBondContact O-N 3.26Å; K292-R296 WeakPolarHBondContact O-CG 3.48Å; K292-R296 PolarHBondContact O-N 2.98Å
293	F	98.6	Very high	98.1	Very high	27 Å²	27	65.6 Å²	65.6	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-38.3	-177.5	-61.1	-16.9	0	0	0	113	N295 R296 L297 L319 E320 E321 V343 I346	F293-N295 PolarHBondContact O-N 2.94Å; F293-R296 WeakPolarHBondContact O-CB 3.49Å; F293-R296 PolarHBondContact O-N 3.14Å; F293-R296 VanDerWaalsContact O-N 3.17Å; F293-L297 PolarHBondContact O-N 3.4Å; F293-L319 HydrophobicContact CB-CD2 3.99Å; F293-L319 HydrophobicContact CD1-CD2 3.65Å; F293-L319 HydrophobicContact CD2-CD2 4.34Å; F293-L319 HydrophobicContact CE1-CB 4.22Å; F293-L319 HydrophobicContact CE1-CD2 4.19Å; F293-L319 HydrophobicContact CE2-CB 4.42Å; F293-L319 HydrophobicContact CG-CD2 3.74Å; F293-L319 HydrophobicContact CZ-CB 4.16Å; F293-E320 VanDerWaalsContact CE1-OE2 3.29Å; F293-E320 WeakPolarHBondContact CE1-OE2 3.27Å; F293-E321 HydrophobicContact CE2-CB 4.17Å; F293-E321 HydrophobicContact CE2-CG 4.04Å; F293-E321 HydrophobicContact CZ-CB 4.2Å; F293-E321 HydrophobicContact CZ-CG 3.9Å; F293-V343 HydrophobicContact CE2-CG1 4.45Å; F293-I346 HydrophobicContact CB-CD1 3.78Å; F293-I346 HydrophobicContact CB-CG1 3.96Å; F293-I346 HydrophobicContact CB-CG2 4.27Å; F293-I346 HydrophobicContact CD2-CG1 4.15Å
294	E	98.4	Very high	98.1	Very high	60 Å²	60	63.6 Å²	63.6	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-45.2	177.2	-60.2	83.4	173.5	0	0	111.4	K292 R296 L297 E298 K342 I346	K292-E294 PolarHBondContact O-N 3.34Å; E294-R296 VanDerWaalsContact C-N 3.25Å; E294-R296 PolarHBondContact O-N 3.27Å; E294-L297 WeakPolarHBondContact O-CB 3.42Å; E294-L297 PolarHBondContact O-N 3.36Å; E294-L297 VanDerWaalsContact O-N 3.16Å; E294-E298 WeakPolarHBondContact O-CG 3.22Å; E294-E298 PolarHBondContact O-N 2.9Å; E294-K342 WeakPolarHBondContact OE1-CE 3.35Å; E294-K342 IonicContact OE1-NZ 3.09Å; E294-K342 PolarHBondContact OE1-NZ 2.71Å; E294-I346 HydrophobicContact CG-CD1 3.88Å
295	N	98.5	Very high	98	Very high	75 Å²	75	63.4 Å²	63.4	40%	0.401	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-30.7	177.9	-63.3	17.3	0	0	0	111.8	I291 K292 F293 T299	I291-N295 HydrophobicContact CG2-CB 3.98Å; K292-N295 WeakPolarHBondContact O-CB 3.32Å; K292-N295 PolarHBondContact O-N 3.26Å; F293-N295 PolarHBondContact O-N 2.94Å; N295-T299 PolarHBondContact O-N 3.26Å; N295-T299 VanDerWaalsContact O-N 3.16Å; N295-T299 PolarHBondContact O-OG1 3.06Å
296	R	98.5	Very high	98	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-46.8	173.6	-46.6	-169.4	-171.6	178.5	-0.7	110.2	F267 I291 K292 F293 E294 T299 V300 L317 Y318 E320	F267-R296 HydrophobicContact CD1-CB 3.65Å; F267-R296 HydrophobicContact CD1-CG 3.79Å; F267-R296 HydrophobicContact CD2-CB 4.38Å; F267-R296 HydrophobicContact CE1-CB 3.59Å; F267-R296 HydrophobicContact CE1-CG 3.32Å; F267-R296 HydrophobicContact CE2-CB 4.3Å; F267-R296 HydrophobicContact CG-CB 4.08Å; F267-R296 HydrophobicContact CZ-CB 3.93Å; F267-R296 HydrophobicContact CZ-CG 3.83Å; I291-R296 HydrophobicContact CG2-CG 3.95Å; I291-R296 PolarHBondContact O-NE 3.4Å; I291-R296 PolarHBondContact O-NH2 3.18Å; K292-R296 WeakPolarHBondContact O-CG 3.48Å; K292-R296 PolarHBondContact O-N 2.98Å; F293-R296 WeakPolarHBondContact O-CB 3.49Å; F293-R296 PolarHBondContact O-N 3.14Å; F293-R296 VanDerWaalsContact O-N 3.17Å; E294-R296 VanDerWaalsContact C-N 3.25Å; E294-R296 PolarHBondContact O-N 3.27Å; R296-T299 PolarHBondContact O-N 3.07Å; R296-V300 PolarHBondContact O-N 2.93Å; R296-V300 VanDerWaalsContact O-N 3.08Å; R296-L317 HydrophobicContact CB-CD1 3.71Å; R296-Y318 PolarHBondContact NH1-O 2.83Å; R296-E320 IonicContact CZ-OE1 3.07Å; R296-E320 IonicContact CZ-OE2 3.7Å; R296-E320 VanDerWaalsContact CZ-OE2 3.22Å; R296-E320 VanDerWaalsContact NH1-CD 3.29Å; R296-E320 IonicContact NH1-OE1 2.67Å; R296-E320 PolarHBondContact NH1-OE1 3.44Å; R296-E320 VanDerWaalsContact NH1-OE1 3.08Å; R296-E320 IonicContact NH1-OE2 3.96Å; R296-E320 PolarHBondContact NH1-OE2 3.31Å; R296-E320 VanDerWaalsContact NH2-CD 3.33Å; R296-E320 IonicContact NH2-OE1 3.67Å; R296-E320 PolarHBondContact NH2-OE1 3.32Å; R296-E320 IonicContact NH2-OE2 3.84Å; R296-E320 PolarHBondContact NH2-OE2 3.02Å
297	L	98.1	Very high	97.9	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-46.3	175.3	-73.9	-177.8	0	0	0	112.3	F293 E294 T299 V300 F301 L317 I346 D349 L350	F293-L297 PolarHBondContact O-N 3.4Å; E294-L297 WeakPolarHBondContact O-CB 3.42Å; E294-L297 PolarHBondContact O-N 3.36Å; E294-L297 VanDerWaalsContact O-N 3.16Å; L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 PolarHBondContact O-N 3.39Å; L297-V300 PolarHBondContact O-N 3.26Å; L297-V300 VanDerWaalsContact O-N 3.09Å; L297-F301 HydrophobicContact CB-CE2 4.24Å; L297-F301 VanDerWaalsContact O-CD2 3.22Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 WeakPolarHBondContact O-CG 3.31Å; L297-F301 PolarHBondContact O-N 2.81Å; L297-L317 HydrophobicContact CD2-CD2 3.42Å; L297-L317 VanDerWaalsContact CD2-CD2 3.42Å; L297-L317 HydrophobicContact CG-CD2 4.44Å; L297-I346 HydrophobicContact CD1-CG2 3.63Å; L297-I346 WeakPolarHBondContact CD1-O 3.38Å; L297-I346 HydrophobicContact CG-CG2 4.14Å; L297-D349 HydrophobicContact CD1-CB 4.01Å; L297-L350 HydrophobicContact CD1-CB 4.49Å; L297-L350 HydrophobicContact CD2-CB 3.94Å; L297-L350 HydrophobicContact CD2-CD1 3.97Å; L297-L350 HydrophobicContact CD2-CG 4.39Å
298	E	98.3	Very high	97.8	Very high	109 Å²	109	60.2 Å²	60.2	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-45.8	176.9	-74.9	175.6	174.5	0	0	111.1	E294 V300 F301 E302	E294-E298 WeakPolarHBondContact O-CG 3.22Å; E294-E298 PolarHBondContact O-N 2.9Å; E298-V300 PolarHBondContact O-N 2.75Å; E298-F301 PolarHBondContact O-N 3.15Å; E298-E302 WeakPolarHBondContact O-CG 3.5Å; E298-E302 PolarHBondContact O-N 2.82Å
299	T	98.6	Very high	97.7	Very high	20 Å²	20	65.6 Å²	65.6	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-40.2	177.7	-56.9	0	0	0	0	112.4	F267 N295 R296 L297 F301 E302 W303	F267-T299 HydrophobicContact CD2-CG2 3.64Å; F267-T299 VanDerWaalsContact CE2-CB 3.41Å; F267-T299 HydrophobicContact CE2-CG2 3.63Å; F267-T299 WeakPolarHBondContact CE2-OG1 3.4Å; N295-T299 PolarHBondContact O-N 3.26Å; N295-T299 VanDerWaalsContact O-N 3.16Å; N295-T299 PolarHBondContact O-OG1 3.06Å; R296-T299 PolarHBondContact O-N 3.07Å; L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 PolarHBondContact O-N 3.39Å; T299-F301 VanDerWaalsContact C-N 3.28Å; T299-F301 PolarHBondContact O-N 3.34Å; T299-E302 WeakPolarHBondContact O-CB 3.46Å; T299-E302 PolarHBondContact O-N 3.4Å; T299-W303 HydrophobicContact CG2-CD2 4.13Å; T299-W303 VanDerWaalsContact CG2-CE2 3.47Å; T299-W303 HydrophobicContact CG2-CH2 4.23Å; T299-W303 HydrophobicContact CG2-CZ2 3.55Å; T299-W303 VanDerWaalsContact O-CG 3.29Å; T299-W303 PolarHBondContact O-N 2.7Å
300	V	98.7	Very high	97.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-39.7	174.9	171.8	0	0	0	0	110.7	L160 F267 R296 L297 E298 W303 L304 Y315 L317	L160-V300 HydrophobicContact CD1-CG1 4.31Å; L160-V300 HydrophobicContact CD2-CG1 4.45Å; F267-V300 HydrophobicContact CB-CG2 4.06Å; R296-V300 PolarHBondContact O-N 2.93Å; R296-V300 VanDerWaalsContact O-N 3.08Å; L297-V300 PolarHBondContact O-N 3.26Å; L297-V300 VanDerWaalsContact O-N 3.09Å; E298-V300 PolarHBondContact O-N 2.75Å; V300-W303 PolarHBondContact O-N 3.12Å; V300-L304 HydrophobicContact CG1-CD1 4.17Å; V300-L304 WeakPolarHBondContact O-CG 3.43Å; V300-L304 PolarHBondContact O-N 3.37Å; V300-Y315 HydrophobicContact CG1-CD1 4.4Å; V300-L317 HydrophobicContact CG2-CD1 4.41Å
301	F	98.6	Very high	97.8	Very high	18 Å²	18	59.8 Å²	59.8	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-36.5	175.2	-66	-45.4	0	0	0	113.5	L297 E298 T299 W303 L304 S305 L350 L354	L297-F301 HydrophobicContact CB-CE2 4.24Å; L297-F301 VanDerWaalsContact O-CD2 3.22Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 WeakPolarHBondContact O-CG 3.31Å; L297-F301 PolarHBondContact O-N 2.81Å; E298-F301 PolarHBondContact O-N 3.15Å; T299-F301 VanDerWaalsContact C-N 3.28Å; T299-F301 PolarHBondContact O-N 3.34Å; F301-W303 VanDerWaalsContact C-N 3.33Å; F301-L304 HydrophobicContact CD1-CD1 4.19Å; F301-L304 PolarHBondContact O-N 3.02Å; F301-S305 WeakPolarHBondContact O-CB 3.15Å; F301-S305 PolarHBondContact O-N 2.79Å; F301-S305 PolarHBondContact O-OG 3.26Å; F301-L350 HydrophobicContact CE1-CD1 4Å; F301-L350 HydrophobicContact CZ-CD1 4.05Å; F301-L354 HydrophobicContact CE1-CD2 4.17Å; F301-L354 HydrophobicContact CE1-CG 4.35Å
302	E	98.4	Very high	97.8	Very high	116 Å²	116	57.6 Å²	57.6	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-58.8	-46.9	171	-72.9	173.1	179.4	0	0	110.4	E298 T299 L304 S305 L306	E298-E302 WeakPolarHBondContact O-CG 3.5Å; E298-E302 PolarHBondContact O-N 2.82Å; T299-E302 WeakPolarHBondContact O-CB 3.46Å; T299-E302 PolarHBondContact O-N 3.4Å; E302-L304 PolarHBondContact O-N 2.83Å; E302-S305 CarbonylContact O-C 3.51Å; E302-S305 WeakPolarHBondContact O-CA 3.47Å; E302-S305 PolarHBondContact O-N 2.92Å; E302-L306 PolarHBondContact O-N 3.03Å
303	W	98.6	Very high	97.8	Very high	12 Å²	12	52.2 Å²	52.2	5%	0.045	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-42.9	177.1	-63	-14	0	0	0	112.5	G265 F267 L283 R285 T299 V300 F301 S305 L306 R311 Y315	G265-W303 VanDerWaalsContact C-CZ3 3.43Å; F267-W303 HydrophobicContact CB-CH2 4.03Å; F267-W303 HydrophobicContact CB-CZ3 3.96Å; F267-W303 HydrophobicContact CD2-CH2 4.02Å; F267-W303 HydrophobicContact CD2-CZ2 4.48Å; F267-W303 HydrophobicContact CD2-CZ3 4.48Å; F267-W303 HydrophobicContact CG-CH2 4.46Å; L283-W303 HydrophobicContact CB-CZ2 4.17Å; L283-W303 HydrophobicContact CD1-CB 4.46Å; L283-W303 HydrophobicContact CD1-CD2 4.11Å; L283-W303 HydrophobicContact CD1-CG 3.85Å; R285-W303 HydrophobicContact CG-CH2 4.25Å; R285-W303 HydrophobicContact CG-CZ2 4.27Å; T299-W303 HydrophobicContact CG2-CD2 4.13Å; T299-W303 VanDerWaalsContact CG2-CE2 3.47Å; T299-W303 HydrophobicContact CG2-CH2 4.23Å; T299-W303 HydrophobicContact CG2-CZ2 3.55Å; T299-W303 VanDerWaalsContact O-CG 3.29Å; T299-W303 PolarHBondContact O-N 2.7Å; V300-W303 PolarHBondContact O-N 3.12Å; F301-W303 VanDerWaalsContact C-N 3.33Å; W303-S305 PolarHBondContact O-N 2.74Å; W303-L306 HydrophobicContact CB-CD1 4.42Å; W303-L306 VanDerWaalsContact O-CB 3.32Å; W303-L306 WeakPolarHBondContact O-CB 3.38Å; W303-L306 WeakPolarHBondContact O-CG 3.31Å; W303-L306 PolarHBondContact O-N 3.42Å; W303-L306 VanDerWaalsContact O-N 3.13Å; W303-R311 WeakPolarHBondContact O-CG 3.42Å; W303-Y315 HydrophobicContact CB-CE1 3.81Å; W303-Y315 HydrophobicContact CE3-CD1 4.23Å
304	L	98.2	Very high	97.8	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-20.6	173.7	-76.3	166.4	0	0	0	113.1	F154 P158 V300 F301 E302 R311 Y315 L354 L359	F154-L304 HydrophobicContact CE1-CD2 4.27Å; F154-L304 HydrophobicContact CZ-CD2 4.47Å; F154-L304 WeakPolarHBondContact CZ-O 3.39Å; P158-L304 HydrophobicContact CG-CD2 4.4Å; V300-L304 HydrophobicContact CG1-CD1 4.17Å; V300-L304 WeakPolarHBondContact O-CG 3.43Å; V300-L304 PolarHBondContact O-N 3.37Å; F301-L304 HydrophobicContact CD1-CD1 4.19Å; F301-L304 PolarHBondContact O-N 3.02Å; E302-L304 PolarHBondContact O-N 2.83Å; L304-R311 WeakPolarHBondContact O-CD 3.15Å; L304-Y315 HydrophobicContact CD2-CE1 4.12Å; L304-Y315 HydrophobicContact CD2-CE2 3.81Å; L304-Y315 HydrophobicContact CG-CE1 4.06Å; L304-L354 HydrophobicContact CD1-CD2 3.86Å; L304-L359 HydrophobicContact CB-CD1 4.28Å; L304-L359 HydrophobicContact CD1-CD1 4.41Å; L304-L359 HydrophobicContact CD2-CD1 4.36Å
305	S	96.8	Very high	97.9	Very high	76 Å²	76	48.1 Å²	48.1	53%	0.531	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.7	178.8	-51.6	0	0	0	0	113.2	F301 E302 W303	F301-S305 WeakPolarHBondContact O-CB 3.15Å; F301-S305 PolarHBondContact O-N 2.79Å; F301-S305 PolarHBondContact O-OG 3.26Å; E302-S305 CarbonylContact O-C 3.51Å; E302-S305 WeakPolarHBondContact O-CA 3.47Å; E302-S305 PolarHBondContact O-N 2.92Å; W303-S305 PolarHBondContact O-N 2.74Å
306	L	98	Very high	97.9	Very high	44 Å²	44	44.6 Å²	44.6	23%	0.23	22%	0.223	C	C	.	.	S	Bend	trans	-62.4	156	177.1	-72.2	172.6	0	0	0	111.7	L283 E302 W303 E310 R311	L283-L306 HydrophobicContact CD1-CD1 3.8Å; E302-L306 PolarHBondContact O-N 3.03Å; W303-L306 HydrophobicContact CB-CD1 4.42Å; W303-L306 VanDerWaalsContact O-CB 3.32Å; W303-L306 WeakPolarHBondContact O-CB 3.38Å; W303-L306 WeakPolarHBondContact O-CG 3.31Å; W303-L306 PolarHBondContact O-N 3.42Å; W303-L306 VanDerWaalsContact O-N 3.13Å; L306-E310 HydrophobicContact CB-CB 4.44Å; L306-R311 HydrophobicContact CB-CB 4.01Å; L306-R311 PolarHBondContact O-NH1 2.7Å
307	P	96.4	Very high	97.9	Very high	80 Å²	80	44.6 Å²	44.6	52%	0.519	22%	0.223	S	C	.	.			trans	-54.7	147.2	169.9	-23.2	33.7	0	0	0	111.7	K309 E310 R311	P307-K309 PolarHBondContact O-N 3.37Å; P307-E310 PolarHBondContact O-N 3.1Å; P307-R311 WeakPolarHBondContact O-CB 3.39Å; P307-R311 PolarHBondContact O-N 2.95Å
308	E	94.9	Very high	97.9	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-36.5	-175.6	179.6	175.1	-170.7	0	0	113.3	G153 S155 E310	G153-E308 VanDerWaalsContact O-CG 3.24Å; G153-E308 WeakPolarHBondContact O-CG 3.26Å; S155-E308 PolarHBondContact OG-OE1 2.79Å; E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 3.34Å
309	K	94.5	Very high	98	Very high	178 Å²	178	40.1 Å²	40.1	77%	0.774	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.5	179	-69.8	-173.4	-179.4	178.6	0	114.3	K263 P307	K263-K309 WeakPolarHBondContact CE-O 3.43Å; K263-K309 PolarHBondContact NZ-O 2.92Å; P307-K309 PolarHBondContact O-N 3.37Å
310	E	96.9	Very high	98	Very high	115 Å²	115	40.1 Å²	40.1	54%	0.537	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-21.8	-177.6	-68.6	172.8	-137.3	0	0	112.4	K263 L306 P307 E308	K263-E310 WeakPolarHBondContact CD-O 3.25Å; L306-E310 HydrophobicContact CB-CB 4.44Å; P307-E310 PolarHBondContact O-N 3.1Å; E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 3.34Å
311	R	98.3	Very high	98	Very high	26 Å²	26	41.6 Å²	41.6	10%	0.098	21%	0.207	C	C	.	.			trans	-65.4	132.6	-176.3	-174.1	163.3	63.9	-120.6	-1.2	112.3	G153 F154 W303 L304 L306 P307 Y315	G153-R311 PolarHBondContact O-NH2 3.2Å; F154-R311 VanDerWaalsContact CE1-NE 3.33Å; F154-R311 VanDerWaalsContact CZ-NE 3.28Å; W303-R311 WeakPolarHBondContact O-CG 3.42Å; L304-R311 WeakPolarHBondContact O-CD 3.15Å; L306-R311 HydrophobicContact CB-CB 4.01Å; L306-R311 PolarHBondContact O-NH1 2.7Å; P307-R311 WeakPolarHBondContact O-CB 3.39Å; P307-R311 PolarHBondContact O-N 2.95Å; R311-Y315 WeakPolarHBondContact CG-OH 3.39Å
312	P	98.5	Very high	98	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	20%	0.203	C	C	.	.			trans	-64	153.5	171.6	-20.4	30.6	0	0	0	114.4	K263 L283 Y315	K263-P312 HydrophobicContact CB-CB 4.35Å; L283-P312 HydrophobicContact CD1-CG 3.88Å; P312-Y315 HydrophobicContact CB-CD1 4.23Å; P312-Y315 HydrophobicContact CB-CD2 4.41Å; P312-Y315 HydrophobicContact CB-CE1 3.71Å; P312-Y315 HydrophobicContact CB-CE2 3.87Å; P312-Y315 VanDerWaalsContact CB-CZ 3.5Å; P312-Y315 WeakPolarHBondContact CD-OH 3.29Å; P312-Y315 HydrophobicContact CG-CD1 4.47Å; P312-Y315 HydrophobicContact CG-CE1 3.8Å; P312-Y315 WeakPolarHBondContact O-CE2 3.36Å; P312-Y315 PolarHBondContact O-OH 3.16Å
313	D	98.6	Very high	98	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	18%	0.182	C	C	.	.	S	Bend	trans	-100.5	-30.6	169.3	-55.8	-83.4	0	0	0	111.1	R156 P158 L159 L262 K263 L524	R156-D313 WeakPolarHBondContact CD-OD1 3.42Å; P158-D313 CarbonylContact C-O 3.56Å; P158-D313 VanDerWaalsContact CA-O 3.25Å; P158-D313 WeakPolarHBondContact CA-O 3.18Å; L159-D313 PolarHBondContact N-O 3.15Å; L262-D313 VanDerWaalsContact CA-OD2 3.31Å; L262-D313 WeakPolarHBondContact CA-OD2 3.17Å; L262-D313 HydrophobicContact CB-CB 4.09Å; L262-D313 WeakPolarHBondContact CB-OD2 3.15Å; L262-D313 HydrophobicContact CD1-CB 4.37Å; L262-D313 HydrophobicContact CD2-CB 4.4Å; K263-D313 PolarHBondContact N-OD2 3.44Å; K263-D313 PolarHBondContact O-N 3.28Å; D313-L524 HydrophobicContact CB-CD2 4.42Å
314	F	98.9	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.2	175.8	177.4	-107.5	0	0	0	110.8	L159 L161 V253 W254 K263 A264 G265 T316 M520 L524	L159-F314 HydrophobicContact CB-CD2 4.25Å; L159-F314 HydrophobicContact CD2-CD2 3.92Å; L159-F314 HydrophobicContact CD2-CE2 4.06Å; L159-F314 HydrophobicContact CG-CD2 4.04Å; L159-F314 HydrophobicContact CG-CE2 4.26Å; L159-F314 CarbonylContact O-C 3.38Å; L159-F314 WeakPolarHBondContact O-CA 3.27Å; L161-F314 HydrophobicContact CB-CE2 4.11Å; L161-F314 HydrophobicContact CB-CZ 4.18Å; L161-F314 HydrophobicContact CD2-CZ 4.13Å; V253-F314 HydrophobicContact CG1-CD1 4.14Å; V253-F314 HydrophobicContact CG1-CE1 3.47Å; V253-F314 VanDerWaalsContact CG1-CE1 3.47Å; V253-F314 HydrophobicContact CG1-CE2 3.89Å; V253-F314 HydrophobicContact CG1-CZ 3.31Å; W254-F314 HydrophobicContact CB-CD1 4.17Å; W254-F314 HydrophobicContact CB-CE1 4.38Å; W254-F314 HydrophobicContact CE3-CE1 4.36Å; K263-F314 PolarHBondContact O-N 3.07Å; K263-F314 VanDerWaalsContact O-N 3.11Å; A264-F314 CarbonylContact C-O 3.53Å; A264-F314 VanDerWaalsContact CA-O 3.3Å; A264-F314 WeakPolarHBondContact CA-O 3.33Å; A264-F314 HydrophobicContact CB-CD1 4.26Å; G265-F314 PolarHBondContact N-O 2.87Å; F314-T316 HydrophobicContact CE1-CG2 3.54Å; F314-T316 HydrophobicContact CZ-CG2 3.65Å; F314-M520 HydrophobicContact CE2-SD 3.85Å; F314-M520 HydrophobicContact CZ-SD 4.18Å; F314-L524 HydrophobicContact CB-CD1 4.16Å; F314-L524 HydrophobicContact CB-CD2 4.29Å; F314-L524 HydrophobicContact CD2-CD1 4.13Å; F314-L524 HydrophobicContact CG-CD1 4.39Å
315	Y	98.9	Very high	98	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	-178	-60.1	-103.1	0	0	0	111.3	P158 L159 L160 L161 G265 V300 W303 L304 R311 P312	P158-Y315 HydrophobicContact CB-CD2 4.34Å; P158-Y315 HydrophobicContact CB-CE2 3.86Å; L159-Y315 PolarHBondContact O-N 3.1Å; L160-Y315 VanDerWaalsContact CD1-CB 3.45Å; L161-Y315 PolarHBondContact N-O 3.32Å; G265-Y315 CarbonylContact O-C 3.54Å; G265-Y315 WeakPolarHBondContact O-CA 3.44Å; V300-Y315 HydrophobicContact CG1-CD1 4.4Å; W303-Y315 HydrophobicContact CB-CE1 3.81Å; W303-Y315 HydrophobicContact CE3-CD1 4.23Å; L304-Y315 HydrophobicContact CD2-CE1 4.12Å; L304-Y315 HydrophobicContact CD2-CE2 3.81Å; L304-Y315 HydrophobicContact CG-CE1 4.06Å; R311-Y315 WeakPolarHBondContact CG-OH 3.39Å; P312-Y315 HydrophobicContact CB-CD1 4.23Å; P312-Y315 HydrophobicContact CB-CD2 4.41Å; P312-Y315 HydrophobicContact CB-CE1 3.71Å; P312-Y315 HydrophobicContact CB-CE2 3.87Å; P312-Y315 VanDerWaalsContact CB-CZ 3.5Å; P312-Y315 WeakPolarHBondContact CD-OH 3.29Å; P312-Y315 HydrophobicContact CG-CD1 4.47Å; P312-Y315 HydrophobicContact CG-CE1 3.8Å; P312-Y315 WeakPolarHBondContact O-CE2 3.36Å; P312-Y315 PolarHBondContact O-OH 3.16Å
316	T	98.9	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.4	165.2	74.4	0	0	0	0	111.5	L161 G265 T266 F267 F268 W269 F314	L161-T316 HydrophobicContact CB-CG2 4.48Å; L161-T316 HydrophobicContact CD2-CG2 4.43Å; L161-T316 CarbonylContact O-C 3.51Å; L161-T316 VanDerWaalsContact O-CA 3.28Å; L161-T316 WeakPolarHBondContact O-CA 3.37Å; G265-T316 PolarHBondContact O-N 2.81Å; T266-T316 WeakPolarHBondContact CA-OG1 3.37Å; T266-T316 VanDerWaalsContact CB-OG1 3.3Å; T266-T316 WeakPolarHBondContact CB-OG1 3.29Å; T266-T316 HydrophobicContact CG2-CG2 4.03Å; F267-T316 WeakPolarHBondContact CA-O 3.42Å; F267-T316 WeakPolarHBondContact CB-O 3.49Å; F267-T316 PolarHBondContact N-O 2.86Å; F268-T316 PolarHBondContact O-OG1 3.09Å; W269-T316 HydrophobicContact CB-CG2 4.44Å; W269-T316 HydrophobicContact CD2-CG2 4.16Å; W269-T316 HydrophobicContact CE3-CG2 3.92Å; W269-T316 HydrophobicContact CG-CG2 4.41Å; F314-T316 HydrophobicContact CE1-CG2 3.54Å; F314-T316 HydrophobicContact CZ-CG2 3.65Å
317	L	98.9	Very high	98.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.6	168.6	175.9	67.3	0	0	0	108.5	L160 L161 V162 S163 R296 L297 V300 L319	L160-L317 HydrophobicContact CD1-CB 4.32Å; L161-L317 PolarHBondContact O-N 3.04Å; V162-L317 CarbonylContact C-O 3.59Å; V162-L317 VanDerWaalsContact CA-O 3.28Å; V162-L317 WeakPolarHBondContact CA-O 3.45Å; V162-L317 HydrophobicContact CG1-CB 4.43Å; V162-L317 HydrophobicContact CG1-CD2 4.09Å; V162-L317 HydrophobicContact CG1-CG 4.38Å; V162-L317 HydrophobicContact CG2-CB 4.28Å; V162-L317 HydrophobicContact CG2-CD2 4.34Å; S163-L317 PolarHBondContact N-O 2.96Å; R296-L317 HydrophobicContact CB-CD1 3.71Å; L297-L317 HydrophobicContact CD2-CD2 3.42Å; L297-L317 VanDerWaalsContact CD2-CD2 3.42Å; L297-L317 HydrophobicContact CG-CD2 4.44Å; V300-L317 HydrophobicContact CG2-CD1 4.41Å; L317-L319 HydrophobicContact CD1-CD2 4.31Å; L317-L319 HydrophobicContact CG-CD2 4.37Å
318	Y	98.9	Very high	98.2	Very high	19 Å²	19	33.9 Å²	33.9	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	178.1	164.1	-92.2	0	0	0	110.9	D165 H207 F267 F268 Y287 R296 E320	D165-Y318 HydrophobicContact CB-CE2 3.71Å; D165-Y318 WeakPolarHBondContact OD2-CE2 3.31Å; D165-Y318 VanDerWaalsContact OD2-CZ 3.28Å; D165-Y318 PolarHBondContact OD2-OH 3.38Å; H207-Y318 AromaticContact CE1-CE2 3.65Å; H207-Y318 AromaticContact NE2-CD2 3.41Å; H207-Y318 WeakPolarHBondContact NE2-CD2 3.43Å; H207-Y318 AromaticContact NE2-CE2 3.55Å; F267-Y318 PolarHBondContact O-N 2.92Å; F268-Y318 HydrophobicContact CB-CD1 4.05Å; F268-Y318 HydrophobicContact CB-CG 4.42Å; F268-Y318 HydrophobicContact CD2-CD1 4.39Å; F268-Y318 WeakPolarHBondContact O-CB 3.4Å; Y287-Y318 HydrophobicContact CE2-CD1 4.48Å; Y287-Y318 AromaticContact CE2-CE1 3.99Å; Y287-Y318 HydrophobicContact CE2-CE1 3.99Å; R296-Y318 PolarHBondContact NH1-O 2.83Å; Y318-E320 HydrophobicContact CE1-CB 4.46Å; Y318-E320 HydrophobicContact CE1-CG 3.63Å
319	L	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	174.3	-48.7	-178.9	0	0	0	109.1	S163 L164 D165 F293 L317 E321 V343 I346	S163-L319 PolarHBondContact O-N 2.81Å; L164-L319 HydrophobicContact CD2-CB 4.4Å; L164-L319 HydrophobicContact CD2-CD1 3.72Å; L164-L319 HydrophobicContact CD2-CG 4.31Å; D165-L319 WeakPolarHBondContact CB-O 3.45Å; D165-L319 PolarHBondContact N-O 2.73Å; F293-L319 HydrophobicContact CB-CD2 3.99Å; F293-L319 HydrophobicContact CD1-CD2 3.65Å; F293-L319 HydrophobicContact CD2-CD2 4.34Å; F293-L319 HydrophobicContact CE1-CB 4.22Å; F293-L319 HydrophobicContact CE1-CD2 4.19Å; F293-L319 HydrophobicContact CE2-CB 4.42Å; F293-L319 HydrophobicContact CG-CD2 3.74Å; F293-L319 HydrophobicContact CZ-CB 4.16Å; L317-L319 HydrophobicContact CD1-CD2 4.31Å; L317-L319 HydrophobicContact CG-CD2 4.37Å; L319-E321 PolarHBondContact O-N 2.85Å; L319-V343 HydrophobicContact CD1-CG1 4.29Å; L319-I346 HydrophobicContact CD1-CB 4.5Å; L319-I346 HydrophobicContact CD1-CG2 3.79Å
320	E	98.6	Very high	98.5	Very high	21 Å²	21	26.9 Å²	26.9	10%	0.098	14%	0.14	C	C	.	.			trans	-72.7	-3.7	-178	-62.9	76.3	179.4	0	0	113.7	Y287 F293 R296 Y318 D323 S324	Y287-E320 VanDerWaalsContact CE2-OE1 3.27Å; Y287-E320 WeakPolarHBondContact CE2-OE1 3.28Å; Y287-E320 PolarHBondContact OH-OE1 3.29Å; F293-E320 VanDerWaalsContact CE1-OE2 3.29Å; F293-E320 WeakPolarHBondContact CE1-OE2 3.27Å; R296-E320 IonicContact CZ-OE1 3.07Å; R296-E320 IonicContact CZ-OE2 3.7Å; R296-E320 VanDerWaalsContact CZ-OE2 3.22Å; R296-E320 VanDerWaalsContact NH1-CD 3.29Å; R296-E320 IonicContact NH1-OE1 2.67Å; R296-E320 PolarHBondContact NH1-OE1 3.44Å; R296-E320 VanDerWaalsContact NH1-OE1 3.08Å; R296-E320 IonicContact NH1-OE2 3.96Å; R296-E320 PolarHBondContact NH1-OE2 3.31Å; R296-E320 VanDerWaalsContact NH2-CD 3.33Å; R296-E320 IonicContact NH2-OE1 3.67Å; R296-E320 PolarHBondContact NH2-OE1 3.32Å; R296-E320 IonicContact NH2-OE2 3.84Å; R296-E320 PolarHBondContact NH2-OE2 3.02Å; Y318-E320 HydrophobicContact CE1-CB 4.46Å; Y318-E320 HydrophobicContact CE1-CG 3.63Å; E320-D323 PolarHBondContact O-N 2.86Å; E320-S324 PolarHBondContact O-N 3.05Å
321	E	98.7	Very high	98.5	Very high	31 Å²	31	21.5 Å²	21.5	15%	0.145	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	145	-179.6	-69.7	-66.6	177.8	0	0	110.7	D165 F293 L319 T325 A339 V343	D165-E321 CarbonylContact O-C 3.4Å; F293-E321 HydrophobicContact CE2-CB 4.17Å; F293-E321 HydrophobicContact CE2-CG 4.04Å; F293-E321 HydrophobicContact CZ-CB 4.2Å; F293-E321 HydrophobicContact CZ-CG 3.9Å; L319-E321 PolarHBondContact O-N 2.85Å; E321-T325 PolarHBondContact OE1-OG1 3.18Å; E321-T325 WeakPolarHBondContact OE2-CB 3.38Å; E321-T325 PolarHBondContact OE2-N 2.66Å; E321-T325 PolarHBondContact OE2-OG1 3.15Å; E321-A339 HydrophobicContact CB-CB 4.46Å; E321-A339 HydrophobicContact CG-CB 4.49Å; E321-V343 HydrophobicContact CB-CG1 3.81Å
322	P	98.6	Very high	98.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.9	7.3	9.2	36.5	-40.2	0	0	0	116.7	D165 F167 Y171 S324 T325 G326 V336 A339 L340	D165-P322 WeakPolarHBondContact O-CD 3.39Å; D165-P322 VanDerWaalsContact O-N 3.12Å; F167-P322 HydrophobicContact CB-CG 4.05Å; F167-P322 HydrophobicContact CD2-CG 4.19Å; F167-P322 HydrophobicContact CG-CG 4.26Å; Y171-P322 HydrophobicContact CD2-CG 4.33Å; Y171-P322 HydrophobicContact CE2-CG 3.98Å; P322-S324 PolarHBondContact O-N 3.46Å; P322-T325 PolarHBondContact O-N 2.65Å; P322-G326 PolarHBondContact O-N 2.94Å; P322-V336 HydrophobicContact CB-CG1 4.5Å; P322-A339 HydrophobicContact CB-CB 4.44Å; P322-L340 HydrophobicContact CB-CD2 4.01Å; P322-L340 HydrophobicContact CB-CG 4.37Å; P322-L340 HydrophobicContact CG-CD2 3.81Å
323	D	98.8	Very high	98.5	Very high	19 Å²	19	28.6 Å²	28.6	10%	0.102	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-52.6	-176.9	-180	70.7	0	0	0	113.2	D165 E320 T325 G326 H327 H371 M373 H482	D165-D323 HydrophobicContact CB-CB 3.88Å; D165-D323 WeakPolarHBondContact O-CB 3.01Å; D165-D323 PolarHBondContact O-N 2.88Å; D165-D323 VanDerWaalsContact OD1-CB 3.3Å; D165-D323 WeakPolarHBondContact OD1-CB 3.33Å; E320-D323 PolarHBondContact O-N 2.86Å; D323-T325 VanDerWaalsContact C-N 3.34Å; D323-T325 PolarHBondContact O-N 3.34Å; D323-G326 CarbonylContact O-C 3.26Å; D323-G326 PolarHBondContact O-N 3.38Å; D323-G326 VanDerWaalsContact O-N 3.11Å; D323-H327 WeakPolarHBondContact O-CB 3.46Å; D323-H327 PolarHBondContact O-N 3.38Å; D323-H327 IonicContact OD1-CD2 3.31Å; D323-H327 IonicContact OD1-NE2 2.71Å; D323-H327 IonicContact OD2-CD2 2.86Å; D323-H327 PolarHBondContact OD2-CD2 2.88Å; D323-H327 IonicContact OD2-NE2 3.96Å; D323-H371 IonicContact OD1-CE1 3.89Å; D323-M373 HydrophobicContact CB-CE 4.5Å; D323-M373 WeakPolarHBondContact OD1-CE 3.47Å; D323-H482 IonicContact OD1-CD2 3.07Å; D323-H482 IonicContact OD1-NE2 2.94Å
324	S	98.3	Very high	98.4	Very high	63 Å²	63	31.3 Å²	31.3	44%	0.441	17%	0.169	S	C	.	.	H	α-helix	trans	-55.3	-48.8	-177.8	167.9	0	0	0	0	111.9	E320 P322 A328	E320-S324 PolarHBondContact O-N 3.05Å; P322-S324 PolarHBondContact O-N 3.46Å; S324-A328 PolarHBondContact O-N 3.48Å
325	T	98.7	Very high	98.4	Very high	21 Å²	21	35 Å²	35	13%	0.129	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-37	177.7	-63.2	0	0	0	0	112	E321 P322 D323 H327 A328 Y329 Q335 V336 A339	E321-T325 PolarHBondContact OE1-OG1 3.18Å; E321-T325 WeakPolarHBondContact OE2-CB 3.38Å; E321-T325 PolarHBondContact OE2-N 2.66Å; E321-T325 PolarHBondContact OE2-OG1 3.15Å; P322-T325 PolarHBondContact O-N 2.65Å; D323-T325 VanDerWaalsContact C-N 3.34Å; D323-T325 PolarHBondContact O-N 3.34Å; T325-H327 PolarHBondContact O-N 2.82Å; T325-A328 PolarHBondContact O-N 3.13Å; T325-Y329 HydrophobicContact CG2-CD2 3.78Å; T325-Y329 HydrophobicContact CG2-CE2 4.42Å; T325-Y329 PolarHBondContact O-N 3.4Å; T325-Q335 HydrophobicContact CG2-CB 3.56Å; T325-Q335 WeakPolarHBondContact CG2-O 3.39Å; T325-V336 HydrophobicContact CG2-CG2 3.93Å; T325-A339 HydrophobicContact CG2-CB 4.18Å
326	G	98.6	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-45.8	174.8	0	0	0	0	0	112.1	P322 D323 A328 G330 G480	P322-G326 PolarHBondContact O-N 2.94Å; D323-G326 CarbonylContact O-C 3.26Å; D323-G326 PolarHBondContact O-N 3.38Å; D323-G326 VanDerWaalsContact O-N 3.11Å; G326-A328 PolarHBondContact O-N 3.18Å; G326-G330 WeakPolarHBondContact O-CA 3.44Å; G326-G330 PolarHBondContact O-N 3.04Å; G326-G480 VanDerWaalsContact O-CA 3.23Å; G326-G480 WeakPolarHBondContact O-CA 3.44Å; G326-G480 PolarHBondContact O-N 3.41Å
327	H	98.4	Very high	98.4	Very high	25 Å²	25	36.2 Å²	36.2	12%	0.116	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-43.6	173.1	-89.9	-43.9	0	0	0	113	D323 T325 Y476 G479 G480 H482	D323-H327 WeakPolarHBondContact O-CB 3.46Å; D323-H327 PolarHBondContact O-N 3.38Å; D323-H327 IonicContact OD1-CD2 3.31Å; D323-H327 IonicContact OD1-NE2 2.71Å; D323-H327 IonicContact OD2-CD2 2.86Å; D323-H327 PolarHBondContact OD2-CD2 2.88Å; D323-H327 IonicContact OD2-NE2 3.96Å; T325-H327 PolarHBondContact O-N 2.82Å; H327-Y476 HydrophobicContact CB-CE1 4.2Å; H327-Y476 AromaticContact CE1-CE1 3.78Å; H327-Y476 AromaticContact CE1-CE2 3.85Å; H327-Y476 AromaticContact CE1-CZ 3.36Å; H327-Y476 PolarHBondContact CE1-OH 2.94Å; H327-Y476 VanDerWaalsContact CE1-OH 3.23Å; H327-Y476 AromaticContact CG-CE1 3.83Å; H327-Y476 AromaticContact ND1-CD1 3.94Å; H327-Y476 AromaticContact ND1-CE1 3.35Å; H327-Y476 VanDerWaalsContact ND1-CE1 3.35Å; H327-Y476 WeakPolarHBondContact ND1-CE1 3.45Å; H327-Y476 AromaticContact ND1-CZ 3.46Å; H327-Y476 AromaticContact NE2-CZ 3.8Å; H327-Y476 PolarHBondContact NE2-OH 3.34Å; H327-Y476 VanDerWaalsContact NE2-OH 3.16Å; H327-G479 WeakPolarHBondContact O-CA 3.48Å; H327-G480 PolarHBondContact ND1-O 3.48Å; H327-G480 PolarHBondContact O-N 3.35Å; H327-H482 AromaticContact CE1-CD2 3.32Å; H327-H482 PolarHBondContact CE1-CD2 3.32Å; H327-H482 AromaticContact CE1-NE2 3.5Å; H327-H482 AromaticContact NE2-CD2 3.43Å; H327-H482 PolarHBondContact NE2-CD2 3.21Å; H327-H482 AromaticContact NE2-NE2 3.18Å; H327-H482 PolarHBondContact NE2-NE2 3.23Å; H327-H482 VanDerWaalsContact NE2-NE2 3.18Å
328	A	98.1	Very high	98.4	Very high	60 Å²	60	38.7 Å²	38.7	50%	0.496	21%	0.213	S	C	.	.	H	α-helix	trans	-73.5	-38.5	-175.1	0	0	0	0	0	113.5	S324 T325 G326	S324-A328 PolarHBondContact O-N 3.48Å; T325-A328 PolarHBondContact O-N 3.13Å; G326-A328 PolarHBondContact O-N 3.18Å
329	Y	98.2	Very high	98.4	Very high	132 Å²	132	38.2 Å²	38.2	52%	0.518	21%	0.213	S	C	.	.	H	α-helix	trans	-123.1	-12.5	-167.8	-61.1	-80.5	0	0	0	114.8	T325 S333 Q335	T325-Y329 HydrophobicContact CG2-CD2 3.78Å; T325-Y329 HydrophobicContact CG2-CE2 4.42Å; T325-Y329 PolarHBondContact O-N 3.4Å; Y329-S333 VanDerWaalsContact CB-OG 3.3Å; Y329-S333 WeakPolarHBondContact CB-OG 3.28Å; Y329-S333 WeakPolarHBondContact O-CB 3.45Å; Y329-Q335 HydrophobicContact CD1-CB 4.4Å; Y329-Q335 HydrophobicContact CD1-CG 3.85Å; Y329-Q335 HydrophobicContact CD2-CB 3.68Å; Y329-Q335 HydrophobicContact CD2-CG 3.87Å; Y329-Q335 HydrophobicContact CE1-CG 4.03Å; Y329-Q335 HydrophobicContact CE2-CB 4.18Å; Y329-Q335 HydrophobicContact CE2-CG 4.04Å; Y329-Q335 HydrophobicContact CG-CB 3.8Å; Y329-Q335 HydrophobicContact CG-CG 3.77Å
330	G	98	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.			trans	93.2	148.5	-178.1	0	0	0	0	0	112.2	G326 K332 S333 V336 G479	G326-G330 WeakPolarHBondContact O-CA 3.44Å; G326-G330 PolarHBondContact O-N 3.04Å; G330-K332 PolarHBondContact O-N 3.31Å; G330-K332 VanDerWaalsContact O-N 3.1Å; G330-S333 VanDerWaalsContact O-CB 3.31Å; G330-S333 WeakPolarHBondContact O-CB 3.45Å; G330-S333 PolarHBondContact O-N 3.18Å; G330-S333 VanDerWaalsContact O-N 3.16Å; G330-S333 PolarHBondContact O-OG 2.92Å; G330-V336 VanDerWaalsContact O-CG2 3.27Å; G330-V336 WeakPolarHBondContact O-CG2 3.41Å; G330-G479 VanDerWaalsContact CA-C 3.42Å
331	P	97.6	Very high	98.4	Very high	2 Å²	2	41 Å²	41	1%	0.013	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.5	-172.2	21.9	-36	0	0	0	114.9	Y171 M373 E375	Y171-P331 HydrophobicContact CE1-CB 4.16Å; Y171-P331 VanDerWaalsContact CE1-O 3.29Å; Y171-P331 WeakPolarHBondContact CE1-O 3.29Å; Y171-P331 VanDerWaalsContact OH-CA 3.27Å; Y171-P331 WeakPolarHBondContact OH-CA 3Å; Y171-P331 WeakPolarHBondContact OH-CB 3.3Å; P331-M373 HydrophobicContact CB-CB 4.31Å; P331-M373 HydrophobicContact CB-CG 4.05Å; P331-M373 HydrophobicContact CG-CG 4.36Å; P331-E375 VanDerWaalsContact CD-OE2 3.23Å; P331-E375 WeakPolarHBondContact CD-OE2 3.31Å; P331-E375 HydrophobicContact CG-CB 4.19Å
332	K	96.9	Very high	98.4	Very high	162 Å²	162	43.4 Å²	43.4	70%	0.704	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	9.4	-176.6	-61	-176.8	-178.4	-179.6	0	114	G330	G330-K332 PolarHBondContact O-N 3.31Å; G330-K332 VanDerWaalsContact O-N 3.1Å
333	S	98.3	Very high	98.4	Very high	15 Å²	15	43.4 Å²	43.4	11%	0.105	24%	0.236	C	C	.	.	S	Bend	trans	-78.2	154.6	-174.8	67.2	0	0	0	0	113.2	Y329 G330 Q335 V336 I337	Y329-S333 VanDerWaalsContact CB-OG 3.3Å; Y329-S333 WeakPolarHBondContact CB-OG 3.28Å; Y329-S333 WeakPolarHBondContact O-CB 3.45Å; G330-S333 VanDerWaalsContact O-CB 3.31Å; G330-S333 WeakPolarHBondContact O-CB 3.45Å; G330-S333 PolarHBondContact O-N 3.18Å; G330-S333 VanDerWaalsContact O-N 3.16Å; G330-S333 PolarHBondContact O-OG 2.92Å; S333-Q335 PolarHBondContact O-N 2.57Å; S333-V336 PolarHBondContact O-N 3.02Å; S333-V336 WeakPolarHBondContact OG-CG2 3.46Å; S333-V336 PolarHBondContact OG-N 2.83Å; S333-I337 PolarHBondContact O-N 3.29Å
334	S	98.2	Very high	98.4	Very high	84 Å²	84	42.8 Å²	42.8	59%	0.587	23%	0.233	S	C	*	.	H	α-helix	trans	-65.2	-26.4	174	55.8	0	0	0	0	112.4	I337 A338	S334-I337 WeakPolarHBondContact O-CB 3.43Å; S334-I337 PolarHBondContact O-N 2.81Å; S334-A338 PolarHBondContact O-N 2.8Å; S334-A338 VanDerWaalsContact O-N 3.07Å
335	Q	98.7	Very high	98.4	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-64.7	-45	173.7	-64.9	81.4	-7.4	0	0	110.9	T325 Y329 S333 I337 A338 A339	T325-Q335 HydrophobicContact CG2-CB 3.56Å; T325-Q335 WeakPolarHBondContact CG2-O 3.39Å; Y329-Q335 HydrophobicContact CD1-CB 4.4Å; Y329-Q335 HydrophobicContact CD1-CG 3.85Å; Y329-Q335 HydrophobicContact CD2-CB 3.68Å; Y329-Q335 HydrophobicContact CD2-CG 3.87Å; Y329-Q335 HydrophobicContact CE1-CG 4.03Å; Y329-Q335 HydrophobicContact CE2-CB 4.18Å; Y329-Q335 HydrophobicContact CE2-CG 4.04Å; Y329-Q335 HydrophobicContact CG-CB 3.8Å; Y329-Q335 HydrophobicContact CG-CG 3.77Å; S333-Q335 PolarHBondContact O-N 2.57Å; Q335-I337 VanDerWaalsContact C-N 3.28Å; Q335-I337 PolarHBondContact O-N 3.16Å; Q335-A338 WeakPolarHBondContact O-CB 3.48Å; Q335-A338 PolarHBondContact O-N 2.91Å; Q335-A338 VanDerWaalsContact O-N 3.14Å; Q335-A339 PolarHBondContact O-N 3.04Å
336	V	98.7	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-40.5	174.6	166.3	0	0	0	0	110.8	Y171 P322 T325 G330 S333 A338 A339 L340	Y171-V336 HydrophobicContact CE1-CG1 4.09Å; Y171-V336 HydrophobicContact CE2-CG1 4.37Å; P322-V336 HydrophobicContact CB-CG1 4.5Å; T325-V336 HydrophobicContact CG2-CG2 3.93Å; G330-V336 VanDerWaalsContact O-CG2 3.27Å; G330-V336 WeakPolarHBondContact O-CG2 3.41Å; S333-V336 PolarHBondContact O-N 3.02Å; S333-V336 WeakPolarHBondContact OG-CG2 3.46Å; S333-V336 PolarHBondContact OG-N 2.83Å; V336-A338 VanDerWaalsContact C-N 3.31Å; V336-A338 PolarHBondContact O-N 3.24Å; V336-A339 PolarHBondContact O-N 2.91Å; V336-A339 VanDerWaalsContact O-N 3.15Å; V336-L340 HydrophobicContact CG1-CD1 3.91Å; V336-L340 HydrophobicContact CG1-CG 4.15Å; V336-L340 WeakPolarHBondContact O-CB 3.27Å; V336-L340 VanDerWaalsContact O-CG 3.23Å; V336-L340 WeakPolarHBondContact O-CG 3.46Å; V336-L340 PolarHBondContact O-N 3.36Å
337	I	98.5	Very high	98.4	Very high	26 Å²	26	41.8 Å²	41.8	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-43.8	175.3	-59.8	173	0	0	0	111.2	R178 S333 S334 Q335 L340 E341	R178-I337 VanDerWaalsContact CD-CG2 3.46Å; S333-I337 PolarHBondContact O-N 3.29Å; S334-I337 WeakPolarHBondContact O-CB 3.43Å; S334-I337 PolarHBondContact O-N 2.81Å; Q335-I337 VanDerWaalsContact C-N 3.28Å; Q335-I337 PolarHBondContact O-N 3.16Å; I337-L340 WeakPolarHBondContact O-CB 3.29Å; I337-L340 PolarHBondContact O-N 3.2Å; I337-E341 WeakPolarHBondContact O-CG 3.27Å; I337-E341 PolarHBondContact O-N 2.9Å
338	A	98.8	Very high	98.4	Very high	53 Å²	53	40.9 Å²	40.9	44%	0.438	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-37.3	176.3	0	0	0	0	0	112.6	S334 Q335 V336 E341 K342	S334-A338 PolarHBondContact O-N 2.8Å; S334-A338 VanDerWaalsContact O-N 3.07Å; Q335-A338 WeakPolarHBondContact O-CB 3.48Å; Q335-A338 PolarHBondContact O-N 2.91Å; Q335-A338 VanDerWaalsContact O-N 3.14Å; V336-A338 VanDerWaalsContact C-N 3.31Å; V336-A338 PolarHBondContact O-N 3.24Å; A338-E341 PolarHBondContact O-N 3.28Å; A338-K342 WeakPolarHBondContact O-CB 3.5Å; A338-K342 PolarHBondContact O-N 2.91Å
339	A	98.8	Very high	98.4	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-39.9	174.1	0	0	0	0	0	111.8	E321 P322 T325 Q335 V336 K342 V343	E321-A339 HydrophobicContact CB-CB 4.46Å; E321-A339 HydrophobicContact CG-CB 4.49Å; P322-A339 HydrophobicContact CB-CB 4.44Å; T325-A339 HydrophobicContact CG2-CB 4.18Å; Q335-A339 PolarHBondContact O-N 3.04Å; V336-A339 PolarHBondContact O-N 2.91Å; V336-A339 VanDerWaalsContact O-N 3.15Å; A339-K342 WeakPolarHBondContact O-CB 3.3Å; A339-K342 PolarHBondContact O-N 2.58Å; A339-V343 PolarHBondContact O-N 2.66Å
340	L	98.8	Very high	98.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-46.2	174.5	-69.8	171.2	0	0	0	111.8	F167 Y171 H175 L179 P322 V336 I337 K342 V343 D344	F167-L340 HydrophobicContact CD2-CD2 3.76Å; F167-L340 HydrophobicContact CE1-CD2 4.27Å; F167-L340 HydrophobicContact CE2-CD2 3.38Å; F167-L340 HydrophobicContact CG-CD2 4.37Å; F167-L340 HydrophobicContact CZ-CD2 3.67Å; Y171-L340 HydrophobicContact CD1-CD1 4.13Å; Y171-L340 HydrophobicContact CD2-CD1 4.18Å; Y171-L340 HydrophobicContact CD2-CD2 3.82Å; Y171-L340 HydrophobicContact CE2-CD2 4.48Å; Y171-L340 HydrophobicContact CG-CD1 3.84Å; Y171-L340 HydrophobicContact CG-CD2 4.19Å; H175-L340 VanDerWaalsContact CD2-CD1 3.49Å; H175-L340 WeakPolarHBondContact CD2-CD1 3.48Å; L179-L340 HydrophobicContact CD2-CB 3.91Å; L179-L340 WeakPolarHBondContact CD2-O 3.14Å; P322-L340 HydrophobicContact CB-CD2 4.01Å; P322-L340 HydrophobicContact CB-CG 4.37Å; P322-L340 HydrophobicContact CG-CD2 3.81Å; V336-L340 HydrophobicContact CG1-CD1 3.91Å; V336-L340 HydrophobicContact CG1-CG 4.15Å; V336-L340 WeakPolarHBondContact O-CB 3.27Å; V336-L340 VanDerWaalsContact O-CG 3.23Å; V336-L340 WeakPolarHBondContact O-CG 3.46Å; V336-L340 PolarHBondContact O-N 3.36Å; I337-L340 WeakPolarHBondContact O-CB 3.29Å; I337-L340 PolarHBondContact O-N 3.2Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.01Å; L340-V343 VanDerWaalsContact O-CG2 3.24Å; L340-V343 WeakPolarHBondContact O-CG2 3.32Å; L340-V343 PolarHBondContact O-N 3.47Å; L340-D344 PolarHBondContact O-N 2.99Å
341	E	98.7	Very high	98.4	Very high	77 Å²	77	35.3 Å²	35.3	36%	0.36	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-36.8	173.8	-72.8	169.4	177.2	0	0	111.2	R178 I337 A338 S345	R178-E341 HydrophobicContact CB-CG 4.1Å; R178-E341 WeakPolarHBondContact CD-OE1 3.14Å; R178-E341 IonicContact CZ-OE1 2.8Å; R178-E341 IonicContact NE-OE1 2.64Å; R178-E341 IonicContact NH1-OE1 2.87Å; R178-E341 PolarHBondContact NH1-OE1 3.46Å; I337-E341 WeakPolarHBondContact O-CG 3.27Å; I337-E341 PolarHBondContact O-N 2.9Å; A338-E341 PolarHBondContact O-N 3.28Å; E341-S345 PolarHBondContact O-N 2.99Å
342	K	98.6	Very high	98.4	Very high	83 Å²	83	36.8 Å²	36.8	36%	0.361	20%	0.202	S	C	.	.	H	α-helix	trans	-65.5	-47.7	176.5	-179.2	58.4	178.6	172.2	0	112.1	E294 A338 A339 L340 S345 I346	E294-K342 WeakPolarHBondContact OE1-CE 3.35Å; E294-K342 IonicContact OE1-NZ 3.09Å; E294-K342 PolarHBondContact OE1-NZ 2.71Å; A338-K342 WeakPolarHBondContact O-CB 3.5Å; A338-K342 PolarHBondContact O-N 2.91Å; A339-K342 WeakPolarHBondContact O-CB 3.3Å; A339-K342 PolarHBondContact O-N 2.58Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.01Å; K342-S345 WeakPolarHBondContact O-CB 3.31Å; K342-S345 PolarHBondContact O-N 2.86Å; K342-I346 WeakPolarHBondContact O-CG1 3.42Å; K342-I346 PolarHBondContact O-N 2.7Å
343	V	98.6	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-32.5	178	-61.8	0	0	0	0	112.3	L164 F167 F293 L319 E321 A339 L340 S345 I346 L347	L164-V343 HydrophobicContact CD1-CG2 4.28Å; L164-V343 HydrophobicContact CD2-CB 4.24Å; F167-V343 HydrophobicContact CD2-CG2 4.44Å; F167-V343 HydrophobicContact CE2-CG2 4.22Å; F293-V343 HydrophobicContact CE2-CG1 4.45Å; L319-V343 HydrophobicContact CD1-CG1 4.29Å; E321-V343 HydrophobicContact CB-CG1 3.81Å; A339-V343 PolarHBondContact O-N 2.66Å; L340-V343 VanDerWaalsContact O-CG2 3.24Å; L340-V343 WeakPolarHBondContact O-CG2 3.32Å; L340-V343 PolarHBondContact O-N 3.47Å; V343-S345 VanDerWaalsContact C-N 3.34Å; V343-S345 PolarHBondContact O-N 3.3Å; V343-I346 PolarHBondContact O-N 3Å; V343-L347 WeakPolarHBondContact O-CG 3.45Å; V343-L347 PolarHBondContact O-N 3.44Å
344	D	98.8	Very high	98.3	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-44.3	170.1	-172.3	84.2	0	0	0	111.1	L179 P180 V181 I182 L340 L347 G348	L179-D344 WeakPolarHBondContact CA-OD1 3.39Å; L179-D344 HydrophobicContact CD2-CB 3.89Å; P180-D344 VanDerWaalsContact CD-OD2 3.25Å; P180-D344 WeakPolarHBondContact CD-OD2 3.48Å; V181-D344 WeakPolarHBondContact CA-OD1 3.42Å; V181-D344 WeakPolarHBondContact CB-OD1 3.33Å; V181-D344 WeakPolarHBondContact CG2-O 3.44Å; V181-D344 WeakPolarHBondContact CG2-OD2 3.31Å; V181-D344 PolarHBondContact N-OD1 2.91Å; V181-D344 PolarHBondContact N-OD2 3.29Å; V181-D344 VanDerWaalsContact N-OD2 3.11Å; I182-D344 HydrophobicContact CD1-CB 4.17Å; I182-D344 WeakPolarHBondContact CG1-OD1 3.5Å; I182-D344 PolarHBondContact N-OD1 3.18Å; L340-D344 PolarHBondContact O-N 2.99Å; D344-L347 PolarHBondContact O-N 3.08Å; D344-G348 PolarHBondContact O-N 3.42Å
345	S	98.3	Very high	98.2	Very high	60 Å²	60	27.4 Å²	27.4	42%	0.42	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-44.8	175.6	-171.8	0	0	0	0	112.4	E341 K342 V343 L347 G348 D349	E341-S345 PolarHBondContact O-N 2.99Å; K342-S345 WeakPolarHBondContact O-CB 3.31Å; K342-S345 PolarHBondContact O-N 2.86Å; V343-S345 VanDerWaalsContact C-N 3.34Å; V343-S345 PolarHBondContact O-N 3.3Å; S345-L347 VanDerWaalsContact C-N 3.32Å; S345-L347 PolarHBondContact O-N 3.31Å; S345-G348 WeakPolarHBondContact O-CA 3.39Å; S345-G348 PolarHBondContact O-N 2.74Å; S345-D349 PolarHBondContact O-N 3.36Å
346	I	98.5	Very high	98	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-39.9	177.6	-68.3	-63.4	0	0	0	111	F293 E294 L297 L319 K342 V343 G348 D349 L350	F293-I346 HydrophobicContact CB-CD1 3.78Å; F293-I346 HydrophobicContact CB-CG1 3.96Å; F293-I346 HydrophobicContact CB-CG2 4.27Å; F293-I346 HydrophobicContact CD2-CG1 4.15Å; E294-I346 HydrophobicContact CG-CD1 3.88Å; L297-I346 HydrophobicContact CD1-CG2 3.63Å; L297-I346 WeakPolarHBondContact CD1-O 3.38Å; L297-I346 HydrophobicContact CG-CG2 4.14Å; L319-I346 HydrophobicContact CD1-CB 4.5Å; L319-I346 HydrophobicContact CD1-CG2 3.79Å; K342-I346 WeakPolarHBondContact O-CG1 3.42Å; K342-I346 PolarHBondContact O-N 2.7Å; V343-I346 PolarHBondContact O-N 3Å; I346-G348 VanDerWaalsContact C-N 3.26Å; I346-G348 PolarHBondContact O-N 2.6Å; I346-D349 PolarHBondContact O-N 3.23Å; I346-L350 PolarHBondContact O-N 3.4Å
347	L	98.6	Very high	97.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-31.1	171.9	-70.8	177.3	0	0	0	112.2	V162 L164 V181 I182 V343 D344 S345 L350 M351 I367	V162-L347 HydrophobicContact CG1-CD2 4.1Å; L164-L347 HydrophobicContact CD1-CD1 4.13Å; V181-L347 HydrophobicContact CG1-CB 3.96Å; I182-L347 HydrophobicContact CD1-CD1 3.97Å; I182-L347 HydrophobicContact CG1-CD1 3.54Å; V343-L347 WeakPolarHBondContact O-CG 3.45Å; V343-L347 PolarHBondContact O-N 3.44Å; D344-L347 PolarHBondContact O-N 3.08Å; S345-L347 VanDerWaalsContact C-N 3.32Å; S345-L347 PolarHBondContact O-N 3.31Å; L347-L350 HydrophobicContact CD2-CD2 4.1Å; L347-L350 WeakPolarHBondContact O-CB 3.42Å; L347-L350 PolarHBondContact O-N 2.92Å; L347-M351 WeakPolarHBondContact O-CG 3.24Å; L347-M351 PolarHBondContact O-N 3.07Å; L347-I367 HydrophobicContact CD1-CD1 3.93Å; L347-I367 HydrophobicContact CD1-CG2 4.48Å; L347-I367 HydrophobicContact CD2-CD1 3.95Å
348	G	98.1	Very high	97.7	Very high	6 Å²	6	36 Å²	36	6%	0.062	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-49	171.5	0	0	0	0	0	111.7	D344 S345 I346 L350 M351 D352	D344-G348 PolarHBondContact O-N 3.42Å; S345-G348 WeakPolarHBondContact O-CA 3.39Å; S345-G348 PolarHBondContact O-N 2.74Å; I346-G348 VanDerWaalsContact C-N 3.26Å; I346-G348 PolarHBondContact O-N 2.6Å; G348-L350 VanDerWaalsContact C-N 3.3Å; G348-L350 PolarHBondContact O-N 3.27Å; G348-M351 PolarHBondContact O-N 2.62Å; G348-D352 PolarHBondContact O-N 3.22Å
349	D	98.1	Very high	97.6	Very high	73 Å²	73	33.7 Å²	33.7	39%	0.39	18%	0.176	S	C	.	.	H	α-helix	trans	-62.1	-38.6	176.5	-62.1	-28	0	0	0	111.4	L297 S345 I346 G353	L297-D349 HydrophobicContact CD1-CB 4.01Å; S345-D349 PolarHBondContact O-N 3.36Å; I346-D349 PolarHBondContact O-N 3.23Å; D349-G353 PolarHBondContact O-N 3.05Å
350	L	98.5	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-53.2	172.1	175.5	60.2	0	0	0	110.9	L160 V162 L297 F301 I346 L347 G348 G353 L354 L365	L160-L350 HydrophobicContact CD2-CD1 3.78Å; L160-L350 HydrophobicContact CD2-CD2 4Å; L160-L350 HydrophobicContact CD2-CG 4.47Å; V162-L350 HydrophobicContact CG2-CD2 4.05Å; L297-L350 HydrophobicContact CD1-CB 4.49Å; L297-L350 HydrophobicContact CD2-CB 3.94Å; L297-L350 HydrophobicContact CD2-CD1 3.97Å; L297-L350 HydrophobicContact CD2-CG 4.39Å; F301-L350 HydrophobicContact CE1-CD1 4Å; F301-L350 HydrophobicContact CZ-CD1 4.05Å; I346-L350 PolarHBondContact O-N 3.4Å; L347-L350 HydrophobicContact CD2-CD2 4.1Å; L347-L350 WeakPolarHBondContact O-CB 3.42Å; L347-L350 PolarHBondContact O-N 2.92Å; G348-L350 VanDerWaalsContact C-N 3.3Å; G348-L350 PolarHBondContact O-N 3.27Å; L350-G353 PolarHBondContact O-N 2.93Å; L350-L354 HydrophobicContact CD1-CD1 4.38Å; L350-L354 HydrophobicContact CD1-CG 4.29Å; L350-L354 HydrophobicContact CG-CD1 4.48Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 3.32Å; L350-L365 HydrophobicContact CD2-CD1 3.97Å; L350-L365 HydrophobicContact CD2-CD2 4.46Å
351	M	98.3	Very high	97.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-39.7	-176.8	-68.6	-50.1	-63.7	0	0	113	W138 L185 L347 G348 G353 L354 F355 L365 Y498	W138-M351 HydrophobicContact CB-CB 4.14Å; W138-M351 HydrophobicContact CD2-CB 3.63Å; W138-M351 HydrophobicContact CD2-CE 4.05Å; W138-M351 HydrophobicContact CD2-CG 4.06Å; W138-M351 VanDerWaalsContact CE2-CE 3.46Å; W138-M351 HydrophobicContact CE3-CB 3.74Å; W138-M351 HydrophobicContact CE3-CG 4.04Å; W138-M351 HydrophobicContact CG-CB 3.79Å; W138-M351 HydrophobicContact CG-CE 4.29Å; W138-M351 HydrophobicContact CH2-CG 4.45Å; W138-M351 HydrophobicContact CZ2-CE 3.83Å; W138-M351 HydrophobicContact CZ2-CG 4.46Å; W138-M351 HydrophobicContact CZ3-CB 4.42Å; W138-M351 HydrophobicContact CZ3-CG 4.24Å; W138-M351 VanDerWaalsContact NE1-CE 3.33Å; L185-M351 HydrophobicContact CD2-CE 4.1Å; L185-M351 HydrophobicContact CD2-CG 4.21Å; L185-M351 HydrophobicContact CD2-SD 3.98Å; L347-M351 WeakPolarHBondContact O-CG 3.24Å; L347-M351 PolarHBondContact O-N 3.07Å; G348-M351 PolarHBondContact O-N 2.62Å; M351-G353 VanDerWaalsContact C-N 3.34Å; M351-L354 PolarHBondContact O-N 2.84Å; M351-L354 HydrophobicContact SD-CD1 4.25Å; M351-F355 VanDerWaalsContact O-CB 3.32Å; M351-F355 WeakPolarHBondContact O-CB 3.36Å; M351-F355 PolarHBondContact O-N 2.84Å; M351-L365 HydrophobicContact SD-CD2 3.62Å; M351-Y498 HydrophobicContact CE-CD1 3.88Å; M351-Y498 HydrophobicContact CE-CE1 3.49Å; M351-Y498 VanDerWaalsContact CE-CE1 3.49Å
352	D	97.3	Very high	97.2	Very high	33 Å²	33	30.8 Å²	30.8	18%	0.176	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-38.1	174.7	-76.7	-15.9	0	0	0	111.2	S136 L137 W138 G348 F355 T356	S136-D352 VanDerWaalsContact CA-OD2 3.29Å; S136-D352 WeakPolarHBondContact CA-OD2 3.47Å; S136-D352 WeakPolarHBondContact CB-OD2 3.35Å; S136-D352 VanDerWaalsContact OG-CG 3.3Å; S136-D352 PolarHBondContact OG-OD1 3.04Å; S136-D352 PolarHBondContact OG-OD2 2.64Å; L137-D352 PolarHBondContact N-OD1 3.15Å; L137-D352 VanDerWaalsContact N-OD1 3.16Å; W138-D352 VanDerWaalsContact CB-OD1 3.29Å; W138-D352 WeakPolarHBondContact CB-OD1 3.47Å; W138-D352 PolarHBondContact N-OD1 3.39Å; G348-D352 PolarHBondContact O-N 3.22Å; D352-F355 PolarHBondContact O-N 3.46Å; D352-T356 WeakPolarHBondContact O-CG2 2.95Å; D352-T356 PolarHBondContact O-N 3.03Å; D352-T356 PolarHBondContact O-OG1 2.98Å
353	G	97.1	Very high	97.2	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-35.7	174.7	0	0	0	0	0	113.7	D349 L350 M351 T356 R357	D349-G353 PolarHBondContact O-N 3.05Å; L350-G353 PolarHBondContact O-N 2.93Å; M351-G353 VanDerWaalsContact C-N 3.34Å; G353-T356 WeakPolarHBondContact CA-OG1 3.46Å; G353-T356 PolarHBondContact O-OG1 2.66Å; G353-T356 VanDerWaalsContact O-OG1 3.11Å; G353-R357 WeakPolarHBondContact O-CD 3.23Å; G353-R357 WeakPolarHBondContact O-CG 3.49Å; G353-R357 PolarHBondContact O-NH1 3.49Å
354	L	97.6	Very high	97.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-38.7	170	-68.7	-177.9	0	0	0	111.8	F301 L304 L350 M351 R357 D358 L359 H360 V363	F301-L354 HydrophobicContact CE1-CD2 4.17Å; F301-L354 HydrophobicContact CE1-CG 4.35Å; L304-L354 HydrophobicContact CD1-CD2 3.86Å; L350-L354 HydrophobicContact CD1-CD1 4.38Å; L350-L354 HydrophobicContact CD1-CG 4.29Å; L350-L354 HydrophobicContact CG-CD1 4.48Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 3.32Å; M351-L354 PolarHBondContact O-N 2.84Å; M351-L354 HydrophobicContact SD-CD1 4.25Å; L354-R357 PolarHBondContact O-N 3.49Å; L354-D358 PolarHBondContact O-N 2.85Å; L354-L359 HydrophobicContact CB-CB 4.41Å; L354-L359 HydrophobicContact CD2-CB 4.03Å; L354-L359 HydrophobicContact CD2-CD1 4.4Å; L354-L359 WeakPolarHBondContact O-CA 3.38Å; L354-L359 PolarHBondContact O-N 3.45Å; L354-H360 HydrophobicContact CB-CB 4.43Å; L354-H360 PolarHBondContact O-N 3.43Å; L354-V363 HydrophobicContact CD1-CB 4.3Å; L354-V363 HydrophobicContact CD1-CG1 4.31Å; L354-V363 HydrophobicContact CD1-CG2 4.43Å; L354-V363 HydrophobicContact CD2-CG2 3.93Å
355	F	95.7	Very high	97.2	Very high	56 Å²	56	27 Å²	27	25%	0.246	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-49.3	179.4	-173.3	-90.3	0	0	0	111.7	L137 W138 F141 M351 D352 R357 D358 H360	L137-F355 HydrophobicContact CB-CD1 4.19Å; L137-F355 HydrophobicContact CB-CE1 4.4Å; W138-F355 HydrophobicContact CB-CB 4.23Å; W138-F355 HydrophobicContact CB-CD2 4.47Å; W138-F355 HydrophobicContact CB-CG 4.48Å; F141-F355 HydrophobicContact CB-CE2 4.14Å; F141-F355 AromaticContact CD2-CE2 3.81Å; F141-F355 HydrophobicContact CD2-CE2 3.81Å; F141-F355 HydrophobicContact CE2-CE2 4.47Å; F141-F355 HydrophobicContact CG-CE2 4.1Å; M351-F355 VanDerWaalsContact O-CB 3.32Å; M351-F355 WeakPolarHBondContact O-CB 3.36Å; M351-F355 PolarHBondContact O-N 2.84Å; D352-F355 PolarHBondContact O-N 3.46Å; F355-R357 PolarHBondContact O-N 2.04Å; F355-R357 VanDerWaalsContact O-N 3.12Å; F355-D358 PolarHBondContact O-N 3.47Å; F355-H360 HydrophobicContact CB-CB 4.29Å; F355-H360 HydrophobicContact CD2-CB 4.26Å; F355-H360 AromaticContact CD2-CD2 3.66Å; F355-H360 AromaticContact CD2-CE1 3.64Å; F355-H360 AromaticContact CD2-CG 3.57Å; F355-H360 AromaticContact CD2-ND1 3.55Å; F355-H360 AromaticContact CD2-NE2 3.73Å; F355-H360 AromaticContact CE2-CE1 3.72Å; F355-H360 AromaticContact CE2-NE2 3.66Å
356	T	95	Very high	97.2	Very high	84 Å²	84	24.2 Å²	24.2	52%	0.515	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.1	179.4	50.6	0	0	0	0	114.6	L137 D352 G353	L137-T356 HydrophobicContact CD1-CG2 4.23Å; D352-T356 WeakPolarHBondContact O-CG2 2.95Å; D352-T356 PolarHBondContact O-N 3.03Å; D352-T356 PolarHBondContact O-OG1 2.98Å; G353-T356 WeakPolarHBondContact CA-OG1 3.46Å; G353-T356 PolarHBondContact O-OG1 2.66Å; G353-T356 VanDerWaalsContact O-OG1 3.11Å
357	R	94.6	Very high	97.2	Very high	93 Å²	93	24.2 Å²	24.2	35%	0.351	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8.6	175.9	-68.6	171.1	177.5	70.1	0	113.2	G353 L354 F355 L359	G353-R357 WeakPolarHBondContact O-CD 3.23Å; G353-R357 WeakPolarHBondContact O-CG 3.49Å; G353-R357 PolarHBondContact O-NH1 3.49Å; L354-R357 PolarHBondContact O-N 3.49Å; F355-R357 PolarHBondContact O-N 2.04Å; F355-R357 VanDerWaalsContact O-N 3.12Å; R357-L359 HydrophobicContact CB-CD1 4.02Å; R357-L359 HydrophobicContact CB-CG 4.11Å; R357-L359 PolarHBondContact O-N 2.85Å
358	D	94.9	Very high	97.2	Very high	109 Å²	109	24.2 Å²	24.2	58%	0.583	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	27.7	-173.7	-61.2	-47.2	0	0	0	114.1	L354 F355	L354-D358 PolarHBondContact O-N 2.85Å; F355-D358 PolarHBondContact O-N 3.47Å
359	L	96.9	Very high	97.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.122	C	C	.	.			trans	-102.5	-11.5	-178.1	-70.8	176.2	0	0	0	114.2	P151 F154 L304 L354 R357 Q361 C362 V363	P151-L359 HydrophobicContact CG-CD2 3.69Å; P151-L359 HydrophobicContact CG-CG 4.44Å; F154-L359 HydrophobicContact CD1-CD2 4.22Å; F154-L359 HydrophobicContact CD2-CD2 3.98Å; F154-L359 HydrophobicContact CE1-CD2 3.91Å; F154-L359 HydrophobicContact CE2-CD1 4.46Å; F154-L359 HydrophobicContact CE2-CD2 3.66Å; F154-L359 HydrophobicContact CG-CD2 4.22Å; F154-L359 HydrophobicContact CZ-CD1 3.96Å; F154-L359 HydrophobicContact CZ-CD2 3.61Å; F154-L359 HydrophobicContact CZ-CG 4.42Å; L304-L359 HydrophobicContact CB-CD1 4.28Å; L304-L359 HydrophobicContact CD1-CD1 4.41Å; L304-L359 HydrophobicContact CD2-CD1 4.36Å; L354-L359 HydrophobicContact CB-CB 4.41Å; L354-L359 HydrophobicContact CD2-CB 4.03Å; L354-L359 HydrophobicContact CD2-CD1 4.4Å; L354-L359 WeakPolarHBondContact O-CA 3.38Å; L354-L359 PolarHBondContact O-N 3.45Å; R357-L359 HydrophobicContact CB-CD1 4.02Å; R357-L359 HydrophobicContact CB-CG 4.11Å; R357-L359 PolarHBondContact O-N 2.85Å; L359-Q361 PolarHBondContact O-N 3.38Å; L359-Q361 VanDerWaalsContact O-N 3.16Å; L359-C362 HydrophobicContact CD2-CB 4.07Å; L359-C362 WeakPolarHBondContact O-CA 3.34Å; L359-C362 WeakPolarHBondContact O-CB 3.3Å; L359-C362 PolarHBondContact O-N 3.19Å; L359-V363 HydrophobicContact CB-CG2 3.96Å; L359-V363 PolarHBondContact O-N 3.07Å
360	H	94.5	Very high	97.3	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23	-178.4	68.4	-74.6	0	0	0	114.7	F141 L354 F355	F141-H360 AromaticContact CE2-NE2 3.72Å; F141-H360 AromaticContact CZ-CD2 3.98Å; F141-H360 AromaticContact CZ-NE2 3.68Å; L354-H360 HydrophobicContact CB-CB 4.43Å; L354-H360 PolarHBondContact O-N 3.43Å; F355-H360 HydrophobicContact CB-CB 4.29Å; F355-H360 HydrophobicContact CD2-CB 4.26Å; F355-H360 AromaticContact CD2-CD2 3.66Å; F355-H360 AromaticContact CD2-CE1 3.64Å; F355-H360 AromaticContact CD2-CG 3.57Å; F355-H360 AromaticContact CD2-ND1 3.55Å; F355-H360 AromaticContact CD2-NE2 3.73Å; F355-H360 AromaticContact CE2-CE1 3.72Å; F355-H360 AromaticContact CE2-NE2 3.66Å
361	Q	95.2	Very high	97.3	Very high	14 Å²	14	20.4 Å²	20.4	7%	0.065	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.5	173	-79.2	174.5	79	0	0	112.9	F141 I145 K149 L359	F141-Q361 HydrophobicContact CZ-CG 4.31Å; I145-Q361 HydrophobicContact CG1-CG 4.18Å; K149-Q361 HydrophobicContact CB-CB 4.02Å; K149-Q361 PolarHBondContact N-O 3.04Å; L359-Q361 PolarHBondContact O-N 3.38Å; L359-Q361 VanDerWaalsContact O-N 3.16Å
362	C	97.4	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-49.8	-179.4	-177.7	0	0	0	0	112	K149 C150 P157 L359 P500	K149-C362 WeakPolarHBondContact O-CB 3.34Å; C150-C362 VanDerWaalsContact CA-SG 3.53Å; C150-C362 HydrophobicContact CB-CB 3.91Å; C150-C362 WeakPolarHBondContact CB-SG 3.31Å; C150-C362 VanDerWaalsContact SG-CA 3.56Å; C150-C362 WeakPolarHBondContact SG-CB 2.92Å; C150-C362 CovalentContact SG-SG 2.04Å; C150-C362 PolarHBondContact SG-SG 3.23Å; P157-C362 VanDerWaalsContact CB-O 3.24Å; P157-C362 WeakPolarHBondContact CB-O 3.45Å; L359-C362 HydrophobicContact CD2-CB 4.07Å; L359-C362 WeakPolarHBondContact O-CA 3.34Å; L359-C362 WeakPolarHBondContact O-CB 3.3Å; L359-C362 PolarHBondContact O-N 3.19Å; C362-P500 VanDerWaalsContact O-CG 3.32Å; C362-P500 WeakPolarHBondContact O-CG 3.2Å
363	V	98.4	Very high	97.4	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.03	10%	0.095	C	C	.	.			trans	-69	133.7	-176.1	174.3	0	0	0	0	110.4	P158 L160 L354 L359	P158-V363 HydrophobicContact CG-CB 4.31Å; P158-V363 HydrophobicContact CG-CG2 3.65Å; L160-V363 HydrophobicContact CB-CG1 4.05Å; L354-V363 HydrophobicContact CD1-CB 4.3Å; L354-V363 HydrophobicContact CD1-CG1 4.31Å; L354-V363 HydrophobicContact CD1-CG2 4.43Å; L354-V363 HydrophobicContact CD2-CG2 3.93Å; L359-V363 HydrophobicContact CB-CG2 3.96Å; L359-V363 PolarHBondContact O-N 3.07Å
364	N	98.8	Very high	97.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.1	160	-70.2	-50.6	0	0	0	108.2	P158 L159 L160 P500 G501 F502	P158-N364 PolarHBondContact O-N 3.31Å; L159-N364 CarbonylContact C-O 3.36Å; L159-N364 WeakPolarHBondContact CA-O 3.33Å; L159-N364 HydrophobicContact CD1-CB 3.95Å; L159-N364 WeakPolarHBondContact CD1-O 3.17Å; L160-N364 PolarHBondContact N-O 3.12Å; N364-P500 VanDerWaalsContact OD1-CD 3.29Å; N364-P500 WeakPolarHBondContact OD1-CD 3.34Å; N364-G501 WeakPolarHBondContact OD1-CA 3.44Å; N364-G501 PolarHBondContact OD1-N 3.2Å; N364-F502 HydrophobicContact CB-CE2 4.41Å
365	L	98.8	Very high	97.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.9	175.7	-176.2	64.8	0	0	0	109.3	L160 V162 L185 L350 M351 I367 G497 Y498 F502	L160-L365 HydrophobicContact CB-CD1 4.16Å; L160-L365 HydrophobicContact CD2-CD1 3.87Å; L160-L365 HydrophobicContact CG-CD1 3.9Å; V162-L365 HydrophobicContact CG2-CD1 3.6Å; L185-L365 HydrophobicContact CD2-CD2 4.35Å; L350-L365 HydrophobicContact CD2-CD1 3.97Å; L350-L365 HydrophobicContact CD2-CD2 4.46Å; M351-L365 HydrophobicContact SD-CD2 3.62Å; L365-I367 HydrophobicContact CD1-CG1 4.32Å; L365-I367 HydrophobicContact CD2-CD1 3.87Å; L365-I367 HydrophobicContact CD2-CG1 4.05Å; L365-I367 HydrophobicContact CG-CD1 4.26Å; L365-I367 HydrophobicContact CG-CG1 3.87Å; L365-G497 CarbonylContact O-C 3.58Å; L365-G497 WeakPolarHBondContact O-CA 3.44Å; L365-Y498 WeakPolarHBondContact CB-O 3.11Å; L365-Y498 PolarHBondContact N-O 3.18Å; L365-Y498 PolarHBondContact O-N 3.46Å; L365-F502 WeakPolarHBondContact O-CE2 3.12Å
366	M	98.9	Very high	97.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.4	173.5	-175.8	-175.6	-65	0	0	108.3	L159 L160 L161 V162 V368 F495 I496 F502 L516 L519 M520 L523	L159-M366 HydrophobicContact CD1-CB 4.31Å; L160-M366 PolarHBondContact O-N 3.45Å; L161-M366 CarbonylContact C-O 3.49Å; L161-M366 WeakPolarHBondContact CA-O 3.38Å; L161-M366 HydrophobicContact CD1-CB 4.12Å; L161-M366 HydrophobicContact CD1-CG 3.9Å; L161-M366 HydrophobicContact CD1-SD 3.72Å; V162-M366 PolarHBondContact N-O 2.84Å; M366-V368 HydrophobicContact CG-CG1 4.07Å; M366-F495 HydrophobicContact CE-CE2 4.41Å; M366-F495 HydrophobicContact CG-CD2 4.35Å; M366-F495 HydrophobicContact CG-CE2 3.79Å; M366-F495 HydrophobicContact SD-CE2 4.14Å; M366-I496 WeakPolarHBondContact CA-O 3.27Å; M366-F502 HydrophobicContact CE-CZ 4Å; M366-L516 HydrophobicContact SD-CD1 4.37Å; M366-L516 HydrophobicContact SD-CD2 4.1Å; M366-L519 HydrophobicContact CE-CD2 3.69Å; M366-L519 HydrophobicContact CE-CG 3.89Å; M366-M520 HydrophobicContact CE-CG 3.63Å; M366-M520 HydrophobicContact SD-CG 3.94Å; M366-M520 HydrophobicContact SD-SD 4.37Å; M366-L523 HydrophobicContact CE-CD1 3.86Å
367	I	98.9	Very high	97.5	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	178.7	-49.5	178.6	0	0	0	108.6	V162 L164 L185 L347 L365 I494 F495 I496	V162-I367 HydrophobicContact CB-CG1 4.34Å; V162-I367 CarbonylContact O-C 3.59Å; V162-I367 WeakPolarHBondContact O-CA 3.33Å; L164-I367 HydrophobicContact CD1-CG2 4.21Å; L164-I367 HydrophobicContact CG-CG2 4.25Å; L185-I367 HydrophobicContact CD1-CD1 3.57Å; L347-I367 HydrophobicContact CD1-CD1 3.93Å; L347-I367 HydrophobicContact CD1-CG2 4.48Å; L347-I367 HydrophobicContact CD2-CD1 3.95Å; L365-I367 HydrophobicContact CD1-CG1 4.32Å; L365-I367 HydrophobicContact CD2-CD1 3.87Å; L365-I367 HydrophobicContact CD2-CG1 4.05Å; L365-I367 HydrophobicContact CG-CD1 4.26Å; L365-I367 HydrophobicContact CG-CG1 3.87Å; I367-I494 HydrophobicContact CG2-CD1 4.37Å; I367-F495 CarbonylContact O-C 3.59Å; I367-F495 WeakPolarHBondContact O-CA 3.17Å; I367-I496 HydrophobicContact CB-CB 4.19Å; I367-I496 PolarHBondContact N-O 3.38Å; I367-I496 PolarHBondContact O-N 3.24Å
368	V	98.9	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	167.5	-177	-61.1	0	0	0	0	111	L161 V162 S163 L164 M195 I210 W269 M366 I494 F495 L516	L161-V368 HydrophobicContact CD1-CG1 4.35Å; L161-V368 HydrophobicContact CD1-CG2 3.92Å; V162-V368 PolarHBondContact O-N 3.16Å; S163-V368 WeakPolarHBondContact CA-O 2.91Å; L164-V368 PolarHBondContact N-O 3.41Å; M195-V368 HydrophobicContact CE-CB 4.21Å; M195-V368 HydrophobicContact CE-CG1 4.4Å; I210-V368 HydrophobicContact CD1-CG2 4.26Å; W269-V368 HydrophobicContact CH2-CG2 4.41Å; M366-V368 HydrophobicContact CG-CG1 4.07Å; V368-I494 WeakPolarHBondContact CA-O 3.42Å; V368-F495 HydrophobicContact CG1-CD2 3.96Å; V368-L516 HydrophobicContact CG1-CD1 3.77Å
369	S	98.9	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.			trans	-123.6	161.7	152.1	58.3	0	0	0	0	109.5	L164 F167 M195 A493 I494	L164-S369 WeakPolarHBondContact O-CB 3.38Å; F167-S369 WeakPolarHBondContact O-CB 3.5Å; F167-S369 PolarHBondContact O-OG 3.11Å; M195-S369 WeakPolarHBondContact CE-O 3.34Å; S369-A493 WeakPolarHBondContact O-CB 3.41Å; S369-A493 VanDerWaalsContact OG-CA 3.29Å; S369-A493 WeakPolarHBondContact OG-CA 3.47Å; S369-A493 WeakPolarHBondContact OG-CB 3.49Å; S369-I494 PolarHBondContact N-O 2.95Å; S369-I494 PolarHBondContact OG-N 3.07Å
370	D	98.8	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-84.5	-34.4	178.9	58.4	-23.9	0	0	0	112.9	G166 P197 T203 N206 H207	G166-D370 PolarHBondContact N-OD1 2.98Å; P197-D370 WeakPolarHBondContact CB-O 3.39Å; T203-D370 WeakPolarHBondContact CA-OD2 3.06Å; N206-D370 HydrophobicContact CB-CB 3.83Å; N206-D370 VanDerWaalsContact CB-O 3.26Å; N206-D370 WeakPolarHBondContact CB-O 3.24Å; N206-D370 VanDerWaalsContact CG-O 3.27Å; N206-D370 PolarHBondContact OD1-O 3.04Å; H207-D370 WeakPolarHBondContact CE1-CB 3.37Å; H207-D370 IonicContact CE1-OD1 3.22Å; H207-D370 IonicContact CE1-OD2 2.99Å; H207-D370 PolarHBondContact CE1-OD2 2.9Å; H207-D370 VanDerWaalsContact ND1-CB 3.35Å; H207-D370 WeakPolarHBondContact ND1-CB 3.36Å; H207-D370 IonicContact ND1-OD2 3.38Å; H207-D370 PolarHBondContact ND1-OD2 3.04Å
371	H	98.9	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.			trans	-158.9	175.9	175.8	53.6	73.3	0	0	0	111.9	D165 G166 T201 T203 D323 H482	D165-H371 IonicContact OD1-CE1 2.75Å; D165-H371 IonicContact OD1-NE2 3.47Å; G166-H371 CarbonylContact C-O 3.58Å; G166-H371 WeakPolarHBondContact CA-O 3.37Å; T201-H371 PolarHBondContact O-CD2 2.89Å; T203-H371 PolarHBondContact OG1-NE2 3.11Å; D323-H371 IonicContact OD1-CE1 3.89Å; H371-H482 AromaticContact CD2-CE1 3.87Å; H371-H482 AromaticContact CD2-ND1 3.58Å; H371-H482 AromaticContact CE1-CD2 3.56Å; H371-H482 AromaticContact CE1-CE1 3.27Å; H371-H482 PolarHBondContact CE1-CE1 3.21Å; H371-H482 AromaticContact CE1-CG 3.39Å; H371-H482 AromaticContact CE1-ND1 3.21Å; H371-H482 PolarHBondContact CE1-ND1 2.78Å; H371-H482 AromaticContact CE1-NE2 3.61Å; H371-H482 AromaticContact CG-ND1 3.75Å; H371-H482 AromaticContact ND1-CG 3.52Å; H371-H482 AromaticContact ND1-ND1 3.5Å; H371-H482 AromaticContact NE2-CE1 3.04Å; H371-H482 PolarHBondContact NE2-CE1 3.26Å; H371-H482 AromaticContact NE2-CG 3.85Å; H371-H482 AromaticContact NE2-ND1 3.16Å; H371-H482 PolarHBondContact NE2-ND1 3.27Å; H371-H482 VanDerWaalsContact NE2-ND1 3.16Å; H371-H482 AromaticContact NE2-NE2 3.77Å
372	G	98.6	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.			trans	-91	-155.4	167.7	0	0	0	0	0	114.2	N490 M491	G372-N490 CarbonylContact C-O 3.49Å; G372-N490 VanDerWaalsContact CA-O 3.25Å; G372-N490 WeakPolarHBondContact CA-O 3.31Å; G372-M491 PolarHBondContact N-O 3.47Å
373	M	98.7	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.			trans	-151	136.4	-176.1	-174.1	62.6	65.8	0	0	111.2	D323 P331 F481 N490	D323-M373 HydrophobicContact CB-CE 4.5Å; D323-M373 WeakPolarHBondContact OD1-CE 3.47Å; P331-M373 HydrophobicContact CB-CB 4.31Å; P331-M373 HydrophobicContact CB-CG 4.05Å; P331-M373 HydrophobicContact CG-CG 4.36Å; M373-F481 PolarHBondContact SD-N 2.77Å; M373-F481 VanDerWaalsContact SD-N 3.43Å; M373-N490 PolarHBondContact N-O 2.89Å
374	E	98.3	Very high	97.1	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.079	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.6	179.7	-177.9	60.2	-82.1	0	0	111.2	G480 F481 N490 M491	E374-G480 CarbonylContact O-C 3.41Å; E374-G480 WeakPolarHBondContact O-CA 3.4Å; E374-F481 WeakPolarHBondContact CA-O 3.42Å; E374-F481 HydrophobicContact CB-CD1 4.34Å; E374-F481 HydrophobicContact CB-CE1 4.04Å; E374-F481 HydrophobicContact CB-CE2 4.22Å; E374-F481 HydrophobicContact CB-CZ 3.98Å; E374-F481 WeakPolarHBondContact CB-O 3.47Å; E374-F481 HydrophobicContact CG-CD1 4.36Å; E374-F481 HydrophobicContact CG-CE1 3.61Å; E374-F481 HydrophobicContact CG-CE2 4.2Å; E374-F481 HydrophobicContact CG-CZ 3.51Å; E374-F481 PolarHBondContact N-O 3.47Å; E374-F481 PolarHBondContact O-N 2.9Å; E374-N490 HydrophobicContact CB-CB 4.46Å; E374-N490 PolarHBondContact OE1-ND2 2.77Å; E374-N490 PolarHBondContact OE2-ND2 2.89Å; E374-M491 HydrophobicContact CB-CE 3.73Å
375	E	97.9	Very high	97	Very high	63 Å²	63	24 Å²	24	29%	0.294	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.8	177.6	-173.9	73.8	-147.9	0	0	111.8	P331 R380 F481	P331-E375 VanDerWaalsContact CD-OE2 3.23Å; P331-E375 WeakPolarHBondContact CD-OE2 3.31Å; P331-E375 HydrophobicContact CG-CB 4.19Å; E375-R380 PolarHBondContact O-NH2 3.5Å; E375-F481 WeakPolarHBondContact O-CE1 3.5Å
376	A	96.8	Very high	96.8	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.041	15%	0.149	C	C	.	.			trans	-79.9	144.6	176.8	0	0	0	0	0	112.4	G479 F481	A376-G479 WeakPolarHBondContact CB-O 3.41Å; A376-G479 PolarHBondContact N-O 3.48Å; A376-F481 HydrophobicContact CB-CD1 3.84Å
377	S	95.2	Very high	96.5	Very high	17 Å²	17	30.7 Å²	30.7	12%	0.119	16%	0.158	C	C	.	.			trans	-152.7	134.2	173.2	156.2	0	0	0	0	110.4	Q379 R380 C477	S377-Q379 PolarHBondContact O-N 3.04Å; S377-Q379 WeakPolarHBondContact OG-CB 3.31Å; S377-Q379 PolarHBondContact OG-N 3.31Å; S377-Q379 PolarHBondContact OG-OE1 3Å; S377-R380 CarbonylContact O-C 3.36Å; S377-R380 PolarHBondContact O-N 3.5Å; S377-R380 PolarHBondContact OG-N 3.3Å; S377-C477 CarbonylContact C-O 3.48Å; S377-C477 VanDerWaalsContact CA-O 3.32Å; S377-C477 WeakPolarHBondContact CA-O 3.33Å
378	C	90.1	Very high	96.3	Very high	52 Å²	52	32.4 Å²	32.4	35%	0.351	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-64.1	-21.2	172.3	-55.2	0	0	0	0	113.4	C477	C378-C477 HydrophobicContact CB-CB 4.38Å; C378-C477 WeakPolarHBondContact CB-SG 3.33Å; C378-C477 PolarHBondContact N-O 3.25Å; C378-C477 VanDerWaalsContact N-O 3.11Å; C378-C477 WeakPolarHBondContact SG-CB 3.25Å; C378-C477 CovalentContact SG-SG 2.04Å; C378-C477 PolarHBondContact SG-SG 2.91Å
379	Q	94.1	Very high	95.9	Very high	162 Å²	162	41.7 Å²	41.7	76%	0.757	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-74.7	-19.5	173.1	-60.9	98.9	0.4	0	0	111.9	S377 W465	S377-Q379 PolarHBondContact O-N 3.04Å; S377-Q379 WeakPolarHBondContact OG-CB 3.31Å; S377-Q379 PolarHBondContact OG-N 3.31Å; S377-Q379 PolarHBondContact OG-OE1 3Å; Q379-W465 VanDerWaalsContact O-CH2 3.27Å; Q379-W465 WeakPolarHBondContact O-CH2 3.38Å
380	R	95.6	Very high	95.6	Very high	88 Å²	88	45.8 Å²	45.8	33%	0.332	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-109.1	42.9	177.3	-59	-171.1	-62.8	-142.1	-1.5	111.7	E375 S377 G464 W465 Q466	E375-R380 PolarHBondContact O-NH2 3.5Å; S377-R380 CarbonylContact O-C 3.36Å; S377-R380 PolarHBondContact O-N 3.5Å; S377-R380 PolarHBondContact OG-N 3.3Å; R380-G464 VanDerWaalsContact CB-O 3.32Å; R380-G464 WeakPolarHBondContact CB-O 3.5Å; R380-G464 PolarHBondContact NE-O 2.68Å; R380-W465 VanDerWaalsContact CA-CE3 3.49Å; R380-W465 HydrophobicContact CB-CD2 3.91Å; R380-W465 HydrophobicContact CB-CE3 4.23Å; R380-W465 HydrophobicContact CB-CG 4.19Å; R380-W465 HydrophobicContact CB-CZ2 4.49Å; R380-W465 HydrophobicContact CG-CZ2 4.36Å; R380-W465 WeakPolarHBondContact O-CA 3.39Å; R380-Q466 PolarHBondContact O-N 3.39Å; R380-Q466 VanDerWaalsContact O-N 3.16Å
381	A	95.4	Very high	95.5	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.2	172.1	0	0	0	0	0	110.1	Y383 Q466 V474	A381-Y383 HydrophobicContact CB-CE1 4.01Å; A381-Y383 WeakPolarHBondContact O-CE2 3.24Å; A381-Q466 CarbonylContact C-O 3.58Å; A381-Q466 WeakPolarHBondContact CA-O 3.19Å; A381-V474 HydrophobicContact CB-CG2 4.01Å
382	A	95.9	Very high	95.3	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.7	175.5	0	0	0	0	0	110.3	P433 M434 M461 W465 Q466 A467 A468	A382-P433 HydrophobicContact CB-CG 3.92Å; A382-M434 HydrophobicContact CB-CB 4.14Å; A382-M461 HydrophobicContact CB-CE 3.98Å; A382-W465 HydrophobicContact CB-CE3 4.43Å; A382-Q466 PolarHBondContact N-O 3.38Å; A382-A467 VanDerWaalsContact O-CA 3.31Å; A382-A467 WeakPolarHBondContact O-CA 3.37Å; A382-A468 PolarHBondContact O-N 3.31Å
383	Y	96	Very high	95.2	Very high	35 Å²	35	53.7 Å²	53.7	14%	0.137	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.4	-176.9	-48.9	-66.8	0	0	0	109.9	A381 S385 T386 Y387 A468 K471 V474	A381-Y383 HydrophobicContact CB-CE1 4.01Å; A381-Y383 WeakPolarHBondContact O-CE2 3.24Å; Y383-S385 PolarHBondContact O-N 2.61Å; Y383-S385 VanDerWaalsContact O-N 3.17Å; Y383-T386 HydrophobicContact CD2-CG2 4.4Å; Y383-T386 PolarHBondContact O-N 3.42Å; Y383-T386 PolarHBondContact O-OG1 3.42Å; Y383-Y387 VanDerWaalsContact O-CD2 3.28Å; Y383-Y387 WeakPolarHBondContact O-CD2 3.47Å; Y383-A468 WeakPolarHBondContact CA-O 3.49Å; Y383-K471 HydrophobicContact CD1-CB 4.42Å; Y383-K471 HydrophobicContact CE1-CB 4.02Å; Y383-K471 HydrophobicContact CE1-CG 4.25Å; Y383-V474 HydrophobicContact CD1-CG2 4.33Å; Y383-V474 HydrophobicContact CE1-CG2 3.62Å
384	V	96.7	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.8	-33.6	179.9	176.7	0	0	0	0	111.2	T386 Y387 Q388 F394 V396 L425 M434 L459 A468 L469	V384-T386 PolarHBondContact O-N 3.12Å; V384-T386 VanDerWaalsContact O-N 3.13Å; V384-Y387 PolarHBondContact O-N 3.42Å; V384-Q388 HydrophobicContact CG1-CB 4.44Å; V384-Q388 PolarHBondContact O-N 2.86Å; V384-F394 HydrophobicContact CG1-CE2 3.81Å; V384-F394 HydrophobicContact CG1-CZ 3.76Å; V384-V396 HydrophobicContact CB-CG2 4.32Å; V384-V396 HydrophobicContact CG2-CG2 3.83Å; V384-L425 HydrophobicContact CG1-CD1 4.22Å; V384-L425 HydrophobicContact CG1-CD2 3.9Å; V384-M434 HydrophobicContact CG2-CE 4.13Å; V384-M434 HydrophobicContact CG2-SD 3.93Å; V384-L459 HydrophobicContact CG2-CD1 3.77Å; V384-A468 PolarHBondContact N-O 3.31Å; V384-L469 HydrophobicContact CB-CD1 4.07Å; V384-L469 HydrophobicContact CG1-CD1 4.3Å; V384-L469 PolarHBondContact N-O 2.78Å
385	S	96.1	Very high	95.1	Very high	49 Å²	49	55.2 Å²	55.2	34%	0.343	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64	-14	177.2	67.3	0	0	0	0	115.2	Y383 L469	Y383-S385 PolarHBondContact O-N 2.61Å; Y383-S385 VanDerWaalsContact O-N 3.17Å; S385-L469 WeakPolarHBondContact CB-O 3.08Å; S385-L469 PolarHBondContact N-O 3.13Å; S385-L469 PolarHBondContact OG-O 2.66Å
386	T	94.3	Very high	95	Very high	91 Å²	91	52.9 Å²	52.9	56%	0.558	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-83.4	-17.8	173.4	58.2	0	0	0	0	112.6	Y383 V384	Y383-T386 HydrophobicContact CD2-CG2 4.4Å; Y383-T386 PolarHBondContact O-N 3.42Å; Y383-T386 PolarHBondContact O-OG1 3.42Å; V384-T386 PolarHBondContact O-N 3.12Å; V384-T386 VanDerWaalsContact O-N 3.13Å
387	Y	93.4	Very high	95	Very high	51 Å²	51	53.9 Å²	53.9	20%	0.2	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-23.6	-177	-57.6	-74.2	0	0	0	112.9	Y383 V384 R428 A429 Q432 M434	Y383-Y387 VanDerWaalsContact O-CD2 3.28Å; Y383-Y387 WeakPolarHBondContact O-CD2 3.47Å; V384-Y387 PolarHBondContact O-N 3.42Å; Y387-R428 HydrophobicContact CD1-CB 3.56Å; Y387-R428 HydrophobicContact CD1-CG 4.26Å; Y387-R428 HydrophobicContact CE1-CB 4.22Å; Y387-R428 HydrophobicContact CG-CB 4.47Å; Y387-A429 HydrophobicContact CE1-CB 4.36Å; Y387-Q432 HydrophobicContact CE1-CG 4.12Å; Y387-M434 HydrophobicContact CD2-CE 3.83Å; Y387-M434 HydrophobicContact CE2-CE 4.16Å
388	Q	93.3	Very high	95.1	Very high	38 Å²	38	55.1 Å²	55.1	18%	0.178	29%	0.289	C	S	.	.			trans	-127.3	125.5	179.5	174.9	62.4	-65.2	0	0	110.2	V384 D390 T391 F394 L421 L425	V384-Q388 HydrophobicContact CG1-CB 4.44Å; V384-Q388 PolarHBondContact O-N 2.86Å; Q388-D390 WeakPolarHBondContact CG-O 2.97Å; Q388-T391 HydrophobicContact CG-CG2 4.43Å; Q388-F394 HydrophobicContact CG-CE1 4.31Å; Q388-F394 HydrophobicContact CG-CZ 4.33Å; Q388-L421 HydrophobicContact CG-CD1 4.25Å; Q388-L425 HydrophobicContact CB-CD2 3.88Å
389	Q	90.1	Very high	95.4	Very high	195 Å²	195	52.8 Å²	52.8	91%	0.911	27%	0.273	S	S	*	.	S	Bend	trans	-72.2	-50.8	-177.5	-68	-175.8	-4	0	0	111.6
390	D	93.8	Very high	95.6	Very high	86 Å²	86	45.1 Å²	45.1	46%	0.46	24%	0.238	S	C	.	.			trans	-90.8	111.4	177.8	-173.3	9.9	0	0	0	111.4	Q388 S392	Q388-D390 WeakPolarHBondContact CG-O 2.97Å; D390-S392 WeakPolarHBondContact OD1-CB 3.29Å; D390-S392 PolarHBondContact OD1-N 3.45Å; D390-S392 PolarHBondContact OD1-OG 3.47Å; D390-S392 PolarHBondContact OD2-OG 2.94Å
391	T	95.9	Very high	95.7	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.11	22%	0.224	C	C	.	.			trans	-116.8	15.9	177	55.2	0	0	0	0	111.8	Q388 F394 K407 L469	Q388-T391 HydrophobicContact CG-CG2 4.43Å; T391-F394 HydrophobicContact CG2-CE1 4.42Å; T391-F394 HydrophobicContact CG2-CE2 4.47Å; T391-F394 HydrophobicContact CG2-CZ 3.83Å; T391-K407 PolarHBondContact O-NZ 2.94Å; T391-L469 HydrophobicContact CG2-CD1 3.79Å
392	S	95.2	Very high	95.8	Very high	73 Å²	73	40.8 Å²	40.8	51%	0.51	22%	0.221	S	C	.	.	S	Bend	trans	-73.1	-28	-171.5	67.7	0	0	0	0	113.1	D390 K407	D390-S392 WeakPolarHBondContact OD1-CB 3.29Å; D390-S392 PolarHBondContact OD1-N 3.45Å; D390-S392 PolarHBondContact OD1-OG 3.47Å; D390-S392 PolarHBondContact OD2-OG 2.94Å; S392-K407 VanDerWaalsContact O-CD 3.22Å; S392-K407 WeakPolarHBondContact O-CD 3.22Å; S392-K407 WeakPolarHBondContact O-CE 3.04Å; S392-K407 PolarHBondContact O-NZ 3.12Å
393	N	96	Very high	95.9	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	22%	0.219	S	C	.	.	S	Bend	trans	-98.3	-9.8	-172.1	62.9	-6.8	0	0	0	115.1	K407 F416	N393-K407 PolarHBondContact O-N 3.45Å; N393-F416 HydrophobicContact CB-CE2 4.49Å
394	F	97.6	Very high	96	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.7	178.4	68.8	-97.1	0	0	0	113.9	V384 Q388 T391 V396 I404 R405 K407 F416 L421 L469	V384-F394 HydrophobicContact CG1-CE2 3.81Å; V384-F394 HydrophobicContact CG1-CZ 3.76Å; Q388-F394 HydrophobicContact CG-CE1 4.31Å; Q388-F394 HydrophobicContact CG-CZ 4.33Å; T391-F394 HydrophobicContact CG2-CE1 4.42Å; T391-F394 HydrophobicContact CG2-CE2 4.47Å; T391-F394 HydrophobicContact CG2-CZ 3.83Å; F394-V396 HydrophobicContact CD2-CG2 4.3Å; F394-V396 HydrophobicContact CE2-CG2 4.1Å; F394-I404 HydrophobicContact CB-CG2 3.95Å; F394-I404 HydrophobicContact CD2-CG2 3.69Å; F394-I404 HydrophobicContact CE2-CG2 4.42Å; F394-I404 HydrophobicContact CG-CG2 3.92Å; F394-R405 CarbonylContact C-O 3.57Å; F394-R405 VanDerWaalsContact CA-O 3.28Å; F394-R405 WeakPolarHBondContact CA-O 3.48Å; F394-R405 WeakPolarHBondContact CB-O 3.48Å; F394-K407 WeakPolarHBondContact O-CE 3.36Å; F394-F416 HydrophobicContact CB-CE2 4.12Å; F394-F416 HydrophobicContact CB-CZ 3.84Å; F394-F416 AromaticContact CD1-CZ 3.99Å; F394-F416 HydrophobicContact CD1-CZ 3.99Å; F394-F416 HydrophobicContact CG-CZ 4.27Å; F394-L421 HydrophobicContact CD1-CD2 3.92Å; F394-L421 HydrophobicContact CE1-CD1 3.88Å; F394-L421 HydrophobicContact CE1-CD2 3.96Å; F394-L421 HydrophobicContact CG-CD2 4.26Å; F394-L421 HydrophobicContact CZ-CD1 4.19Å; F394-L421 HydrophobicContact CZ-CD2 4.29Å; F394-L469 HydrophobicContact CD2-CD1 4.28Å; F394-L469 HydrophobicContact CE2-CD1 3.58Å; F394-L469 HydrophobicContact CZ-CD1 4.24Å
395	T	97.1	Very high	96	Very high	48 Å²	48	40.5 Å²	40.5	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.6	171.4	-170.9	0	0	0	0	110	I404 R405	T395-I404 WeakPolarHBondContact O-CA 3.43Å; T395-R405 HydrophobicContact CG2-CB 4.05Å; T395-R405 PolarHBondContact N-O 2.98Å; T395-R405 PolarHBondContact O-N 3.37Å
396	V	97.5	Very high	96.1	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.085	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.3	176.4	176.7	0	0	0	0	108.6	V384 F394 Q398 A402 R403 I404 L459 L469	V384-V396 HydrophobicContact CB-CG2 4.32Å; V384-V396 HydrophobicContact CG2-CG2 3.83Å; F394-V396 HydrophobicContact CD2-CG2 4.3Å; F394-V396 HydrophobicContact CE2-CG2 4.1Å; V396-Q398 PolarHBondContact O-N 3.27Å; V396-A402 HydrophobicContact CG1-CB 4.12Å; V396-R403 CarbonylContact C-O 3.56Å; V396-R403 VanDerWaalsContact CA-O 3.32Å; V396-R403 WeakPolarHBondContact CA-O 3.28Å; V396-I404 HydrophobicContact CG2-CG1 4.3Å; V396-L459 HydrophobicContact CG1-CD1 4.17Å; V396-L469 HydrophobicContact CB-CB 3.97Å; V396-L469 HydrophobicContact CG2-CB 3.94Å; V396-L469 HydrophobicContact CG2-CD1 3.87Å; V396-L469 HydrophobicContact CG2-CG 4.48Å
397	I	96.7	Very high	96.2	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	105.9	163.3	-57.5	83.3	0	0	0	106.2	A402 R403 R405 E455	I397-A402 WeakPolarHBondContact O-CA 3.31Å; I397-A402 VanDerWaalsContact O-CB 3.24Å; I397-A402 WeakPolarHBondContact O-CB 3.44Å; I397-R403 HydrophobicContact CB-CB 4.34Å; I397-R403 HydrophobicContact CD1-CB 4.03Å; I397-R403 WeakPolarHBondContact CD1-O 3.4Å; I397-R403 PolarHBondContact N-O 3.2Å; I397-R403 PolarHBondContact O-N 3.33Å; I397-R403 VanDerWaalsContact O-N 3.15Å; I397-R405 HydrophobicContact CD1-CB 4.18Å; I397-E455 HydrophobicContact CD1-CG 4.46Å
398	Q	96.1	Very high	96.4	Very high	44 Å²	44	44.3 Å²	44.3	21%	0.206	22%	0.218	C	C	.	.			trans	-72.7	158.6	-172.4	70.6	84.7	61	0	0	113.9	V396 A467 A468	V396-Q398 PolarHBondContact O-N 3.27Å; Q398-A467 CarbonylContact C-O 3.45Å; Q398-A467 WeakPolarHBondContact CA-O 3.31Å; Q398-A467 WeakPolarHBondContact CB-O 3.43Å; Q398-A468 HydrophobicContact CB-CB 3.83Å
399	G	96.9	Very high	96.6	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.021	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	129.8	-167	174.1	0	0	0	0	0	112.3	A401 A402 A467	G399-A401 VanDerWaalsContact C-N 3.35Å; G399-A402 WeakPolarHBondContact O-CB 3.34Å; G399-A467 PolarHBondContact N-O 3.25Å; G399-A467 PolarHBondContact O-N 3.46Å
400	P	97.3	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.8	178.5	33.5	-39.3	0	0	0	115	M461 Q466 F481 H482 G483 S484	P400-M461 VanDerWaalsContact O-CG 3.29Å; P400-M461 WeakPolarHBondContact O-CG 3.05Å; P400-Q466 HydrophobicContact CB-CG 4.28Å; P400-F481 HydrophobicContact CB-CD2 4.07Å; P400-F481 HydrophobicContact CB-CE2 3.62Å; P400-F481 HydrophobicContact CG-CD2 3.66Å; P400-F481 HydrophobicContact CG-CE2 3.74Å; P400-H482 VanDerWaalsContact CG-O 3.32Å; P400-H482 WeakPolarHBondContact CG-O 3.29Å; P400-G483 VanDerWaalsContact CG-C 3.43Å; P400-S484 VanDerWaalsContact CB-OG 3.23Å; P400-S484 WeakPolarHBondContact CB-OG 3.23Å
401	A	97.5	Very high	97	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	54.6	170.4	0	0	0	0	0	109.3	Y199 P200 G399 R403 G483	Y199-A401 HydrophobicContact CE1-CB 4.38Å; Y199-A401 HydrophobicContact CE2-CB 4.17Å; Y199-A401 WeakPolarHBondContact OH-CA 3.36Å; Y199-A401 WeakPolarHBondContact OH-CB 3.38Å; P200-A401 HydrophobicContact CB-CB 3.61Å; G399-A401 VanDerWaalsContact C-N 3.35Å; A401-R403 PolarHBondContact O-NH1 2.87Å; A401-G483 VanDerWaalsContact CB-O 3.31Å; A401-G483 WeakPolarHBondContact CB-O 3.05Å
402	A	98	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.7	-171.8	0	0	0	0	0	111.8	V396 I397 G399 L459 A467	V396-A402 HydrophobicContact CG1-CB 4.12Å; I397-A402 WeakPolarHBondContact O-CA 3.31Å; I397-A402 VanDerWaalsContact O-CB 3.24Å; I397-A402 WeakPolarHBondContact O-CB 3.44Å; G399-A402 WeakPolarHBondContact O-CB 3.34Å; A402-L459 HydrophobicContact CB-CB 3.92Å; A402-L459 HydrophobicContact CB-CD1 4.01Å; A402-L459 HydrophobicContact CB-CG 4.49Å; A402-L459 WeakPolarHBondContact O-CB 3.41Å; A402-L459 PolarHBondContact O-N 2.97Å; A402-A467 HydrophobicContact CB-CB 3.78Å
403	R	98.3	Very high	97.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.9	-175	-72.7	175.4	-50	-83.6	0.3	111	D223 V396 I397 A401 E455 G457 H458	D223-R403 IonicContact OD2-CZ 3.31Å; D223-R403 IonicContact OD2-NH1 2.66Å; D223-R403 PolarHBondContact OD2-NH1 3.24Å; D223-R403 IonicContact OD2-NH2 3.79Å; D223-R403 PolarHBondContact OD2-NH2 3.1Å; V396-R403 CarbonylContact C-O 3.56Å; V396-R403 VanDerWaalsContact CA-O 3.32Å; V396-R403 WeakPolarHBondContact CA-O 3.28Å; I397-R403 HydrophobicContact CB-CB 4.34Å; I397-R403 HydrophobicContact CD1-CB 4.03Å; I397-R403 WeakPolarHBondContact CD1-O 3.4Å; I397-R403 PolarHBondContact N-O 3.2Å; I397-R403 PolarHBondContact O-N 3.33Å; I397-R403 VanDerWaalsContact O-N 3.15Å; A401-R403 PolarHBondContact O-NH1 2.87Å; R403-E455 HydrophobicContact CB-CB 4.19Å; R403-E455 WeakPolarHBondContact CD-OE2 3.35Å; R403-E455 IonicContact NE-OE2 3.86Å; R403-E455 PolarHBondContact NE-OE2 2.88Å; R403-E455 VanDerWaalsContact NE-OE2 3.08Å; R403-G457 CarbonylContact C-O 3.59Å; R403-G457 WeakPolarHBondContact CA-O 3.09Å; R403-H458 VanDerWaalsContact CG-ND1 3.27Å; R403-H458 WeakPolarHBondContact CG-ND1 3.16Å
404	I	98.3	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-175.6	-60	174.4	0	0	0	110	F394 T395 V396 Y418 L421 L425 E455 G457 L459	F394-I404 HydrophobicContact CB-CG2 3.95Å; F394-I404 HydrophobicContact CD2-CG2 3.69Å; F394-I404 HydrophobicContact CE2-CG2 4.42Å; F394-I404 HydrophobicContact CG-CG2 3.92Å; T395-I404 WeakPolarHBondContact O-CA 3.43Å; V396-I404 HydrophobicContact CG2-CG1 4.3Å; I404-Y418 WeakPolarHBondContact O-CE1 3.17Å; I404-L421 HydrophobicContact CD1-CD2 3.9Å; I404-L421 HydrophobicContact CD1-CG 4.48Å; I404-L421 HydrophobicContact CG2-CD2 3.71Å; I404-L425 HydrophobicContact CD1-CD1 3.8Å; I404-E455 VanDerWaalsContact O-CB 3.28Å; I404-E455 WeakPolarHBondContact O-CB 3.38Å; I404-G457 PolarHBondContact N-O 3.24Å; I404-L459 HydrophobicContact CD1-CD1 4.18Å; I404-L459 HydrophobicContact CD1-CD2 3.99Å; I404-L459 HydrophobicContact CD1-CG 4.16Å; I404-L459 HydrophobicContact CG1-CD1 4.07Å; I404-L459 HydrophobicContact CG1-CG 4.25Å
405	R	97.2	Very high	97.2	Very high	32 Å²	32	43.9 Å²	43.9	12%	0.121	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.6	177.6	-166.7	171.8	53.8	-140.1	2.1	111.4	Y227 F394 T395 I397 L409 Y413 E455	Y227-R405 VanDerWaalsContact CB-NH1 3.28Å; F394-R405 CarbonylContact C-O 3.57Å; F394-R405 VanDerWaalsContact CA-O 3.28Å; F394-R405 WeakPolarHBondContact CA-O 3.48Å; F394-R405 WeakPolarHBondContact CB-O 3.48Å; T395-R405 HydrophobicContact CG2-CB 4.05Å; T395-R405 PolarHBondContact N-O 2.98Å; T395-R405 PolarHBondContact O-N 3.37Å; I397-R405 HydrophobicContact CD1-CB 4.18Å; R405-L409 HydrophobicContact CG-CD1 4.21Å; R405-L409 HydrophobicContact CG-CD2 4.03Å; R405-Y413 HydrophobicContact CG-CD2 4.42Å; R405-Y413 HydrophobicContact CG-CE2 4.34Å; R405-E455 HydrophobicContact CB-CG 3.91Å; R405-E455 HydrophobicContact CG-CG 4.13Å; R405-E455 IonicContact CZ-OE1 3.69Å; R405-E455 IonicContact NH1-OE1 3.54Å; R405-E455 PolarHBondContact NH1-OE1 2.78Å
406	P	97.8	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	151.4	169.6	23.5	-32.9	0	0	0	111.5	L409 D412 F416 Y418	P406-L409 HydrophobicContact CG-CD2 4Å; P406-L409 WeakPolarHBondContact O-CG 3.03Å; P406-D412 HydrophobicContact CB-CB 3.85Å; P406-D412 HydrophobicContact CG-CB 4.16Å; P406-F416 HydrophobicContact CB-CB 4.18Å; P406-F416 HydrophobicContact CB-CD2 3.74Å; P406-F416 HydrophobicContact CB-CE2 4.39Å; P406-F416 HydrophobicContact CB-CG 4.08Å; P406-F416 HydrophobicContact CG-CB 4.12Å; P406-F416 HydrophobicContact CG-CG 4.37Å; P406-Y418 WeakPolarHBondContact CD-OH 3.46Å
407	K	96.6	Very high	97.3	Very high	115 Å²	115	46.9 Å²	46.9	50%	0.5	23%	0.227	S	C	.	.	S	Bend	trans	-76.5	-35.1	176.4	-69.9	-170.7	-164.9	163.6	0	112.7	T391 S392 N393 F394 L409	T391-K407 PolarHBondContact O-NZ 2.94Å; S392-K407 VanDerWaalsContact O-CD 3.22Å; S392-K407 WeakPolarHBondContact O-CD 3.22Å; S392-K407 WeakPolarHBondContact O-CE 3.04Å; S392-K407 PolarHBondContact O-NZ 3.12Å; N393-K407 PolarHBondContact O-N 3.45Å; F394-K407 WeakPolarHBondContact O-CE 3.36Å; K407-L409 PolarHBondContact O-N 3.44Å
408	R	97.2	Very high	97.3	Very high	155 Å²	155	45.9 Å²	45.9	59%	0.585	22%	0.222	S	C	*	.	S	Bend	trans	-86.4	96.4	-178.4	-174.6	172.8	64.1	171.7	2.8	109.9	Q411 D412	R408-Q411 HydrophobicContact CG-CB 4.4Å; R408-D412 WeakPolarHBondContact CB-OD2 3.22Å; R408-D412 IonicContact CZ-OD1 2.95Å; R408-D412 VanDerWaalsContact CZ-OD1 3.23Å; R408-D412 IonicContact CZ-OD2 2.98Å; R408-D412 VanDerWaalsContact CZ-OD2 3.31Å; R408-D412 IonicContact NE-OD1 3.2Å; R408-D412 PolarHBondContact NE-OD1 3.25Å; R408-D412 IonicContact NE-OD2 3.12Å; R408-D412 PolarHBondContact NE-OD2 3.45Å; R408-D412 VanDerWaalsContact NH2-CG 3.28Å; R408-D412 IonicContact NH2-OD1 2.65Å; R408-D412 PolarHBondContact NH2-OD1 3.45Å; R408-D412 IonicContact NH2-OD2 2.63Å; R408-D412 PolarHBondContact NH2-OD2 3.13Å; R408-D412 VanDerWaalsContact NH2-OD2 3.07Å; R408-D412 WeakPolarHBondContact O-CB 3.36Å; R408-D412 PolarHBondContact O-N 2.85Å
409	L	97	Very high	97.3	Very high	34 Å²	34	47.9 Å²	47.9	18%	0.178	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	144.2	-176.1	-64.4	172.2	0	0	0	111.1	Y227 F234 R405 P406 K407 Q411 Y413	Y227-L409 HydrophobicContact CD1-CD1 4.26Å; Y227-L409 HydrophobicContact CD1-CD2 4.42Å; Y227-L409 HydrophobicContact CD2-CD1 4.48Å; Y227-L409 HydrophobicContact CE1-CB 4.37Å; Y227-L409 HydrophobicContact CE1-CD1 4.08Å; Y227-L409 HydrophobicContact CE1-CD2 3.85Å; Y227-L409 HydrophobicContact CE1-CG 4.33Å; Y227-L409 HydrophobicContact CE2-CD1 4.31Å; Y227-L409 HydrophobicContact CG-CD1 4.45Å; F234-L409 HydrophobicContact CE1-CD1 4.35Å; F234-L409 HydrophobicContact CZ-CD1 3.85Å; R405-L409 HydrophobicContact CG-CD1 4.21Å; R405-L409 HydrophobicContact CG-CD2 4.03Å; P406-L409 HydrophobicContact CG-CD2 4Å; P406-L409 WeakPolarHBondContact O-CG 3.03Å; K407-L409 PolarHBondContact O-N 3.44Å; L409-Q411 PolarHBondContact O-OE1 2.69Å; L409-Q411 VanDerWaalsContact O-OE1 3.06Å; L409-Y413 HydrophobicContact CD2-CD2 3.82Å
410	P	97.1	Very high	97.3	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.5	-4.6	-1.9	31.8	-35.8	0	0	0	114.5	Y227 V229 D412 Y413	Y227-P410 WeakPolarHBondContact OH-CB 3.07Å; V229-P410 HydrophobicContact CG2-CB 3.81Å; P410-D412 VanDerWaalsContact C-N 3.35Å; P410-D412 PolarHBondContact O-N 3.23Å; P410-Y413 WeakPolarHBondContact O-CB 3.27Å; P410-Y413 PolarHBondContact O-N 3.32Å; P410-Y413 VanDerWaalsContact O-N 3.15Å
411	Q	96.7	Very high	97.3	Very high	123 Å²	123	49 Å²	49	58%	0.575	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.6	-162.1	-62	77.6	13.5	0	0	113.8	R408 L409 S415	R408-Q411 HydrophobicContact CG-CB 4.4Å; L409-Q411 PolarHBondContact O-OE1 2.69Å; L409-Q411 VanDerWaalsContact O-OE1 3.06Å; Q411-S415 PolarHBondContact O-OG 2.9Å
412	D	97.4	Very high	97.2	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.16	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-1	-175.6	-64.8	-8.2	0	0	0	113.2	P406 R408 P410 F414 S415 F416	P406-D412 HydrophobicContact CB-CB 3.85Å; P406-D412 HydrophobicContact CG-CB 4.16Å; R408-D412 WeakPolarHBondContact CB-OD2 3.22Å; R408-D412 IonicContact CZ-OD1 2.95Å; R408-D412 VanDerWaalsContact CZ-OD1 3.23Å; R408-D412 IonicContact CZ-OD2 2.98Å; R408-D412 VanDerWaalsContact CZ-OD2 3.31Å; R408-D412 IonicContact NE-OD1 3.2Å; R408-D412 PolarHBondContact NE-OD1 3.25Å; R408-D412 IonicContact NE-OD2 3.12Å; R408-D412 PolarHBondContact NE-OD2 3.45Å; R408-D412 VanDerWaalsContact NH2-CG 3.28Å; R408-D412 IonicContact NH2-OD1 2.65Å; R408-D412 PolarHBondContact NH2-OD1 3.45Å; R408-D412 IonicContact NH2-OD2 2.63Å; R408-D412 PolarHBondContact NH2-OD2 3.13Å; R408-D412 VanDerWaalsContact NH2-OD2 3.07Å; R408-D412 WeakPolarHBondContact O-CB 3.36Å; R408-D412 PolarHBondContact O-N 2.85Å; P410-D412 VanDerWaalsContact C-N 3.35Å; P410-D412 PolarHBondContact O-N 3.23Å; D412-F414 PolarHBondContact O-N 3.02Å; D412-F414 VanDerWaalsContact O-N 3.13Å; D412-S415 WeakPolarHBondContact CA-OG 3.24Å; D412-S415 PolarHBondContact O-N 2.89Å; D412-F416 WeakPolarHBondContact O-CB 3.43Å; D412-F416 PolarHBondContact O-N 2.69Å
413	Y	97.6	Very high	97	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.039	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.7	-169.3	-171.1	-90.2	0	0	0	113.2	Y227 V229 R405 L409 P410 Y418 K452 E455	Y227-Y413 AromaticContact CD1-CD2 4Å; Y227-Y413 HydrophobicContact CD1-CD2 4Å; Y227-Y413 AromaticContact CD1-CE2 3.9Å; Y227-Y413 HydrophobicContact CD1-CE2 3.9Å; Y227-Y413 AromaticContact CE1-CD2 3.88Å; Y227-Y413 HydrophobicContact CE1-CD2 3.88Å; Y227-Y413 HydrophobicContact CE1-CE2 4.24Å; V229-Y413 HydrophobicContact CB-CD1 3.74Å; V229-Y413 HydrophobicContact CB-CD2 4.18Å; V229-Y413 HydrophobicContact CB-CE1 4.14Å; V229-Y413 HydrophobicContact CB-CG 3.78Å; V229-Y413 HydrophobicContact CG1-CD1 3.77Å; V229-Y413 HydrophobicContact CG1-CE1 3.92Å; V229-Y413 HydrophobicContact CG1-CG 4.34Å; V229-Y413 HydrophobicContact CG2-CD1 3.79Å; V229-Y413 HydrophobicContact CG2-CD2 4.34Å; V229-Y413 HydrophobicContact CG2-CG 3.62Å; R405-Y413 HydrophobicContact CG-CD2 4.42Å; R405-Y413 HydrophobicContact CG-CE2 4.34Å; L409-Y413 HydrophobicContact CD2-CD2 3.82Å; P410-Y413 WeakPolarHBondContact O-CB 3.27Å; P410-Y413 PolarHBondContact O-N 3.32Å; P410-Y413 VanDerWaalsContact O-N 3.15Å; Y413-Y418 WeakPolarHBondContact O-CE2 3.39Å; Y413-Y418 PolarHBondContact O-OH 2.85Å; Y413-K452 PolarHBondContact OH-O 2.8Å; Y413-E455 HydrophobicContact CE2-CG 4.47Å
414	F	96.4	Very high	96.8	Very high	151 Å²	151	60.7 Å²	60.7	66%	0.662	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-23.7	178.5	-62.3	-68.4	0	0	0	114	V229 D412	V229-F414 HydrophobicContact CG1-CE2 3.81Å; V229-F414 HydrophobicContact CG1-CZ 3.59Å; V229-F414 HydrophobicContact CG2-CE2 4.01Å; D412-F414 PolarHBondContact O-N 3.02Å; D412-F414 VanDerWaalsContact O-N 3.13Å
415	S	97	Very high	96.7	Very high	88 Å²	88	60.7 Å²	60.7	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.8	-176.6	57.7	0	0	0	0	113.9	Q411 D412	Q411-S415 PolarHBondContact O-OG 2.9Å; D412-S415 WeakPolarHBondContact CA-OG 3.24Å; D412-S415 PolarHBondContact O-N 2.89Å
416	F	97.9	Very high	96.5	Very high	22 Å²	22	60.5 Å²	60.5	10%	0.096	30%	0.298	C	S	.	.	S	Bend	trans	-61.4	136	175.1	-175.3	-94.4	0	0	0	111.2	N393 F394 P406 D412 Y418 L421	N393-F416 HydrophobicContact CB-CE2 4.49Å; F394-F416 HydrophobicContact CB-CE2 4.12Å; F394-F416 HydrophobicContact CB-CZ 3.84Å; F394-F416 AromaticContact CD1-CZ 3.99Å; F394-F416 HydrophobicContact CD1-CZ 3.99Å; F394-F416 HydrophobicContact CG-CZ 4.27Å; P406-F416 HydrophobicContact CB-CB 4.18Å; P406-F416 HydrophobicContact CB-CD2 3.74Å; P406-F416 HydrophobicContact CB-CE2 4.39Å; P406-F416 HydrophobicContact CB-CG 4.08Å; P406-F416 HydrophobicContact CG-CB 4.12Å; P406-F416 HydrophobicContact CG-CG 4.37Å; D412-F416 WeakPolarHBondContact O-CB 3.43Å; D412-F416 PolarHBondContact O-N 2.69Å; F416-Y418 VanDerWaalsContact C-N 3.29Å; F416-Y418 HydrophobicContact CB-CD2 4.21Å; F416-Y418 HydrophobicContact CB-CE2 3.83Å; F416-Y418 AromaticContact CD1-CD1 3.72Å; F416-Y418 HydrophobicContact CD1-CD1 3.72Å; F416-Y418 AromaticContact CD1-CD2 3.92Å; F416-Y418 HydrophobicContact CD1-CD2 3.92Å; F416-Y418 AromaticContact CD1-CE1 3.75Å; F416-Y418 HydrophobicContact CD1-CE1 3.75Å; F416-Y418 AromaticContact CD1-CE2 3.95Å; F416-Y418 HydrophobicContact CD1-CE2 3.95Å; F416-Y418 AromaticContact CD1-CG 3.82Å; F416-Y418 HydrophobicContact CD1-CG 3.82Å; F416-Y418 AromaticContact CD1-CZ 3.88Å; F416-Y418 HydrophobicContact CE1-CD1 4.12Å; F416-Y418 HydrophobicContact CE1-CE1 4.27Å; F416-Y418 HydrophobicContact CG-CE2 4.36Å; F416-Y418 WeakPolarHBondContact O-CD2 3.42Å; F416-Y418 PolarHBondContact O-N 3.14Å; F416-L421 HydrophobicContact CE1-CB 4.39Å; F416-L421 HydrophobicContact CE1-CD2 3.74Å; F416-L421 HydrophobicContact CZ-CD2 3.9Å
417	D	97.4	Very high	96.2	Very high	102 Å²	102	63.1 Å²	63.1	55%	0.545	32%	0.316	S	S	.	.			trans	-75.2	78.6	178.9	-179.7	20.5	0	0	0	111.3	G420 L421	D417-G420 WeakPolarHBondContact OD1-CA 3.44Å; D417-G420 PolarHBondContact OD1-N 2.8Å; D417-G420 WeakPolarHBondContact OD2-CA 3.33Å; D417-L421 WeakPolarHBondContact O-CB 3.26Å; D417-L421 PolarHBondContact O-N 3.11Å
418	Y	97.6	Very high	96	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-42.9	177	-72.6	-77.6	0	0	0	111.2	I404 P406 Y413 F416 L421 I422 R456	I404-Y418 WeakPolarHBondContact O-CE1 3.17Å; P406-Y418 WeakPolarHBondContact CD-OH 3.46Å; Y413-Y418 WeakPolarHBondContact O-CE2 3.39Å; Y413-Y418 PolarHBondContact O-OH 2.85Å; F416-Y418 VanDerWaalsContact C-N 3.29Å; F416-Y418 HydrophobicContact CB-CD2 4.21Å; F416-Y418 HydrophobicContact CB-CE2 3.83Å; F416-Y418 AromaticContact CD1-CD1 3.72Å; F416-Y418 HydrophobicContact CD1-CD1 3.72Å; F416-Y418 AromaticContact CD1-CD2 3.92Å; F416-Y418 HydrophobicContact CD1-CD2 3.92Å; F416-Y418 AromaticContact CD1-CE1 3.75Å; F416-Y418 HydrophobicContact CD1-CE1 3.75Å; F416-Y418 AromaticContact CD1-CE2 3.95Å; F416-Y418 HydrophobicContact CD1-CE2 3.95Å; F416-Y418 AromaticContact CD1-CG 3.82Å; F416-Y418 HydrophobicContact CD1-CG 3.82Å; F416-Y418 AromaticContact CD1-CZ 3.88Å; F416-Y418 HydrophobicContact CE1-CD1 4.12Å; F416-Y418 HydrophobicContact CE1-CE1 4.27Å; F416-Y418 HydrophobicContact CG-CE2 4.36Å; F416-Y418 WeakPolarHBondContact O-CD2 3.42Å; F416-Y418 PolarHBondContact O-N 3.14Å; Y418-L421 PolarHBondContact O-N 3.48Å; Y418-I422 WeakPolarHBondContact O-CB 3.43Å; Y418-I422 VanDerWaalsContact O-CG1 3.27Å; Y418-I422 WeakPolarHBondContact O-CG1 3.48Å; Y418-I422 PolarHBondContact O-N 3.49Å; Y418-R456 HydrophobicContact CD1-CB 4.17Å; Y418-R456 HydrophobicContact CD2-CB 3.95Å; Y418-R456 HydrophobicContact CD2-CG 4.44Å; Y418-R456 HydrophobicContact CE1-CB 4.28Å; Y418-R456 HydrophobicContact CE2-CB 4.05Å; Y418-R456 HydrophobicContact CG-CB 3.99Å; Y418-R456 HydrophobicContact CG-CG 4.38Å
419	E	96.7	Very high	95.5	Very high	87 Å²	87	58.3 Å²	58.3	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-51.5	-179.8	-71.4	85.5	155.8	0	0	111.5	L421 I422 K423 L438 R456	E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.22Å; E419-I422 PolarHBondContact O-N 3.04Å; E419-K423 VanDerWaalsContact O-CB 3.29Å; E419-K423 WeakPolarHBondContact O-CB 3.29Å; E419-K423 PolarHBondContact O-N 2.65Å; E419-L438 HydrophobicContact CG-CD1 3.96Å; E419-R456 IonicContact OE1-CZ 3.53Å; E419-R456 IonicContact OE1-NH1 3.47Å; E419-R456 PolarHBondContact OE1-NH1 3Å; E419-R456 IonicContact OE1-NH2 3.46Å; E419-R456 PolarHBondContact OE1-NH2 3.25Å; E419-R456 IonicContact OE2-CZ 2.69Å; E419-R456 IonicContact OE2-NH1 2.75Å; E419-R456 PolarHBondContact OE2-NH1 2.82Å; E419-R456 IonicContact OE2-NH2 3.52Å
420	G	96.3	Very high	94.7	Very high	17 Å²	17	63.8 Å²	63.8	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-39.9	176.8	0	0	0	0	0	111.8	D417 N424	D417-G420 WeakPolarHBondContact OD1-CA 3.44Å; D417-G420 PolarHBondContact OD1-N 2.8Å; D417-G420 WeakPolarHBondContact OD2-CA 3.33Å; G420-N424 VanDerWaalsContact O-CB 3.22Å; G420-N424 WeakPolarHBondContact O-CB 3.45Å; G420-N424 PolarHBondContact O-N 2.98Å; G420-N424 PolarHBondContact O-ND2 3.24Å; G420-N424 VanDerWaalsContact O-ND2 3.1Å
421	L	96.6	Very high	94.1	Very high	10 Å²	10	67 Å²	67	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-47.1	176.4	-177.7	60.3	0	0	0	112.7	Q388 F394 I404 F416 D417 Y418 E419 K423 N424 L425	Q388-L421 HydrophobicContact CG-CD1 4.25Å; F394-L421 HydrophobicContact CD1-CD2 3.92Å; F394-L421 HydrophobicContact CE1-CD1 3.88Å; F394-L421 HydrophobicContact CE1-CD2 3.96Å; F394-L421 HydrophobicContact CG-CD2 4.26Å; F394-L421 HydrophobicContact CZ-CD1 4.19Å; F394-L421 HydrophobicContact CZ-CD2 4.29Å; I404-L421 HydrophobicContact CD1-CD2 3.9Å; I404-L421 HydrophobicContact CD1-CG 4.48Å; I404-L421 HydrophobicContact CG2-CD2 3.71Å; F416-L421 HydrophobicContact CE1-CB 4.39Å; F416-L421 HydrophobicContact CE1-CD2 3.74Å; F416-L421 HydrophobicContact CZ-CD2 3.9Å; D417-L421 WeakPolarHBondContact O-CB 3.26Å; D417-L421 PolarHBondContact O-N 3.11Å; Y418-L421 PolarHBondContact O-N 3.48Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.22Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 2.8Å; L421-N424 CarbonylContact O-C 3.53Å; L421-N424 WeakPolarHBondContact O-CB 3.49Å; L421-N424 PolarHBondContact O-N 2.86Å; L421-N424 VanDerWaalsContact O-N 3.15Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CD1-CG 4.15Å; L421-L425 HydrophobicContact CG-CD1 4.01Å; L421-L425 HydrophobicContact CG-CG 4.48Å; L421-L425 WeakPolarHBondContact O-CG 3.26Å; L421-L425 PolarHBondContact O-N 3.03Å
422	I	96.1	Very high	93.8	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-43.8	178.8	-67	-59.3	0	0	0	110.1	Y418 E419 N424 L425 S426 P436 Y437 L438	Y418-I422 WeakPolarHBondContact O-CB 3.43Å; Y418-I422 VanDerWaalsContact O-CG1 3.27Å; Y418-I422 WeakPolarHBondContact O-CG1 3.48Å; Y418-I422 PolarHBondContact O-N 3.49Å; E419-I422 PolarHBondContact O-N 3.04Å; I422-N424 VanDerWaalsContact C-N 3.32Å; I422-N424 PolarHBondContact O-N 2.78Å; I422-L425 PolarHBondContact O-N 2.75Å; I422-L425 VanDerWaalsContact O-N 3.12Å; I422-S426 WeakPolarHBondContact O-CB 3.49Å; I422-S426 PolarHBondContact O-N 2.78Å; I422-S426 PolarHBondContact O-OG 2.69Å; I422-P436 HydrophobicContact CD1-CB 3.73Å; I422-P436 HydrophobicContact CG2-CB 4.09Å; I422-P436 HydrophobicContact CG2-CG 4.37Å; I422-Y437 WeakPolarHBondContact CD1-O 3.45Å; I422-L438 HydrophobicContact CG1-CD2 3.85Å; I422-L438 HydrophobicContact CG1-CG 4.3Å
423	K	94.4	Very high	93.6	Very high	167 Å²	167	61.2 Å²	61.2	73%	0.726	33%	0.328	S	S	*	.	H	α-helix	trans	-58.5	-44.4	172.7	-174.5	176.4	-177.8	175.3	0	111.6	E419 L421 L425 S426	E419-K423 VanDerWaalsContact O-CB 3.29Å; E419-K423 WeakPolarHBondContact O-CB 3.29Å; E419-K423 PolarHBondContact O-N 2.65Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 2.8Å; K423-L425 VanDerWaalsContact C-N 3.26Å; K423-L425 PolarHBondContact O-N 2.82Å; K423-S426 PolarHBondContact O-N 2.75Å
424	N	94.2	Very high	93.5	Very high	69 Å²	69	60.8 Å²	60.8	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-19.4	177.4	-78.2	-28.7	0	0	0	114.2	G420 L421 I422 R428	G420-N424 VanDerWaalsContact O-CB 3.22Å; G420-N424 WeakPolarHBondContact O-CB 3.45Å; G420-N424 PolarHBondContact O-N 2.98Å; G420-N424 PolarHBondContact O-ND2 3.24Å; G420-N424 VanDerWaalsContact O-ND2 3.1Å; L421-N424 CarbonylContact O-C 3.53Å; L421-N424 WeakPolarHBondContact O-CB 3.49Å; L421-N424 PolarHBondContact O-N 2.86Å; L421-N424 VanDerWaalsContact O-N 3.15Å; I422-N424 VanDerWaalsContact C-N 3.32Å; I422-N424 PolarHBondContact O-N 2.78Å; N424-R428 PolarHBondContact O-NE 3.33Å; N424-R428 PolarHBondContact O-NH2 3.1Å
425	L	95.3	Very high	93.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-95.4	-15.4	175.2	-68.4	174.4	0	0	0	112.3	V384 Q388 I404 L421 I422 K423 Q432 P436 L459	V384-L425 HydrophobicContact CG1-CD1 4.22Å; V384-L425 HydrophobicContact CG1-CD2 3.9Å; Q388-L425 HydrophobicContact CB-CD2 3.88Å; I404-L425 HydrophobicContact CD1-CD1 3.8Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CD1-CG 4.15Å; L421-L425 HydrophobicContact CG-CD1 4.01Å; L421-L425 HydrophobicContact CG-CG 4.48Å; L421-L425 WeakPolarHBondContact O-CG 3.26Å; L421-L425 PolarHBondContact O-N 3.03Å; I422-L425 PolarHBondContact O-N 2.75Å; I422-L425 VanDerWaalsContact O-N 3.12Å; K423-L425 VanDerWaalsContact C-N 3.26Å; K423-L425 PolarHBondContact O-N 2.82Å; L425-Q432 PolarHBondContact O-NE2 3.16Å; L425-Q432 PolarHBondContact O-OE1 2.85Å; L425-P436 HydrophobicContact CB-CB 3.93Å; L425-P436 HydrophobicContact CB-CG 3.83Å; L425-L459 HydrophobicContact CD1-CD2 4.32Å
426	S	93.9	Very high	93.4	Very high	27 Å²	27	52.6 Å²	52.6	19%	0.189	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	140.1	-176.5	-61.9	0	0	0	0	110.9	I422 K423 R428 P436	I422-S426 WeakPolarHBondContact O-CB 3.49Å; I422-S426 PolarHBondContact O-N 2.78Å; I422-S426 PolarHBondContact O-OG 2.69Å; K423-S426 PolarHBondContact O-N 2.75Å; S426-R428 VanDerWaalsContact C-N 3.3Å; S426-R428 PolarHBondContact O-N 3.49Å; S426-P436 WeakPolarHBondContact OG-CG 3.42Å
427	C	90.9	Very high	93.4	Very high	56 Å²	56	52 Å²	52	38%	0.378	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	37.7	167	-46.7	0	0	0	0	115.4	S807 C810	C427-S807 PolarHBondContact SG-O 3.5Å; C427-S807 VanDerWaalsContact SG-O 3.37Å; C427-C810 WeakPolarHBondContact CA-SG 3.32Å; C427-C810 HydrophobicContact CB-CB 3.59Å; C427-C810 WeakPolarHBondContact CB-SG 3.31Å; C427-C810 PolarHBondContact N-SG 3.49Å; C427-C810 WeakPolarHBondContact SG-CA 3.5Å; C427-C810 WeakPolarHBondContact SG-CB 3.34Å; C427-C810 CovalentContact SG-SG 2.03Å; C427-C810 PolarHBondContact SG-SG 3.36Å
428	R	91.8	Very high	93.4	Very high	131 Å²	131	48.1 Å²	48.1	49%	0.494	26%	0.257	S	S	.	.	S	Bend	trans	-85.2	-16.3	179.3	-64.1	-59.2	-157.1	-176.1	-2.6	113.7	Y387 N424 S426	Y387-R428 HydrophobicContact CD1-CB 3.56Å; Y387-R428 HydrophobicContact CD1-CG 4.26Å; Y387-R428 HydrophobicContact CE1-CB 4.22Å; Y387-R428 HydrophobicContact CG-CB 4.47Å; N424-R428 PolarHBondContact O-NE 3.33Å; N424-R428 PolarHBondContact O-NH2 3.1Å; S426-R428 VanDerWaalsContact C-N 3.3Å; S426-R428 PolarHBondContact O-N 3.49Å
429	A	87.2	Confident	93.4	Very high	37 Å²	37	48.9 Å²	48.9	31%	0.306	26%	0.26	S	S	.	.	S	Bend	trans	-146.2	148.7	174.5	0	0	0	0	0	111.2	Y387 D431 Q432	Y387-A429 HydrophobicContact CE1-CB 4.36Å; A429-D431 PolarHBondContact O-N 3.1Å; A429-Q432 HydrophobicContact CB-CB 4.27Å; A429-Q432 WeakPolarHBondContact O-CB 3.41Å; A429-Q432 PolarHBondContact O-N 3.4Å
430	P	80.4	Confident	93.4	Very high	150 Å²	150	46.3 Å²	46.3	97%	0.974	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.2	-177	-27.7	35.3	0	0	0	116
431	D	83.9	Confident	93.4	Very high	111 Å²	111	47.2 Å²	47.2	59%	0.594	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.9	51.6	174	-172	30.7	0	0	0	109.8	A429 P433 K462	A429-D431 PolarHBondContact O-N 3.1Å; D431-P433 WeakPolarHBondContact O-CD 3.45Å; D431-P433 VanDerWaalsContact O-N 3.15Å; D431-K462 VanDerWaalsContact CG-NZ 3.29Å; D431-K462 IonicContact OD1-NZ 2.82Å; D431-K462 PolarHBondContact OD1-NZ 3.1Å; D431-K462 IonicContact OD2-NZ 3.34Å; D431-K462 PolarHBondContact OD2-NZ 2.76Å
432	Q	91	Very high	93.4	Very high	20 Å²	20	47 Å²	47	9%	0.093	25%	0.248	C	C	.	.			trans	-62.3	114.7	178.9	-174.3	174.8	-48.1	0	0	109.8	Y387 L425 A429 M434	Y387-Q432 HydrophobicContact CE1-CG 4.12Å; L425-Q432 PolarHBondContact O-NE2 3.16Å; L425-Q432 PolarHBondContact O-OE1 2.85Å; A429-Q432 HydrophobicContact CB-CB 4.27Å; A429-Q432 WeakPolarHBondContact O-CB 3.41Å; A429-Q432 PolarHBondContact O-N 3.4Å; Q432-M434 WeakPolarHBondContact CG-O 3.34Å; Q432-M434 PolarHBondContact NE2-O 2.93Å; Q432-M434 PolarHBondContact O-N 3.01Å
433	P	93.8	Very high	93.5	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.071	25%	0.245	C	C	.	.	S	Bend	trans	-72.3	-16	-174.6	29.7	-37.1	0	0	0	113.3	A382 D431 M461 K462 W465	A382-P433 HydrophobicContact CB-CG 3.92Å; D431-P433 WeakPolarHBondContact O-CD 3.45Å; D431-P433 VanDerWaalsContact O-N 3.15Å; P433-M461 HydrophobicContact CB-CE 4.46Å; P433-M461 WeakPolarHBondContact O-CE 3.44Å; P433-K462 HydrophobicContact CB-CB 4.35Å; P433-K462 PolarHBondContact O-N 3.12Å; P433-W465 HydrophobicContact CB-CB 4.27Å; P433-W465 HydrophobicContact CB-CD2 3.38Å; P433-W465 HydrophobicContact CB-CE3 3.57Å; P433-W465 HydrophobicContact CB-CG 3.71Å; P433-W465 HydrophobicContact CB-CH2 4.42Å; P433-W465 HydrophobicContact CB-CZ2 4.27Å; P433-W465 HydrophobicContact CB-CZ3 4.1Å; P433-W465 HydrophobicContact CG-CD2 3.9Å; P433-W465 HydrophobicContact CG-CE3 3.52Å; P433-W465 HydrophobicContact CG-CH2 4.1Å; P433-W465 HydrophobicContact CG-CZ2 4.42Å; P433-W465 HydrophobicContact CG-CZ3 3.64Å
434	M	94.3	Very high	93.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.3	-178.7	178	-179	74.1	0	0	109.3	A382 V384 Y387 Q432 P436 L459 Y460 M461 A467	A382-M434 HydrophobicContact CB-CB 4.14Å; V384-M434 HydrophobicContact CG2-CE 4.13Å; V384-M434 HydrophobicContact CG2-SD 3.93Å; Y387-M434 HydrophobicContact CD2-CE 3.83Å; Y387-M434 HydrophobicContact CE2-CE 4.16Å; Q432-M434 WeakPolarHBondContact CG-O 3.34Å; Q432-M434 PolarHBondContact NE2-O 2.93Å; Q432-M434 PolarHBondContact O-N 3.01Å; M434-P436 WeakPolarHBondContact O-CD 3.41Å; M434-L459 HydrophobicContact CE-CD2 4.26Å; M434-L459 HydrophobicContact CG-CB 3.93Å; M434-L459 HydrophobicContact CG-CD1 4.44Å; M434-L459 HydrophobicContact CG-CD2 3.86Å; M434-L459 HydrophobicContact CG-CG 4.28Å; M434-L459 HydrophobicContact SD-CB 4.2Å; M434-L459 HydrophobicContact SD-CD1 3.61Å; M434-L459 HydrophobicContact SD-CD2 3.71Å; M434-L459 HydrophobicContact SD-CG 4.03Å; M434-Y460 CarbonylContact C-O 3.56Å; M434-M461 HydrophobicContact CB-CE 3.87Å; M434-M461 HydrophobicContact CB-SD 3.71Å; M434-M461 HydrophobicContact CG-SD 3.75Å; M434-A467 HydrophobicContact CG-CB 4.39Å; M434-A467 HydrophobicContact SD-CB 3.86Å
435	K	94.9	Very high	93.9	Very high	52 Å²	52	36.6 Å²	36.6	23%	0.226	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.1	174.1	-63.9	-172.8	-179.9	-175	0	109.4	Y437 Y460 F809	K435-Y437 HydrophobicContact CB-CD2 4.3Å; K435-Y437 HydrophobicContact CB-CE2 3.63Å; K435-Y437 WeakPolarHBondContact O-CD2 3.47Å; K435-Y460 HydrophobicContact CB-CD1 4.38Å; K435-Y460 HydrophobicContact CD-CD1 4.49Å; K435-Y460 PolarHBondContact N-O 3.19Å; K435-Y460 PolarHBondContact O-N 2.89Å; K435-F809 VanDerWaalsContact NZ-CE1 3.3Å; K435-F809 VanDerWaalsContact NZ-CZ 3.28Å
436	P	96.6	Very high	94.1	Very high	15 Å²	15	36.7 Å²	36.7	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.3	179.8	34.7	-35.8	0	0	0	110.6	I422 L425 S426 M434 H458 L459	I422-P436 HydrophobicContact CD1-CB 3.73Å; I422-P436 HydrophobicContact CG2-CB 4.09Å; I422-P436 HydrophobicContact CG2-CG 4.37Å; L425-P436 HydrophobicContact CB-CB 3.93Å; L425-P436 HydrophobicContact CB-CG 3.83Å; S426-P436 WeakPolarHBondContact OG-CG 3.42Å; M434-P436 WeakPolarHBondContact O-CD 3.41Å; P436-H458 CarbonylContact C-O 3.5Å; P436-H458 WeakPolarHBondContact CA-O 2.87Å; P436-L459 HydrophobicContact CB-CD2 3.87Å
437	Y	97.7	Very high	94.3	Very high	11 Å²	11	36 Å²	36	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.8	178.3	-76.9	-93.6	0	0	0	110.7	I422 K435 N441 L442 H458 E808 F825	I422-Y437 WeakPolarHBondContact CD1-O 3.45Å; K435-Y437 HydrophobicContact CB-CD2 4.3Å; K435-Y437 HydrophobicContact CB-CE2 3.63Å; K435-Y437 WeakPolarHBondContact O-CD2 3.47Å; Y437-N441 HydrophobicContact CD1-CB 4.12Å; Y437-N441 WeakPolarHBondContact CD1-O 3.2Å; Y437-L442 HydrophobicContact CD1-CD2 4.31Å; Y437-L442 HydrophobicContact CD2-CD2 4.04Å; Y437-L442 HydrophobicContact CG-CD2 3.79Å; Y437-H458 PolarHBondContact N-O 3.37Å; Y437-H458 PolarHBondContact O-N 3.22Å; Y437-E808 HydrophobicContact CE1-CG 3.71Å; Y437-E808 WeakPolarHBondContact OH-CG 3.21Å; Y437-E808 PolarHBondContact OH-OE1 2.99Å; Y437-F825 HydrophobicContact CE1-CE1 4.42Å; Y437-F825 HydrophobicContact CE2-CE1 4.43Å; Y437-F825 HydrophobicContact CE2-CZ 4.48Å; Y437-F825 AromaticContact CZ-CE1 3.81Å; Y437-F825 VanDerWaalsContact OH-CE1 3.22Å; Y437-F825 WeakPolarHBondContact OH-CE1 3.46Å
438	L	98	Very high	94.7	Very high	20 Å²	20	33.7 Å²	33.7	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.8	150.1	-58.1	168.7	0	0	0	107.5	E419 I422 E440 N441 R456	E419-L438 HydrophobicContact CG-CD1 3.96Å; I422-L438 HydrophobicContact CG1-CD2 3.85Å; I422-L438 HydrophobicContact CG1-CG 4.3Å; L438-E440 HydrophobicContact CB-CG 4.13Å; L438-E440 PolarHBondContact O-N 3.26Å; L438-E440 VanDerWaalsContact O-N 3.13Å; L438-N441 WeakPolarHBondContact O-CB 3.21Å; L438-N441 PolarHBondContact O-N 2.85Å; L438-R456 CarbonylContact C-O 3.56Å; L438-R456 VanDerWaalsContact CA-O 3.26Å; L438-R456 WeakPolarHBondContact CA-O 3.21Å; L438-R456 HydrophobicContact CD2-CG 4.19Å
439	K	97.2	Very high	95	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.087	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.5	-174.1	67.9	179.8	-176.6	168.9	0	113.4	N441 L442 A449 N451 I454 R456	K439-N441 PolarHBondContact O-N 2.8Å; K439-N441 VanDerWaalsContact O-N 3.15Å; K439-L442 HydrophobicContact CB-CD1 4.48Å; K439-L442 WeakPolarHBondContact O-CB 3.46Å; K439-L442 PolarHBondContact O-N 3.47Å; K439-A449 HydrophobicContact CB-CB 4.45Å; K439-A449 WeakPolarHBondContact CD-O 3.37Å; K439-A449 WeakPolarHBondContact CE-O 3.48Å; K439-A449 HydrophobicContact CG-CB 4.3Å; K439-A449 PolarHBondContact NZ-O 3.21Å; K439-N451 PolarHBondContact NZ-O 3.38Å; K439-I454 HydrophobicContact CB-CG2 4.23Å; K439-I454 HydrophobicContact CD-CB 4.19Å; K439-I454 HydrophobicContact CD-CG2 3.83Å; K439-I454 PolarHBondContact NZ-O 2.76Å; K439-I454 VanDerWaalsContact NZ-O 3.1Å; K439-R456 HydrophobicContact CG-CG 4.49Å; K439-R456 PolarHBondContact N-O 2.91Å
440	E	96.3	Very high	95.5	Very high	32 Å²	32	31.6 Å²	31.6	15%	0.15	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16.5	176.7	57.1	-94.3	-144.8	0	0	114	L438 R456 F751	L438-E440 HydrophobicContact CB-CG 4.13Å; L438-E440 PolarHBondContact O-N 3.26Å; L438-E440 VanDerWaalsContact O-N 3.13Å; E440-R456 IonicContact OE1-CZ 3Å; E440-R456 IonicContact OE1-NE 3.64Å; E440-R456 PolarHBondContact OE1-NE 2.57Å; E440-R456 IonicContact OE1-NH2 2.74Å; E440-R456 PolarHBondContact OE1-NH2 2.85Å; E440-R456 IonicContact OE2-NE 3.21Å; E440-F751 HydrophobicContact CB-CB 4.01Å; E440-F751 HydrophobicContact CB-CD1 4Å; E440-F751 HydrophobicContact CB-CG 4.01Å
441	N	96.2	Very high	96.4	Very high	36 Å²	36	25.6 Å²	25.6	19%	0.193	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-105.2	1.2	-179.3	-58.5	-29.9	0	0	0	113.5	Y437 L438 K439 K803	Y437-N441 HydrophobicContact CD1-CB 4.12Å; Y437-N441 WeakPolarHBondContact CD1-O 3.2Å; L438-N441 WeakPolarHBondContact O-CB 3.21Å; L438-N441 PolarHBondContact O-N 2.85Å; K439-N441 PolarHBondContact O-N 2.8Å; K439-N441 VanDerWaalsContact O-N 3.15Å; N441-K803 PolarHBondContact ND2-NZ 3.44Å; N441-K803 PolarHBondContact OD1-NZ 3.16Å
442	L	97.9	Very high	97	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	11%	0.111	C	C	.	.	S	Bend	trans	-65.1	154	172.5	-72.3	171.1	0	0	0	110.3	Y437 K439 K444 F448 H458	Y437-L442 HydrophobicContact CD1-CD2 4.31Å; Y437-L442 HydrophobicContact CD2-CD2 4.04Å; Y437-L442 HydrophobicContact CG-CD2 3.79Å; K439-L442 HydrophobicContact CB-CD1 4.48Å; K439-L442 WeakPolarHBondContact O-CB 3.46Å; K439-L442 PolarHBondContact O-N 3.47Å; L442-K444 PolarHBondContact O-N 3.49Å; L442-F448 HydrophobicContact CD1-CD1 4.15Å; L442-H458 HydrophobicContact CD1-CB 4.3Å
443	P	98.3	Very high	97.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	11%	0.108	C	C	.	.			trans	-51.9	127.3	174.7	-27.5	34.7	0	0	0	111.8	R445 M446 F825	P443-R445 HydrophobicContact CB-CG 3.97Å; P443-R445 PolarHBondContact O-N 3.29Å; P443-R445 VanDerWaalsContact O-N 3.11Å; P443-M446 HydrophobicContact CB-CG 4.45Å; P443-M446 HydrophobicContact CG-CE 4.1Å; P443-M446 WeakPolarHBondContact O-CB 3.1Å; P443-M446 PolarHBondContact O-N 2.88Å; P443-F825 HydrophobicContact CG-CD1 3.76Å; P443-F825 HydrophobicContact CG-CD2 4.2Å; P443-F825 HydrophobicContact CG-CE1 3.29Å; P443-F825 HydrophobicContact CG-CE2 3.75Å; P443-F825 HydrophobicContact CG-CG 4.2Å; P443-F825 HydrophobicContact CG-CZ 3.29Å
444	K	98.6	Very high	97.6	Very high	21 Å²	21	23.1 Å²	23.1	9%	0.091	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.3	-26.8	-174.1	-66.9	-66.2	176.2	174.3	0	113.9	L442 M446 H447 D748 H771 I799 L836	L442-K444 PolarHBondContact O-N 3.49Å; K444-M446 PolarHBondContact O-N 2.9Å; K444-H447 PolarHBondContact O-CD2 3.13Å; K444-H447 PolarHBondContact O-N 2.95Å; K444-H447 VanDerWaalsContact O-N 3.11Å; K444-D748 VanDerWaalsContact CE-OD2 3.22Å; K444-D748 WeakPolarHBondContact CE-OD2 3.29Å; K444-D748 IonicContact NZ-OD2 3.83Å; K444-D748 PolarHBondContact NZ-OD2 3.06Å; K444-H771 WeakPolarHBondContact CE-CE1 3.38Å; K444-H771 VanDerWaalsContact CE-NE2 3.33Å; K444-H771 WeakPolarHBondContact CE-NE2 3.35Å; K444-I799 HydrophobicContact CB-CD1 4.04Å; K444-I799 HydrophobicContact CB-CG2 4.2Å; K444-I799 HydrophobicContact CG-CG2 3.93Å; K444-L836 HydrophobicContact CB-CD1 4.14Å; K444-L836 HydrophobicContact CG-CD1 4.25Å
445	R	98.4	Very high	97.8	Very high	9 Å²	9	23.2 Å²	23.2	3%	0.034	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-56.7	-19.4	171.4	62.3	159.5	176	95.8	0.8	114.5	P443 D485 N486 L487 F825 I827	P443-R445 HydrophobicContact CB-CG 3.97Å; P443-R445 PolarHBondContact O-N 3.29Å; P443-R445 VanDerWaalsContact O-N 3.11Å; R445-D485 IonicContact CZ-OD1 3.52Å; R445-D485 IonicContact CZ-OD2 3.62Å; R445-D485 IonicContact NH1-OD1 2.88Å; R445-D485 PolarHBondContact NH1-OD1 3.34Å; R445-D485 IonicContact NH1-OD2 3.3Å; R445-D485 PolarHBondContact NH1-OD2 3.19Å; R445-D485 IonicContact NH2-OD1 3.93Å; R445-D485 PolarHBondContact NH2-OD1 3Å; R445-D485 IonicContact NH2-OD2 3.79Å; R445-D485 PolarHBondContact NH2-OD2 3.15Å; R445-N486 PolarHBondContact NH1-OD1 3.17Å; R445-N486 VanDerWaalsContact NH1-OD1 3.1Å; R445-L487 VanDerWaalsContact CZ-CD1 3.45Å; R445-F825 PolarHBondContact NE-O 3.23Å; R445-F825 PolarHBondContact NH2-O 2.72Å; R445-I827 WeakPolarHBondContact CD-O 3.5Å; R445-I827 WeakPolarHBondContact CG-O 3.37Å
446	M	98.6	Very high	97.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-79.7	-22.7	-179.9	-65.7	-175.1	178.9	0	0	112.9	Y199 P443 K444 F448 Y460 D485 F825	Y199-M446 HydrophobicContact CD1-CB 4.4Å; Y199-M446 HydrophobicContact CD1-SD 4.03Å; Y199-M446 HydrophobicContact CE1-SD 4.22Å; Y199-M446 HydrophobicContact CG-CG 4.41Å; Y199-M446 HydrophobicContact CG-SD 4.2Å; P443-M446 HydrophobicContact CB-CG 4.45Å; P443-M446 HydrophobicContact CG-CE 4.1Å; P443-M446 WeakPolarHBondContact O-CB 3.1Å; P443-M446 PolarHBondContact O-N 2.88Å; K444-M446 PolarHBondContact O-N 2.9Å; M446-F448 VanDerWaalsContact C-N 3.27Å; M446-F448 HydrophobicContact CB-CB 4.16Å; M446-F448 PolarHBondContact O-N 3.03Å; M446-Y460 HydrophobicContact CE-CD2 4.02Å; M446-Y460 HydrophobicContact CE-CE2 3.74Å; M446-D485 WeakPolarHBondContact CE-OD2 3.34Å; M446-F825 HydrophobicContact CE-CE2 4.26Å
447	H	98.8	Very high	98	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.065	10%	0.103	C	C	.	.			trans	44.5	54.1	-176	-65.2	-89.9	0	0	0	111.4	Y215 E217 K444 D832	Y215-H447 HydrophobicContact CD1-CB 3.78Å; Y215-H447 HydrophobicContact CD2-CB 3.48Å; Y215-H447 VanDerWaalsContact CD2-CB 3.48Å; Y215-H447 AromaticContact CD2-CG 3.52Å; Y215-H447 AromaticContact CD2-ND1 3.82Å; Y215-H447 HydrophobicContact CE1-CB 4.08Å; Y215-H447 AromaticContact CE1-CD2 3.85Å; Y215-H447 HydrophobicContact CE2-CB 3.81Å; Y215-H447 AromaticContact CE2-CD2 3.44Å; Y215-H447 VanDerWaalsContact CE2-CD2 3.44Å; Y215-H447 WeakPolarHBondContact CE2-CD2 3.48Å; Y215-H447 AromaticContact CE2-CE1 3.82Å; Y215-H447 AromaticContact CE2-CG 3.32Å; Y215-H447 AromaticContact CE2-ND1 3.58Å; Y215-H447 AromaticContact CE2-NE2 3.74Å; Y215-H447 HydrophobicContact CG-CB 3.48Å; Y215-H447 VanDerWaalsContact CG-CB 3.48Å; Y215-H447 AromaticContact CZ-CD2 3.3Å; Y215-H447 AromaticContact CZ-CG 3.64Å; Y215-H447 AromaticContact CZ-NE2 3.79Å; Y215-H447 PolarHBondContact OH-CD2 2.85Å; E217-H447 VanDerWaalsContact CG-O 3.29Å; E217-H447 WeakPolarHBondContact CG-O 3.24Å; E217-H447 WeakPolarHBondContact OE1-CB 3.06Å; K444-H447 PolarHBondContact O-CD2 3.13Å; K444-H447 PolarHBondContact O-N 2.95Å; K444-H447 VanDerWaalsContact O-N 3.11Å; H447-D832 IonicContact CD2-OD1 2.91Å; H447-D832 IonicContact CE1-OD1 2.93Å; H447-D832 IonicContact NE2-OD1 2.88Å; H447-D832 PolarHBondContact NE2-OD1 3.26Å
448	F	98.7	Very high	98	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.026	10%	0.101	C	C	.	.			trans	-136.3	53.9	-169.9	-162.4	-106.8	0	0	0	112.8	Y199 P200 E217 V222 L442 M446 I454 H458	Y199-F448 HydrophobicContact CD1-CB 4.06Å; Y199-F448 AromaticContact CD1-CD1 3.88Å; Y199-F448 HydrophobicContact CD1-CD1 3.88Å; Y199-F448 HydrophobicContact CD1-CD2 4.35Å; Y199-F448 HydrophobicContact CD1-CE1 4.45Å; Y199-F448 AromaticContact CD1-CG 3.83Å; Y199-F448 HydrophobicContact CD1-CG 3.83Å; Y199-F448 AromaticContact CE1-CD1 3.81Å; Y199-F448 HydrophobicContact CE1-CD1 3.81Å; Y199-F448 HydrophobicContact CE1-CE1 4.14Å; Y199-F448 HydrophobicContact CE1-CG 4.25Å; P200-F448 HydrophobicContact CG-CE2 4.29Å; P200-F448 HydrophobicContact CG-CZ 4.33Å; E217-F448 PolarHBondContact OE2-N 2.91Å; V222-F448 HydrophobicContact CB-CE2 3.94Å; V222-F448 HydrophobicContact CB-CZ 4.38Å; V222-F448 HydrophobicContact CG1-CE2 4.48Å; L442-F448 HydrophobicContact CD1-CD1 4.15Å; M446-F448 VanDerWaalsContact C-N 3.27Å; M446-F448 HydrophobicContact CB-CB 4.16Å; M446-F448 PolarHBondContact O-N 3.03Å; F448-I454 HydrophobicContact CD1-CD1 4.28Å; F448-I454 HydrophobicContact CD1-CG2 3.97Å; F448-I454 HydrophobicContact CD2-CD1 3.64Å; F448-I454 HydrophobicContact CD2-CG1 4.34Å; F448-I454 HydrophobicContact CE1-CD1 4.34Å; F448-I454 HydrophobicContact CE1-CG1 4.27Å; F448-I454 HydrophobicContact CE1-CG2 3.61Å; F448-I454 HydrophobicContact CE2-CD1 3.7Å; F448-I454 HydrophobicContact CE2-CG1 3.89Å; F448-I454 HydrophobicContact CG-CD1 3.94Å; F448-I454 HydrophobicContact CZ-CD1 4.07Å; F448-I454 HydrophobicContact CZ-CG1 3.86Å; F448-I454 HydrophobicContact CZ-CG2 4.03Å; F448-H458 AromaticContact CE1-CE1 3.7Å; F448-H458 AromaticContact CE1-ND1 3.9Å
449	A	98.4	Very high	98	Very high	6 Å²	6	22 Å²	22	5%	0.05	10%	0.096	C	C	.	.	S	Bend	trans	-136.8	-42.7	177.7	0	0	0	0	0	113.3	E217 K439 N451 F751	E217-A449 PolarHBondContact OE2-N 3.42Å; K439-A449 HydrophobicContact CB-CB 4.45Å; K439-A449 WeakPolarHBondContact CD-O 3.37Å; K439-A449 WeakPolarHBondContact CE-O 3.48Å; K439-A449 HydrophobicContact CG-CB 4.3Å; K439-A449 PolarHBondContact NZ-O 3.21Å; A449-N451 PolarHBondContact O-N 2.84Å; A449-F751 HydrophobicContact CB-CB 4.21Å; A449-F751 HydrophobicContact CB-CD2 3.79Å; A449-F751 HydrophobicContact CB-CG 4.34Å
450	Y	97.9	Very high	98	Very high	118 Å²	118	21.9 Å²	21.9	46%	0.463	10%	0.095	S	C	.	.	S	Bend	trans	-80.9	52.4	-168.1	-162.7	-104.2	0	0	0	113.9	E217 D750 F751 D752	E217-Y450 PolarHBondContact OE2-N 3.23Å; Y450-D750 VanDerWaalsContact CD2-O 3.31Å; Y450-D750 WeakPolarHBondContact CD2-O 3.46Å; Y450-F751 HydrophobicContact CD2-CD2 4.14Å; Y450-F751 HydrophobicContact CD2-CE2 4.05Å; Y450-D752 HydrophobicContact CD1-CB 4.09Å; Y450-D752 HydrophobicContact CD2-CB 3.4Å; Y450-D752 VanDerWaalsContact CD2-CB 3.4Å; Y450-D752 HydrophobicContact CE1-CB 4.26Å; Y450-D752 HydrophobicContact CE2-CB 3.57Å; Y450-D752 HydrophobicContact CG-CB 3.67Å
451	N	98.4	Very high	98.1	Very high	24 Å²	24	20.5 Å²	20.5	13%	0.128	9%	0.089	C	C	.	.			trans	-150.1	135.9	169.2	-161.3	-65.6	0	0	0	110.8	E217 V222 K439 A449 R453 I454	E217-N451 HydrophobicContact CB-CB 4.14Å; E217-N451 WeakPolarHBondContact O-CB 3.49Å; E217-N451 PolarHBondContact O-ND2 2.64Å; V222-N451 HydrophobicContact CG1-CB 4.29Å; K439-N451 PolarHBondContact NZ-O 3.38Å; A449-N451 PolarHBondContact O-N 2.84Å; N451-R453 PolarHBondContact O-N 3.16Å; N451-R453 VanDerWaalsContact O-N 3.16Å; N451-R453 VanDerWaalsContact OD1-CB 3.24Å; N451-R453 WeakPolarHBondContact OD1-CB 3.22Å; N451-R453 VanDerWaalsContact OD1-CG 3.32Å; N451-R453 WeakPolarHBondContact OD1-CG 3.44Å; N451-R453 PolarHBondContact OD1-N 2.8Å; N451-I454 HydrophobicContact CB-CD1 3.97Å; N451-I454 HydrophobicContact CB-CG1 4.11Å; N451-I454 WeakPolarHBondContact O-CB 3.42Å; N451-I454 PolarHBondContact O-N 2.76Å
452	K	97.1	Very high	98	Very high	81 Å²	81	23.2 Å²	23.2	35%	0.352	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.5	175.7	66.4	-177.7	171.1	-166.1	0	114.2	D228 T230 Y413	D228-K452 VanDerWaalsContact OD1-CE 3.23Å; D228-K452 WeakPolarHBondContact OD1-CE 3.34Å; D228-K452 IonicContact OD1-NZ 3.64Å; D228-K452 VanDerWaalsContact OD2-CE 3.28Å; D228-K452 WeakPolarHBondContact OD2-CE 3.39Å; D228-K452 IonicContact OD2-NZ 3.94Å; T230-K452 HydrophobicContact CG2-CD 3.63Å; T230-K452 WeakPolarHBondContact OG1-CE 3.45Å; T230-K452 PolarHBondContact OG1-NZ 2.88Å; Y413-K452 PolarHBondContact OH-O 2.8Å
453	R	98.4	Very high	97.9	Very high	10 Å²	10	27 Å²	27	4%	0.038	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.6	175	-61.7	169.7	-177	161.5	6.3	112.1	G220 V222 D228 N246 W247 N451	G220-R453 VanDerWaalsContact O-CD 3.29Å; G220-R453 WeakPolarHBondContact O-CD 3.31Å; G220-R453 PolarHBondContact O-NH1 2.86Å; V222-R453 HydrophobicContact CG2-CB 3.74Å; D228-R453 HydrophobicContact CB-CG 4.18Å; D228-R453 IonicContact OD2-CZ 2.67Å; D228-R453 IonicContact OD2-NE 3.23Å; D228-R453 PolarHBondContact OD2-NE 2.9Å; D228-R453 IonicContact OD2-NH2 2.68Å; D228-R453 PolarHBondContact OD2-NH2 2.84Å; D228-R453 VanDerWaalsContact OD2-NH2 3.09Å; N246-R453 PolarHBondContact O-NH2 3.18Å; W247-R453 HydrophobicContact CZ3-CG 4.34Å; W247-R453 PolarHBondContact O-NH1 3.38Å; N451-R453 PolarHBondContact O-N 3.16Å; N451-R453 VanDerWaalsContact O-N 3.16Å; N451-R453 VanDerWaalsContact OD1-CB 3.24Å; N451-R453 WeakPolarHBondContact OD1-CB 3.22Å; N451-R453 VanDerWaalsContact OD1-CG 3.32Å; N451-R453 WeakPolarHBondContact OD1-CG 3.44Å; N451-R453 PolarHBondContact OD1-N 2.8Å
454	I	98.6	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-85.8	111	171	-57.4	169.7	0	0	0	106.6	E217 V222 K439 F448 N451	E217-I454 HydrophobicContact CB-CD1 3.95Å; V222-I454 HydrophobicContact CB-CD1 4.47Å; V222-I454 HydrophobicContact CB-CG1 3.86Å; V222-I454 HydrophobicContact CG1-CD1 3.96Å; V222-I454 HydrophobicContact CG1-CG1 3.66Å; V222-I454 HydrophobicContact CG2-CG1 4.06Å; K439-I454 HydrophobicContact CB-CG2 4.23Å; K439-I454 HydrophobicContact CD-CB 4.19Å; K439-I454 HydrophobicContact CD-CG2 3.83Å; K439-I454 PolarHBondContact NZ-O 2.76Å; K439-I454 VanDerWaalsContact NZ-O 3.1Å; F448-I454 HydrophobicContact CD1-CD1 4.28Å; F448-I454 HydrophobicContact CD1-CG2 3.97Å; F448-I454 HydrophobicContact CD2-CD1 3.64Å; F448-I454 HydrophobicContact CD2-CG1 4.34Å; F448-I454 HydrophobicContact CE1-CD1 4.34Å; F448-I454 HydrophobicContact CE1-CG1 4.27Å; F448-I454 HydrophobicContact CE1-CG2 3.61Å; F448-I454 HydrophobicContact CE2-CD1 3.7Å; F448-I454 HydrophobicContact CE2-CG1 3.89Å; F448-I454 HydrophobicContact CG-CD1 3.94Å; F448-I454 HydrophobicContact CZ-CD1 4.07Å; F448-I454 HydrophobicContact CZ-CG1 3.86Å; F448-I454 HydrophobicContact CZ-CG2 4.03Å; N451-I454 HydrophobicContact CB-CD1 3.97Å; N451-I454 HydrophobicContact CB-CG1 4.11Å; N451-I454 WeakPolarHBondContact O-CB 3.42Å; N451-I454 PolarHBondContact O-N 2.76Å
455	E	98.4	Very high	97.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.126	C	C	.	.			trans	-57.4	142.4	174.4	-71.3	90	179.7	0	0	111.4	I397 R403 I404 R405 Y413 G457	I397-E455 HydrophobicContact CD1-CG 4.46Å; R403-E455 HydrophobicContact CB-CB 4.19Å; R403-E455 WeakPolarHBondContact CD-OE2 3.35Å; R403-E455 IonicContact NE-OE2 3.86Å; R403-E455 PolarHBondContact NE-OE2 2.88Å; R403-E455 VanDerWaalsContact NE-OE2 3.08Å; I404-E455 VanDerWaalsContact O-CB 3.28Å; I404-E455 WeakPolarHBondContact O-CB 3.38Å; R405-E455 HydrophobicContact CB-CG 3.91Å; R405-E455 HydrophobicContact CG-CG 4.13Å; R405-E455 IonicContact CZ-OE1 3.69Å; R405-E455 IonicContact NH1-OE1 3.54Å; R405-E455 PolarHBondContact NH1-OE1 2.78Å; Y413-E455 HydrophobicContact CE2-CG 4.47Å; E455-G457 VanDerWaalsContact C-N 3.32Å; E455-G457 PolarHBondContact O-N 2.91Å
456	R	97.9	Very high	97.7	Very high	72 Å²	72	29 Å²	29	27%	0.272	13%	0.125	S	C	.	.	S	Bend	trans	-65.7	-35	-176.2	-166.9	173.9	178.6	-142	-4.2	112.8	Y418 E419 L438 K439 E440	Y418-R456 HydrophobicContact CD1-CB 4.17Å; Y418-R456 HydrophobicContact CD2-CB 3.95Å; Y418-R456 HydrophobicContact CD2-CG 4.44Å; Y418-R456 HydrophobicContact CE1-CB 4.28Å; Y418-R456 HydrophobicContact CE2-CB 4.05Å; Y418-R456 HydrophobicContact CG-CB 3.99Å; Y418-R456 HydrophobicContact CG-CG 4.38Å; E419-R456 IonicContact OE1-CZ 3.53Å; E419-R456 IonicContact OE1-NH1 3.47Å; E419-R456 PolarHBondContact OE1-NH1 3Å; E419-R456 IonicContact OE1-NH2 3.46Å; E419-R456 PolarHBondContact OE1-NH2 3.25Å; E419-R456 IonicContact OE2-CZ 2.69Å; E419-R456 IonicContact OE2-NH1 2.75Å; E419-R456 PolarHBondContact OE2-NH1 2.82Å; E419-R456 IonicContact OE2-NH2 3.52Å; L438-R456 CarbonylContact C-O 3.56Å; L438-R456 VanDerWaalsContact CA-O 3.26Å; L438-R456 WeakPolarHBondContact CA-O 3.21Å; L438-R456 HydrophobicContact CD2-CG 4.19Å; K439-R456 HydrophobicContact CG-CG 4.49Å; K439-R456 PolarHBondContact N-O 2.91Å; E440-R456 IonicContact OE1-CZ 3Å; E440-R456 IonicContact OE1-NE 3.64Å; E440-R456 PolarHBondContact OE1-NE 2.57Å; E440-R456 IonicContact OE1-NH2 2.74Å; E440-R456 PolarHBondContact OE1-NH2 2.85Å; E440-R456 IonicContact OE2-NE 3.21Å
457	G	98.2	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.1	173	0	0	0	0	0	111.9	R403 I404 E455	R403-G457 CarbonylContact C-O 3.59Å; R403-G457 WeakPolarHBondContact CA-O 3.09Å; I404-G457 PolarHBondContact N-O 3.24Å; E455-G457 VanDerWaalsContact C-N 3.32Å; E455-G457 PolarHBondContact O-N 2.91Å
458	H	98.4	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150	-178.1	-163.2	85.7	0	0	0	111.1	Y199 R403 P436 Y437 L442 F448	Y199-H458 AromaticContact CE1-CE1 3.79Å; Y199-H458 AromaticContact CE1-NE2 3.66Å; Y199-H458 AromaticContact CZ-NE2 3.64Å; Y199-H458 PolarHBondContact OH-CE1 2.84Å; Y199-H458 PolarHBondContact OH-NE2 3.28Å; R403-H458 VanDerWaalsContact CG-ND1 3.27Å; R403-H458 WeakPolarHBondContact CG-ND1 3.16Å; P436-H458 CarbonylContact C-O 3.5Å; P436-H458 WeakPolarHBondContact CA-O 2.87Å; Y437-H458 PolarHBondContact N-O 3.37Å; Y437-H458 PolarHBondContact O-N 3.22Å; L442-H458 HydrophobicContact CD1-CB 4.3Å; F448-H458 AromaticContact CE1-CE1 3.7Å; F448-H458 AromaticContact CE1-ND1 3.9Å
459	L	97.9	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	96.8	-177.8	-61.3	175.1	0	0	0	108.4	V384 V396 A402 I404 L425 M434 P436 A467	V384-L459 HydrophobicContact CG2-CD1 3.77Å; V396-L459 HydrophobicContact CG1-CD1 4.17Å; A402-L459 HydrophobicContact CB-CB 3.92Å; A402-L459 HydrophobicContact CB-CD1 4.01Å; A402-L459 HydrophobicContact CB-CG 4.49Å; A402-L459 WeakPolarHBondContact O-CB 3.41Å; A402-L459 PolarHBondContact O-N 2.97Å; I404-L459 HydrophobicContact CD1-CD1 4.18Å; I404-L459 HydrophobicContact CD1-CD2 3.99Å; I404-L459 HydrophobicContact CD1-CG 4.16Å; I404-L459 HydrophobicContact CG1-CD1 4.07Å; I404-L459 HydrophobicContact CG1-CG 4.25Å; L425-L459 HydrophobicContact CD1-CD2 4.32Å; M434-L459 HydrophobicContact CE-CD2 4.26Å; M434-L459 HydrophobicContact CG-CB 3.93Å; M434-L459 HydrophobicContact CG-CD1 4.44Å; M434-L459 HydrophobicContact CG-CD2 3.86Å; M434-L459 HydrophobicContact CG-CG 4.28Å; M434-L459 HydrophobicContact SD-CB 4.2Å; M434-L459 HydrophobicContact SD-CD1 3.61Å; M434-L459 HydrophobicContact SD-CD2 3.71Å; M434-L459 HydrophobicContact SD-CG 4.03Å; P436-L459 HydrophobicContact CB-CD2 3.87Å; L459-A467 HydrophobicContact CD1-CB 4.26Å
460	Y	97.6	Very high	97.4	Very high	19 Å²	19	33.3 Å²	33.3	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.7	175.3	177.4	-91.6	0	0	0	110	M434 K435 M446 D485 F488 F825	M434-Y460 CarbonylContact C-O 3.56Å; K435-Y460 HydrophobicContact CB-CD1 4.38Å; K435-Y460 HydrophobicContact CD-CD1 4.49Å; K435-Y460 PolarHBondContact N-O 3.19Å; K435-Y460 PolarHBondContact O-N 2.89Å; M446-Y460 HydrophobicContact CE-CD2 4.02Å; M446-Y460 HydrophobicContact CE-CE2 3.74Å; Y460-D485 HydrophobicContact CE2-CB 3.87Å; Y460-D485 VanDerWaalsContact CE2-OD2 3.29Å; Y460-D485 WeakPolarHBondContact CE2-OD2 3.29Å; Y460-D485 PolarHBondContact OH-OD2 3.14Å; Y460-D485 VanDerWaalsContact OH-OD2 3.05Å; Y460-F488 VanDerWaalsContact OH-CZ 3.29Å; Y460-F488 WeakPolarHBondContact OH-CZ 3.39Å; Y460-F825 HydrophobicContact CD1-CE2 4.15Å; Y460-F825 HydrophobicContact CD1-CZ 4.16Å; Y460-F825 HydrophobicContact CD2-CE2 4.03Å; Y460-F825 HydrophobicContact CD2-CZ 4.08Å; Y460-F825 HydrophobicContact CE1-CD2 4.45Å; Y460-F825 AromaticContact CE1-CE2 3.68Å; Y460-F825 HydrophobicContact CE1-CE2 3.68Å; Y460-F825 HydrophobicContact CE1-CZ 4.16Å; Y460-F825 AromaticContact CE2-CE2 3.56Å; Y460-F825 HydrophobicContact CE2-CE2 3.56Å; Y460-F825 HydrophobicContact CE2-CZ 4.09Å; Y460-F825 HydrophobicContact CG-CE2 4.3Å; Y460-F825 HydrophobicContact CG-CZ 4.11Å; Y460-F825 AromaticContact CZ-CE2 3.36Å
461	M	97.2	Very high	97.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.4	-176.1	-59.9	-52.4	-56.3	0	0	112	A382 P400 P433 M434 W465 A467	A382-M461 HydrophobicContact CB-CE 3.98Å; P400-M461 VanDerWaalsContact O-CG 3.29Å; P400-M461 WeakPolarHBondContact O-CG 3.05Å; P433-M461 HydrophobicContact CB-CE 4.46Å; P433-M461 WeakPolarHBondContact O-CE 3.44Å; M434-M461 HydrophobicContact CB-CE 3.87Å; M434-M461 HydrophobicContact CB-SD 3.71Å; M434-M461 HydrophobicContact CG-SD 3.75Å; M461-W465 HydrophobicContact CB-CB 4.39Å; M461-W465 WeakPolarHBondContact CB-O 3.3Å; M461-W465 HydrophobicContact CE-CB 3.67Å; M461-A467 HydrophobicContact CE-CB 4.1Å; M461-A467 HydrophobicContact CG-CB 4.44Å; M461-A467 HydrophobicContact SD-CB 3.46Å; M461-A467 WeakPolarHBondContact SD-CB 3.48Å
462	K	95.3	Very high	96.8	Very high	92 Å²	92	40.5 Å²	40.5	40%	0.4	18%	0.183	S	C	.	.			trans	-54.4	149.8	163.8	-170.1	173.6	-174.1	172.3	0	109.9	D431 P433 G464 W465	D431-K462 VanDerWaalsContact CG-NZ 3.29Å; D431-K462 IonicContact OD1-NZ 2.82Å; D431-K462 PolarHBondContact OD1-NZ 3.1Å; D431-K462 IonicContact OD2-NZ 3.34Å; D431-K462 PolarHBondContact OD2-NZ 2.76Å; P433-K462 HydrophobicContact CB-CB 4.35Å; P433-K462 PolarHBondContact O-N 3.12Å; K462-G464 PolarHBondContact O-N 2.75Å; K462-W465 HydrophobicContact CB-CG 4.46Å; K462-W465 WeakPolarHBondContact O-CB 3.3Å; K462-W465 PolarHBondContact O-N 2.84Å
463	E	95.4	Very high	96.5	Very high	88 Å²	88	40.4 Å²	40.4	41%	0.411	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	136.1	179.2	-171.9	173.6	-158	0	0	111.9	W465 F488	E463-W465 PolarHBondContact O-N 3.46Å; E463-F488 VanDerWaalsContact CA-CE2 3.41Å; E463-F488 HydrophobicContact CB-CD1 4.33Å; E463-F488 HydrophobicContact CB-CD2 3.94Å; E463-F488 HydrophobicContact CB-CE1 4.12Å; E463-F488 HydrophobicContact CB-CE2 3.73Å; E463-F488 HydrophobicContact CB-CG 4.26Å; E463-F488 HydrophobicContact CB-CZ 3.83Å; E463-F488 HydrophobicContact CG-CB 4.45Å; E463-F488 HydrophobicContact CG-CD1 4.41Å; E463-F488 HydrophobicContact CG-CD2 3.83Å; E463-F488 HydrophobicContact CG-CE2 4.16Å; E463-F488 HydrophobicContact CG-CG 3.99Å
464	G	96.4	Very high	96.2	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-1.3	-175.9	0	0	0	0	0	116.1	R380 K462	R380-G464 VanDerWaalsContact CB-O 3.32Å; R380-G464 WeakPolarHBondContact CB-O 3.5Å; R380-G464 PolarHBondContact NE-O 2.68Å; K462-G464 PolarHBondContact O-N 2.75Å
465	W	97.7	Very high	95.7	Very high	65 Å²	65	46.8 Å²	46.8	25%	0.246	22%	0.215	C	C	.	.			trans	-104.6	153.2	179.2	-71.6	77.8	0	0	0	113.8	Q379 R380 A382 P433 M461 K462 E463	Q379-W465 VanDerWaalsContact O-CH2 3.27Å; Q379-W465 WeakPolarHBondContact O-CH2 3.38Å; R380-W465 VanDerWaalsContact CA-CE3 3.49Å; R380-W465 HydrophobicContact CB-CD2 3.91Å; R380-W465 HydrophobicContact CB-CE3 4.23Å; R380-W465 HydrophobicContact CB-CG 4.19Å; R380-W465 HydrophobicContact CB-CZ2 4.49Å; R380-W465 HydrophobicContact CG-CZ2 4.36Å; R380-W465 WeakPolarHBondContact O-CA 3.39Å; A382-W465 HydrophobicContact CB-CE3 4.43Å; P433-W465 HydrophobicContact CB-CB 4.27Å; P433-W465 HydrophobicContact CB-CD2 3.38Å; P433-W465 HydrophobicContact CB-CE3 3.57Å; P433-W465 HydrophobicContact CB-CG 3.71Å; P433-W465 HydrophobicContact CB-CH2 4.42Å; P433-W465 HydrophobicContact CB-CZ2 4.27Å; P433-W465 HydrophobicContact CB-CZ3 4.1Å; P433-W465 HydrophobicContact CG-CD2 3.9Å; P433-W465 HydrophobicContact CG-CE3 3.52Å; P433-W465 HydrophobicContact CG-CH2 4.1Å; P433-W465 HydrophobicContact CG-CZ2 4.42Å; P433-W465 HydrophobicContact CG-CZ3 3.64Å; M461-W465 HydrophobicContact CB-CB 4.39Å; M461-W465 WeakPolarHBondContact CB-O 3.3Å; M461-W465 HydrophobicContact CE-CB 3.67Å; K462-W465 HydrophobicContact CB-CG 4.46Å; K462-W465 WeakPolarHBondContact O-CB 3.3Å; K462-W465 PolarHBondContact O-N 2.84Å; E463-W465 PolarHBondContact O-N 3.46Å
466	Q	97.2	Very high	95.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.1	171.3	-60.5	178.9	84.2	0	0	110.2	R380 A381 A382 P400 Y476 F481	R380-Q466 PolarHBondContact O-N 3.39Å; R380-Q466 VanDerWaalsContact O-N 3.16Å; A381-Q466 CarbonylContact C-O 3.58Å; A381-Q466 WeakPolarHBondContact CA-O 3.19Å; A382-Q466 PolarHBondContact N-O 3.38Å; P400-Q466 HydrophobicContact CB-CG 4.28Å; Q466-Y476 PolarHBondContact NE2-O 2.95Å; Q466-Y476 VanDerWaalsContact NE2-O 3.09Å; Q466-F481 VanDerWaalsContact CD-CD2 3.48Å; Q466-F481 HydrophobicContact CG-CD1 4.06Å; Q466-F481 HydrophobicContact CG-CD2 3.59Å; Q466-F481 HydrophobicContact CG-CE1 3.9Å; Q466-F481 HydrophobicContact CG-CE2 3.47Å; Q466-F481 VanDerWaalsContact CG-CE2 3.47Å; Q466-F481 HydrophobicContact CG-CG 3.89Å; Q466-F481 HydrophobicContact CG-CZ 3.6Å
467	A	97.1	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.7	172.9	0	0	0	0	0	112.3	A382 Q398 G399 A402 M434 L459 M461	A382-A467 VanDerWaalsContact O-CA 3.31Å; A382-A467 WeakPolarHBondContact O-CA 3.37Å; Q398-A467 CarbonylContact C-O 3.45Å; Q398-A467 WeakPolarHBondContact CA-O 3.31Å; Q398-A467 WeakPolarHBondContact CB-O 3.43Å; G399-A467 PolarHBondContact N-O 3.25Å; G399-A467 PolarHBondContact O-N 3.46Å; A402-A467 HydrophobicContact CB-CB 3.78Å; M434-A467 HydrophobicContact CG-CB 4.39Å; M434-A467 HydrophobicContact SD-CB 3.86Å; L459-A467 HydrophobicContact CD1-CB 4.26Å; M461-A467 HydrophobicContact CE-CB 4.1Å; M461-A467 HydrophobicContact CG-CB 4.44Å; M461-A467 HydrophobicContact SD-CB 3.46Å; M461-A467 WeakPolarHBondContact SD-CB 3.48Å
468	A	97.1	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	172.1	169.5	0	0	0	0	0	110.2	A382 Y383 V384 Q398 D473 V474	A382-A468 PolarHBondContact O-N 3.31Å; Y383-A468 WeakPolarHBondContact CA-O 3.49Å; V384-A468 PolarHBondContact N-O 3.31Å; Q398-A468 HydrophobicContact CB-CB 3.83Å; A468-D473 HydrophobicContact CB-CB 4.07Å; A468-V474 HydrophobicContact CB-CG2 3.51Å
469	L	96.9	Very high	94.6	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.073	26%	0.256	C	S	.	.	S	Bend	trans	-70	-53.1	176	-175.7	59.5	0	0	0	110.8	V384 S385 T391 F394 V396 D473	V384-L469 HydrophobicContact CB-CD1 4.07Å; V384-L469 HydrophobicContact CG1-CD1 4.3Å; V384-L469 PolarHBondContact N-O 2.78Å; S385-L469 WeakPolarHBondContact CB-O 3.08Å; S385-L469 PolarHBondContact N-O 3.13Å; S385-L469 PolarHBondContact OG-O 2.66Å; T391-L469 HydrophobicContact CG2-CD1 3.79Å; F394-L469 HydrophobicContact CD2-CD1 4.28Å; F394-L469 HydrophobicContact CE2-CD1 3.58Å; F394-L469 HydrophobicContact CZ-CD1 4.24Å; V396-L469 HydrophobicContact CB-CB 3.97Å; V396-L469 HydrophobicContact CG2-CB 3.94Å; V396-L469 HydrophobicContact CG2-CD1 3.87Å; V396-L469 HydrophobicContact CG2-CG 4.48Å; L469-D473 WeakPolarHBondContact CB-OD2 3.04Å
470	K	95.5	Very high	94.6	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	26%	0.256	S	S	.	.	S	Bend	trans	-130.3	171.5	177.4	-57.3	178.5	-177.7	-179.6	0	111.1	D472 D473	K470-D472 VanDerWaalsContact C-N 3.33Å; K470-D472 PolarHBondContact O-N 2.94Å; K470-D473 WeakPolarHBondContact CB-OD2 3.43Å; K470-D473 PolarHBondContact N-OD2 3.13Å; K470-D473 WeakPolarHBondContact O-CB 3.19Å; K470-D473 PolarHBondContact O-N 3.36Å; K470-D473 VanDerWaalsContact O-N 3.14Å
471	K	92.8	Very high	94.6	Very high	141 Å²	141	51.4 Å²	51.4	61%	0.613	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-55.7	-44.2	179.3	-171.8	173.8	179.6	-179	0	113.7	Y383 D473 V474	Y383-K471 HydrophobicContact CD1-CB 4.42Å; Y383-K471 HydrophobicContact CE1-CB 4.02Å; Y383-K471 HydrophobicContact CE1-CG 4.25Å; K471-D473 PolarHBondContact O-N 3.25Å; K471-V474 PolarHBondContact O-N 3.17Å
472	D	91.3	Very high	94.7	Very high	153 Å²	153	51.4 Å²	51.4	82%	0.818	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-73.8	-10.3	-176.8	-58.1	-25.1	0	0	0	113.2	K470	K470-D472 VanDerWaalsContact C-N 3.33Å; K470-D472 PolarHBondContact O-N 2.94Å
473	D	92.1	Very high	94.8	Very high	78 Å²	78	47 Å²	47	42%	0.417	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-88.1	-11	-179.6	-60.1	-42.6	0	0	0	112.9	A468 L469 K470 K471 K475	A468-D473 HydrophobicContact CB-CB 4.07Å; L469-D473 WeakPolarHBondContact CB-OD2 3.04Å; K470-D473 WeakPolarHBondContact CB-OD2 3.43Å; K470-D473 PolarHBondContact N-OD2 3.13Å; K470-D473 WeakPolarHBondContact O-CB 3.19Å; K470-D473 PolarHBondContact O-N 3.36Å; K470-D473 VanDerWaalsContact O-N 3.14Å; K471-D473 PolarHBondContact O-N 3.25Å; D473-K475 PolarHBondContact O-N 3.18Å
474	V	91	Very high	95	Very high	18 Å²	18	42.9 Å²	42.9	11%	0.109	21%	0.214	C	C	.	.			trans	-71.5	122.3	178.9	175.8	0	0	0	0	110	A381 Y383 A468 K471	A381-V474 HydrophobicContact CB-CG2 4.01Å; Y383-V474 HydrophobicContact CD1-CG2 4.33Å; Y383-V474 HydrophobicContact CE1-CG2 3.62Å; A468-V474 HydrophobicContact CB-CG2 3.51Å; K471-V474 PolarHBondContact O-N 3.17Å
475	K	88.6	Confident	95.1	Very high	126 Å²	126	42.8 Å²	42.8	55%	0.548	21%	0.212	S	C	.	.	S	Bend	trans	-77.1	-44.1	-178.8	-174.5	-179.8	174.6	-157.9	0	112.8	D473	D473-K475 PolarHBondContact O-N 3.18Å
476	Y	89.1	Confident	95.1	Very high	37 Å²	37	40 Å²	40	15%	0.145	20%	0.202	C	C	.	.			trans	-115.7	98.8	-173.2	-58	-76.5	0	0	0	109.7	H327 Q466 G480 F481	H327-Y476 HydrophobicContact CB-CE1 4.2Å; H327-Y476 AromaticContact CE1-CE1 3.78Å; H327-Y476 AromaticContact CE1-CE2 3.85Å; H327-Y476 AromaticContact CE1-CZ 3.36Å; H327-Y476 PolarHBondContact CE1-OH 2.94Å; H327-Y476 VanDerWaalsContact CE1-OH 3.23Å; H327-Y476 AromaticContact CG-CE1 3.83Å; H327-Y476 AromaticContact ND1-CD1 3.94Å; H327-Y476 AromaticContact ND1-CE1 3.35Å; H327-Y476 VanDerWaalsContact ND1-CE1 3.35Å; H327-Y476 WeakPolarHBondContact ND1-CE1 3.45Å; H327-Y476 AromaticContact ND1-CZ 3.46Å; H327-Y476 AromaticContact NE2-CZ 3.8Å; H327-Y476 PolarHBondContact NE2-OH 3.34Å; H327-Y476 VanDerWaalsContact NE2-OH 3.16Å; Q466-Y476 PolarHBondContact NE2-O 2.95Å; Q466-Y476 VanDerWaalsContact NE2-O 3.09Å; Y476-G480 WeakPolarHBondContact CD1-O 3.31Å; Y476-F481 HydrophobicContact CD2-CB 4.08Å; Y476-F481 HydrophobicContact CG-CB 4.26Å
477	C	88.6	Confident	95.1	Very high	37 Å²	37	41.6 Å²	41.6	25%	0.25	21%	0.21	C	C	.	.	S	Bend	trans	-104.4	-20.4	-179.6	-126.4	0	0	0	0	112.1	S377 C378	S377-C477 CarbonylContact C-O 3.48Å; S377-C477 VanDerWaalsContact CA-O 3.32Å; S377-C477 WeakPolarHBondContact CA-O 3.33Å; C378-C477 HydrophobicContact CB-CB 4.38Å; C378-C477 WeakPolarHBondContact CB-SG 3.33Å; C378-C477 PolarHBondContact N-O 3.25Å; C378-C477 VanDerWaalsContact N-O 3.11Å; C378-C477 WeakPolarHBondContact SG-CB 3.25Å; C378-C477 CovalentContact SG-SG 2.04Å; C378-C477 PolarHBondContact SG-SG 2.91Å
478	T	94.3	Very high	95.2	Very high	109 Å²	109	42.9 Å²	42.9	67%	0.669	22%	0.216	S	C	*	.	S	Bend	trans	-139.4	162.5	173.1	56.1	0	0	0	0	108
479	G	97.1	Very high	95.1	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	24%	0.238	C	C	.	.	S	Bend	trans	82.5	-136.5	-179.4	0	0	0	0	0	111.4	H327 G330 A376	H327-G479 WeakPolarHBondContact O-CA 3.48Å; G330-G479 VanDerWaalsContact CA-C 3.42Å; A376-G479 WeakPolarHBondContact CB-O 3.41Å; A376-G479 PolarHBondContact N-O 3.48Å
480	G	97.9	Very high	95.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.7	-174	0	0	0	0	0	114.1	G326 H327 E374 Y476	G326-G480 VanDerWaalsContact O-CA 3.23Å; G326-G480 WeakPolarHBondContact O-CA 3.44Å; G326-G480 PolarHBondContact O-N 3.41Å; H327-G480 PolarHBondContact ND1-O 3.48Å; H327-G480 PolarHBondContact O-N 3.35Å; E374-G480 CarbonylContact O-C 3.41Å; E374-G480 WeakPolarHBondContact O-CA 3.4Å; Y476-G480 WeakPolarHBondContact CD1-O 3.31Å
481	F	98.2	Very high	95.4	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.2	166.7	76.4	-86.8	0	0	0	111.3	M373 E374 E375 A376 P400 Q466 Y476	M373-F481 PolarHBondContact SD-N 2.77Å; M373-F481 VanDerWaalsContact SD-N 3.43Å; E374-F481 WeakPolarHBondContact CA-O 3.42Å; E374-F481 HydrophobicContact CB-CD1 4.34Å; E374-F481 HydrophobicContact CB-CE1 4.04Å; E374-F481 HydrophobicContact CB-CE2 4.22Å; E374-F481 HydrophobicContact CB-CZ 3.98Å; E374-F481 WeakPolarHBondContact CB-O 3.47Å; E374-F481 HydrophobicContact CG-CD1 4.36Å; E374-F481 HydrophobicContact CG-CE1 3.61Å; E374-F481 HydrophobicContact CG-CE2 4.2Å; E374-F481 HydrophobicContact CG-CZ 3.51Å; E374-F481 PolarHBondContact N-O 3.47Å; E374-F481 PolarHBondContact O-N 2.9Å; E375-F481 WeakPolarHBondContact O-CE1 3.5Å; A376-F481 HydrophobicContact CB-CD1 3.84Å; P400-F481 HydrophobicContact CB-CD2 4.07Å; P400-F481 HydrophobicContact CB-CE2 3.62Å; P400-F481 HydrophobicContact CG-CD2 3.66Å; P400-F481 HydrophobicContact CG-CE2 3.74Å; Q466-F481 VanDerWaalsContact CD-CD2 3.48Å; Q466-F481 HydrophobicContact CG-CD1 4.06Å; Q466-F481 HydrophobicContact CG-CD2 3.59Å; Q466-F481 HydrophobicContact CG-CE1 3.9Å; Q466-F481 HydrophobicContact CG-CE2 3.47Å; Q466-F481 VanDerWaalsContact CG-CE2 3.47Å; Q466-F481 HydrophobicContact CG-CG 3.89Å; Q466-F481 HydrophobicContact CG-CZ 3.6Å; Y476-F481 HydrophobicContact CD2-CB 4.08Å; Y476-F481 HydrophobicContact CG-CB 4.26Å
482	H	98.6	Very high	95.6	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.014	19%	0.191	C	C	.	.			trans	-148.1	172.5	175.1	62.2	94.3	0	0	0	109.2	T201 K202 D323 H327 H371 P400 M491	T201-H482 PolarHBondContact O-ND1 2.77Å; K202-H482 PolarHBondContact NZ-O 2.77Å; D323-H482 IonicContact OD1-CD2 3.07Å; D323-H482 IonicContact OD1-NE2 2.94Å; H327-H482 AromaticContact CE1-CD2 3.32Å; H327-H482 PolarHBondContact CE1-CD2 3.32Å; H327-H482 AromaticContact CE1-NE2 3.5Å; H327-H482 AromaticContact NE2-CD2 3.43Å; H327-H482 PolarHBondContact NE2-CD2 3.21Å; H327-H482 AromaticContact NE2-NE2 3.18Å; H327-H482 PolarHBondContact NE2-NE2 3.23Å; H327-H482 VanDerWaalsContact NE2-NE2 3.18Å; H371-H482 AromaticContact CD2-CE1 3.87Å; H371-H482 AromaticContact CD2-ND1 3.58Å; H371-H482 AromaticContact CE1-CD2 3.56Å; H371-H482 AromaticContact CE1-CE1 3.27Å; H371-H482 PolarHBondContact CE1-CE1 3.21Å; H371-H482 AromaticContact CE1-CG 3.39Å; H371-H482 AromaticContact CE1-ND1 3.21Å; H371-H482 PolarHBondContact CE1-ND1 2.78Å; H371-H482 AromaticContact CE1-NE2 3.61Å; H371-H482 AromaticContact CG-ND1 3.75Å; H371-H482 AromaticContact ND1-CG 3.52Å; H371-H482 AromaticContact ND1-ND1 3.5Å; H371-H482 AromaticContact NE2-CE1 3.04Å; H371-H482 PolarHBondContact NE2-CE1 3.26Å; H371-H482 AromaticContact NE2-CG 3.85Å; H371-H482 AromaticContact NE2-ND1 3.16Å; H371-H482 PolarHBondContact NE2-ND1 3.27Å; H371-H482 VanDerWaalsContact NE2-ND1 3.16Å; H371-H482 AromaticContact NE2-NE2 3.77Å; P400-H482 VanDerWaalsContact CG-O 3.32Å; P400-H482 WeakPolarHBondContact CG-O 3.29Å; H482-M491 HydrophobicContact CB-CE 4.14Å; H482-M491 HydrophobicContact CB-SD 4.05Å
483	G	98.4	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.			trans	118.3	-3.8	-175.8	0	0	0	0	0	114.1	T201 P400 A401	T201-G483 WeakPolarHBondContact O-CA 3.37Å; T201-G483 PolarHBondContact O-N 2.83Å; T201-G483 VanDerWaalsContact O-N 3.13Å; T201-G483 WeakPolarHBondContact OG1-CA 3.37Å; T201-G483 PolarHBondContact OG1-N 2.9Å; P400-G483 VanDerWaalsContact CG-C 3.43Å; A401-G483 VanDerWaalsContact CB-O 3.31Å; A401-G483 WeakPolarHBondContact CB-O 3.05Å
484	S	98.6	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.132	C	C	.	.	S	Bend	trans	-67.7	179.9	179.2	-47.8	0	0	0	0	112.3	T201 P400 N486 F488	T201-S484 WeakPolarHBondContact CG2-O 3.48Å; T201-S484 PolarHBondContact OG1-N 3.3Å; T201-S484 VanDerWaalsContact OG1-N 3.11Å; T201-S484 PolarHBondContact OG1-O 3.09Å; P400-S484 VanDerWaalsContact CB-OG 3.23Å; P400-S484 WeakPolarHBondContact CB-OG 3.23Å; S484-N486 PolarHBondContact O-N 3.14Å; S484-F488 VanDerWaalsContact CB-CD2 3.5Å
485	D	98.6	Very high	96.7	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	13%	0.127	C	C	.	.			trans	-46	132.9	173.8	-163.2	-43.8	0	0	0	111.5	R445 M446 Y460 L487 F488	R445-D485 IonicContact CZ-OD1 3.52Å; R445-D485 IonicContact CZ-OD2 3.62Å; R445-D485 IonicContact NH1-OD1 2.88Å; R445-D485 PolarHBondContact NH1-OD1 3.34Å; R445-D485 IonicContact NH1-OD2 3.3Å; R445-D485 PolarHBondContact NH1-OD2 3.19Å; R445-D485 IonicContact NH2-OD1 3.93Å; R445-D485 PolarHBondContact NH2-OD1 3Å; R445-D485 IonicContact NH2-OD2 3.79Å; R445-D485 PolarHBondContact NH2-OD2 3.15Å; M446-D485 WeakPolarHBondContact CE-OD2 3.34Å; Y460-D485 HydrophobicContact CE2-CB 3.87Å; Y460-D485 VanDerWaalsContact CE2-OD2 3.29Å; Y460-D485 WeakPolarHBondContact CE2-OD2 3.29Å; Y460-D485 PolarHBondContact OH-OD2 3.14Å; Y460-D485 VanDerWaalsContact OH-OD2 3.05Å; D485-L487 PolarHBondContact O-N 2.86Å; D485-L487 WeakPolarHBondContact OD1-CB 3.41Å; D485-L487 PolarHBondContact OD1-N 3.44Å; D485-F488 HydrophobicContact CB-CD1 3.93Å; D485-F488 HydrophobicContact CB-CD2 4Å; D485-F488 HydrophobicContact CB-CE1 3.77Å; D485-F488 HydrophobicContact CB-CE2 3.82Å; D485-F488 HydrophobicContact CB-CG 4.04Å; D485-F488 HydrophobicContact CB-CZ 3.71Å; D485-F488 PolarHBondContact O-N 2.71Å; D485-F488 VanDerWaalsContact O-N 3.1Å
486	N	98.2	Very high	97.2	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.032	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.4	179.3	67.5	-21.7	0	0	0	113.8	R196 P197 T201 R445 S484 Q492	R196-N486 HydrophobicContact CG-CB 4.25Å; R196-N486 WeakPolarHBondContact CG-O 3.42Å; P197-N486 HydrophobicContact CG-CB 4.14Å; P197-N486 WeakPolarHBondContact O-CB 3.45Å; P197-N486 PolarHBondContact O-ND2 2.68Å; T201-N486 HydrophobicContact CG2-CB 3.85Å; R445-N486 PolarHBondContact NH1-OD1 3.17Å; R445-N486 VanDerWaalsContact NH1-OD1 3.1Å; S484-N486 PolarHBondContact O-N 3.14Å; N486-Q492 PolarHBondContact O-NE2 3.25Å
487	L	97.4	Very high	97.6	Very high	35 Å²	35	16 Å²	16	18%	0.183	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.1	168.1	-69.3	-171.4	0	0	0	114.1	R445 D485 T489 I827 L858 T860	R445-L487 VanDerWaalsContact CZ-CD1 3.45Å; D485-L487 PolarHBondContact O-N 2.86Å; D485-L487 WeakPolarHBondContact OD1-CB 3.41Å; D485-L487 PolarHBondContact OD1-N 3.44Å; L487-T489 PolarHBondContact O-N 2.82Å; L487-I827 HydrophobicContact CD1-CG2 3.86Å; L487-L858 HydrophobicContact CD2-CD2 3.65Å; L487-L858 HydrophobicContact CD2-CG 4.43Å; L487-T860 HydrophobicContact CD2-CG2 3.95Å
488	F	98	Very high	98.1	Very high	28 Å²	28	14.7 Å²	14.7	12%	0.123	8%	0.084	C	C	.	.	S	Bend	trans	-66.9	136.6	-178.8	-65	-14.2	0	0	0	111.1	Y460 E463 S484 D485 N490 M491 Q492	Y460-F488 VanDerWaalsContact OH-CZ 3.29Å; Y460-F488 WeakPolarHBondContact OH-CZ 3.39Å; E463-F488 VanDerWaalsContact CA-CE2 3.41Å; E463-F488 HydrophobicContact CB-CD1 4.33Å; E463-F488 HydrophobicContact CB-CD2 3.94Å; E463-F488 HydrophobicContact CB-CE1 4.12Å; E463-F488 HydrophobicContact CB-CE2 3.73Å; E463-F488 HydrophobicContact CB-CG 4.26Å; E463-F488 HydrophobicContact CB-CZ 3.83Å; E463-F488 HydrophobicContact CG-CB 4.45Å; E463-F488 HydrophobicContact CG-CD1 4.41Å; E463-F488 HydrophobicContact CG-CD2 3.83Å; E463-F488 HydrophobicContact CG-CE2 4.16Å; E463-F488 HydrophobicContact CG-CG 3.99Å; S484-F488 VanDerWaalsContact CB-CD2 3.5Å; D485-F488 HydrophobicContact CB-CD1 3.93Å; D485-F488 HydrophobicContact CB-CD2 4Å; D485-F488 HydrophobicContact CB-CE1 3.77Å; D485-F488 HydrophobicContact CB-CE2 3.82Å; D485-F488 HydrophobicContact CB-CG 4.04Å; D485-F488 HydrophobicContact CB-CZ 3.71Å; D485-F488 PolarHBondContact O-N 2.71Å; D485-F488 VanDerWaalsContact O-N 3.1Å; F488-N490 PolarHBondContact O-N 2.71Å; F488-M491 HydrophobicContact CB-CG 4.06Å; F488-M491 PolarHBondContact O-N 2.95Å; F488-Q492 PolarHBondContact O-NE2 2.87Å
489	T	96.8	Very high	98.3	Very high	74 Å²	74	9.6 Å²	9.6	45%	0.454	5%	0.054	S	C	.	.	G	3₁₀ helix	trans	-58.4	-40.2	-175.2	-55.2	0	0	0	0	111.4	E170 L487 M491 Q492	E170-T489 HydrophobicContact CG-CG2 4.08Å; E170-T489 VanDerWaalsContact OE1-CG2 3.26Å; E170-T489 WeakPolarHBondContact OE1-CG2 3.36Å; L487-T489 PolarHBondContact O-N 2.82Å; T489-M491 PolarHBondContact O-N 3.27Å; T489-Q492 WeakPolarHBondContact O-CG 3.41Å; T489-Q492 PolarHBondContact O-N 2.91Å
490	N	98.1	Very high	98.2	Very high	23 Å²	23	9.7 Å²	9.7	12%	0.123	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-68.3	-16	179.6	-69.5	-28.7	0	0	0	113.6	R168 E170 G372 M373 E374 F488	R168-N490 PolarHBondContact NH1-OD1 3.08Å; E170-N490 PolarHBondContact OE2-OD1 3.13Å; G372-N490 CarbonylContact C-O 3.49Å; G372-N490 VanDerWaalsContact CA-O 3.25Å; G372-N490 WeakPolarHBondContact CA-O 3.31Å; M373-N490 PolarHBondContact N-O 2.89Å; E374-N490 HydrophobicContact CB-CB 4.46Å; E374-N490 PolarHBondContact OE1-ND2 2.77Å; E374-N490 PolarHBondContact OE2-ND2 2.89Å; F488-N490 PolarHBondContact O-N 2.71Å
491	M	98.7	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-93.6	-8.7	177.9	-59.1	-65.5	86.3	0	0	113.4	P197 T201 G372 E374 H482 F488 T489	P197-M491 WeakPolarHBondContact CG-O 3.44Å; T201-M491 HydrophobicContact CG2-CB 4.09Å; T201-M491 HydrophobicContact CG2-CG 4.49Å; T201-M491 PolarHBondContact OG1-SD 3.27Å; G372-M491 PolarHBondContact N-O 3.47Å; E374-M491 HydrophobicContact CB-CE 3.73Å; H482-M491 HydrophobicContact CB-CE 4.14Å; H482-M491 HydrophobicContact CB-SD 4.05Å; F488-M491 HydrophobicContact CB-CG 4.06Å; F488-M491 PolarHBondContact O-N 2.95Å; T489-M491 PolarHBondContact O-N 3.27Å
492	Q	98.7	Very high	98.2	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.028	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-67.8	141.6	-177.7	-54.7	-52.5	-51	0	0	111.9	R168 A169 Y194 N486 F488 T489	R168-Q492 WeakPolarHBondContact CA-O 3.49Å; A169-Q492 HydrophobicContact CB-CB 4.03Å; A169-Q492 PolarHBondContact N-O 2.7Å; Y194-Q492 HydrophobicContact CD2-CB 3.85Å; Y194-Q492 HydrophobicContact CD2-CG 3.65Å; Y194-Q492 HydrophobicContact CE2-CG 4Å; Y194-Q492 VanDerWaalsContact CE2-OE1 3.23Å; Y194-Q492 HydrophobicContact CG-CB 3.96Å; Y194-Q492 HydrophobicContact CG-CG 4.03Å; N486-Q492 PolarHBondContact O-NE2 3.25Å; F488-Q492 PolarHBondContact O-NE2 2.87Å; T489-Q492 WeakPolarHBondContact O-CG 3.41Å; T489-Q492 PolarHBondContact O-N 2.91Å
493	A	98.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-102.7	170.1	-175.6	0	0	0	0	0	112.2	Y194 M195 S369	Y194-A493 WeakPolarHBondContact CA-O 3.49Å; M195-A493 HydrophobicContact CB-CB 4.49Å; M195-A493 HydrophobicContact CE-CB 4.01Å; M195-A493 PolarHBondContact N-O 3.16Å; M195-A493 PolarHBondContact O-N 2.86Å; S369-A493 WeakPolarHBondContact O-CB 3.41Å; S369-A493 VanDerWaalsContact OG-CA 3.29Å; S369-A493 WeakPolarHBondContact OG-CA 3.47Å; S369-A493 WeakPolarHBondContact OG-CB 3.49Å
494	I	98.8	Very high	98.1	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-95.9	154.8	175.7	65	166.7	0	0	0	111.8	L164 F167 L172 I367 V368 S369	L164-I494 HydrophobicContact CD1-CD1 4.11Å; F167-I494 HydrophobicContact CB-CD1 4.24Å; F167-I494 HydrophobicContact CB-CG1 4.39Å; F167-I494 HydrophobicContact CD1-CD1 3.86Å; F167-I494 HydrophobicContact CD1-CG1 4.25Å; F167-I494 HydrophobicContact CD1-CG2 3.54Å; F167-I494 HydrophobicContact CD2-CD1 4.21Å; F167-I494 HydrophobicContact CE1-CD1 4.25Å; F167-I494 HydrophobicContact CE1-CG2 3.9Å; F167-I494 HydrophobicContact CG-CD1 3.86Å; F167-I494 HydrophobicContact CG-CG1 4.38Å; F167-I494 HydrophobicContact CG-CG2 4.45Å; L172-I494 HydrophobicContact CD1-CB 4.16Å; L172-I494 HydrophobicContact CD1-CG2 3.45Å; L172-I494 VanDerWaalsContact CD1-CG2 3.45Å; L172-I494 HydrophobicContact CG-CG2 3.87Å; I367-I494 HydrophobicContact CG2-CD1 4.37Å; V368-I494 WeakPolarHBondContact CA-O 3.42Å; S369-I494 PolarHBondContact N-O 2.95Å; S369-I494 PolarHBondContact OG-N 3.07Å
495	F	98.9	Very high	98	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.7	165.4	168.5	-87	0	0	0	110	T190 T191 T192 M195 M366 I367 V368 F502 F511 L516 L519 L541	T190-F495 HydrophobicContact CG2-CE1 4.36Å; T191-F495 PolarHBondContact OG1-O 2.84Å; T192-F495 HydrophobicContact CG2-CB 3.95Å; T192-F495 HydrophobicContact CG2-CD1 4.31Å; M195-F495 HydrophobicContact CB-CB 4.07Å; M195-F495 HydrophobicContact SD-CB 4.25Å; M366-F495 HydrophobicContact CE-CE2 4.41Å; M366-F495 HydrophobicContact CG-CD2 4.35Å; M366-F495 HydrophobicContact CG-CE2 3.79Å; M366-F495 HydrophobicContact SD-CE2 4.14Å; I367-F495 CarbonylContact O-C 3.59Å; I367-F495 WeakPolarHBondContact O-CA 3.17Å; V368-F495 HydrophobicContact CG1-CD2 3.96Å; F495-F502 AromaticContact CZ-CE1 3.98Å; F495-F502 HydrophobicContact CZ-CE1 3.98Å; F495-F502 HydrophobicContact CZ-CZ 4.42Å; F495-F511 HydrophobicContact CB-CZ 3.99Å; F495-F511 HydrophobicContact CD1-CE1 4.05Å; F495-F511 AromaticContact CD1-CZ 3.62Å; F495-F511 HydrophobicContact CD1-CZ 3.62Å; F495-F511 HydrophobicContact CD2-CE2 4.34Å; F495-F511 AromaticContact CD2-CZ 3.78Å; F495-F511 HydrophobicContact CD2-CZ 3.78Å; F495-F511 HydrophobicContact CE1-CE1 4.38Å; F495-F511 AromaticContact CE1-CZ 4Å; F495-F511 HydrophobicContact CE1-CZ 4Å; F495-F511 HydrophobicContact CE2-CZ 4.13Å; F495-F511 HydrophobicContact CG-CE1 4.33Å; F495-F511 HydrophobicContact CG-CE2 4.38Å; F495-F511 AromaticContact CG-CZ 3.51Å; F495-F511 HydrophobicContact CG-CZ 3.51Å; F495-F511 HydrophobicContact CZ-CZ 4.24Å; F495-L516 HydrophobicContact CD2-CD2 3.72Å; F495-L516 HydrophobicContact CE2-CD2 3.53Å; F495-L519 HydrophobicContact CE2-CD2 4.07Å; F495-L519 HydrophobicContact CZ-CD2 3.98Å; F495-L541 HydrophobicContact CE1-CD1 3.95Å; F495-L541 HydrophobicContact CZ-CD1 4.01Å
496	I	98.9	Very high	98	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	117.8	176	-47	169	0	0	0	108.6	I182 L185 R186 T190 M366 I367	I182-I496 HydrophobicContact CG2-CD1 3.78Å; L185-I496 HydrophobicContact CB-CG2 4.02Å; R186-I496 HydrophobicContact CG-CD1 3.54Å; R186-I496 HydrophobicContact CG-CG1 3.74Å; R186-I496 HydrophobicContact CG-CG2 4.21Å; T190-I496 CarbonylContact O-C 3.56Å; T190-I496 WeakPolarHBondContact O-CA 3.26Å; M366-I496 WeakPolarHBondContact CA-O 3.27Å; I367-I496 HydrophobicContact CB-CB 4.19Å; I367-I496 PolarHBondContact N-O 3.38Å; I367-I496 PolarHBondContact O-N 3.24Å
497	G	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.7	169.5	0	0	0	0	0	111	G189 T190 L365	G189-G497 CarbonylContact C-O 3.57Å; G189-G497 WeakPolarHBondContact CA-O 3.15Å; T190-G497 PolarHBondContact N-O 3.03Å; T190-G497 PolarHBondContact O-N 3.13Å; L365-G497 CarbonylContact O-C 3.58Å; L365-G497 WeakPolarHBondContact O-CA 3.44Å
498	Y	98.5	Very high	97.9	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.035	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.9	177.6	-178.9	-91.1	0	0	0	110.1	W138 I145 L185 D188 M351 L365	W138-Y498 HydrophobicContact CZ2-CE1 4.34Å; W138-Y498 HydrophobicContact CZ2-CE2 4.09Å; W138-Y498 AromaticContact CZ2-CZ 3.8Å; W138-Y498 AromaticContact NE1-CZ 3.84Å; W138-Y498 PolarHBondContact NE1-OH 3.05Å; W138-Y498 VanDerWaalsContact NE1-OH 3.13Å; I145-Y498 HydrophobicContact CD1-CD1 4.1Å; I145-Y498 HydrophobicContact CD1-CE1 3.37Å; I145-Y498 HydrophobicContact CD1-CE2 4Å; I145-Y498 WeakPolarHBondContact CD1-OH 3.41Å; L185-Y498 HydrophobicContact CD2-CD1 4.09Å; L185-Y498 HydrophobicContact CD2-CD2 4.01Å; L185-Y498 HydrophobicContact CD2-CE2 4.45Å; L185-Y498 HydrophobicContact CD2-CG 3.79Å; D188-Y498 HydrophobicContact CB-CE2 4.05Å; M351-Y498 HydrophobicContact CE-CD1 3.88Å; M351-Y498 HydrophobicContact CE-CE1 3.49Å; M351-Y498 VanDerWaalsContact CE-CE1 3.49Å; L365-Y498 WeakPolarHBondContact CB-O 3.11Å; L365-Y498 PolarHBondContact N-O 3.18Å; L365-Y498 PolarHBondContact O-N 3.46Å
499	G	97.4	Very high	97.7	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	16%	0.155	C	C	.	.	S	Bend	trans	143.2	-174.9	180	0	0	0	0	0	113.5	G501 F502	G499-G501 VanDerWaalsContact C-N 3.31Å; G499-G501 PolarHBondContact O-N 2.94Å; G499-F502 PolarHBondContact O-N 3.4Å
500	P	96.9	Very high	97.7	Very high	8 Å²	8	26.3 Å²	26.3	5%	0.052	14%	0.141	C	C	.	.	S	Bend	trans	-70.1	-21.2	-174.6	27.1	-34.9	0	0	0	114.8	I145 A148 P157 C362 N364 K543	I145-P500 HydrophobicContact CG2-CB 4.31Å; A148-P500 HydrophobicContact CB-CB 3.68Å; A148-P500 HydrophobicContact CB-CG 3.76Å; P157-P500 HydrophobicContact CB-CG 4.26Å; P157-P500 HydrophobicContact CG-CG 4.2Å; C362-P500 VanDerWaalsContact O-CG 3.32Å; C362-P500 WeakPolarHBondContact O-CG 3.2Å; N364-P500 VanDerWaalsContact OD1-CD 3.29Å; N364-P500 WeakPolarHBondContact OD1-CD 3.34Å; P500-K543 WeakPolarHBondContact O-CD 3.31Å
501	G	97.5	Very high	97.7	Very high	19 Å²	19	25.8 Å²	25.8	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-80.7	-31.5	176.1	0	0	0	0	0	113.7	N364 G499 L542 K543	N364-G501 WeakPolarHBondContact OD1-CA 3.44Å; N364-G501 PolarHBondContact OD1-N 3.2Å; G499-G501 VanDerWaalsContact C-N 3.31Å; G499-G501 PolarHBondContact O-N 2.94Å; G501-L542 WeakPolarHBondContact O-CA 3.26Å; G501-K543 PolarHBondContact O-N 3.49Å
502	F	98.4	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-86	150.1	-178.3	-68.3	-71.8	0	0	0	112.6	N364 L365 M366 F495 G499 L519 L523 L542 K543	N364-F502 HydrophobicContact CB-CE2 4.41Å; L365-F502 WeakPolarHBondContact O-CE2 3.12Å; M366-F502 HydrophobicContact CE-CZ 4Å; F495-F502 AromaticContact CZ-CE1 3.98Å; F495-F502 HydrophobicContact CZ-CE1 3.98Å; F495-F502 HydrophobicContact CZ-CZ 4.42Å; G499-F502 PolarHBondContact O-N 3.4Å; F502-L519 HydrophobicContact CE1-CD1 4.41Å; F502-L519 HydrophobicContact CE1-CD2 4.13Å; F502-L523 HydrophobicContact CE1-CD1 4.12Å; F502-L523 HydrophobicContact CE2-CD1 3.82Å; F502-L523 HydrophobicContact CE2-CD2 4.42Å; F502-L523 HydrophobicContact CZ-CD1 3.42Å; F502-L523 VanDerWaalsContact CZ-CD1 3.42Å; F502-L523 HydrophobicContact CZ-CD2 4.47Å; F502-L542 HydrophobicContact CD1-CD2 4.45Å; F502-K543 WeakPolarHBondContact O-CD 3.45Å; F502-K543 WeakPolarHBondContact O-CE 3.19Å; F502-K543 WeakPolarHBondContact O-CG 3.42Å; F502-K543 PolarHBondContact O-NZ 3.2Å; F502-K543 VanDerWaalsContact O-NZ 3.15Å
503	K	97.8	Very high	97.7	Very high	69 Å²	69	26 Å²	26	30%	0.3	14%	0.139	S	C	.	.			trans	-63	157.5	165.8	-68.4	-175.1	-174.9	168.2	0	110.8	G189 T190 Y506 H540 L541 L542 K543	G189-K503 CarbonylContact C-O 3.46Å; T190-K503 PolarHBondContact N-O 3.18Å; T190-K503 VanDerWaalsContact OG1-C 3.27Å; T190-K503 PolarHBondContact OG1-N 3.04Å; T190-K503 PolarHBondContact OG1-O 3.45Å; K503-Y506 HydrophobicContact CB-CG 4.29Å; K503-Y506 HydrophobicContact CD-CD2 4.41Å; K503-Y506 HydrophobicContact CD-CG 4.27Å; K503-H540 VanDerWaalsContact CD-O 3.27Å; K503-H540 WeakPolarHBondContact CD-O 3.33Å; K503-H540 WeakPolarHBondContact CE-O 3.34Å; K503-H540 PolarHBondContact NZ-O 2.99Å; K503-L541 PolarHBondContact N-O 3.05Å; K503-L542 WeakPolarHBondContact CE-O 3.39Å; K503-K543 HydrophobicContact CG-CG 4.22Å
504	T	96.6	Very high	97.7	Very high	31 Å²	31	26 Å²	26	19%	0.19	14%	0.139	C	C	.	.	S	Bend	trans	-105.2	144.3	178.6	42.1	0	0	0	0	109.3	E144 D188 G189 Y506	E144-T504 HydrophobicContact CG-CG2 3.85Å; E144-T504 WeakPolarHBondContact OE1-CB 3.32Å; E144-T504 PolarHBondContact OE1-OG1 3.15Å; D188-T504 WeakPolarHBondContact O-CA 3.49Å; G189-T504 CarbonylContact O-C 3.25Å; T504-Y506 PolarHBondContact O-N 3.18Å; T504-Y506 VanDerWaalsContact O-N 3.16Å
505	K	96.6	Very high	97.7	Very high	132 Å²	132	26 Å²	26	57%	0.574	14%	0.139	S	C	*	.	S	Bend	trans	51.5	38.1	178.5	-54.8	167.4	-175.2	152.6	0	113.4	E144 K187 D188 G189	E144-K505 IonicContact OE2-NZ 2.86Å; E144-K505 PolarHBondContact OE2-NZ 2.96Å; K187-K505 WeakPolarHBondContact O-CA 3.47Å; K187-K505 WeakPolarHBondContact O-CG 3.22Å; D188-K505 PolarHBondContact O-N 2.91Å; G189-K505 WeakPolarHBondContact O-CA 3.41Å; G189-K505 PolarHBondContact O-N 3.1Å
506	Y	97.8	Very high	97.7	Very high	66 Å²	66	26 Å²	26	26%	0.259	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129	-173.6	-177.3	-102.4	0	0	0	111.7	G189 T190 T191 K503 T504 G508 H540 L541	G189-Y506 PolarHBondContact O-N 2.88Å; T190-Y506 CarbonylContact C-O 3.46Å; T190-Y506 VanDerWaalsContact CA-O 3.3Å; T190-Y506 WeakPolarHBondContact CA-O 3.04Å; T190-Y506 HydrophobicContact CG2-CD1 3.88Å; T191-Y506 PolarHBondContact N-O 2.82Å; K503-Y506 HydrophobicContact CB-CG 4.29Å; K503-Y506 HydrophobicContact CD-CD2 4.41Å; K503-Y506 HydrophobicContact CD-CG 4.27Å; T504-Y506 PolarHBondContact O-N 3.18Å; T504-Y506 VanDerWaalsContact O-N 3.16Å; Y506-G508 VanDerWaalsContact CE1-CA 3.44Å; Y506-H540 AromaticContact CE1-CD2 3.86Å; Y506-H540 PolarHBondContact OH-CD2 2.88Å; Y506-L541 HydrophobicContact CD1-CD2 4.28Å; Y506-L541 HydrophobicContact CE1-CD2 3.88Å
507	V	97.9	Very high	97.7	Very high	97 Å²	97	26 Å²	26	59%	0.588	14%	0.138	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.2	172	-173.8	0	0	0	0	108.2	T191	T191-V507 HydrophobicContact CG2-CB 4.46Å; T191-V507 HydrophobicContact CG2-CG1 4.39Å; T191-V507 HydrophobicContact CG2-CG2 3.88Å; T191-V507 CarbonylContact O-C 3.52Å; T191-V507 VanDerWaalsContact O-CA 3.31Å; T191-V507 WeakPolarHBondContact O-CA 3.23Å
508	G	95.1	Very high	97.7	Very high	4 Å²	4	26.2 Å²	26.2	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	165.9	177.2	0	0	0	0	0	113	T191 Y506	T191-G508 PolarHBondContact O-N 2.67Å; Y506-G508 VanDerWaalsContact CE1-CA 3.44Å
509	P	95.1	Very high	97.8	Very high	57 Å²	57	25.9 Å²	25.9	37%	0.37	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-63.5	162.4	168.8	30	-35.7	0	0	0	111.7	T192 F511	T192-P509 PolarHBondContact OG1-O 2.94Å; P509-F511 WeakPolarHBondContact O-CD1 3.33Å
510	T	96.5	Very high	97.8	Very high	25 Å²	25	25.8 Å²	25.8	15%	0.153	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-59.2	139.5	169	-64.1	0	0	0	0	111.1	T192 Y194	T192-T510 WeakPolarHBondContact OG1-CA 3.37Å; T192-T510 PolarHBondContact OG1-N 2.71Å; Y194-T510 HydrophobicContact CD2-CG2 3.56Å; Y194-T510 WeakPolarHBondContact CE1-OG1 3.49Å; Y194-T510 HydrophobicContact CE2-CG2 3.16Å; Y194-T510 HydrophobicContact CG-CG2 4.42Å
511	F	98.4	Very high	97.9	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.048	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	173.5	173.5	60.3	-95.7	0	0	0	110.5	T192 M195 R196 F495 P509 L516 L538 L541	T192-F511 HydrophobicContact CG2-CD1 4.34Å; T192-F511 HydrophobicContact CG2-CE1 3.72Å; T192-F511 HydrophobicContact CG2-CZ 4.21Å; M195-F511 HydrophobicContact CG-CD2 4.24Å; M195-F511 HydrophobicContact CG-CE2 3.91Å; M195-F511 HydrophobicContact SD-CE2 3.94Å; R196-F511 PolarHBondContact N-O 2.72Å; F495-F511 HydrophobicContact CB-CZ 3.99Å; F495-F511 HydrophobicContact CD1-CE1 4.05Å; F495-F511 AromaticContact CD1-CZ 3.62Å; F495-F511 HydrophobicContact CD1-CZ 3.62Å; F495-F511 HydrophobicContact CD2-CE2 4.34Å; F495-F511 AromaticContact CD2-CZ 3.78Å; F495-F511 HydrophobicContact CD2-CZ 3.78Å; F495-F511 HydrophobicContact CE1-CE1 4.38Å; F495-F511 AromaticContact CE1-CZ 4Å; F495-F511 HydrophobicContact CE1-CZ 4Å; F495-F511 HydrophobicContact CE2-CZ 4.13Å; F495-F511 HydrophobicContact CG-CE1 4.33Å; F495-F511 HydrophobicContact CG-CE2 4.38Å; F495-F511 AromaticContact CG-CZ 3.51Å; F495-F511 HydrophobicContact CG-CZ 3.51Å; F495-F511 HydrophobicContact CZ-CZ 4.24Å; P509-F511 WeakPolarHBondContact O-CD1 3.33Å; F511-L516 HydrophobicContact CE2-CD2 3.79Å; F511-L516 HydrophobicContact CE2-CG 4.45Å; F511-L516 HydrophobicContact CZ-CD2 4.34Å; F511-L538 HydrophobicContact CB-CD2 3.79Å; F511-L538 HydrophobicContact CD1-CD2 3.86Å; F511-L538 HydrophobicContact CD2-CD1 4.01Å; F511-L538 HydrophobicContact CD2-CD2 4Å; F511-L538 HydrophobicContact CE1-CD2 4.44Å; F511-L538 HydrophobicContact CE2-CD1 4.01Å; F511-L538 HydrophobicContact CG-CD1 4.44Å; F511-L538 HydrophobicContact CG-CD2 3.61Å; F511-L538 HydrophobicContact CZ-CD1 4.43Å; F511-L541 HydrophobicContact CE1-CD1 3.9Å; F511-L541 HydrophobicContact CZ-CD1 4.16Å
512	E	98.8	Very high	98	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	147.9	-176.7	-55.1	-169.4	139.8	0	0	111.8	R196 I514 E515 R829	R196-E512 HydrophobicContact CB-CG 4.19Å; R196-E512 IonicContact NH1-OE1 3.59Å; R196-E512 PolarHBondContact NH1-OE1 2.86Å; R196-E512 WeakPolarHBondContact O-CA 3.44Å; E512-I514 HydrophobicContact CB-CD1 4.41Å; E512-I514 HydrophobicContact CB-CG1 3.94Å; E512-I514 PolarHBondContact O-N 2.85Å; E512-E515 WeakPolarHBondContact O-CB 3.44Å; E512-E515 WeakPolarHBondContact O-CG 3.48Å; E512-E515 PolarHBondContact O-N 3.4Å; E512-E515 VanDerWaalsContact O-N 3.07Å; E512-R829 WeakPolarHBondContact OE2-CD 3.5Å; E512-R829 IonicContact OE2-CZ 3.61Å; E512-R829 VanDerWaalsContact OE2-CZ 3.3Å; E512-R829 IonicContact OE2-NE 3.65Å; E512-R829 IonicContact OE2-NH1 3.89Å; E512-R829 PolarHBondContact OE2-NH1 3.05Å
513	N	98.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17.2	-175.5	70.8	-8.6	0	0	0	114.5	M195 R196 N206 T209 I210 E515 L516	M195-N513 HydrophobicContact CE-CB 3.78Å; M195-N513 HydrophobicContact CG-CB 4.14Å; M195-N513 HydrophobicContact SD-CB 3.69Å; R196-N513 PolarHBondContact O-N 2.88Å; N206-N513 PolarHBondContact OD1-ND2 3.35Å; T209-N513 WeakPolarHBondContact CG2-OD1 3.31Å; I210-N513 HydrophobicContact CG1-CB 3.96Å; N513-E515 PolarHBondContact O-N 3.06Å; N513-L516 WeakPolarHBondContact O-CB 3.23Å; N513-L516 PolarHBondContact O-N 3.48Å
514	I	98.9	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.8	-26	170.4	63.3	177.9	0	0	0	112.3	V198 T209 G213 Y215 E512 L516	V198-I514 HydrophobicContact CG1-CG2 3.62Å; T209-I514 HydrophobicContact CG2-CB 4.39Å; T209-I514 HydrophobicContact CG2-CG2 3.56Å; G213-I514 VanDerWaalsContact CA-O 3.28Å; G213-I514 WeakPolarHBondContact CA-O 3.4Å; Y215-I514 HydrophobicContact CD1-CG2 3.99Å; Y215-I514 HydrophobicContact CE1-CD1 3.95Å; Y215-I514 HydrophobicContact CE1-CG2 3.83Å; Y215-I514 HydrophobicContact CE2-CD1 4.45Å; Y215-I514 VanDerWaalsContact OH-CD1 3.26Å; Y215-I514 WeakPolarHBondContact OH-CD1 3.5Å; E512-I514 HydrophobicContact CB-CD1 4.41Å; E512-I514 HydrophobicContact CB-CG1 3.94Å; E512-I514 PolarHBondContact O-N 2.85Å; I514-L516 VanDerWaalsContact C-N 3.28Å; I514-L516 PolarHBondContact O-N 3.07Å
515	E	98.9	Very high	98	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-76	-17.9	-178	-58.4	-62.4	156.9	0	0	112.5	E512 N513 Y517 N518 L519 T534 S537 L538	E512-E515 WeakPolarHBondContact O-CB 3.44Å; E512-E515 WeakPolarHBondContact O-CG 3.48Å; E512-E515 PolarHBondContact O-N 3.4Å; E512-E515 VanDerWaalsContact O-N 3.07Å; N513-E515 PolarHBondContact O-N 3.06Å; E515-Y517 VanDerWaalsContact C-N 3.33Å; E515-Y517 PolarHBondContact O-N 3.48Å; E515-N518 PolarHBondContact O-N 2.91Å; E515-L519 PolarHBondContact O-N 2.84Å; E515-T534 PolarHBondContact OE1-N 2.03Å; E515-T534 VanDerWaalsContact OE1-N 3.15Å; E515-T534 PolarHBondContact OE2-N 3.38Å; E515-S537 PolarHBondContact OE2-OG 2.96Å; E515-L538 HydrophobicContact CB-CD1 3.57Å; E515-L538 HydrophobicContact CB-CD2 4.38Å; E515-L538 HydrophobicContact CB-CG 3.87Å
516	L	98.9	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-31	-174.8	-68.7	-173.6	0	0	0	113.3	M195 I210 M366 V368 F495 F511 N513 I514 N518 L519 M520 L538	M195-L516 HydrophobicContact CE-CD1 4.2Å; M195-L516 HydrophobicContact SD-CD1 3.52Å; M195-L516 VanDerWaalsContact SD-CD1 3.52Å; M195-L516 HydrophobicContact SD-CD2 4.42Å; M195-L516 HydrophobicContact SD-CG 4.05Å; I210-L516 HydrophobicContact CG1-CD1 4.22Å; I210-L516 HydrophobicContact CG2-CB 4.37Å; I210-L516 HydrophobicContact CG2-CD1 3.97Å; M366-L516 HydrophobicContact SD-CD1 4.37Å; M366-L516 HydrophobicContact SD-CD2 4.1Å; V368-L516 HydrophobicContact CG1-CD1 3.77Å; F495-L516 HydrophobicContact CD2-CD2 3.72Å; F495-L516 HydrophobicContact CE2-CD2 3.53Å; F511-L516 HydrophobicContact CE2-CD2 3.79Å; F511-L516 HydrophobicContact CE2-CG 4.45Å; F511-L516 HydrophobicContact CZ-CD2 4.34Å; N513-L516 WeakPolarHBondContact O-CB 3.23Å; N513-L516 PolarHBondContact O-N 3.48Å; I514-L516 VanDerWaalsContact C-N 3.28Å; I514-L516 PolarHBondContact O-N 3.07Å; L516-N518 PolarHBondContact O-N 3.38Å; L516-L519 HydrophobicContact CD2-CD2 3.96Å; L516-L519 PolarHBondContact O-N 3.42Å; L516-M520 VanDerWaalsContact O-CG 3.27Å; L516-M520 WeakPolarHBondContact O-CG 3.28Å; L516-M520 PolarHBondContact O-N 3.35Å; L516-L538 HydrophobicContact CD2-CD1 4.37Å
517	Y	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-45.3	178.9	175.8	-104.1	0	0	0	112.6	V211 T212 G213 V253 T256 E515 M520 C521 P528 S529 N531	V211-Y517 WeakPolarHBondContact O-CD2 3.5Å; V211-Y517 WeakPolarHBondContact O-CE2 3.38Å; T212-Y517 VanDerWaalsContact C-CG 3.49Å; G213-Y517 VanDerWaalsContact CA-CB 3.48Å; G213-Y517 VanDerWaalsContact N-CB 3.27Å; V253-Y517 HydrophobicContact CB-CD2 3.95Å; V253-Y517 HydrophobicContact CB-CE2 3.86Å; V253-Y517 HydrophobicContact CG2-CD2 4.43Å; V253-Y517 HydrophobicContact CG2-CE2 4.34Å; T256-Y517 PolarHBondContact OG1-OH 3.12Å; E515-Y517 VanDerWaalsContact C-N 3.33Å; E515-Y517 PolarHBondContact O-N 3.48Å; Y517-M520 PolarHBondContact O-N 2.81Å; Y517-C521 PolarHBondContact O-N 3.14Å; Y517-C521 PolarHBondContact O-SG 3.47Å; Y517-P528 HydrophobicContact CD1-CB 4.12Å; Y517-P528 HydrophobicContact CE1-CB 3.59Å; Y517-S529 VanDerWaalsContact OH-CB 3.31Å; Y517-S529 WeakPolarHBondContact OH-CB 3.23Å; Y517-S529 PolarHBondContact OH-N 3.42Å; Y517-S529 PolarHBondContact OH-OG 3.11Å; Y517-N531 HydrophobicContact CD1-CB 4.01Å; Y517-N531 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N531 HydrophobicContact CE1-CB 4.29Å
518	N	98.9	Very high	98.2	Very high	5 Å²	5	21 Å²	21	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-44.4	175.6	-69.1	-36.2	0	0	0	110.9	E515 L516 M520 C521 D522 P528 N531 G533	E515-N518 PolarHBondContact O-N 2.91Å; L516-N518 PolarHBondContact O-N 3.38Å; N518-M520 VanDerWaalsContact C-N 3.34Å; N518-M520 PolarHBondContact O-N 2.93Å; N518-C521 WeakPolarHBondContact O-CB 3.32Å; N518-C521 PolarHBondContact O-N 3.21Å; N518-C521 VanDerWaalsContact O-N 3.15Å; N518-D522 PolarHBondContact O-N 2.75Å; N518-P528 WeakPolarHBondContact OD1-CB 3.24Å; N518-N531 PolarHBondContact ND2-OD1 3.38Å; N518-N531 PolarHBondContact OD1-ND2 2.93Å; N518-N531 PolarHBondContact OD1-OD1 2.86Å; N518-G533 PolarHBondContact ND2-O 2.89Å
519	L	98.9	Very high	98.3	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-41.7	177.2	178.1	64.4	0	0	0	112.4	M366 F495 F502 E515 L516 D522 L523 L538 L541 L542	M366-L519 HydrophobicContact CE-CD2 3.69Å; M366-L519 HydrophobicContact CE-CG 3.89Å; F495-L519 HydrophobicContact CE2-CD2 4.07Å; F495-L519 HydrophobicContact CZ-CD2 3.98Å; F502-L519 HydrophobicContact CE1-CD1 4.41Å; F502-L519 HydrophobicContact CE1-CD2 4.13Å; E515-L519 PolarHBondContact O-N 2.84Å; L516-L519 HydrophobicContact CD2-CD2 3.96Å; L516-L519 PolarHBondContact O-N 3.42Å; L519-D522 PolarHBondContact O-N 2.8Å; L519-L523 HydrophobicContact CD1-CD1 4.39Å; L519-L523 HydrophobicContact CG-CD1 4.19Å; L519-L523 VanDerWaalsContact O-CG 3.29Å; L519-L523 WeakPolarHBondContact O-CG 3.28Å; L519-L523 PolarHBondContact O-N 2.92Å; L519-L538 HydrophobicContact CB-CD1 4.16Å; L519-L538 HydrophobicContact CD1-CB 4.41Å; L519-L538 HydrophobicContact CD2-CD1 3.88Å; L519-L541 HydrophobicContact CD2-CD1 4.2Å; L519-L542 HydrophobicContact CD1-CD1 4.03Å; L519-L542 HydrophobicContact CD1-CD2 3.62Å; L519-L542 HydrophobicContact CD1-CG 3.86Å
520	M	98.9	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-40.9	175.5	-69.5	-169.5	-76	0	0	111.7	L159 L161 I210 V211 V253 F314 M366 L516 Y517 N518 L523 L524	L159-M520 HydrophobicContact CD2-CB 3.7Å; L159-M520 HydrophobicContact CD2-CG 3.79Å; L159-M520 HydrophobicContact CD2-SD 4.46Å; L161-M520 HydrophobicContact CD1-SD 4.38Å; L161-M520 HydrophobicContact CD2-CE 4.44Å; L161-M520 HydrophobicContact CD2-SD 3.79Å; I210-M520 HydrophobicContact CG2-CE 4.29Å; I210-M520 WeakPolarHBondContact O-CE 3.45Å; V211-M520 HydrophobicContact CG1-CE 4.34Å; V253-M520 HydrophobicContact CB-CE 4.36Å; V253-M520 HydrophobicContact CG1-CE 4.06Å; V253-M520 HydrophobicContact CG1-SD 4.23Å; V253-M520 HydrophobicContact CG2-CB 4.09Å; F314-M520 HydrophobicContact CE2-SD 3.85Å; F314-M520 HydrophobicContact CZ-SD 4.18Å; M366-M520 HydrophobicContact CE-CG 3.63Å; M366-M520 HydrophobicContact SD-CG 3.94Å; M366-M520 HydrophobicContact SD-SD 4.37Å; L516-M520 VanDerWaalsContact O-CG 3.27Å; L516-M520 WeakPolarHBondContact O-CG 3.28Å; L516-M520 PolarHBondContact O-N 3.35Å; Y517-M520 PolarHBondContact O-N 2.81Å; N518-M520 VanDerWaalsContact C-N 3.34Å; N518-M520 PolarHBondContact O-N 2.93Å; M520-L523 PolarHBondContact O-N 3.26Å; M520-L524 WeakPolarHBondContact O-CB 3.3Å; M520-L524 VanDerWaalsContact O-CG 3.31Å; M520-L524 WeakPolarHBondContact O-CG 3.16Å; M520-L524 PolarHBondContact O-N 2.86Å
521	C	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.2	-67.6	0	0	0	0	111.7	Y517 N518 L524 G525 I526 P528	Y517-C521 PolarHBondContact O-N 3.14Å; Y517-C521 PolarHBondContact O-SG 3.47Å; N518-C521 WeakPolarHBondContact O-CB 3.32Å; N518-C521 PolarHBondContact O-N 3.21Å; N518-C521 VanDerWaalsContact O-N 3.15Å; C521-L524 CarbonylContact O-C 3.56Å; C521-L524 PolarHBondContact O-N 2.9Å; C521-G525 PolarHBondContact O-N 2.88Å; C521-I526 CarbonylContact C-O 3.57Å; C521-I526 HydrophobicContact CB-CG1 3.87Å; C521-I526 WeakPolarHBondContact O-CG1 3.46Å; C521-I526 PolarHBondContact O-N 2.98Å; C521-P528 HydrophobicContact CB-CB 4.06Å
522	D	98.6	Very high	98.6	Very high	14 Å²	14	27 Å²	27	8%	0.075	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-42.9	176.8	-71.2	-24.9	0	0	0	112.2	N518 L519 L524 G525 H535 L542 H546	N518-D522 PolarHBondContact O-N 2.75Å; L519-D522 PolarHBondContact O-N 2.8Å; D522-L524 VanDerWaalsContact C-N 3.28Å; D522-L524 PolarHBondContact O-N 3.3Å; D522-G525 PolarHBondContact O-N 3.18Å; D522-G525 VanDerWaalsContact O-N 3.14Å; D522-H535 IonicContact OD1-CD2 2.64Å; D522-H535 IonicContact OD1-CE1 2.69Å; D522-H535 IonicContact OD1-NE2 3.84Å; D522-H535 PolarHBondContact OD1-NE2 2.72Å; D522-H535 IonicContact OD2-CD2 3.44Å; D522-H535 IonicContact OD2-NE2 3.74Å; D522-H535 PolarHBondContact OD2-NE2 3.47Å; D522-L542 HydrophobicContact CB-CD1 4.14Å; D522-H546 HydrophobicContact CB-CB 3.91Å; D522-H546 IonicContact OD1-CD2 3.56Å
523	L	98.5	Very high	98.6	Very high	21 Å²	21	27 Å²	27	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-30.7	177.1	-72.1	166.6	0	0	0	112.9	L159 M366 F502 L519 M520 L542	L159-L523 HydrophobicContact CD1-CD1 3.95Å; L159-L523 HydrophobicContact CD2-CB 4.27Å; L159-L523 HydrophobicContact CD2-CD1 4.49Å; M366-L523 HydrophobicContact CE-CD1 3.86Å; F502-L523 HydrophobicContact CE1-CD1 4.12Å; F502-L523 HydrophobicContact CE2-CD1 3.82Å; F502-L523 HydrophobicContact CE2-CD2 4.42Å; F502-L523 HydrophobicContact CZ-CD1 3.42Å; F502-L523 VanDerWaalsContact CZ-CD1 3.42Å; F502-L523 HydrophobicContact CZ-CD2 4.47Å; L519-L523 HydrophobicContact CD1-CD1 4.39Å; L519-L523 HydrophobicContact CG-CD1 4.19Å; L519-L523 VanDerWaalsContact O-CG 3.29Å; L519-L523 WeakPolarHBondContact O-CG 3.28Å; L519-L523 PolarHBondContact O-N 2.92Å; M520-L523 PolarHBondContact O-N 3.26Å; L523-L542 HydrophobicContact CD2-CD2 3.62Å; L523-L542 HydrophobicContact CG-CD2 4.14Å
524	L	98.2	Very high	98.6	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-84.6	-11.1	175.6	-71.3	169.5	0	0	0	112.9	R156 L159 V253 A257 L262 D313 F314 M520 C521 D522 I526	R156-L524 PolarHBondContact NH1-O 3.27Å; L159-L524 HydrophobicContact CB-CD2 3.86Å; L159-L524 HydrophobicContact CB-CG 4.24Å; L159-L524 HydrophobicContact CD2-CD1 4.21Å; L159-L524 HydrophobicContact CD2-CG 4.01Å; V253-L524 HydrophobicContact CG2-CD1 4.22Å; A257-L524 HydrophobicContact CB-CD1 4.47Å; L262-L524 HydrophobicContact CD1-CB 4.25Å; L262-L524 HydrophobicContact CD1-CD2 4.41Å; D313-L524 HydrophobicContact CB-CD2 4.42Å; F314-L524 HydrophobicContact CB-CD1 4.16Å; F314-L524 HydrophobicContact CB-CD2 4.29Å; F314-L524 HydrophobicContact CD2-CD1 4.13Å; F314-L524 HydrophobicContact CG-CD1 4.39Å; M520-L524 WeakPolarHBondContact O-CB 3.3Å; M520-L524 VanDerWaalsContact O-CG 3.31Å; M520-L524 WeakPolarHBondContact O-CG 3.16Å; M520-L524 PolarHBondContact O-N 2.86Å; C521-L524 CarbonylContact O-C 3.56Å; C521-L524 PolarHBondContact O-N 2.9Å; D522-L524 VanDerWaalsContact C-N 3.28Å; D522-L524 PolarHBondContact O-N 3.3Å; L524-I526 HydrophobicContact CB-CD1 4.01Å; L524-I526 HydrophobicContact CB-CG1 3.9Å; L524-I526 HydrophobicContact CB-CG2 4.31Å; L524-I526 HydrophobicContact CD1-CD1 3.88Å
525	G	97.2	Very high	98.6	Very high	39 Å²	39	29.8 Å²	29.8	40%	0.402	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	39.3	-175	0	0	0	0	0	112.9	C521 D522	C521-G525 PolarHBondContact O-N 2.88Å; D522-G525 PolarHBondContact O-N 3.18Å; D522-G525 VanDerWaalsContact O-N 3.14Å
526	I	98.2	Very high	98.5	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.036	17%	0.166	C	C	.	.			trans	-124.1	158.7	-177.8	65.6	177.8	0	0	0	111.3	T256 A257 Q260 L262 C521 L524	T256-I526 HydrophobicContact CG2-CD1 4.11Å; A257-I526 HydrophobicContact CB-CD1 4Å; Q260-I526 HydrophobicContact CB-CB 4.47Å; Q260-I526 HydrophobicContact CB-CG2 4.05Å; L262-I526 HydrophobicContact CD1-CG2 3.49Å; L262-I526 VanDerWaalsContact CD1-CG2 3.49Å; L262-I526 HydrophobicContact CG-CG2 4.34Å; C521-I526 CarbonylContact C-O 3.57Å; C521-I526 HydrophobicContact CB-CG1 3.87Å; C521-I526 WeakPolarHBondContact O-CG1 3.46Å; C521-I526 PolarHBondContact O-N 2.98Å; L524-I526 HydrophobicContact CB-CD1 4.01Å; L524-I526 HydrophobicContact CB-CG1 3.9Å; L524-I526 HydrophobicContact CB-CG2 4.31Å; L524-I526 HydrophobicContact CD1-CD1 3.88Å
527	R	98.3	Very high	98.5	Very high	202 Å²	202	30 Å²	30	76%	0.762	17%	0.167	S	C	*	.	P	Polyproline II helix	trans	-83.3	129.5	177.3	-63.4	-178.3	-179	179.7	-0.6	110.7	T256 Q260	T256-R527 VanDerWaalsContact CG2-O 3.31Å; T256-R527 WeakPolarHBondContact CG2-O 3.39Å; Q260-R527 PolarHBondContact NE2-O 2.88Å
528	P	98.7	Very high	98.5	Very high	33 Å²	33	30.4 Å²	30.4	21%	0.214	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-72	154.4	176.3	29.2	-33.8	0	0	0	112.2	Y517 N518 C521	Y517-P528 HydrophobicContact CD1-CB 4.12Å; Y517-P528 HydrophobicContact CE1-CB 3.59Å; N518-P528 WeakPolarHBondContact OD1-CB 3.24Å; C521-P528 HydrophobicContact CB-CB 4.06Å
529	S	98.4	Very high	98.4	Very high	15 Å²	15	30.6 Å²	30.6	11%	0.105	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-70.3	161.7	162.6	-52.6	0	0	0	0	111.1	E251 R259 Y517 N531	E251-S529 PolarHBondContact OE1-OG 3.3Å; R259-S529 PolarHBondContact NH2-OG 3.31Å; Y517-S529 VanDerWaalsContact OH-CB 3.31Å; Y517-S529 WeakPolarHBondContact OH-CB 3.23Å; Y517-S529 PolarHBondContact OH-N 3.42Å; Y517-S529 PolarHBondContact OH-OG 3.11Å; S529-N531 PolarHBondContact O-N 2.95Å; S529-N531 PolarHBondContact O-ND2 2.69Å
530	P	98.6	Very high	98.3	Very high	128 Å²	128	31.4 Å²	31.4	83%	0.831	17%	0.174	S	C	*	.	S	Bend	trans	-52.2	128.1	168	-25.3	35.1	0	0	0	111.3
531	N	98.8	Very high	98.3	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	17%	0.174	C	C	.	.			trans	-150.6	174.3	-176.5	68	88.4	0	0	0	110.7	T212 L214 Y517 N518 S529 G533	T212-N531 WeakPolarHBondContact O-CB 3.38Å; L214-N531 HydrophobicContact CD2-CB 4.33Å; Y517-N531 HydrophobicContact CD1-CB 4.01Å; Y517-N531 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N531 HydrophobicContact CE1-CB 4.29Å; N518-N531 PolarHBondContact ND2-OD1 3.38Å; N518-N531 PolarHBondContact OD1-ND2 2.93Å; N518-N531 PolarHBondContact OD1-OD1 2.86Å; S529-N531 PolarHBondContact O-N 2.95Å; S529-N531 PolarHBondContact O-ND2 2.69Å; N531-G533 WeakPolarHBondContact OD1-CA 3.24Å; N531-G533 PolarHBondContact OD1-N 3.1Å; N531-G533 PolarHBondContact OD1-O 2.91Å
532	N	98.8	Very high	98.2	Very high	45 Å²	45	31.7 Å²	31.7	24%	0.241	18%	0.175	C	C	.	.	S	Bend	trans	-86.8	-12.6	-177.4	-59.9	116.3	0	0	0	113.7	G213 L214 Y215	G213-N532 WeakPolarHBondContact O-CA 3.48Å; G213-N532 WeakPolarHBondContact O-CB 3.43Å; G213-N532 PolarHBondContact O-N 3.05Å; L214-N532 VanDerWaalsContact CA-OD1 3.22Å; L214-N532 WeakPolarHBondContact CA-OD1 3.49Å; L214-N532 WeakPolarHBondContact CD2-OD1 3.44Å; Y215-N532 HydrophobicContact CD2-CB 3.68Å; Y215-N532 WeakPolarHBondContact CD2-OD1 3.39Å; Y215-N532 HydrophobicContact CE2-CB 3.63Å; Y215-N532 HydrophobicContact CG-CB 4.46Å; Y215-N532 PolarHBondContact N-OD1 3.47Å
533	G	98.6	Very high	98.1	Very high	11 Å²	11	34 Å²	34	11%	0.113	19%	0.185	C	C	.	.	S	Bend	trans	-67.9	147.3	173.6	0	0	0	0	0	112.3	G213 N518 N531 H535	G213-G533 PolarHBondContact O-N 3.27Å; N518-G533 PolarHBondContact ND2-O 2.89Å; N531-G533 WeakPolarHBondContact OD1-CA 3.24Å; N531-G533 PolarHBondContact OD1-N 3.1Å; N531-G533 PolarHBondContact OD1-O 2.91Å; G533-H535 PolarHBondContact O-N 3.16Å
534	T	98.6	Very high	97.9	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	21%	0.209	C	C	.	.			trans	-90.5	96.7	177.1	-56.7	0	0	0	0	109.9	E515 G536 S537 I852 T856	E515-T534 PolarHBondContact OE1-N 2.03Å; E515-T534 VanDerWaalsContact OE1-N 3.15Å; E515-T534 PolarHBondContact OE2-N 3.38Å; T534-G536 PolarHBondContact O-N 3.3Å; T534-S537 WeakPolarHBondContact O-CB 3.32Å; T534-S537 PolarHBondContact O-N 3.37Å; T534-S537 PolarHBondContact O-OG 2.85Å; T534-S537 VanDerWaalsContact O-OG 3.06Å; T534-I852 HydrophobicContact CG2-CB 4.07Å; T534-I852 HydrophobicContact CG2-CG2 4.12Å; T534-T856 HydrophobicContact CG2-CG2 4.24Å; T534-T856 WeakPolarHBondContact OG1-CG2 3.2Å
535	H	98.4	Very high	97.7	Very high	40 Å²	40	43.3 Å²	43.3	19%	0.185	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	125.1	-175	-163.5	-177.2	0	0	0	112	D522 G533 Y547	D522-H535 IonicContact OD1-CD2 2.64Å; D522-H535 IonicContact OD1-CE1 2.69Å; D522-H535 IonicContact OD1-NE2 3.84Å; D522-H535 PolarHBondContact OD1-NE2 2.72Å; D522-H535 IonicContact OD2-CD2 3.44Å; D522-H535 IonicContact OD2-NE2 3.74Å; D522-H535 PolarHBondContact OD2-NE2 3.47Å; G533-H535 PolarHBondContact O-N 3.16Å; H535-Y547 HydrophobicContact CB-CD1 4.06Å; H535-Y547 HydrophobicContact CB-CE1 3.87Å; H535-Y547 AromaticContact CD2-CD1 3.57Å; H535-Y547 AromaticContact CD2-CG 3.84Å; H535-Y547 VanDerWaalsContact CE1-CB 3.47Å; H535-Y547 WeakPolarHBondContact CE1-CB 3.3Å; H535-Y547 AromaticContact CE1-CD1 3.82Å; H535-Y547 AromaticContact CE1-CD2 3.71Å; H535-Y547 AromaticContact CE1-CG 3.38Å; H535-Y547 AromaticContact CG-CD1 3.46Å; H535-Y547 VanDerWaalsContact CG-CD1 3.46Å; H535-Y547 AromaticContact CG-CE1 3.72Å; H535-Y547 AromaticContact CG-CG 3.87Å; H535-Y547 AromaticContact ND1-CD1 3.65Å; H535-Y547 AromaticContact ND1-CD2 3.82Å; H535-Y547 AromaticContact ND1-CE1 3.88Å; H535-Y547 AromaticContact ND1-CG 3.6Å; H535-Y547 VanDerWaalsContact NE2-CB 3.27Å; H535-Y547 WeakPolarHBondContact NE2-CB 3.21Å; H535-Y547 AromaticContact NE2-CD1 3.79Å; H535-Y547 AromaticContact NE2-CG 3.54Å; H535-Y547 WeakPolarHBondContact O-CE1 3.37Å
536	G	97.8	Very high	97.6	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-14.8	-174.7	0	0	0	0	0	114.5	T534 L538 N539 I852	T534-G536 PolarHBondContact O-N 3.3Å; G536-L538 PolarHBondContact O-N 3.04Å; G536-L538 VanDerWaalsContact O-N 3.15Å; G536-N539 WeakPolarHBondContact CA-OD1 3.47Å; G536-N539 WeakPolarHBondContact O-CB 3.45Å; G536-N539 PolarHBondContact O-N 2.82Å; G536-I852 WeakPolarHBondContact O-CD1 3.42Å
537	S	97.9	Very high	97.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.3	-179.4	66.9	0	0	0	0	112	E515 T534 H540 Q853	E515-S537 PolarHBondContact OE2-OG 2.96Å; T534-S537 WeakPolarHBondContact O-CB 3.32Å; T534-S537 PolarHBondContact O-N 3.37Å; T534-S537 PolarHBondContact O-OG 2.85Å; T534-S537 VanDerWaalsContact O-OG 3.06Å; S537-H540 PolarHBondContact O-CE1 3.28Å; S537-H540 PolarHBondContact O-ND1 3.49Å; S537-Q853 WeakPolarHBondContact O-CG 3.48Å
538	L	98.3	Very high	97.4	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	12.1	179.5	-58	-169.1	0	0	0	114.6	F511 E515 L516 L519 G536 H540 L541	F511-L538 HydrophobicContact CB-CD2 3.79Å; F511-L538 HydrophobicContact CD1-CD2 3.86Å; F511-L538 HydrophobicContact CD2-CD1 4.01Å; F511-L538 HydrophobicContact CD2-CD2 4Å; F511-L538 HydrophobicContact CE1-CD2 4.44Å; F511-L538 HydrophobicContact CE2-CD1 4.01Å; F511-L538 HydrophobicContact CG-CD1 4.44Å; F511-L538 HydrophobicContact CG-CD2 3.61Å; F511-L538 HydrophobicContact CZ-CD1 4.43Å; E515-L538 HydrophobicContact CB-CD1 3.57Å; E515-L538 HydrophobicContact CB-CD2 4.38Å; E515-L538 HydrophobicContact CB-CG 3.87Å; L516-L538 HydrophobicContact CD2-CD1 4.37Å; L519-L538 HydrophobicContact CB-CD1 4.16Å; L519-L538 HydrophobicContact CD1-CB 4.41Å; L519-L538 HydrophobicContact CD2-CD1 3.88Å; G536-L538 PolarHBondContact O-N 3.04Å; G536-L538 VanDerWaalsContact O-N 3.15Å; L538-H540 PolarHBondContact O-N 3.47Å; L538-H540 VanDerWaalsContact O-N 3.1Å; L538-L541 HydrophobicContact CB-CD1 3.98Å; L538-L541 HydrophobicContact CB-CG 4.21Å; L538-L541 HydrophobicContact CD1-CD1 4.1Å; L538-L541 HydrophobicContact CD2-CD1 4.13Å; L538-L541 HydrophobicContact CG-CD1 4.29Å; L538-L541 VanDerWaalsContact O-CB 3.31Å; L538-L541 WeakPolarHBondContact O-CB 3.24Å; L538-L541 WeakPolarHBondContact O-CG 3.38Å; L538-L541 PolarHBondContact O-N 3.15Å
539	N	98.1	Very high	97.2	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.048	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30.1	176.8	-80.6	-2.4	0	0	0	112.7	G536 L541 L542 P545 Y547	G536-N539 WeakPolarHBondContact CA-OD1 3.47Å; G536-N539 WeakPolarHBondContact O-CB 3.45Å; G536-N539 PolarHBondContact O-N 2.82Å; N539-L541 PolarHBondContact O-N 3.08Å; N539-L542 PolarHBondContact O-N 3.32Å; N539-P545 HydrophobicContact CB-CB 4.04Å; N539-P545 HydrophobicContact CB-CG 3.94Å; N539-Y547 PolarHBondContact ND2-O 2.97Å
540	H	96.8	Very high	97.1	Very high	19 Å²	19	51.7 Å²	51.7	9%	0.088	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.7	-15.9	176.9	63.9	-83.7	0	0	0	113.8	K503 Y506 S537 L538 Q853	K503-H540 VanDerWaalsContact CD-O 3.27Å; K503-H540 WeakPolarHBondContact CD-O 3.33Å; K503-H540 WeakPolarHBondContact CE-O 3.34Å; K503-H540 PolarHBondContact NZ-O 2.99Å; Y506-H540 AromaticContact CE1-CD2 3.86Å; Y506-H540 PolarHBondContact OH-CD2 2.88Å; S537-H540 PolarHBondContact O-CE1 3.28Å; S537-H540 PolarHBondContact O-ND1 3.49Å; L538-H540 PolarHBondContact O-N 3.47Å; L538-H540 VanDerWaalsContact O-N 3.1Å; H540-Q853 PolarHBondContact ND1-NE2 3.02Å
541	L	98.1	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-83.9	-18.4	173.9	-51.9	-172.8	0	0	0	113	T190 F495 K503 Y506 F511 L519 L538 N539	T190-L541 HydrophobicContact CG2-CB 3.96Å; T190-L541 HydrophobicContact CG2-CD2 3.65Å; T190-L541 HydrophobicContact CG2-CG 4.27Å; F495-L541 HydrophobicContact CE1-CD1 3.95Å; F495-L541 HydrophobicContact CZ-CD1 4.01Å; K503-L541 PolarHBondContact N-O 3.05Å; Y506-L541 HydrophobicContact CD1-CD2 4.28Å; Y506-L541 HydrophobicContact CE1-CD2 3.88Å; F511-L541 HydrophobicContact CE1-CD1 3.9Å; F511-L541 HydrophobicContact CZ-CD1 4.16Å; L519-L541 HydrophobicContact CD2-CD1 4.2Å; L538-L541 HydrophobicContact CB-CD1 3.98Å; L538-L541 HydrophobicContact CB-CG 4.21Å; L538-L541 HydrophobicContact CD1-CD1 4.1Å; L538-L541 HydrophobicContact CD2-CD1 4.13Å; L538-L541 HydrophobicContact CG-CD1 4.29Å; L538-L541 VanDerWaalsContact O-CB 3.31Å; L538-L541 WeakPolarHBondContact O-CB 3.24Å; L538-L541 WeakPolarHBondContact O-CG 3.38Å; L538-L541 PolarHBondContact O-N 3.15Å; N539-L541 PolarHBondContact O-N 3.08Å
542	L	97.9	Very high	96.8	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97.9	143.7	-172.8	-62.7	177.9	0	0	0	111.6	G501 F502 K503 L519 D522 L523 N539 P545	G501-L542 WeakPolarHBondContact O-CA 3.26Å; F502-L542 HydrophobicContact CD1-CD2 4.45Å; K503-L542 WeakPolarHBondContact CE-O 3.39Å; L519-L542 HydrophobicContact CD1-CD1 4.03Å; L519-L542 HydrophobicContact CD1-CD2 3.62Å; L519-L542 HydrophobicContact CD1-CG 3.86Å; D522-L542 HydrophobicContact CB-CD1 4.14Å; L523-L542 HydrophobicContact CD2-CD2 3.62Å; L523-L542 HydrophobicContact CG-CD2 4.14Å; N539-L542 PolarHBondContact O-N 3.32Å; L542-P545 HydrophobicContact CB-CG 4.46Å
543	K	96.3	Very high	96.6	Very high	64 Å²	64	50.8 Å²	50.8	28%	0.278	26%	0.263	S	S	.	.	S	Bend	trans	-69.5	-39.7	170	-78.3	167	176.3	155.3	0	111.8	I145 G146 P500 G501 F502 K503	I145-K543 PolarHBondContact O-NZ 3.47Å; G146-K543 PolarHBondContact O-NZ 2.8Å; P500-K543 WeakPolarHBondContact O-CD 3.31Å; G501-K543 PolarHBondContact O-N 3.49Å; F502-K543 WeakPolarHBondContact O-CD 3.45Å; F502-K543 WeakPolarHBondContact O-CE 3.19Å; F502-K543 WeakPolarHBondContact O-CG 3.42Å; F502-K543 PolarHBondContact O-NZ 3.2Å; F502-K543 VanDerWaalsContact O-NZ 3.15Å; K503-K543 HydrophobicContact CG-CG 4.22Å
544	R	94.5	Very high	96.4	Very high	163 Å²	163	53.6 Å²	53.6	62%	0.615	27%	0.273	S	S	*	.	S	Bend	trans	-134.6	92.1	-178.9	-68.2	-173	-76.1	-152.3	-3.8	108.5	E147 H546	E147-R544 IonicContact OE1-CZ 3.15Å; E147-R544 IonicContact OE1-NH1 3.25Å; E147-R544 PolarHBondContact OE1-NH1 3.2Å; E147-R544 IonicContact OE1-NH2 3.98Å; R544-H546 PolarHBondContact O-N 3.2Å
545	P	94.4	Very high	96.3	Very high	58 Å²	58	57.5 Å²	57.5	38%	0.377	29%	0.293	S	S	.	.			trans	-56.9	131.1	176.7	-26.5	36.1	0	0	0	111.9	N539 L542	N539-P545 HydrophobicContact CB-CB 4.04Å; N539-P545 HydrophobicContact CB-CG 3.94Å; L542-P545 HydrophobicContact CB-CG 4.46Å
546	H	93.3	Very high	96.1	Very high	111 Å²	111	55.9 Å²	55.9	51%	0.514	29%	0.286	S	S	.	.	S	Bend	trans	-78.6	-35.9	178.5	-174.2	65.3	0	0	0	112	D522 R544	D522-H546 HydrophobicContact CB-CB 3.91Å; D522-H546 IonicContact OD1-CD2 3.56Å; R544-H546 PolarHBondContact O-N 3.2Å
547	Y	96.6	Very high	95.9	Very high	83 Å²	83	61.6 Å²	61.6	33%	0.325	31%	0.312	S	S	.	.			trans	-109.7	133.2	-180	176.9	-105	0	0	0	111.3	H535 N539 P549	H535-Y547 HydrophobicContact CB-CD1 4.06Å; H535-Y547 HydrophobicContact CB-CE1 3.87Å; H535-Y547 AromaticContact CD2-CD1 3.57Å; H535-Y547 AromaticContact CD2-CG 3.84Å; H535-Y547 VanDerWaalsContact CE1-CB 3.47Å; H535-Y547 WeakPolarHBondContact CE1-CB 3.3Å; H535-Y547 AromaticContact CE1-CD1 3.82Å; H535-Y547 AromaticContact CE1-CD2 3.71Å; H535-Y547 AromaticContact CE1-CG 3.38Å; H535-Y547 AromaticContact CG-CD1 3.46Å; H535-Y547 VanDerWaalsContact CG-CD1 3.46Å; H535-Y547 AromaticContact CG-CE1 3.72Å; H535-Y547 AromaticContact CG-CG 3.87Å; H535-Y547 AromaticContact ND1-CD1 3.65Å; H535-Y547 AromaticContact ND1-CD2 3.82Å; H535-Y547 AromaticContact ND1-CE1 3.88Å; H535-Y547 AromaticContact ND1-CG 3.6Å; H535-Y547 VanDerWaalsContact NE2-CB 3.27Å; H535-Y547 WeakPolarHBondContact NE2-CB 3.21Å; H535-Y547 AromaticContact NE2-CD1 3.79Å; H535-Y547 AromaticContact NE2-CG 3.54Å; H535-Y547 WeakPolarHBondContact O-CE1 3.37Å; N539-Y547 PolarHBondContact ND2-O 2.97Å; Y547-P549 HydrophobicContact CD1-CB 4.47Å; Y547-P549 HydrophobicContact CE1-CB 3.89Å
548	Q	95.9	Very high	95.6	Very high	156 Å²	156	65.6 Å²	65.6	73%	0.729	33%	0.33	S	S	*	.			trans	-104.1	113.4	171.9	-70	-176.3	-3.3	0	0	108.8
549	P	96.2	Very high	95.2	Very high	10 Å²	10	67.1 Å²	67.1	7%	0.065	34%	0.34	C	S	.	.			trans	-70.6	150.7	-178.2	31.1	-36	0	0	0	111.1	Y547 V848 E849 I852	Y547-P549 HydrophobicContact CD1-CB 4.47Å; Y547-P549 HydrophobicContact CE1-CB 3.89Å; P549-V848 HydrophobicContact CB-CG1 3.84Å; P549-V848 HydrophobicContact CG-CB 4.48Å; P549-V848 HydrophobicContact CG-CG1 3.92Å; P549-V848 WeakPolarHBondContact O-CG1 3.43Å; P549-E849 HydrophobicContact CG-CG 4.12Å; P549-I852 HydrophobicContact CB-CD1 3.87Å; P549-I852 HydrophobicContact CG-CD1 3.63Å
550	V	96.1	Very high	94.5	Very high	111 Å²	111	71.3 Å²	71.3	67%	0.673	37%	0.367	S	S	*	.			trans	-127.6	156.7	172.1	-62.7	0	0	0	0	109.9
551	H	95.2	Very high	93.6	Very high	59 Å²	59	71 Å²	71	27%	0.273	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-63.4	142.9	171.5	-69.2	-51.3	0	0	0	110.8	H843	H551-H843 AromaticContact ND1-CD2 3.74Å; H551-H843 AromaticContact ND1-NE2 3.96Å
552	P	95.4	Very high	92.2	Very high	56 Å²	56	78 Å²	78	36%	0.364	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.8	142	172.9	28.3	-34.5	0	0	0	110.1	I615 S840	P552-I615 HydrophobicContact CB-CG2 4.08Å; P552-I615 HydrophobicContact CG-CG2 4.03Å; P552-S840 WeakPolarHBondContact CG-OG 3.26Å
553	A	94.4	Very high	91	Very high	75 Å²	75	79.3 Å²	79.3	62%	0.62	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-66.3	135.1	175.5	0	0	0	0	0	110.5	L555	A553-L555 PolarHBondContact O-N 3.21Å
554	Q	95.2	Very high	89.7	Confident	69 Å²	69	82.7 Å²	82.7	32%	0.322	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.1	127.2	169.7	-179	172.2	4	0	0	109.2	S556	Q554-S556 WeakPolarHBondContact CG-O 3.41Å; Q554-S556 PolarHBondContact NE2-O 3.26Å
555	L	95.9	Very high	89	Confident	102 Å²	102	79.5 Å²	79.5	53%	0.534	43%	0.431	S	S	.	.			trans	-101.9	-22.4	-178	-60.9	-167.9	0	0	0	113	A553 V614 I615 A617	A553-L555 PolarHBondContact O-N 3.21Å; L555-V614 PolarHBondContact N-O 3.11Å; L555-I615 WeakPolarHBondContact CD1-O 3.28Å; L555-I615 WeakPolarHBondContact CG-O 3.44Å; L555-A617 HydrophobicContact CB-CB 4.24Å; L555-A617 HydrophobicContact CD1-CB 4.25Å
556	S	95	Very high	88.5	Confident	7 Å²	7	78.3 Å²	78.3	5%	0.049	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-124.1	129.9	175.6	-64.9	0	0	0	0	109.3	Q554 V614 Q616 G618 N619 F621	Q554-S556 WeakPolarHBondContact CG-O 3.41Å; Q554-S556 PolarHBondContact NE2-O 3.26Å; S556-V614 PolarHBondContact N-O 3.37Å; S556-V614 VanDerWaalsContact N-O 3.16Å; S556-Q616 PolarHBondContact OG-O 3.29Å; S556-G618 PolarHBondContact OG-N 3.01Å; S556-N619 WeakPolarHBondContact CB-O 3.48Å; S556-N619 PolarHBondContact OG-N 3.16Å; S556-N619 VanDerWaalsContact OG-N 3.09Å; S556-F621 WeakPolarHBondContact O-CE1 3.49Å
557	H	93.4	Very high	88	Confident	123 Å²	123	76.6 Å²	76.6	57%	0.569	42%	0.419	S	S	*	.			trans	-105.7	156.3	-175.4	-64	-74.8	0	0	0	112.3	T559	H557-T559 PolarHBondContact O-N 2.94Å
558	E	91.1	Very high	87.2	Confident	87 Å²	87	74.1 Å²	74.1	41%	0.407	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-58.9	134.6	176.7	-177.7	-174.9	177.5	0	0	110.9	F621 L623	E558-F621 HydrophobicContact CB-CE2 4.36Å; E558-F621 HydrophobicContact CB-CZ 4.26Å; E558-L623 VanDerWaalsContact CD-CG 3.47Å; E558-L623 HydrophobicContact CG-CG 4.08Å; E558-L623 VanDerWaalsContact OE1-CB 3.31Å; E558-L623 WeakPolarHBondContact OE1-CB 3.32Å; E558-L623 PolarHBondContact OE1-N 3.19Å; E558-L623 VanDerWaalsContact OE2-CD1 3.24Å; E558-L623 WeakPolarHBondContact OE2-CD1 3.21Å
559	T	89.9	Confident	86.3	Confident	41 Å²	41	72.2 Å²	72.2	25%	0.252	41%	0.412	S	S	.	.			trans	-109.8	144.2	169.2	60.3	0	0	0	0	109.6	H557 C561 F621 C622	H557-T559 PolarHBondContact O-N 2.94Å; T559-C561 PolarHBondContact O-N 2.94Å; T559-F621 PolarHBondContact N-O 2.67Å; T559-F621 PolarHBondContact OG1-O 2.95Å; T559-C622 WeakPolarHBondContact O-CA 3.43Å; T559-C622 WeakPolarHBondContact O-CB 3.38Å
560	P	83.8	Confident	85.6	Confident	97 Å²	97	74.9 Å²	74.9	63%	0.63	43%	0.426	S	S	*	.			trans	-66.8	124.4	-178.8	-21.8	32.9	0	0	0	112.5	R635	P560-R635 PolarHBondContact O-NH2 3.32Å
561	C	77	Confident	84.9	Confident	13 Å²	13	73.8 Å²	73.8	9%	0.088	42%	0.416	C	S	.	.			trans	-97	75.6	163.5	-81.8	0	0	0	0	109.1	T559 C622 L624 R635	T559-C561 PolarHBondContact O-N 2.94Å; C561-C622 HydrophobicContact CB-CB 3.54Å; C561-C622 WeakPolarHBondContact CB-SG 3.39Å; C561-C622 WeakPolarHBondContact SG-CB 3.26Å; C561-C622 CovalentContact SG-SG 2.01Å; C561-C622 PolarHBondContact SG-SG 3.27Å; C561-L624 HydrophobicContact CB-CD2 3.75Å; C561-R635 PolarHBondContact SG-NH2 2.87Å
562	E	68.8	Low	84.4	Confident	147 Å²	147	71 Å²	71	69%	0.687	40%	0.403	S	S	*	.			trans	-118.8	125.2	176.2	-63.4	-166.9	166.2	0	0	109.4	K599	E562-K599 IonicContact OE1-NZ 3.96Å
563	S	71.8	Confident	83.9	Confident	33 Å²	33	73.1 Å²	73.1	23%	0.231	41%	0.408	C	S	.	.			trans	-116.2	131.8	165.9	175.2	0	0	0	0	107.4	N565 F666	S563-N565 VanDerWaalsContact C-N 3.25Å; S563-N565 PolarHBondContact OG-N 3.2Å; S563-N565 VanDerWaalsContact OG-N 3.17Å; S563-N565 PolarHBondContact OG-O 3.2Å; S563-F666 WeakPolarHBondContact CB-O 3.38Å; S563-F666 PolarHBondContact OG-O 3.11Å
564	T	69.3	Low	83.4	Confident	135 Å²	135	70 Å²	70	83%	0.828	38%	0.382	S	S	*	.	S	Bend	trans	-78.8	-14.1	171.5	52.3	0	0	0	0	112.1
565	N	81.3	Confident	82.6	Confident	96 Å²	96	72.1 Å²	72.1	51%	0.513	40%	0.395	S	S	.	.			trans	-90.8	114.2	-179.7	-70.3	-21.5	0	0	0	109.8	S563 V567	S563-N565 VanDerWaalsContact C-N 3.25Å; S563-N565 PolarHBondContact OG-N 3.2Å; S563-N565 VanDerWaalsContact OG-N 3.17Å; S563-N565 PolarHBondContact OG-O 3.2Å; N565-V567 PolarHBondContact O-N 3.49Å
566	L	83.7	Confident	81.8	Confident	34 Å²	34	68 Å²	68	18%	0.178	37%	0.374	C	S	.	.	S	Bend	trans	-69.5	-13.9	178.5	-71.4	166	0	0	0	113.7	T585 N588 R589 L592	L566-T585 HydrophobicContact CB-CG2 3.86Å; L566-T585 HydrophobicContact CD1-CG2 4.12Å; L566-N588 HydrophobicContact CD2-CB 3.98Å; L566-N588 PolarHBondContact O-ND2 2.88Å; L566-R589 HydrophobicContact CD1-CB 4.27Å; L566-R589 VanDerWaalsContact CD2-CA 3.48Å; L566-R589 HydrophobicContact CD2-CB 3.95Å; L566-L592 HydrophobicContact CD2-CD1 3.41Å; L566-L592 VanDerWaalsContact CD2-CD1 3.41Å; L566-L592 HydrophobicContact CD2-CG 4.47Å; L566-L592 HydrophobicContact CG-CD1 4.18Å
567	V	82.7	Confident	80.5	Confident	75 Å²	75	73.6 Å²	73.6	46%	0.455	41%	0.413	S	S	.	.	S	Bend	trans	-108	124.8	177.3	-176	0	0	0	0	107.7	N565	N565-V567 PolarHBondContact O-N 3.49Å
568	P	79.8	Confident	79.4	Confident	30 Å²	30	71.9 Å²	71.9	20%	0.195	42%	0.415	C	S	.	.			trans	-55.2	138.9	172.7	-23	32.8	0	0	0	110.9	D570 A664 F666	P568-D570 WeakPolarHBondContact CB-O 3.48Å; P568-D570 PolarHBondContact O-N 2.63Å; P568-A664 HydrophobicContact CB-CB 3.98Å; P568-A664 HydrophobicContact CG-CB 4Å; P568-F666 HydrophobicContact CG-CB 4.13Å
569	T	77.5	Confident	78.6	Confident	117 Å²	117	70.2 Å²	70.2	72%	0.718	41%	0.407	S	S	*	.	S	Bend	trans	-66.2	-24.4	176.9	50.4	0	0	0	0	112.8
570	D	80.8	Confident	78.2	Confident	66 Å²	66	70.6 Å²	70.6	35%	0.353	41%	0.412	S	S	.	.			trans	-141.4	136.7	177.8	-171.1	-23.2	0	0	0	107.2	P568 L572	P568-D570 WeakPolarHBondContact CB-O 3.48Å; P568-D570 PolarHBondContact O-N 2.63Å; D570-L572 HydrophobicContact CB-CD2 4.41Å; D570-L572 PolarHBondContact O-N 3.36Å; D570-L572 PolarHBondContact OD1-N 2.82Å
571	N	81.8	Confident	78.1	Confident	88 Å²	88	70 Å²	70	47%	0.471	41%	0.406	S	S	.	.			trans	-79.2	-3.5	176.9	70.4	3.1	0	0	0	112.7	H573 C574	N571-H573 PolarHBondContact O-N 3.47Å; N571-H573 VanDerWaalsContact O-N 3.13Å; N571-H573 PolarHBondContact OD1-N 3.08Å; N571-C574 WeakPolarHBondContact O-CB 3.37Å; N571-C574 PolarHBondContact O-N 3.12Å; N571-C574 PolarHBondContact O-SG 3.17Å; N571-C574 VanDerWaalsContact O-SG 3.4Å
572	L	84.3	Confident	78.5	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	26.8	179.1	-56	170.8	0	0	0	112.7	D570 C574 A664 N673 L675 C676	D570-L572 HydrophobicContact CB-CD2 4.41Å; D570-L572 PolarHBondContact O-N 3.36Å; D570-L572 PolarHBondContact OD1-N 2.82Å; L572-C574 PolarHBondContact O-N 2.94Å; L572-C574 VanDerWaalsContact O-N 3.15Å; L572-A664 HydrophobicContact CD1-CB 3.8Å; L572-A664 HydrophobicContact CG-CB 4.16Å; L572-N673 HydrophobicContact CD1-CB 3.5Å; L572-N673 WeakPolarHBondContact CD1-ND2 3.27Å; L572-N673 HydrophobicContact CD2-CB 4.48Å; L572-L675 HydrophobicContact CB-CD2 4.26Å; L572-L675 HydrophobicContact CD2-CD2 4.09Å; L572-C676 PolarHBondContact O-N 3.22Å
573	H	85.6	Confident	79.3	Confident	99 Å²	99	75 Å²	75	46%	0.458	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	21.1	-170.6	-57.6	-85	0	0	0	114.2	N571 L677	N571-H573 PolarHBondContact O-N 3.47Å; N571-H573 VanDerWaalsContact O-N 3.13Å; N571-H573 PolarHBondContact OD1-N 3.08Å; H573-L677 HydrophobicContact CB-CB 3.91Å
574	C	83.9	Confident	79.9	Confident	11 Å²	11	75.5 Å²	75.5	7%	0.074	43%	0.425	C	S	.	.			trans	-76.1	131.6	170.4	-52.4	0	0	0	0	108.7	N571 L572 I662 C676	N571-C574 WeakPolarHBondContact O-CB 3.37Å; N571-C574 PolarHBondContact O-N 3.12Å; N571-C574 PolarHBondContact O-SG 3.17Å; N571-C574 VanDerWaalsContact O-SG 3.4Å; L572-C574 PolarHBondContact O-N 2.94Å; L572-C574 VanDerWaalsContact O-N 3.15Å; C574-I662 VanDerWaalsContact CB-O 3.3Å; C574-I662 WeakPolarHBondContact CB-O 3.33Å; C574-C676 HydrophobicContact CB-CB 3.75Å; C574-C676 WeakPolarHBondContact CB-SG 3.41Å; C574-C676 WeakPolarHBondContact SG-CB 3.22Å; C574-C676 CovalentContact SG-SG 2.03Å; C574-C676 PolarHBondContact SG-SG 3.03Å
575	L	78.4	Confident	80.8	Confident	113 Å²	113	70.5 Å²	70.5	59%	0.592	39%	0.394	S	S	*	.			trans	-120	123.1	-174.7	-67.9	172.4	0	0	0	110.6
576	C	77.1	Confident	81.1	Confident	15 Å²	15	70.4 Å²	70.4	10%	0.101	39%	0.39	C	S	.	.			trans	-124.2	76.7	172.2	-163.7	0	0	0	0	110.4	S578 Q579 C661	C576-S578 PolarHBondContact O-N 3.41Å; C576-Q579 HydrophobicContact CB-CB 4.35Å; C576-Q579 PolarHBondContact O-N 3.32Å; C576-Q579 WeakPolarHBondContact SG-CG 3.38Å; C576-C661 HydrophobicContact CB-CB 3.78Å; C576-C661 WeakPolarHBondContact CB-SG 3.28Å; C576-C661 WeakPolarHBondContact SG-CB 3.37Å; C576-C661 CovalentContact SG-SG 2Å; C576-C661 PolarHBondContact SG-SG 3.04Å
577	S	69	Low	81.3	Confident	124 Å²	124	70.2 Å²	70.2	87%	0.867	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.6	-175.5	52.4	0	0	0	0	114.4
578	S	69.6	Low	81.6	Confident	87 Å²	87	66.8 Å²	66.8	61%	0.608	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.6	179.1	59.1	0	0	0	0	114.7	C576	C576-S578 PolarHBondContact O-N 3.41Å
579	Q	74.9	Confident	82	Confident	53 Å²	53	71.5 Å²	71.5	25%	0.248	38%	0.382	C	S	.	.			trans	-118.5	135.6	-176.2	-65.3	-179.2	8.8	0	0	111.4	C576 E584	C576-Q579 HydrophobicContact CB-CB 4.35Å; C576-Q579 PolarHBondContact O-N 3.32Å; C576-Q579 WeakPolarHBondContact SG-CG 3.38Å; Q579-E584 HydrophobicContact CB-CG 4.22Å
580	S	81.6	Confident	82.4	Confident	49 Å²	49	70.5 Å²	70.5	34%	0.343	37%	0.371	S	S	.	.			trans	-86.6	156.5	171.9	79.7	0	0	0	0	110.2	E582 K583 E584	S580-E582 WeakPolarHBondContact CB-OE2 3.26Å; S580-E582 PolarHBondContact O-N 3.11Å; S580-E582 PolarHBondContact OG-OE2 2.88Å; S580-K583 WeakPolarHBondContact O-CB 3.39Å; S580-K583 PolarHBondContact O-N 3.16Å; S580-K583 PolarHBondContact OG-N 3.36Å; S580-E584 PolarHBondContact O-N 3.01Å; S580-E584 VanDerWaalsContact O-N 3.08Å
581	T	82.1	Confident	82.6	Confident	83 Å²	83	68 Å²	68	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-56.6	-33.3	177.9	-52.9	0	0	0	0	112.2	E584 T585	T581-E584 PolarHBondContact O-N 2.97Å; T581-T585 WeakPolarHBondContact O-CB 3.41Å; T581-T585 PolarHBondContact O-N 2.96Å; T581-T585 PolarHBondContact O-OG1 3.29Å
582	E	84.8	Confident	82.8	Confident	137 Å²	137	67.4 Å²	67.4	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-65.8	-41.7	175.9	-57.3	76.4	-163.2	0	0	111.9	S580 T585 E586	S580-E582 WeakPolarHBondContact CB-OE2 3.26Å; S580-E582 PolarHBondContact O-N 3.11Å; S580-E582 PolarHBondContact OG-OE2 2.88Å; E582-T585 PolarHBondContact O-N 2.6Å; E582-E586 PolarHBondContact O-N 3.13Å
583	K	85.1	Confident	82.8	Confident	130 Å²	130	71.3 Å²	71.3	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-64.5	-45.1	176.7	-72.2	-177.5	178.4	178.2	0	111.1	S580 T585 E586 M587	S580-K583 WeakPolarHBondContact O-CB 3.39Å; S580-K583 PolarHBondContact O-N 3.16Å; S580-K583 PolarHBondContact OG-N 3.36Å; K583-T585 VanDerWaalsContact C-N 3.33Å; K583-T585 PolarHBondContact O-N 3Å; K583-E586 PolarHBondContact O-N 3.27Å; K583-M587 WeakPolarHBondContact O-CE 3.07Å; K583-M587 WeakPolarHBondContact O-CG 3.33Å; K583-M587 PolarHBondContact O-N 3.4Å
584	E	85.5	Confident	82.7	Confident	42 Å²	42	68.1 Å²	68.1	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-43.2	176.2	-70.5	-172.4	168.7	0	0	112	Q579 S580 T581 E586 M587 N588	Q579-E584 HydrophobicContact CB-CG 4.22Å; S580-E584 PolarHBondContact O-N 3.01Å; S580-E584 VanDerWaalsContact O-N 3.08Å; T581-E584 PolarHBondContact O-N 2.97Å; E584-E586 VanDerWaalsContact C-N 3.31Å; E584-E586 PolarHBondContact O-N 2.85Å; E584-M587 HydrophobicContact CB-CE 4.42Å; E584-M587 HydrophobicContact CG-CE 4.1Å; E584-M587 PolarHBondContact O-N 3.23Å; E584-N588 WeakPolarHBondContact O-CB 3.35Å; E584-N588 PolarHBondContact O-N 3.25Å; E584-N588 PolarHBondContact O-ND2 3.09Å
585	T	87.4	Confident	82.9	Confident	30 Å²	30	72.1 Å²	72.1	18%	0.184	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-41.2	176.7	-58.4	0	0	0	0	111.6	L566 T581 E582 K583 N588 R589	L566-T585 HydrophobicContact CB-CG2 3.86Å; L566-T585 HydrophobicContact CD1-CG2 4.12Å; T581-T585 WeakPolarHBondContact O-CB 3.41Å; T581-T585 PolarHBondContact O-N 2.96Å; T581-T585 PolarHBondContact O-OG1 3.29Å; E582-T585 PolarHBondContact O-N 2.6Å; K583-T585 VanDerWaalsContact C-N 3.33Å; K583-T585 PolarHBondContact O-N 3Å; T585-N588 PolarHBondContact O-N 3.41Å; T585-R589 WeakPolarHBondContact O-CB 3.33Å; T585-R589 PolarHBondContact O-N 2.84Å
586	E	87.9	Confident	83.4	Confident	94 Å²	94	71.6 Å²	71.6	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-69.1	-41.5	177.9	-173.2	58.2	-165.7	0	0	112.2	E582 K583 E584 N588 R589 I590	E582-E586 PolarHBondContact O-N 3.13Å; K583-E586 PolarHBondContact O-N 3.27Å; E584-E586 VanDerWaalsContact C-N 3.31Å; E584-E586 PolarHBondContact O-N 2.85Å; E586-N588 VanDerWaalsContact C-N 3.32Å; E586-N588 PolarHBondContact O-N 2.92Å; E586-R589 WeakPolarHBondContact O-CB 3.32Å; E586-R589 PolarHBondContact O-N 2.8Å; E586-R589 VanDerWaalsContact O-N 3.17Å; E586-R589 IonicContact OE2-NH1 3.21Å; E586-R589 PolarHBondContact OE2-NH1 2.89Å; E586-I590 WeakPolarHBondContact O-CG1 3.46Å; E586-I590 PolarHBondContact O-N 3.22Å
587	M	87.9	Confident	84.1	Confident	31 Å²	31	76.4 Å²	76.4	15%	0.153	42%	0.417	C	S	.	.	H	α-helix	trans	-59	-44	172.6	-72.5	-176	-73.7	0	0	111.8	K583 E584 R589 I590 I591 S702	K583-M587 WeakPolarHBondContact O-CE 3.07Å; K583-M587 WeakPolarHBondContact O-CG 3.33Å; K583-M587 PolarHBondContact O-N 3.4Å; E584-M587 HydrophobicContact CB-CE 4.42Å; E584-M587 HydrophobicContact CG-CE 4.1Å; E584-M587 PolarHBondContact O-N 3.23Å; M587-R589 VanDerWaalsContact C-N 3.3Å; M587-R589 PolarHBondContact O-N 3.44Å; M587-I590 PolarHBondContact O-N 2.96Å; M587-I591 PolarHBondContact O-N 3.35Å; M587-S702 PolarHBondContact SD-OG 3.08Å
588	N	88.6	Confident	85.2	Confident	2 Å²	2	72 Å²	72	1%	0.011	39%	0.388	C	S	.	.	H	α-helix	trans	-66	-33.4	177.5	-67.8	-15	0	0	0	112	L566 E584 T585 E586 I591 L592 F666	L566-N588 HydrophobicContact CD2-CB 3.98Å; L566-N588 PolarHBondContact O-ND2 2.88Å; E584-N588 WeakPolarHBondContact O-CB 3.35Å; E584-N588 PolarHBondContact O-N 3.25Å; E584-N588 PolarHBondContact O-ND2 3.09Å; T585-N588 PolarHBondContact O-N 3.41Å; E586-N588 VanDerWaalsContact C-N 3.32Å; E586-N588 PolarHBondContact O-N 2.92Å; N588-I591 PolarHBondContact O-N 3.03Å; N588-L592 PolarHBondContact O-N 3.27Å; N588-F666 HydrophobicContact CB-CD1 3.54Å; N588-F666 HydrophobicContact CB-CE1 3.6Å; N588-F666 HydrophobicContact CB-CG 4.12Å; N588-F666 HydrophobicContact CB-CZ 4.24Å; N588-F666 WeakPolarHBondContact OD1-CD1 3.28Å
589	R	88.5	Confident	86.3	Confident	129 Å²	129	70.9 Å²	70.9	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.1	178	-178.4	-90.9	120.2	-2.5	111.2	L566 T585 E586 M587 I591 L592 S593	L566-R589 HydrophobicContact CD1-CB 4.27Å; L566-R589 VanDerWaalsContact CD2-CA 3.48Å; L566-R589 HydrophobicContact CD2-CB 3.95Å; T585-R589 WeakPolarHBondContact O-CB 3.33Å; T585-R589 PolarHBondContact O-N 2.84Å; E586-R589 WeakPolarHBondContact O-CB 3.32Å; E586-R589 PolarHBondContact O-N 2.8Å; E586-R589 VanDerWaalsContact O-N 3.17Å; E586-R589 IonicContact OE2-NH1 3.21Å; E586-R589 PolarHBondContact OE2-NH1 2.89Å; M587-R589 VanDerWaalsContact C-N 3.3Å; M587-R589 PolarHBondContact O-N 3.44Å; R589-I591 VanDerWaalsContact C-N 3.34Å; R589-I591 PolarHBondContact O-N 2.77Å; R589-L592 PolarHBondContact O-N 3.47Å; R589-S593 WeakPolarHBondContact O-CB 3.34Å; R589-S593 PolarHBondContact O-N 2.66Å
590	I	86.2	Confident	87.2	Confident	96 Å²	96	70 Å²	70	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-47.1	176.7	-66.9	166.4	0	0	0	110.2	E586 M587 L592 S593	E586-I590 WeakPolarHBondContact O-CG1 3.46Å; E586-I590 PolarHBondContact O-N 3.22Å; M587-I590 PolarHBondContact O-N 2.96Å; I590-L592 PolarHBondContact O-N 3.26Å; I590-S593 PolarHBondContact O-N 3.1Å; I590-S593 PolarHBondContact O-OG 3.46Å
591	I	85.5	Confident	87.8	Confident	15 Å²	15	73 Å²	73	8%	0.077	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-47	177.3	-65.6	172.9	0	0	0	111	M587 N588 R589 S593 T594 F666	M587-I591 PolarHBondContact O-N 3.35Å; N588-I591 PolarHBondContact O-N 3.03Å; R589-I591 VanDerWaalsContact C-N 3.34Å; R589-I591 PolarHBondContact O-N 2.77Å; I591-S593 VanDerWaalsContact C-N 3.33Å; I591-S593 PolarHBondContact O-N 3.12Å; I591-T594 WeakPolarHBondContact O-CB 3.22Å; I591-T594 PolarHBondContact O-N 3.08Å; I591-T594 PolarHBondContact O-OG1 3.43Å; I591-F666 HydrophobicContact CB-CE1 4.27Å; I591-F666 HydrophobicContact CB-CZ 4.37Å; I591-F666 HydrophobicContact CD1-CE1 4.46Å; I591-F666 HydrophobicContact CG2-CE1 4.21Å; I591-F666 HydrophobicContact CG2-CZ 4.17Å
592	L	84.9	Confident	88.4	Confident	74 Å²	74	70.1 Å²	70.1	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-30.9	178.1	-88.4	170.4	0	0	0	114	L566 N588 R589 I590 T594 F666	L566-L592 HydrophobicContact CD2-CD1 3.41Å; L566-L592 VanDerWaalsContact CD2-CD1 3.41Å; L566-L592 HydrophobicContact CD2-CG 4.47Å; L566-L592 HydrophobicContact CG-CD1 4.18Å; N588-L592 PolarHBondContact O-N 3.27Å; R589-L592 PolarHBondContact O-N 3.47Å; I590-L592 PolarHBondContact O-N 3.26Å; L592-T594 PolarHBondContact O-N 2.89Å; L592-T594 VanDerWaalsContact O-N 3.12Å; L592-F666 HydrophobicContact CD1-CD2 4.29Å; L592-F666 HydrophobicContact CD1-CE2 3.39Å; L592-F666 HydrophobicContact CD1-CZ 3.94Å; L592-F666 HydrophobicContact CD2-CE2 3.95Å; L592-F666 HydrophobicContact CD2-CZ 4.3Å; L592-F666 HydrophobicContact CG-CE2 3.46Å; L592-F666 VanDerWaalsContact CG-CE2 3.46Å; L592-F666 HydrophobicContact CG-CZ 3.6Å
593	S	83.6	Confident	88.9	Confident	84 Å²	84	67.9 Å²	67.9	59%	0.587	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8	-177.8	76.2	0	0	0	0	114.2	R589 I590 I591 N595	R589-S593 WeakPolarHBondContact O-CB 3.34Å; R589-S593 PolarHBondContact O-N 2.66Å; I590-S593 PolarHBondContact O-N 3.1Å; I590-S593 PolarHBondContact O-OG 3.46Å; I591-S593 VanDerWaalsContact C-N 3.33Å; I591-S593 PolarHBondContact O-N 3.12Å; S593-N595 PolarHBondContact O-N 3.28Å
594	T	83.8	Confident	89.3	Confident	32 Å²	32	68.1 Å²	68.1	20%	0.196	35%	0.345	C	S	.	.			trans	-65.9	98.7	179.6	-49.6	0	0	0	0	110.9	I591 L592 A598 K599 L602	I591-T594 WeakPolarHBondContact O-CB 3.22Å; I591-T594 PolarHBondContact O-N 3.08Å; I591-T594 PolarHBondContact O-OG1 3.43Å; L592-T594 PolarHBondContact O-N 2.89Å; L592-T594 VanDerWaalsContact O-N 3.12Å; T594-A598 HydrophobicContact CG2-CB 3.7Å; T594-K599 HydrophobicContact CG2-CG 3.91Å; T594-K599 VanDerWaalsContact O-CE 3.3Å; T594-K599 WeakPolarHBondContact O-CE 3.29Å; T594-L602 HydrophobicContact CG2-CD1 4.04Å
595	N	87.9	Confident	89.8	Confident	95 Å²	95	69.1 Å²	69.1	51%	0.508	35%	0.351	S	S	.	.			trans	-69.9	171	-180	71.4	32.3	0	0	0	113	S593 E597 A598 K599	S593-N595 PolarHBondContact O-N 3.28Å; N595-E597 VanDerWaalsContact C-N 3.29Å; N595-E597 PolarHBondContact O-N 3.08Å; N595-E597 WeakPolarHBondContact OD1-CB 3.48Å; N595-E597 PolarHBondContact OD1-N 3.19Å; N595-E597 VanDerWaalsContact OD1-N 3.09Å; N595-A598 PolarHBondContact O-N 3.4Å; N595-A598 PolarHBondContact OD1-N 2.82Å; N595-K599 WeakPolarHBondContact O-CG 3.4Å; N595-K599 PolarHBondContact O-N 3.25Å
596	S	88.9	Confident	90.3	Very high	101 Å²	101	67.9 Å²	67.9	71%	0.706	34%	0.344	S	S	*	.	H	α-helix	trans	-59.6	-33.6	-177.6	-56.8	0	0	0	0	114.1	A600	S596-A600 WeakPolarHBondContact O-CB 3.29Å; S596-A600 PolarHBondContact O-N 2.87Å
597	E	92.9	Very high	90.7	Very high	117 Å²	117	64 Å²	64	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-69.3	-43.5	177.6	-166.4	-163.8	147.6	0	0	111.3	N595 A600 K601	N595-E597 VanDerWaalsContact C-N 3.29Å; N595-E597 PolarHBondContact O-N 3.08Å; N595-E597 WeakPolarHBondContact OD1-CB 3.48Å; N595-E597 PolarHBondContact OD1-N 3.19Å; N595-E597 VanDerWaalsContact OD1-N 3.09Å; E597-A600 PolarHBondContact O-N 3.48Å; E597-K601 PolarHBondContact O-N 3.31Å; E597-K601 WeakPolarHBondContact OE1-CE 3.29Å; E597-K601 IonicContact OE1-NZ 2.72Å; E597-K601 PolarHBondContact OE1-NZ 3.26Å
598	A	91.3	Very high	91.1	Very high	32 Å²	32	62.7 Å²	62.7	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-45.8	174	0	0	0	0	0	111	T594 N595 A600 K601 L602	T594-A598 HydrophobicContact CG2-CB 3.7Å; N595-A598 PolarHBondContact O-N 3.4Å; N595-A598 PolarHBondContact OD1-N 2.82Å; A598-A600 VanDerWaalsContact C-N 3.25Å; A598-A600 PolarHBondContact O-N 3.09Å; A598-K601 PolarHBondContact O-N 3.31Å; A598-K601 VanDerWaalsContact O-N 3.08Å; A598-L602 WeakPolarHBondContact O-CG 3.02Å; A598-L602 PolarHBondContact O-N 2.93Å
599	K	92.6	Very high	91.4	Very high	63 Å²	63	63 Å²	63	27%	0.274	32%	0.321	S	S	.	.	H	α-helix	trans	-55.1	-40.5	173.3	-72	-177.1	-178.4	178	0	111.7	E562 T594 N595 R603	E562-K599 IonicContact OE1-NZ 3.96Å; T594-K599 HydrophobicContact CG2-CG 3.91Å; T594-K599 VanDerWaalsContact O-CE 3.3Å; T594-K599 WeakPolarHBondContact O-CE 3.29Å; N595-K599 WeakPolarHBondContact O-CG 3.4Å; N595-K599 PolarHBondContact O-N 3.25Å; K599-R603 WeakPolarHBondContact O-CG 3.23Å; K599-R603 PolarHBondContact O-N 3.07Å
600	A	93.7	Very high	91.7	Very high	35 Å²	35	58.3 Å²	58.3	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-68.4	-38.3	176.5	0	0	0	0	0	113.2	S596 E597 A598 R603 R604	S596-A600 WeakPolarHBondContact O-CB 3.29Å; S596-A600 PolarHBondContact O-N 2.87Å; E597-A600 PolarHBondContact O-N 3.48Å; A598-A600 VanDerWaalsContact C-N 3.25Å; A598-A600 PolarHBondContact O-N 3.09Å; A600-R603 PolarHBondContact O-N 3.08Å; A600-R604 WeakPolarHBondContact O-CG 3.35Å; A600-R604 PolarHBondContact O-N 3.44Å
601	K	94.7	Very high	92.2	Very high	110 Å²	110	56.5 Å²	56.5	48%	0.478	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-46.3	173.4	-72.5	173.4	-173.7	166.8	0	111.3	E597 A598 R603 R604 L605	E597-K601 PolarHBondContact O-N 3.31Å; E597-K601 WeakPolarHBondContact OE1-CE 3.29Å; E597-K601 IonicContact OE1-NZ 2.72Å; E597-K601 PolarHBondContact OE1-NZ 3.26Å; A598-K601 PolarHBondContact O-N 3.31Å; A598-K601 VanDerWaalsContact O-N 3.08Å; K601-R603 VanDerWaalsContact C-N 3.34Å; K601-R603 PolarHBondContact O-N 3.04Å; K601-R604 PolarHBondContact O-N 2.83Å; K601-R604 VanDerWaalsContact O-N 3.16Å; K601-L605 PolarHBondContact O-N 3.48Å
602	L	95.4	Very high	92.8	Very high	24 Å²	24	56 Å²	56	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-41.7	176.5	-66.2	171.6	0	0	0	111.8	T594 A598 R604 L605 H606 H626 A627 L630	T594-L602 HydrophobicContact CG2-CD1 4.04Å; A598-L602 WeakPolarHBondContact O-CG 3.02Å; A598-L602 PolarHBondContact O-N 2.93Å; L602-R604 PolarHBondContact O-N 2.8Å; L602-L605 PolarHBondContact O-N 2.77Å; L602-H606 PolarHBondContact O-N 2.96Å; L602-H626 WeakPolarHBondContact CD1-O 3.31Å; L602-A627 VanDerWaalsContact CD2-O 3.27Å; L602-A627 WeakPolarHBondContact CD2-O 2.98Å; L602-L630 HydrophobicContact CB-CD2 4.28Å
603	R	95.3	Very high	93.4	Very high	90 Å²	90	53.1 Å²	53.1	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-43.5	173.3	-75.6	172.2	-176.9	-178.2	1.8	112.2	K599 A600 K601 L605 H607 H625 L630	K599-R603 WeakPolarHBondContact O-CG 3.23Å; K599-R603 PolarHBondContact O-N 3.07Å; A600-R603 PolarHBondContact O-N 3.08Å; K601-R603 VanDerWaalsContact C-N 3.34Å; K601-R603 PolarHBondContact O-N 3.04Å; R603-L605 VanDerWaalsContact C-N 3.25Å; R603-L605 PolarHBondContact O-N 3.11Å; R603-H607 CarbonylContact O-C 3.52Å; R603-H607 VanDerWaalsContact O-CA 3.23Å; R603-H607 WeakPolarHBondContact O-CA 3.29Å; R603-H607 WeakPolarHBondContact O-CB 3.49Å; R603-H607 PolarHBondContact O-N 2.82Å; R603-H625 PolarHBondContact NE-CE1 3.49Å; R603-H625 PolarHBondContact NE-NE2 3.13Å; R603-H625 PolarHBondContact NH2-NE2 2.87Å; R603-L630 HydrophobicContact CB-CD1 4.5Å; R603-L630 HydrophobicContact CG-CD1 4.02Å
604	R	94	Very high	94	Very high	135 Å²	135	49.2 Å²	49.2	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-30.3	176.5	-73.7	-171.9	-68.4	-97.3	3.1	113.1	A600 K601 L602	A600-R604 WeakPolarHBondContact O-CG 3.35Å; A600-R604 PolarHBondContact O-N 3.44Å; K601-R604 PolarHBondContact O-N 2.83Å; K601-R604 VanDerWaalsContact O-N 3.16Å; L602-R604 PolarHBondContact O-N 2.8Å
605	L	95.8	Very high	94.6	Very high	62 Å²	62	49.9 Å²	49.9	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-80.7	-50.7	-179.4	179.5	58.2	0	0	0	112.2	K601 L602 R603 T646 V787	K601-L605 PolarHBondContact O-N 3.48Å; L602-L605 PolarHBondContact O-N 2.77Å; R603-L605 VanDerWaalsContact C-N 3.25Å; R603-L605 PolarHBondContact O-N 3.11Å; L605-T646 VanDerWaalsContact O-CB 3.3Å; L605-T646 WeakPolarHBondContact O-CB 2.96Å; L605-T646 PolarHBondContact O-OG1 2.91Å; L605-V787 HydrophobicContact CD1-CG2 3.91Å
606	H	97.1	Very high	94.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-99.4	-18.8	-171.4	-61.4	-48.5	0	0	0	113.9	L602 P608 A627 D628 L630 S644 T646 N740	L602-H606 PolarHBondContact O-N 2.96Å; H606-P608 WeakPolarHBondContact O-CD 3.4Å; H606-A627 PolarHBondContact NE2-O 2.96Å; H606-D628 VanDerWaalsContact CE1-C 3.49Å; H606-D628 PolarHBondContact CE1-O 3.12Å; H606-D628 PolarHBondContact NE2-O 3.42Å; H606-L630 HydrophobicContact CB-CD1 3.99Å; H606-L630 HydrophobicContact CB-CG 3.94Å; H606-S644 PolarHBondContact O-OG 2.81Å; H606-T646 PolarHBondContact ND1-N 3.22Å; H606-N740 PolarHBondContact O-ND2 3.39Å
607	H	96.6	Very high	95	Very high	14 Å²	14	45 Å²	45	7%	0.065	24%	0.235	C	C	.	.			trans	-117.5	58.5	164.7	-59.3	149.2	0	0	0	111.6	R603 F609 G610 I611 L630 W642	R603-H607 CarbonylContact O-C 3.52Å; R603-H607 VanDerWaalsContact O-CA 3.23Å; R603-H607 WeakPolarHBondContact O-CA 3.29Å; R603-H607 WeakPolarHBondContact O-CB 3.49Å; R603-H607 PolarHBondContact O-N 2.82Å; H607-F609 PolarHBondContact O-N 3.1Å; H607-G610 PolarHBondContact O-N 2.91Å; H607-G610 VanDerWaalsContact O-N 3.09Å; H607-I611 HydrophobicContact CB-CG1 4.47Å; H607-I611 VanDerWaalsContact ND1-CG1 3.31Å; H607-I611 WeakPolarHBondContact ND1-CG1 3.38Å; H607-L630 WeakPolarHBondContact CE1-CD1 3.37Å; H607-L630 WeakPolarHBondContact ND1-CD1 3.49Å; H607-W642 AromaticContact CE1-CH2 3.1Å; H607-W642 WeakPolarHBondContact CE1-CH2 3.41Å; H607-W642 AromaticContact CE1-CZ2 3.91Å; H607-W642 AromaticContact CE1-CZ3 3.63Å; H607-W642 AromaticContact NE2-CE3 3.97Å; H607-W642 AromaticContact NE2-CH2 2.94Å; H607-W642 WeakPolarHBondContact NE2-CH2 3.41Å; H607-W642 AromaticContact NE2-CZ2 3.92Å; H607-W642 AromaticContact NE2-CZ3 2.92Å; H607-W642 WeakPolarHBondContact NE2-CZ3 3.39Å
608	P	95.9	Very high	94.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.019	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.6	-178.3	25.3	-32.7	0	0	0	112	H606 N740 R845	H606-P608 WeakPolarHBondContact O-CD 3.4Å; P608-N740 HydrophobicContact CG-CB 4.19Å; P608-R845 WeakPolarHBondContact O-CD 3.46Å; P608-R845 WeakPolarHBondContact O-CG 3.28Å; P608-R845 PolarHBondContact O-NE 3.44Å
609	F	95.5	Very high	94.6	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	19.3	-178	-41	-61.1	0	0	0	113.9	H607 N740 T777 P786 L793 Y842 H843 G844	H607-F609 PolarHBondContact O-N 3.1Å; F609-N740 HydrophobicContact CE2-CB 4.01Å; F609-T777 HydrophobicContact CD2-CG2 3.96Å; F609-T777 HydrophobicContact CE2-CG2 3.38Å; F609-T777 HydrophobicContact CZ-CG2 3.83Å; F609-P786 WeakPolarHBondContact CE1-O 3.39Å; F609-P786 HydrophobicContact CZ-CB 4.17Å; F609-P786 WeakPolarHBondContact CZ-O 3.5Å; F609-L793 HydrophobicContact CD1-CD1 3.59Å; F609-L793 HydrophobicContact CD1-CD2 4.29Å; F609-L793 HydrophobicContact CE1-CD1 3.64Å; F609-L793 HydrophobicContact CE1-CD2 3.5Å; F609-L793 VanDerWaalsContact CE1-CD2 3.5Å; F609-L793 HydrophobicContact CE1-CG 4.24Å; F609-L793 HydrophobicContact CG-CD1 4.12Å; F609-L793 HydrophobicContact CZ-CD1 4.2Å; F609-L793 HydrophobicContact CZ-CD2 3.84Å; F609-Y842 HydrophobicContact CB-CD1 3.61Å; F609-Y842 HydrophobicContact CB-CE1 4.31Å; F609-Y842 HydrophobicContact CD2-CD1 4.15Å; F609-Y842 AromaticContact CD2-CE1 3.99Å; F609-Y842 HydrophobicContact CD2-CE1 3.99Å; F609-Y842 HydrophobicContact CG-CD1 4.03Å; F609-Y842 HydrophobicContact CG-CE1 4.34Å; F609-Y842 CarbonylContact O-C 3.59Å; F609-Y842 VanDerWaalsContact O-CA 3.31Å; F609-Y842 WeakPolarHBondContact O-CA 3.46Å; F609-H843 PolarHBondContact O-N 3.15Å; F609-G844 PolarHBondContact O-N 3.13Å; F609-G844 VanDerWaalsContact O-N 3.09Å
610	G	95	Very high	94.6	Very high	30 Å²	30	40.2 Å²	40.2	31%	0.309	23%	0.23	S	C	.	.			trans	94.3	156.7	-177.3	0	0	0	0	0	113.3	H607	H607-G610 PolarHBondContact O-N 2.91Å; H607-G610 VanDerWaalsContact O-N 3.09Å
611	I	95.8	Very high	94.6	Very high	58 Å²	58	38.7 Å²	38.7	30%	0.297	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-70.4	135.2	175.9	-63.4	155.7	0	0	0	108	H607 S613 L623 W642	H607-I611 HydrophobicContact CB-CG1 4.47Å; H607-I611 VanDerWaalsContact ND1-CG1 3.31Å; H607-I611 WeakPolarHBondContact ND1-CG1 3.38Å; I611-S613 PolarHBondContact O-N 3.01Å; I611-L623 HydrophobicContact CD1-CD1 3.84Å; I611-L623 HydrophobicContact CG1-CD1 4.45Å; I611-L623 HydrophobicContact CG2-CD1 4.33Å; I611-L623 HydrophobicContact CG2-CD2 4.14Å; I611-W642 HydrophobicContact CG2-CZ2 4.1Å
612	P	97.6	Very high	94.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.039	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-56.8	123.7	172.8	-24.8	34.5	0	0	0	111.6	W642 S840 F841	P612-W642 HydrophobicContact CB-CD2 4.4Å; P612-W642 HydrophobicContact CB-CG 4.28Å; P612-W642 HydrophobicContact CG-CD2 3.76Å; P612-W642 HydrophobicContact CG-CE3 4.26Å; P612-W642 HydrophobicContact CG-CG 4Å; P612-W642 HydrophobicContact CG-CZ2 4.45Å; P612-S840 CarbonylContact C-O 3.53Å; P612-S840 WeakPolarHBondContact CA-O 3.23Å; P612-F841 HydrophobicContact CB-CD1 3.96Å; P612-F841 HydrophobicContact CB-CE1 3.95Å; P612-F841 HydrophobicContact CG-CD1 3.93Å; P612-F841 HydrophobicContact CG-CE1 4.01Å
613	S	97.1	Very high	94.5	Very high	13 Å²	13	33.1 Å²	33.1	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.1	178.9	-68.6	0	0	0	0	110.1	I611 I615 L839 S840 H843	I611-S613 PolarHBondContact O-N 3.01Å; S613-I615 PolarHBondContact O-N 2.93Å; S613-L839 CarbonylContact O-C 3.56Å; S613-L839 WeakPolarHBondContact O-CA 3.47Å; S613-S840 PolarHBondContact N-O 3.12Å; S613-S840 PolarHBondContact O-N 3Å; S613-H843 PolarHBondContact OG-CE1 3.31Å; S613-H843 VanDerWaalsContact OG-CE1 3.31Å; S613-H843 PolarHBondContact OG-ND1 3Å
614	V	97	Very high	94.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105.7	176.5	-173.3	0	0	0	0	109.4	L555 S556 N619 F621 L641 L839	L555-V614 PolarHBondContact N-O 3.11Å; S556-V614 PolarHBondContact N-O 3.37Å; S556-V614 VanDerWaalsContact N-O 3.16Å; V614-N619 HydrophobicContact CG1-CB 4Å; V614-F621 HydrophobicContact CB-CD1 4.44Å; V614-F621 HydrophobicContact CB-CE1 3.97Å; V614-F621 HydrophobicContact CB-CZ 4.48Å; V614-F621 HydrophobicContact CG2-CD1 3.81Å; V614-F621 HydrophobicContact CG2-CD2 4.5Å; V614-F621 HydrophobicContact CG2-CE1 3.46Å; V614-F621 VanDerWaalsContact CG2-CE1 3.46Å; V614-F621 HydrophobicContact CG2-CE2 4.2Å; V614-F621 HydrophobicContact CG2-CG 4.32Å; V614-F621 HydrophobicContact CG2-CZ 3.67Å; V614-L641 HydrophobicContact CG1-CD1 4.44Å; V614-L641 HydrophobicContact CG2-CD1 4.08Å; V614-L839 HydrophobicContact CG2-CD2 3.89Å
615	I	96.3	Very high	94.5	Very high	46 Å²	46	23.1 Å²	23.1	24%	0.236	16%	0.156	C	C	.	.			trans	-98.4	-0.7	-176.1	62.3	165.9	0	0	0	112.8	P552 L555 S613 G838	P552-I615 HydrophobicContact CB-CG2 4.08Å; P552-I615 HydrophobicContact CG-CG2 4.03Å; L555-I615 WeakPolarHBondContact CD1-O 3.28Å; L555-I615 WeakPolarHBondContact CG-O 3.44Å; S613-I615 PolarHBondContact O-N 2.93Å; I615-G838 VanDerWaalsContact CG1-C 3.46Å; I615-G838 WeakPolarHBondContact CG1-O 3.42Å; I615-G838 PolarHBondContact N-O 3Å
616	Q	93.6	Very high	94.5	Very high	28 Å²	28	20.4 Å²	20.4	13%	0.131	14%	0.141	C	C	.	.	S	Bend	trans	-87	125.5	165.7	-173.3	-176.3	44	0	0	109.7	S556 N619 V755 D756 G838	S556-Q616 PolarHBondContact OG-O 3.29Å; Q616-N619 WeakPolarHBondContact CB-ND2 3.3Å; Q616-N619 WeakPolarHBondContact CG-ND2 3.47Å; Q616-N619 PolarHBondContact O-ND2 2.97Å; Q616-N619 PolarHBondContact OE1-ND2 3.21Å; Q616-V755 HydrophobicContact CB-CG1 4.49Å; Q616-V755 HydrophobicContact CG-CG1 4.35Å; Q616-D756 PolarHBondContact NE2-O 3.14Å; Q616-G838 PolarHBondContact N-O 3.27Å
617	A	91.4	Very high	94.3	Very high	65 Å²	65	21.8 Å²	21.8	54%	0.537	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	153.9	176.7	0	0	0	0	0	112.1	L555	L555-A617 HydrophobicContact CB-CB 4.24Å; L555-A617 HydrophobicContact CD1-CB 4.25Å
618	G	87.6	Confident	94.2	Very high	65 Å²	65	21.6 Å²	21.6	67%	0.67	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	12.9	172.7	0	0	0	0	0	115.6	S556	S556-G618 PolarHBondContact OG-N 3.01Å
619	N	89.6	Confident	94.3	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.059	15%	0.152	C	C	.	.			trans	-90	129.7	173.4	-80.1	-87.5	0	0	0	110.9	S556 V614 Q616 V758	S556-N619 WeakPolarHBondContact CB-O 3.48Å; S556-N619 PolarHBondContact OG-N 3.16Å; S556-N619 VanDerWaalsContact OG-N 3.09Å; V614-N619 HydrophobicContact CG1-CB 4Å; Q616-N619 WeakPolarHBondContact CB-ND2 3.3Å; Q616-N619 WeakPolarHBondContact CG-ND2 3.47Å; Q616-N619 PolarHBondContact O-ND2 2.97Å; Q616-N619 PolarHBondContact OE1-ND2 3.21Å; N619-V758 WeakPolarHBondContact OD1-CG2 3.38Å
620	S	91.3	Very high	94.4	Very high	35 Å²	35	21.2 Å²	21.2	25%	0.245	15%	0.151	C	C	.	.			trans	-100.4	107.6	167.2	176.5	0	0	0	0	109.3	R635 D636	S620-R635 PolarHBondContact O-N 2.75Å; S620-D636 WeakPolarHBondContact CB-OD2 3.32Å; S620-D636 PolarHBondContact N-OD2 3.11Å
621	F	94.1	Very high	94.5	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.2	177.1	80.3	-77	0	0	0	112.2	S556 E558 T559 V614 L623 Y633 L641	S556-F621 WeakPolarHBondContact O-CE1 3.49Å; E558-F621 HydrophobicContact CB-CE2 4.36Å; E558-F621 HydrophobicContact CB-CZ 4.26Å; T559-F621 PolarHBondContact N-O 2.67Å; T559-F621 PolarHBondContact OG1-O 2.95Å; V614-F621 HydrophobicContact CB-CD1 4.44Å; V614-F621 HydrophobicContact CB-CE1 3.97Å; V614-F621 HydrophobicContact CB-CZ 4.48Å; V614-F621 HydrophobicContact CG2-CD1 3.81Å; V614-F621 HydrophobicContact CG2-CD2 4.5Å; V614-F621 HydrophobicContact CG2-CE1 3.46Å; V614-F621 VanDerWaalsContact CG2-CE1 3.46Å; V614-F621 HydrophobicContact CG2-CE2 4.2Å; V614-F621 HydrophobicContact CG2-CG 4.32Å; V614-F621 HydrophobicContact CG2-CZ 3.67Å; F621-L623 HydrophobicContact CE2-CD2 4.21Å; F621-Y633 CarbonylContact C-O 3.55Å; F621-Y633 WeakPolarHBondContact CA-O 3.43Å; F621-Y633 VanDerWaalsContact CB-O 3.28Å; F621-Y633 WeakPolarHBondContact CB-O 3.29Å; F621-L641 HydrophobicContact CB-CD1 4.18Å; F621-L641 HydrophobicContact CG-CD1 4.44Å
622	C	93.8	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.8	175.8	65.1	0	0	0	0	111.4	T559 C561 G632 Y633	T559-C622 WeakPolarHBondContact O-CA 3.43Å; T559-C622 WeakPolarHBondContact O-CB 3.38Å; C561-C622 HydrophobicContact CB-CB 3.54Å; C561-C622 WeakPolarHBondContact CB-SG 3.39Å; C561-C622 WeakPolarHBondContact SG-CB 3.26Å; C561-C622 CovalentContact SG-SG 2.01Å; C561-C622 PolarHBondContact SG-SG 3.27Å; C622-G632 CarbonylContact O-C 3.5Å; C622-G632 WeakPolarHBondContact O-CA 3.19Å; C622-Y633 PolarHBondContact N-O 3.04Å; C622-Y633 PolarHBondContact O-N 3.34Å
623	L	94.9	Very high	94.5	Very high	17 Å²	17	16.8 Å²	16.8	9%	0.089	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.6	173.6	-61.1	-179.1	0	0	0	111	E558 I611 F621 S631 W642	E558-L623 VanDerWaalsContact CD-CG 3.47Å; E558-L623 HydrophobicContact CG-CG 4.08Å; E558-L623 VanDerWaalsContact OE1-CB 3.31Å; E558-L623 WeakPolarHBondContact OE1-CB 3.32Å; E558-L623 PolarHBondContact OE1-N 3.19Å; E558-L623 VanDerWaalsContact OE2-CD1 3.24Å; E558-L623 WeakPolarHBondContact OE2-CD1 3.21Å; I611-L623 HydrophobicContact CD1-CD1 3.84Å; I611-L623 HydrophobicContact CG1-CD1 4.45Å; I611-L623 HydrophobicContact CG2-CD1 4.33Å; I611-L623 HydrophobicContact CG2-CD2 4.14Å; F621-L623 HydrophobicContact CE2-CD2 4.21Å; L623-S631 WeakPolarHBondContact CA-O 3.37Å; L623-W642 HydrophobicContact CD2-CH2 4.04Å; L623-W642 HydrophobicContact CD2-CZ2 3.56Å
624	L	94.9	Very high	94.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.6	172.8	-56.5	179.4	0	0	0	109.3	C561 L630 S631 Y633 R667 V668	C561-L624 HydrophobicContact CB-CD2 3.75Å; L624-L630 WeakPolarHBondContact O-CA 3.44Å; L624-S631 PolarHBondContact N-O 3.02Å; L624-S631 PolarHBondContact O-N 3.33Å; L624-Y633 HydrophobicContact CD1-CD2 4.45Å; L624-Y633 HydrophobicContact CD1-CG 4.17Å; L624-R667 HydrophobicContact CD2-CB 4.21Å; L624-V668 HydrophobicContact CD1-CG2 4.21Å
625	H	94.3	Very high	94.1	Very high	14 Å²	14	19 Å²	19	7%	0.065	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.5	-177.6	-75.4	-113.7	0	0	0	110.9	R603 L630 R667	R603-H625 PolarHBondContact NE-CE1 3.49Å; R603-H625 PolarHBondContact NE-NE2 3.13Å; R603-H625 PolarHBondContact NH2-NE2 2.87Å; H625-L630 HydrophobicContact CB-CD2 3.96Å; H625-L630 WeakPolarHBondContact ND1-CD2 3.34Å; H625-R667 PolarHBondContact O-NH1 2.88Å; H625-R667 VanDerWaalsContact O-NH1 3.08Å
626	H	94.1	Very high	93.7	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.023	12%	0.121	C	C	.	.			trans	-133.6	164.2	171.8	-43.1	84.2	0	0	0	109	L602 D628 Y629 R667 I706	L602-H626 WeakPolarHBondContact CD1-O 3.31Å; H626-D628 VanDerWaalsContact C-N 3.31Å; H626-D628 PolarHBondContact O-N 2.84Å; H626-Y629 CarbonylContact C-O 3.4Å; H626-Y629 WeakPolarHBondContact CA-O 3.44Å; H626-Y629 HydrophobicContact CB-CD1 3.73Å; H626-Y629 HydrophobicContact CB-CE1 3.66Å; H626-Y629 HydrophobicContact CB-CG 4.27Å; H626-Y629 VanDerWaalsContact CB-O 3.26Å; H626-Y629 WeakPolarHBondContact CB-O 3.15Å; H626-Y629 AromaticContact CD2-CE1 3.94Å; H626-Y629 AromaticContact CD2-CZ 3.73Å; H626-Y629 AromaticContact CE1-CE2 3.33Å; H626-Y629 WeakPolarHBondContact CE1-CE2 3.18Å; H626-Y629 AromaticContact CE1-CZ 3.36Å; H626-Y629 PolarHBondContact CE1-OH 3.29Å; H626-Y629 AromaticContact CG-CD1 3.91Å; H626-Y629 AromaticContact CG-CE1 3.44Å; H626-Y629 VanDerWaalsContact CG-CE1 3.44Å; H626-Y629 AromaticContact CG-CE2 3.89Å; H626-Y629 AromaticContact CG-CZ 3.44Å; H626-Y629 VanDerWaalsContact CG-CZ 3.44Å; H626-Y629 PolarHBondContact N-O 2.8Å; H626-Y629 AromaticContact ND1-CD1 3.98Å; H626-Y629 AromaticContact ND1-CD2 3.52Å; H626-Y629 AromaticContact ND1-CE1 3.63Å; H626-Y629 AromaticContact ND1-CE2 3.17Å; H626-Y629 WeakPolarHBondContact ND1-CE2 3.44Å; H626-Y629 AromaticContact ND1-CG 3.93Å; H626-Y629 AromaticContact ND1-CZ 3.22Å; H626-Y629 PolarHBondContact ND1-O 2.69Å; H626-Y629 AromaticContact NE2-CZ 3.71Å; H626-Y629 PolarHBondContact NE2-OH 2.96Å; H626-R667 PolarHBondContact NE2-NH1 3Å; H626-R667 PolarHBondContact NE2-NH2 2.74Å; H626-I706 WeakPolarHBondContact NE2-CD1 3.29Å
627	A	93.4	Very high	93.6	Very high	33 Å²	33	17.3 Å²	17.3	27%	0.273	12%	0.118	S	C	.	.	S	Bend	trans	-64	-35.2	-178	0	0	0	0	0	113	L602 H606 T698	L602-A627 VanDerWaalsContact CD2-O 3.27Å; L602-A627 WeakPolarHBondContact CD2-O 2.98Å; H606-A627 PolarHBondContact NE2-O 2.96Å; A627-T698 WeakPolarHBondContact CB-OG1 3.18Å; A627-T698 PolarHBondContact O-OG1 3.25Å
628	D	95	Very high	93.6	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.053	9%	0.093	C	C	.	.	S	Bend	trans	-109.6	-8.1	-175.1	-61	-56.7	0	0	0	114.5	H606 H626 Y645 N696 I697 T698 G699	H606-D628 VanDerWaalsContact CE1-C 3.49Å; H606-D628 PolarHBondContact CE1-O 3.12Å; H606-D628 PolarHBondContact NE2-O 3.42Å; H626-D628 VanDerWaalsContact C-N 3.31Å; H626-D628 PolarHBondContact O-N 2.84Å; D628-Y645 WeakPolarHBondContact O-CB 3.47Å; D628-N696 VanDerWaalsContact OD2-CA 3.3Å; D628-N696 WeakPolarHBondContact OD2-CA 3.39Å; D628-N696 WeakPolarHBondContact OD2-CB 3.45Å; D628-N696 PolarHBondContact OD2-ND2 2.96Å; D628-I697 VanDerWaalsContact CG-N 3.33Å; D628-I697 PolarHBondContact OD1-N 3.34Å; D628-I697 VanDerWaalsContact OD1-N 3.14Å; D628-I697 PolarHBondContact OD2-N 2.91Å; D628-T698 PolarHBondContact OD1-N 3.43Å; D628-T698 PolarHBondContact OD1-OG1 2.88Å; D628-T698 PolarHBondContact OD2-N 2.95Å; D628-G699 VanDerWaalsContact OD2-CA 3.31Å; D628-G699 WeakPolarHBondContact OD2-CA 3.36Å; D628-G699 PolarHBondContact OD2-N 3.22Å
629	Y	97.4	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.			trans	-157.7	159.7	178.8	74.1	-81.4	0	0	0	113.4	H626 V643 S644 H691 D703 I706	H626-Y629 CarbonylContact C-O 3.4Å; H626-Y629 WeakPolarHBondContact CA-O 3.44Å; H626-Y629 HydrophobicContact CB-CD1 3.73Å; H626-Y629 HydrophobicContact CB-CE1 3.66Å; H626-Y629 HydrophobicContact CB-CG 4.27Å; H626-Y629 VanDerWaalsContact CB-O 3.26Å; H626-Y629 WeakPolarHBondContact CB-O 3.15Å; H626-Y629 AromaticContact CD2-CE1 3.94Å; H626-Y629 AromaticContact CD2-CZ 3.73Å; H626-Y629 AromaticContact CE1-CE2 3.33Å; H626-Y629 WeakPolarHBondContact CE1-CE2 3.18Å; H626-Y629 AromaticContact CE1-CZ 3.36Å; H626-Y629 PolarHBondContact CE1-OH 3.29Å; H626-Y629 AromaticContact CG-CD1 3.91Å; H626-Y629 AromaticContact CG-CE1 3.44Å; H626-Y629 VanDerWaalsContact CG-CE1 3.44Å; H626-Y629 AromaticContact CG-CE2 3.89Å; H626-Y629 AromaticContact CG-CZ 3.44Å; H626-Y629 VanDerWaalsContact CG-CZ 3.44Å; H626-Y629 PolarHBondContact N-O 2.8Å; H626-Y629 AromaticContact ND1-CD1 3.98Å; H626-Y629 AromaticContact ND1-CD2 3.52Å; H626-Y629 AromaticContact ND1-CE1 3.63Å; H626-Y629 AromaticContact ND1-CE2 3.17Å; H626-Y629 WeakPolarHBondContact ND1-CE2 3.44Å; H626-Y629 AromaticContact ND1-CG 3.93Å; H626-Y629 AromaticContact ND1-CZ 3.22Å; H626-Y629 PolarHBondContact ND1-O 2.69Å; H626-Y629 AromaticContact NE2-CZ 3.71Å; H626-Y629 PolarHBondContact NE2-OH 2.96Å; Y629-V643 HydrophobicContact CD2-CG1 3.82Å; Y629-V643 HydrophobicContact CG-CG1 4.45Å; Y629-S644 CarbonylContact C-O 3.58Å; Y629-S644 WeakPolarHBondContact CA-O 3.19Å; Y629-H691 HydrophobicContact CD1-CB 3.85Å; Y629-H691 AromaticContact CD1-CD2 3.95Å; Y629-H691 AromaticContact CD1-CE1 3.87Å; Y629-H691 AromaticContact CD1-CG 3.45Å; Y629-H691 VanDerWaalsContact CD1-CG 3.45Å; Y629-H691 AromaticContact CD1-ND1 3.4Å; Y629-H691 WeakPolarHBondContact CD1-ND1 3.29Å; Y629-H691 HydrophobicContact CD2-CB 3.89Å; Y629-H691 HydrophobicContact CE1-CB 4.14Å; Y629-H691 AromaticContact CE1-ND1 3.77Å; Y629-H691 HydrophobicContact CE2-CB 4.14Å; Y629-H691 HydrophobicContact CG-CB 3.71Å; Y629-H691 AromaticContact CG-CD2 3.92Å; Y629-H691 AromaticContact CG-CG 3.61Å; Y629-D703 PolarHBondContact OH-O 3.46Å; Y629-I706 WeakPolarHBondContact OH-CD1 3.4Å
630	L	97.6	Very high	94.3	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.016	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.7	170.4	-59.6	178.4	0	0	0	109.2	L602 R603 H606 H607 L624 H625 W642 V643 S644	L602-L630 HydrophobicContact CB-CD2 4.28Å; R603-L630 HydrophobicContact CB-CD1 4.5Å; R603-L630 HydrophobicContact CG-CD1 4.02Å; H606-L630 HydrophobicContact CB-CD1 3.99Å; H606-L630 HydrophobicContact CB-CG 3.94Å; H607-L630 WeakPolarHBondContact CE1-CD1 3.37Å; H607-L630 WeakPolarHBondContact ND1-CD1 3.49Å; L624-L630 WeakPolarHBondContact O-CA 3.44Å; H625-L630 HydrophobicContact CB-CD2 3.96Å; H625-L630 WeakPolarHBondContact ND1-CD2 3.34Å; L630-W642 HydrophobicContact CB-CH2 4.24Å; L630-W642 HydrophobicContact CB-CZ3 4.26Å; L630-W642 WeakPolarHBondContact O-CZ3 3.48Å; L630-V643 CarbonylContact O-C 3.5Å; L630-V643 WeakPolarHBondContact O-CA 3.35Å; L630-S644 PolarHBondContact N-O 3.31Å; L630-S644 PolarHBondContact O-N 3.42Å
631	S	97.8	Very high	94.6	Very high	1 Å²	1	10 Å²	10	1%	0.007	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.2	174.9	67	0	0	0	0	112.7	L623 L624 W642	L623-S631 WeakPolarHBondContact CA-O 3.37Å; L624-S631 PolarHBondContact N-O 3.02Å; L624-S631 PolarHBondContact O-N 3.33Å; S631-W642 WeakPolarHBondContact CA-O 3.39Å
632	G	97.4	Very high	94.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	92.9	168.9	0	0	0	0	0	109.7	C622 P640 L641 W642	C622-G632 CarbonylContact O-C 3.5Å; C622-G632 WeakPolarHBondContact O-CA 3.19Å; G632-P640 CarbonylContact O-C 3.18Å; G632-P640 WeakPolarHBondContact O-CA 3.42Å; G632-L641 PolarHBondContact O-N 3.23Å; G632-W642 PolarHBondContact N-O 3.5Å
633	Y	96.6	Very high	95	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.3	-174.7	-172.5	-92.7	0	0	0	111.9	F621 C622 L624 L638 P640 V668 S672 S708	F621-Y633 CarbonylContact C-O 3.55Å; F621-Y633 WeakPolarHBondContact CA-O 3.43Å; F621-Y633 VanDerWaalsContact CB-O 3.28Å; F621-Y633 WeakPolarHBondContact CB-O 3.29Å; C622-Y633 PolarHBondContact N-O 3.04Å; C622-Y633 PolarHBondContact O-N 3.34Å; L624-Y633 HydrophobicContact CD1-CD2 4.45Å; L624-Y633 HydrophobicContact CD1-CG 4.17Å; Y633-L638 WeakPolarHBondContact OH-CA 3.47Å; Y633-L638 PolarHBondContact OH-O 2.88Å; Y633-P640 HydrophobicContact CD2-CG 4.2Å; Y633-V668 HydrophobicContact CD1-CG1 4.18Å; Y633-V668 HydrophobicContact CD1-CG2 4.03Å; Y633-V668 HydrophobicContact CE1-CB 4.42Å; Y633-V668 HydrophobicContact CE1-CG1 3.47Å; Y633-V668 VanDerWaalsContact CE1-CG1 3.47Å; Y633-V668 HydrophobicContact CE1-CG2 4.03Å; Y633-V668 HydrophobicContact CG-CG2 4.45Å; Y633-S672 WeakPolarHBondContact CE1-O 3.35Å; Y633-S672 PolarHBondContact OH-O 2.99Å; Y633-S708 WeakPolarHBondContact CD2-O 3.34Å
634	S	94.1	Very high	95.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.5	175.7	174.1	0	0	0	0	111	D636 R637 L638 M639	S634-D636 VanDerWaalsContact C-N 3.28Å; S634-D636 PolarHBondContact OG-N 3.26Å; S634-R637 PolarHBondContact OG-N 3Å; S634-L638 WeakPolarHBondContact O-CA 3.47Å; S634-L638 PolarHBondContact O-N 3.17Å; S634-M639 WeakPolarHBondContact CB-O 3.28Å; S634-M639 PolarHBondContact N-O 3.4Å; S634-M639 PolarHBondContact O-N 2.94Å
635	R	90.3	Very high	95.3	Very high	62 Å²	62	9.1 Å²	9.1	23%	0.234	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.5	172.8	-62.9	-176.8	-177.6	168.5	-3.1	112.7	P560 C561 S620 L638	P560-R635 PolarHBondContact O-NH2 3.32Å; C561-R635 PolarHBondContact SG-NH2 2.87Å; S620-R635 PolarHBondContact O-N 2.75Å; R635-L638 WeakPolarHBondContact O-CD2 3.48Å
636	D	89.2	Confident	95.5	Very high	22 Å²	22	9 Å²	9	12%	0.118	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-37.3	179.2	-53.8	-68.4	0	0	0	111.6	S620 S634 V758	S620-D636 WeakPolarHBondContact CB-OD2 3.32Å; S620-D636 PolarHBondContact N-OD2 3.11Å; S634-D636 VanDerWaalsContact C-N 3.28Å; S634-D636 PolarHBondContact OG-N 3.26Å; D636-V758 HydrophobicContact CB-CG1 3.54Å
637	R	90.6	Very high	95.5	Very high	16 Å²	16	8.9 Å²	8.9	6%	0.06	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.7	179	-60	-169	178.9	-93.3	1.7	113.7	S634 M639 D756 T766	S634-R637 PolarHBondContact OG-N 3Å; R637-M639 HydrophobicContact CB-CG 4.24Å; R637-M639 PolarHBondContact O-N 3.23Å; R637-D756 PolarHBondContact NH2-O 3.4Å; R637-T766 PolarHBondContact O-OG1 2.77Å
638	L	92.7	Very high	95.4	Very high	5 Å²	5	11.7 Å²	11.7	3%	0.026	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	22	-177.9	-43.5	177.7	0	0	0	113.4	Y633 S634 R635 S672 Q674 N761	Y633-L638 WeakPolarHBondContact OH-CA 3.47Å; Y633-L638 PolarHBondContact OH-O 2.88Å; S634-L638 WeakPolarHBondContact O-CA 3.47Å; S634-L638 PolarHBondContact O-N 3.17Å; R635-L638 WeakPolarHBondContact O-CD2 3.48Å; L638-S672 VanDerWaalsContact CD2-CA 3.49Å; L638-Q674 HydrophobicContact CB-CG 3.92Å; L638-Q674 VanDerWaalsContact O-CG 3.29Å; L638-Q674 WeakPolarHBondContact O-CG 3.43Å; L638-Q674 PolarHBondContact O-NE2 2.75Å; L638-N761 HydrophobicContact CD1-CB 4.48Å
639	M	94.4	Very high	95.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	165.7	-179.4	71.1	179.8	77.7	0	0	110.7	S634 R637 L641 A711 P712 P745 F747 T766 A767 P769	S634-M639 WeakPolarHBondContact CB-O 3.28Å; S634-M639 PolarHBondContact N-O 3.4Å; S634-M639 PolarHBondContact O-N 2.94Å; R637-M639 HydrophobicContact CB-CG 4.24Å; R637-M639 PolarHBondContact O-N 3.23Å; M639-L641 PolarHBondContact O-N 2.78Å; M639-A711 HydrophobicContact SD-CB 4.23Å; M639-P712 VanDerWaalsContact CE-CD 3.46Å; M639-P712 HydrophobicContact CE-CG 4Å; M639-P745 HydrophobicContact CG-CG 4.22Å; M639-P745 HydrophobicContact SD-CB 3.93Å; M639-P745 HydrophobicContact SD-CG 3.67Å; M639-F747 HydrophobicContact CE-CZ 4.06Å; M639-F747 HydrophobicContact SD-CZ 3.96Å; M639-T766 HydrophobicContact CE-CG2 4.2Å; M639-T766 WeakPolarHBondContact CE-OG1 3.22Å; M639-A767 WeakPolarHBondContact CE-O 3.47Å; M639-P769 HydrophobicContact SD-CG 4.28Å
640	P	96.8	Very high	94.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	134.2	171.8	-23.8	35.4	0	0	0	112.8	G632 Y633 W642 V643 L690 S708 P745	G632-P640 CarbonylContact O-C 3.18Å; G632-P640 WeakPolarHBondContact O-CA 3.42Å; Y633-P640 HydrophobicContact CD2-CG 4.2Å; P640-W642 VanDerWaalsContact C-N 3.28Å; P640-V643 HydrophobicContact CB-CG2 3.79Å; P640-V643 HydrophobicContact CG-CG2 4Å; P640-L690 HydrophobicContact CB-CD1 3.77Å; P640-L690 HydrophobicContact CG-CD1 3.92Å; P640-S708 WeakPolarHBondContact CD-O 3.41Å; P640-S708 WeakPolarHBondContact CG-O 3.4Å; P640-P745 WeakPolarHBondContact O-CD 3.5Å; P640-P745 WeakPolarHBondContact O-CG 3.49Å
641	L	97.1	Very high	93.5	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.089	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-37.2	162.1	-62	179.5	0	0	0	110.2	V614 F621 G632 M639 L839	V614-L641 HydrophobicContact CG1-CD1 4.44Å; V614-L641 HydrophobicContact CG2-CD1 4.08Å; F621-L641 HydrophobicContact CB-CD1 4.18Å; F621-L641 HydrophobicContact CG-CD1 4.44Å; G632-L641 PolarHBondContact O-N 3.23Å; M639-L641 PolarHBondContact O-N 2.78Å; L641-L839 HydrophobicContact CB-CD2 4.48Å
642	W	98.5	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	154.4	175.4	61.6	-94	0	0	0	110.5	H607 I611 P612 L623 L630 S631 G632 P640 V742 S743 F773 L839	H607-W642 AromaticContact CE1-CH2 3.1Å; H607-W642 WeakPolarHBondContact CE1-CH2 3.41Å; H607-W642 AromaticContact CE1-CZ2 3.91Å; H607-W642 AromaticContact CE1-CZ3 3.63Å; H607-W642 AromaticContact NE2-CE3 3.97Å; H607-W642 AromaticContact NE2-CH2 2.94Å; H607-W642 WeakPolarHBondContact NE2-CH2 3.41Å; H607-W642 AromaticContact NE2-CZ2 3.92Å; H607-W642 AromaticContact NE2-CZ3 2.92Å; H607-W642 WeakPolarHBondContact NE2-CZ3 3.39Å; I611-W642 HydrophobicContact CG2-CZ2 4.1Å; P612-W642 HydrophobicContact CB-CD2 4.4Å; P612-W642 HydrophobicContact CB-CG 4.28Å; P612-W642 HydrophobicContact CG-CD2 3.76Å; P612-W642 HydrophobicContact CG-CE3 4.26Å; P612-W642 HydrophobicContact CG-CG 4Å; P612-W642 HydrophobicContact CG-CZ2 4.45Å; L623-W642 HydrophobicContact CD2-CH2 4.04Å; L623-W642 HydrophobicContact CD2-CZ2 3.56Å; L630-W642 HydrophobicContact CB-CH2 4.24Å; L630-W642 HydrophobicContact CB-CZ3 4.26Å; L630-W642 WeakPolarHBondContact O-CZ3 3.48Å; S631-W642 WeakPolarHBondContact CA-O 3.39Å; G632-W642 PolarHBondContact N-O 3.5Å; P640-W642 VanDerWaalsContact C-N 3.28Å; W642-V742 HydrophobicContact CB-CG1 4.09Å; W642-S743 CarbonylContact C-O 3.52Å; W642-S743 WeakPolarHBondContact CA-O 3.32Å; W642-F773 HydrophobicContact CB-CZ 4.11Å; W642-L839 HydrophobicContact CB-CD1 4.04Å; W642-L839 HydrophobicContact CG-CD1 4.27Å
643	V	98.6	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.6	168.4	171.4	0	0	0	0	107.9	Y629 L630 P640 Y645 L690 H691 V742 S743	Y629-V643 HydrophobicContact CD2-CG1 3.82Å; Y629-V643 HydrophobicContact CG-CG1 4.45Å; L630-V643 CarbonylContact O-C 3.5Å; L630-V643 WeakPolarHBondContact O-CA 3.35Å; P640-V643 HydrophobicContact CB-CG2 3.79Å; P640-V643 HydrophobicContact CG-CG2 4Å; V643-Y645 HydrophobicContact CG1-CD1 4.15Å; V643-L690 HydrophobicContact CB-CB 3.98Å; V643-L690 HydrophobicContact CG1-CB 4.5Å; V643-L690 HydrophobicContact CG2-CB 3.51Å; V643-L690 HydrophobicContact CG2-CD1 3.84Å; V643-L690 HydrophobicContact CG2-CG 4.35Å; V643-H691 HydrophobicContact CG1-CB 3.83Å; V643-V742 CarbonylContact O-C 3.57Å; V643-V742 VanDerWaalsContact O-CA 3.28Å; V643-V742 WeakPolarHBondContact O-CA 3.11Å; V643-S743 PolarHBondContact N-O 3.4Å; V643-S743 PolarHBondContact O-N 3.18Å
644	S	98.6	Very high	90.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.5	177.8	-166.9	0	0	0	0	112.8	H606 Y629 L630 N740 V741	H606-S644 PolarHBondContact O-OG 2.81Å; Y629-S644 CarbonylContact C-O 3.58Å; Y629-S644 WeakPolarHBondContact CA-O 3.19Å; L630-S644 PolarHBondContact N-O 3.31Å; L630-S644 PolarHBondContact O-N 3.42Å; S644-N740 PolarHBondContact OG-ND2 3.03Å; S644-V741 WeakPolarHBondContact CA-O 3.27Å; S644-V741 PolarHBondContact OG-O 2.98Å
645	Y	97.8	Very high	89.1	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	161	-179.8	55.4	-83.8	0	0	0	110	D628 V643 L647 H691 L695 H725 L729 N740 V741	D628-Y645 WeakPolarHBondContact O-CB 3.47Å; V643-Y645 HydrophobicContact CG1-CD1 4.15Å; Y645-L647 HydrophobicContact CD2-CD1 4.41Å; Y645-L647 HydrophobicContact CD2-CD2 4.01Å; Y645-L647 HydrophobicContact CD2-CG 3.98Å; Y645-L647 HydrophobicContact CE2-CD1 4.01Å; Y645-L647 HydrophobicContact CE2-CD2 4.32Å; Y645-L647 HydrophobicContact CE2-CG 4.09Å; Y645-H691 AromaticContact CD1-CD2 3.67Å; Y645-H691 AromaticContact CG-CD2 3.65Å; Y645-L695 HydrophobicContact CE2-CD1 3.77Å; Y645-H725 PolarHBondContact OH-CD2 2.93Å; Y645-H725 VanDerWaalsContact OH-CD2 3.26Å; Y645-H725 PolarHBondContact OH-NE2 3.26Å; Y645-H725 VanDerWaalsContact OH-NE2 3.11Å; Y645-L729 HydrophobicContact CE2-CD2 4.23Å; Y645-N740 PolarHBondContact O-ND2 3.17Å; Y645-V741 HydrophobicContact CD1-CB 4.31Å; Y645-V741 HydrophobicContact CD2-CB 4.18Å; Y645-V741 HydrophobicContact CD2-CG2 4.37Å; Y645-V741 HydrophobicContact CE1-CB 3.86Å; Y645-V741 HydrophobicContact CE1-CG1 3.88Å; Y645-V741 HydrophobicContact CE2-CB 3.7Å; Y645-V741 HydrophobicContact CE2-CG1 4.28Å; Y645-V741 HydrophobicContact CE2-CG2 3.72Å; Y645-V741 HydrophobicContact CG-CB 4.46Å; Y645-V741 PolarHBondContact N-O 3.01Å; Y645-V741 VanDerWaalsContact N-O 3.08Å; Y645-V741 PolarHBondContact O-N 2.99Å; Y645-V741 WeakPolarHBondContact OH-CG1 3.24Å
646	T	96.7	Very high	88.1	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.1	-176.6	-59.7	0	0	0	0	109.4	L605 H606 N740 V787	L605-T646 VanDerWaalsContact O-CB 3.3Å; L605-T646 WeakPolarHBondContact O-CB 2.96Å; L605-T646 PolarHBondContact O-OG1 2.91Å; H606-T646 PolarHBondContact ND1-N 3.22Å; T646-N740 PolarHBondContact OG1-ND2 3.34Å; T646-V787 HydrophobicContact CG2-CG2 3.69Å
647	L	94.3	Very high	86.6	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.1	-179	-58.9	176.7	0	0	0	109.5	Y645 L650 L695 L729 G738 V739	Y645-L647 HydrophobicContact CD2-CD1 4.41Å; Y645-L647 HydrophobicContact CD2-CD2 4.01Å; Y645-L647 HydrophobicContact CD2-CG 3.98Å; Y645-L647 HydrophobicContact CE2-CD1 4.01Å; Y645-L647 HydrophobicContact CE2-CD2 4.32Å; Y645-L647 HydrophobicContact CE2-CG 4.09Å; L647-L650 HydrophobicContact CD1-CD1 4.02Å; L647-L650 HydrophobicContact CD2-CD1 4.48Å; L647-L695 HydrophobicContact CD1-CD1 4.36Å; L647-L695 HydrophobicContact CD2-CB 4.36Å; L647-L729 HydrophobicContact CD1-CD1 4.24Å; L647-L729 HydrophobicContact CD1-CD2 3.63Å; L647-L729 HydrophobicContact CD1-CG 3.81Å; L647-G738 CarbonylContact O-C 3.53Å; L647-G738 WeakPolarHBondContact O-CA 3.34Å; L647-V739 HydrophobicContact CB-CG2 4.2Å; L647-V739 HydrophobicContact CD1-CG2 4.26Å; L647-V739 PolarHBondContact N-O 2.92Å; L647-V739 PolarHBondContact O-N 3.23Å
648	Q	91.3	Very high	85	Confident	92 Å²	92	50.1 Å²	50.1	43%	0.43	29%	0.285	S	S	.	.			trans	-73.1	164.4	157.5	-65.8	-61.8	-33.3	0	0	109.2	L650	Q648-L650 PolarHBondContact O-N 3Å
649	P	89.8	Confident	83.3	Confident	51 Å²	51	59.1 Å²	59.1	33%	0.331	32%	0.32	S	S	.	.			trans	-51.4	112.6	175.5	-27.7	35.6	0	0	0	111.6	S733 N737	P649-S733 WeakPolarHBondContact CA-O 3.45Å; P649-N737 WeakPolarHBondContact CG-OD1 3.37Å
650	L	82.2	Confident	81.9	Confident	25 Å²	25	63.7 Å²	63.7	13%	0.131	34%	0.341	C	S	.	.			trans	-80.8	130.6	-176.9	-67.1	174.8	0	0	0	109.6	L647 Q648 L695 L730 S733 Q734	L647-L650 HydrophobicContact CD1-CD1 4.02Å; L647-L650 HydrophobicContact CD2-CD1 4.48Å; Q648-L650 PolarHBondContact O-N 3Å; L650-L695 HydrophobicContact CD1-CD2 3.94Å; L650-L730 HydrophobicContact CB-CD1 3.43Å; L650-L730 VanDerWaalsContact CB-CD1 3.43Å; L650-L730 HydrophobicContact CD1-CD1 4.48Å; L650-L730 VanDerWaalsContact O-CD1 3.27Å; L650-L730 WeakPolarHBondContact O-CD1 3.21Å; L650-S733 PolarHBondContact N-OG 2.98Å; L650-Q734 WeakPolarHBondContact O-CG 3.17Å; L650-Q734 PolarHBondContact O-NE2 2.97Å
651	S	78.1	Confident	81.1	Confident	117 Å²	117	64.4 Å²	64.4	82%	0.818	35%	0.346	S	S	*	.	S	Bend	trans	-80.2	-35.7	175.1	-45.3	0	0	0	0	112.6
652	R	78.9	Confident	80.7	Confident	206 Å²	206	64 Å²	64	78%	0.777	34%	0.344	S	S	*	.			trans	-158.7	154.8	176	63.3	-178.5	-179.2	-177.3	0.4	109.7
653	V	74.6	Confident	80.2	Confident	31 Å²	31	64.3 Å²	64.3	19%	0.188	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-89.2	124.9	170.3	-178.1	0	0	0	0	108.9	Y694 T726 L730	V653-Y694 HydrophobicContact CG1-CD2 3.45Å; V653-Y694 VanDerWaalsContact CG1-CD2 3.45Å; V653-Y694 HydrophobicContact CG1-CE2 4.15Å; V653-Y694 HydrophobicContact CG1-CG 3.97Å; V653-T726 HydrophobicContact CG1-CG2 4.38Å; V653-T726 WeakPolarHBondContact CG2-O 3.2Å; V653-L730 HydrophobicContact CG2-CB 4.35Å; V653-L730 HydrophobicContact CG2-CD1 4.39Å; V653-L730 HydrophobicContact CG2-CD2 4.3Å
654	P	72.3	Confident	79.8	Confident	71 Å²	71	64.6 Å²	64.6	46%	0.461	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.5	135.2	175	-19.7	30.9	0	0	0	111.9	Y694	P654-Y694 WeakPolarHBondContact CD-O 3.29Å; P654-Y694 WeakPolarHBondContact O-CB 3.39Å
655	T	68.8	Low	79.5	Confident	143 Å²	143	64.8 Å²	64.8	88%	0.877	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-78.9	119.3	169.2	50.1	0	0	0	0	109.7
656	L	68.1	Low	79	Confident	71 Å²	71	65 Å²	65	37%	0.372	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-90.9	149.2	172.1	-68.5	172.6	0	0	0	110.9	P693 Y694 V701	L656-P693 HydrophobicContact CD1-CB 3.71Å; L656-P693 HydrophobicContact CD1-CG 3.73Å; L656-Y694 HydrophobicContact CD1-CD1 4.36Å; L656-V701 HydrophobicContact CD2-CG1 4.14Å
657	S	58.6	Low	78.8	Confident	87 Å²	87	65.3 Å²	65.3	61%	0.608	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-63.7	140.6	170.9	178.1	0	0	0	0	110	Y659	S657-Y659 PolarHBondContact O-N 3.36Å
658	P	57.6	Low	78.6	Confident	120 Å²	120	65.5 Å²	65.5	78%	0.779	35%	0.351	S	S	*	.	S	Bend	trans	-67.8	8.6	-173.3	26.2	-35	0	0	0	115.8	E660	P658-E660 PolarHBondContact O-N 3.39Å
659	Y	55.4	Low	78.4	Confident	194 Å²	194	63.9 Å²	63.9	76%	0.761	35%	0.349	S	S	*	.			trans	-84.4	87	174.8	-83.1	-89.1	0	0	0	110.4	S657 C661	S657-Y659 PolarHBondContact O-N 3.36Å; Y659-C661 PolarHBondContact O-N 2.78Å
660	E	66.1	Low	78.1	Confident	95 Å²	95	63.3 Å²	63.3	44%	0.444	35%	0.345	S	S	.	.			trans	-80.1	98.6	172.6	-61.9	-169.3	155	0	0	109.4	P658 F705 K718	P658-E660 PolarHBondContact O-N 3.39Å; E660-F705 HydrophobicContact CB-CE1 3.93Å; E660-F705 HydrophobicContact CG-CE1 3.95Å; E660-F705 HydrophobicContact CG-CZ 4.38Å; E660-K718 IonicContact OE2-NZ 2.97Å; E660-K718 PolarHBondContact OE2-NZ 2.84Å; E660-K718 VanDerWaalsContact OE2-NZ 3.15Å
661	C	80.3	Confident	78.3	Confident	16 Å²	16	66.1 Å²	66.1	11%	0.108	37%	0.367	C	S	.	.			trans	-93.7	127.8	169.8	129.3	0	0	0	0	108.1	C576 Y659 F705	C576-C661 HydrophobicContact CB-CB 3.78Å; C576-C661 WeakPolarHBondContact CB-SG 3.28Å; C576-C661 WeakPolarHBondContact SG-CB 3.37Å; C576-C661 CovalentContact SG-SG 2Å; C576-C661 PolarHBondContact SG-SG 3.04Å; Y659-C661 PolarHBondContact O-N 2.78Å; C661-F705 WeakPolarHBondContact O-CB 3.25Å; C661-F705 VanDerWaalsContact O-CD1 3.31Å; C661-F705 WeakPolarHBondContact O-CD1 3.39Å; C661-F705 WeakPolarHBondContact O-CG 3.23Å
662	I	87.8	Confident	78.7	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.046	34%	0.336	C	S	.	.			trans	-107.5	138.5	171.7	-63.5	-68.3	0	0	0	108.1	C574 C676 Y687 L689 F705 M710	C574-I662 VanDerWaalsContact CB-O 3.3Å; C574-I662 WeakPolarHBondContact CB-O 3.33Å; I662-C676 VanDerWaalsContact CG2-SG 3.58Å; I662-Y687 HydrophobicContact CD1-CD2 4.45Å; I662-Y687 HydrophobicContact CD1-CE2 3.66Å; I662-Y687 HydrophobicContact CG1-CE1 4.41Å; I662-Y687 HydrophobicContact CG1-CE2 3.66Å; I662-Y687 WeakPolarHBondContact CG1-OH 3.41Å; I662-L689 HydrophobicContact CD1-CD2 4Å; I662-F705 HydrophobicContact CD1-CB 4.46Å; I662-F705 HydrophobicContact CD1-CD1 3.9Å; I662-M710 HydrophobicContact CG1-SD 4.49Å; I662-M710 HydrophobicContact CG2-SD 3.62Å
663	R	89.1	Confident	79.1	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.019	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-116.4	153.3	169.8	74.8	-173.3	174.5	-69.7	2.1	111.5	D665 S702 D703 F705 I706 S707	R663-D665 PolarHBondContact O-N 3Å; R663-S702 VanDerWaalsContact CZ-O 3.23Å; R663-S702 PolarHBondContact NH1-O 2.77Å; R663-S702 PolarHBondContact NH2-O 3.33Å; R663-D703 IonicContact NH2-OD1 3.08Å; R663-F705 PolarHBondContact N-O 3.31Å; R663-F705 VanDerWaalsContact N-O 3.15Å; R663-F705 PolarHBondContact NH1-O 3.01Å; R663-I706 HydrophobicContact CG-CG2 3.94Å; R663-I706 VanDerWaalsContact NH2-CG2 3.3Å; R663-I706 CarbonylContact O-C 3.46Å; R663-I706 WeakPolarHBondContact O-CA 3.37Å; R663-S707 PolarHBondContact O-N 3.41Å
664	A	89.9	Confident	79.8	Confident	7 Å²	7	50.3 Å²	50.3	6%	0.058	29%	0.29	C	S	.	.			trans	-64.5	133.9	171.6	0	0	0	0	0	110.4	P568 L572 F666	P568-A664 HydrophobicContact CB-CB 3.98Å; P568-A664 HydrophobicContact CG-CB 4Å; L572-A664 HydrophobicContact CD1-CB 3.8Å; L572-A664 HydrophobicContact CG-CB 4.16Å; A664-F666 PolarHBondContact O-N 3.33Å
665	D	90.9	Very high	80.5	Confident	4 Å²	4	49 Å²	49	2%	0.021	28%	0.279	C	S	.	.			trans	-75.4	112.1	172.3	-172.1	-15.1	0	0	0	110.6	R663 R667 V668 I706 S707 S708	R663-D665 PolarHBondContact O-N 3Å; D665-R667 PolarHBondContact O-N 3.46Å; D665-R667 VanDerWaalsContact O-N 3.12Å; D665-R667 WeakPolarHBondContact OD1-CB 3.27Å; D665-R667 IonicContact OD1-CZ 2.96Å; D665-R667 PolarHBondContact OD1-N 3.23Å; D665-R667 IonicContact OD1-NE 2.98Å; D665-R667 PolarHBondContact OD1-NE 2.97Å; D665-R667 IonicContact OD1-NH2 3.49Å; D665-R667 IonicContact OD2-CZ 3.2Å; D665-R667 IonicContact OD2-NE 3.33Å; D665-R667 PolarHBondContact OD2-NE 2.75Å; D665-R667 IonicContact OD2-NH2 3.07Å; D665-R667 PolarHBondContact OD2-NH2 3.26Å; D665-V668 HydrophobicContact CB-CG2 4.4Å; D665-V668 PolarHBondContact O-N 2.92Å; D665-V668 VanDerWaalsContact O-N 3.11Å; D665-I706 HydrophobicContact CB-CB 4.4Å; D665-S707 PolarHBondContact N-OG 3.04Å; D665-S707 VanDerWaalsContact N-OG 3.16Å; D665-S708 WeakPolarHBondContact OD2-CB 3.32Å; D665-S708 PolarHBondContact OD2-OG 3.2Å
666	F	89.1	Confident	81.3	Confident	7 Å²	7	43.1 Å²	43.1	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	-179.2	75	-81.1	0	0	0	113.9	S563 P568 N588 I591 L592 A664 V668	S563-F666 WeakPolarHBondContact CB-O 3.38Å; S563-F666 PolarHBondContact OG-O 3.11Å; P568-F666 HydrophobicContact CG-CB 4.13Å; N588-F666 HydrophobicContact CB-CD1 3.54Å; N588-F666 HydrophobicContact CB-CE1 3.6Å; N588-F666 HydrophobicContact CB-CG 4.12Å; N588-F666 HydrophobicContact CB-CZ 4.24Å; N588-F666 WeakPolarHBondContact OD1-CD1 3.28Å; I591-F666 HydrophobicContact CB-CE1 4.27Å; I591-F666 HydrophobicContact CB-CZ 4.37Å; I591-F666 HydrophobicContact CD1-CE1 4.46Å; I591-F666 HydrophobicContact CG2-CE1 4.21Å; I591-F666 HydrophobicContact CG2-CZ 4.17Å; L592-F666 HydrophobicContact CD1-CD2 4.29Å; L592-F666 HydrophobicContact CD1-CE2 3.39Å; L592-F666 HydrophobicContact CD1-CZ 3.94Å; L592-F666 HydrophobicContact CD2-CE2 3.95Å; L592-F666 HydrophobicContact CD2-CZ 4.3Å; L592-F666 HydrophobicContact CG-CE2 3.46Å; L592-F666 VanDerWaalsContact CG-CE2 3.46Å; L592-F666 HydrophobicContact CG-CZ 3.6Å; A664-F666 PolarHBondContact O-N 3.33Å; F666-V668 VanDerWaalsContact C-N 3.32Å
667	R	91.1	Very high	82	Confident	17 Å²	17	43.2 Å²	43.2	6%	0.064	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.2	179.4	-61.2	170.3	-65.8	-177.9	5.4	112.8	L624 H625 H626 D665	L624-R667 HydrophobicContact CD2-CB 4.21Å; H625-R667 PolarHBondContact O-NH1 2.88Å; H625-R667 VanDerWaalsContact O-NH1 3.08Å; H626-R667 PolarHBondContact NE2-NH1 3Å; H626-R667 PolarHBondContact NE2-NH2 2.74Å; D665-R667 PolarHBondContact O-N 3.46Å; D665-R667 VanDerWaalsContact O-N 3.12Å; D665-R667 WeakPolarHBondContact OD1-CB 3.27Å; D665-R667 IonicContact OD1-CZ 2.96Å; D665-R667 PolarHBondContact OD1-N 3.23Å; D665-R667 IonicContact OD1-NE 2.98Å; D665-R667 PolarHBondContact OD1-NE 2.97Å; D665-R667 IonicContact OD1-NH2 3.49Å; D665-R667 IonicContact OD2-CZ 3.2Å; D665-R667 IonicContact OD2-NE 3.33Å; D665-R667 PolarHBondContact OD2-NE 2.75Å; D665-R667 IonicContact OD2-NH2 3.07Å; D665-R667 PolarHBondContact OD2-NH2 3.26Å
668	V	90	Very high	83.1	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.042	23%	0.232	C	C	.	.	S	Bend	trans	-106.3	124	-176.8	-178.7	0	0	0	0	108.8	L624 Y633 D665 F666 S672 N673	L624-V668 HydrophobicContact CD1-CG2 4.21Å; Y633-V668 HydrophobicContact CD1-CG1 4.18Å; Y633-V668 HydrophobicContact CD1-CG2 4.03Å; Y633-V668 HydrophobicContact CE1-CB 4.42Å; Y633-V668 HydrophobicContact CE1-CG1 3.47Å; Y633-V668 VanDerWaalsContact CE1-CG1 3.47Å; Y633-V668 HydrophobicContact CE1-CG2 4.03Å; Y633-V668 HydrophobicContact CG-CG2 4.45Å; D665-V668 HydrophobicContact CB-CG2 4.4Å; D665-V668 PolarHBondContact O-N 2.92Å; D665-V668 VanDerWaalsContact O-N 3.11Å; F666-V668 VanDerWaalsContact C-N 3.32Å; V668-S672 VanDerWaalsContact CG1-O 3.26Å; V668-S672 WeakPolarHBondContact CG1-O 3.45Å; V668-N673 HydrophobicContact CG1-CB 4.08Å
669	P	87.4	Confident	84.4	Confident	59 Å²	59	37.9 Å²	37.9	38%	0.383	20%	0.199	S	C	.	.			trans	-56.1	143.8	176.5	-24.3	33.5	0	0	0	111.9	S671 S672 N673	P669-S671 PolarHBondContact O-N 2.78Å; P669-S672 CarbonylContact O-C 3.56Å; P669-S672 WeakPolarHBondContact O-CA 3.49Å; P669-S672 PolarHBondContact O-N 3.33Å; P669-N673 PolarHBondContact O-N 2.84Å
670	S	84.6	Confident	85.3	Confident	38 Å²	38	35.2 Å²	35.2	27%	0.266	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58.1	-33.3	-179.2	56.4	0	0	0	0	113.2	S672 N673 N764	S670-S672 PolarHBondContact O-N 3.22Å; S670-N673 PolarHBondContact O-N 3.29Å; S670-N764 PolarHBondContact O-ND2 3.06Å
671	S	85.1	Confident	85.3	Confident	84 Å²	84	35.4 Å²	35.4	59%	0.587	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-67.2	-15.5	175	61	0	0	0	0	114.4	P669	P669-S671 PolarHBondContact O-N 2.78Å
672	S	87.2	Confident	84.3	Confident	22 Å²	22	44.7 Å²	44.7	15%	0.154	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-119.5	28.5	-178	-60.7	0	0	0	0	111.1	Y633 L638 V668 P669 S670	Y633-S672 WeakPolarHBondContact CE1-O 3.35Å; Y633-S672 PolarHBondContact OH-O 2.99Å; L638-S672 VanDerWaalsContact CD2-CA 3.49Å; V668-S672 VanDerWaalsContact CG1-O 3.26Å; V668-S672 WeakPolarHBondContact CG1-O 3.45Å; P669-S672 CarbonylContact O-C 3.56Å; P669-S672 WeakPolarHBondContact O-CA 3.49Å; P669-S672 PolarHBondContact O-N 3.33Å; S670-S672 PolarHBondContact O-N 3.22Å
673	N	87.7	Confident	83.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.248	C	C	.	.	S	Bend	trans	-133.9	156.6	-175.2	-150.1	-28.4	0	0	0	110.9	L572 V668 P669 S670 S707 N764	L572-N673 HydrophobicContact CD1-CB 3.5Å; L572-N673 WeakPolarHBondContact CD1-ND2 3.27Å; L572-N673 HydrophobicContact CD2-CB 4.48Å; V668-N673 HydrophobicContact CG1-CB 4.08Å; P669-N673 PolarHBondContact O-N 2.84Å; S670-N673 PolarHBondContact O-N 3.29Å; N673-S707 PolarHBondContact ND2-OG 3.31Å; N673-S707 VanDerWaalsContact OD1-CB 3.26Å; N673-S707 WeakPolarHBondContact OD1-CB 3.46Å; N673-S707 PolarHBondContact OD1-OG 2.87Å; N673-N764 WeakPolarHBondContact O-CB 3.28Å; N673-N764 PolarHBondContact O-ND2 3.02Å
674	Q	88.3	Confident	83.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.			trans	-82.2	147.8	-179.9	-65.6	173.3	49	0	0	111.3	L638 Y679 M710 T766	L638-Q674 HydrophobicContact CB-CG 3.92Å; L638-Q674 VanDerWaalsContact O-CG 3.29Å; L638-Q674 WeakPolarHBondContact O-CG 3.43Å; L638-Q674 PolarHBondContact O-NE2 2.75Å; Q674-Y679 PolarHBondContact OE1-OH 3.39Å; Q674-M710 PolarHBondContact NE2-O 3.43Å; Q674-M710 VanDerWaalsContact NE2-O 3.09Å; Q674-T766 HydrophobicContact CG-CG2 4.07Å
675	L	87	Confident	83	Confident	44 Å²	44	51.6 Å²	51.6	23%	0.23	29%	0.287	C	S	.	.			trans	-83.1	124.4	170.9	-66.3	171.1	0	0	0	110.4	L572 L677 L678 N764	L572-L675 HydrophobicContact CB-CD2 4.26Å; L572-L675 HydrophobicContact CD2-CD2 4.09Å; L675-L677 PolarHBondContact O-N 2.67Å; L675-L678 HydrophobicContact CB-CD1 4.19Å; L675-L678 HydrophobicContact CB-CG 4.08Å; L675-L678 WeakPolarHBondContact O-CB 3.29Å; L675-L678 PolarHBondContact O-N 3.15Å; L675-N764 HydrophobicContact CD1-CB 3.83Å; L675-N764 HydrophobicContact CD2-CB 4.36Å; L675-N764 HydrophobicContact CG-CB 3.57Å
676	C	85.6	Confident	83.1	Confident	18 Å²	18	52.7 Å²	52.7	12%	0.122	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-65.1	-25.6	175.9	-73.3	0	0	0	0	112.7	L572 C574 I662 L678 Y679	L572-C676 PolarHBondContact O-N 3.22Å; C574-C676 HydrophobicContact CB-CB 3.75Å; C574-C676 WeakPolarHBondContact CB-SG 3.41Å; C574-C676 WeakPolarHBondContact SG-CB 3.22Å; C574-C676 CovalentContact SG-SG 2.03Å; C574-C676 PolarHBondContact SG-SG 3.03Å; I662-C676 VanDerWaalsContact CG2-SG 3.58Å; C676-L678 PolarHBondContact O-N 3.02Å; C676-Y679 PolarHBondContact O-N 3.24Å
677	L	84.1	Confident	83.1	Confident	74 Å²	74	53.8 Å²	53.8	39%	0.387	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-57.2	-30.1	177.1	-175.2	66.2	0	0	0	112.6	H573 L675 Y679 R680	H573-L677 HydrophobicContact CB-CB 3.91Å; L675-L677 PolarHBondContact O-N 2.67Å; L677-Y679 PolarHBondContact O-N 3.48Å; L677-R680 PolarHBondContact O-N 2.68Å
678	L	81.6	Confident	83.2	Confident	68 Å²	68	53 Å²	53	36%	0.356	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15.3	-179.6	-64.9	173.3	0	0	0	113.6	L675 C676	L675-L678 HydrophobicContact CB-CD1 4.19Å; L675-L678 HydrophobicContact CB-CG 4.08Å; L675-L678 WeakPolarHBondContact O-CB 3.29Å; L675-L678 PolarHBondContact O-N 3.15Å; C676-L678 PolarHBondContact O-N 3.02Å
679	Y	84.3	Confident	83.4	Confident	26 Å²	26	53.4 Å²	53.4	10%	0.102	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-120.7	5.5	-170.9	-51.6	-64.4	0	0	0	114.7	Q674 C676 L677 T686 Y687 M710 P712	Q674-Y679 PolarHBondContact OE1-OH 3.39Å; C676-Y679 PolarHBondContact O-N 3.24Å; L677-Y679 PolarHBondContact O-N 3.48Å; Y679-T686 VanDerWaalsContact CD1-O 3.31Å; Y679-T686 WeakPolarHBondContact CD1-O 3.4Å; Y679-T686 WeakPolarHBondContact CE1-O 3.3Å; Y679-Y687 HydrophobicContact CD2-CD1 4.11Å; Y679-Y687 HydrophobicContact CD2-CG 4.47Å; Y679-Y687 HydrophobicContact CG-CD1 4.02Å; Y679-M710 HydrophobicContact CD2-CE 3.52Å; Y679-M710 HydrophobicContact CE2-CE 3.51Å; Y679-P712 HydrophobicContact CE1-CB 4.35Å
680	R	74.7	Confident	83.9	Confident	139 Å²	139	50.6 Å²	50.6	53%	0.525	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-32.9	-168.2	-160.6	-177.8	69.4	-167.1	-3.1	114.6	L677	L677-R680 PolarHBondContact O-N 2.68Å
681	D	65.4	Low	84.4	Confident	99 Å²	99	48.9 Å²	48.9	53%	0.529	27%	0.267	S	S	.	.	S	Bend	trans	-124.9	106.1	-166.1	-55.5	-30	0	0	0	110.5	A683	D681-A683 PolarHBondContact O-N 3.41Å
682	E	60.3	Low	84.8	Confident	211 Å²	211	45 Å²	45	99%	0.986	24%	0.24	S	C	*	.	S	Bend	trans	29.1	38.4	177.7	-70.7	-170.3	-175.9	0	0	116.6
683	A	65.2	Low	84.9	Confident	42 Å²	42	44.3 Å²	44.3	35%	0.347	24%	0.235	S	C	.	.			trans	-77.7	141.6	-179.4	0	0	0	0	0	109.3	D681 L685	D681-A683 PolarHBondContact O-N 3.41Å; A683-L685 VanDerWaalsContact CB-O 3.27Å; A683-L685 WeakPolarHBondContact CB-O 3.18Å; A683-L685 PolarHBondContact O-N 3.34Å
684	A	84.8	Confident	84.9	Confident	84 Å²	84	46 Å²	46	69%	0.694	24%	0.242	S	C	*	.	S	Bend	trans	-55.7	-15.1	172.1	0	0	0	0	0	113	F714	A684-F714 WeakPolarHBondContact O-CD1 3.4Å
685	L	89.6	Confident	85	Confident	39 Å²	39	46.2 Å²	46.2	20%	0.204	24%	0.243	C	C	.	.			trans	-126.5	141	177.6	-71.7	159.9	0	0	0	110.4	A683 F714 V768	A683-L685 VanDerWaalsContact CB-O 3.27Å; A683-L685 WeakPolarHBondContact CB-O 3.18Å; A683-L685 PolarHBondContact O-N 3.34Å; L685-F714 HydrophobicContact CD2-CD1 3.58Å; L685-F714 HydrophobicContact CD2-CD2 4.44Å; L685-F714 HydrophobicContact CD2-CE1 3.59Å; L685-F714 HydrophobicContact CD2-CE2 4.44Å; L685-F714 HydrophobicContact CD2-CG 4.01Å; L685-F714 HydrophobicContact CD2-CZ 4.04Å; L685-F714 HydrophobicContact CG-CD1 4.31Å; L685-F714 HydrophobicContact CG-CE1 4.13Å; L685-V768 HydrophobicContact CD1-CG1 4.31Å; L685-V768 HydrophobicContact CD1-CG2 3.44Å; L685-V768 VanDerWaalsContact CD1-CG2 3.44Å; L685-V768 HydrophobicContact CD2-CG1 4.01Å
686	T	91.5	Very high	84.9	Confident	27 Å²	27	45.1 Å²	45.1	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-166.7	165	-172.8	0	0	0	0	109	Y679 M713 P715 K718	Y679-T686 VanDerWaalsContact CD1-O 3.31Å; Y679-T686 WeakPolarHBondContact CD1-O 3.4Å; Y679-T686 WeakPolarHBondContact CE1-O 3.3Å; T686-M713 CarbonylContact C-O 3.6Å; T686-M713 WeakPolarHBondContact CG2-O 3.4Å; T686-M713 PolarHBondContact N-O 3.44Å; T686-M713 PolarHBondContact O-N 2.67Å; T686-M713 VanDerWaalsContact O-O 3.12Å; T686-P715 HydrophobicContact CG2-CG 4.29Å; T686-K718 HydrophobicContact CG2-CB 4.26Å; T686-K718 HydrophobicContact CG2-CD 3.72Å
687	Y	90.4	Very high	84.8	Confident	31 Å²	31	49.4 Å²	49.4	12%	0.122	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	168.5	68.1	-88.6	0	0	0	110.8	I662 Y679 L689 M710 A711 K718	I662-Y687 HydrophobicContact CD1-CD2 4.45Å; I662-Y687 HydrophobicContact CD1-CE2 3.66Å; I662-Y687 HydrophobicContact CG1-CE1 4.41Å; I662-Y687 HydrophobicContact CG1-CE2 3.66Å; I662-Y687 WeakPolarHBondContact CG1-OH 3.41Å; Y679-Y687 HydrophobicContact CD2-CD1 4.11Å; Y679-Y687 HydrophobicContact CD2-CG 4.47Å; Y679-Y687 HydrophobicContact CG-CD1 4.02Å; Y687-L689 HydrophobicContact CD2-CD2 4.34Å; Y687-L689 HydrophobicContact CE2-CD2 4.44Å; Y687-M710 VanDerWaalsContact CB-CE 3.49Å; Y687-M710 HydrophobicContact CD1-CE 3.84Å; Y687-M710 HydrophobicContact CD2-CE 3.95Å; Y687-M710 HydrophobicContact CD2-CG 4.07Å; Y687-M710 HydrophobicContact CG-CE 3.48Å; Y687-M710 VanDerWaalsContact CG-CE 3.48Å; Y687-M710 HydrophobicContact CG-CG 4.47Å; Y687-A711 WeakPolarHBondContact CA-O 3.22Å; Y687-K718 WeakPolarHBondContact O-CD 3.31Å; Y687-K718 WeakPolarHBondContact O-CE 3.04Å; Y687-K718 PolarHBondContact O-NZ 3.23Å; Y687-K718 VanDerWaalsContact O-NZ 3.1Å
688	G	92.5	Very high	84.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.2	163.8	0	0	0	0	0	111.3	M710 A711	G688-M710 WeakPolarHBondContact O-CA 3.35Å; G688-A711 PolarHBondContact N-O 2.89Å; G688-A711 PolarHBondContact O-N 2.73Å
689	L	94.8	Very high	84.8	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.6	174.5	-61.7	177.9	0	0	0	109.4	I662 Y687 P693 F705 N709 M710 W721	I662-L689 HydrophobicContact CD1-CD2 4Å; Y687-L689 HydrophobicContact CD2-CD2 4.34Å; Y687-L689 HydrophobicContact CE2-CD2 4.44Å; L689-P693 HydrophobicContact CD1-CG 4.21Å; L689-F705 HydrophobicContact CD1-CD1 3.93Å; L689-F705 HydrophobicContact CD1-CE1 4.04Å; L689-N709 WeakPolarHBondContact CA-O 3.44Å; L689-N709 HydrophobicContact CD2-CB 4.48Å; L689-M710 HydrophobicContact CD2-CG 3.94Å; L689-W721 PolarHBondContact O-NE1 2.98Å
690	L	97	Very high	85	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-74.5	-38	-177.9	-70.5	-179.4	0	0	0	112.3	P640 V643 P692 N709 A711 M713 W721 F772	P640-L690 HydrophobicContact CB-CD1 3.77Å; P640-L690 HydrophobicContact CG-CD1 3.92Å; V643-L690 HydrophobicContact CB-CB 3.98Å; V643-L690 HydrophobicContact CG1-CB 4.5Å; V643-L690 HydrophobicContact CG2-CB 3.51Å; V643-L690 HydrophobicContact CG2-CD1 3.84Å; V643-L690 HydrophobicContact CG2-CG 4.35Å; L690-P692 WeakPolarHBondContact O-CD 3.21Å; L690-N709 PolarHBondContact N-O 2.87Å; L690-N709 VanDerWaalsContact N-O 3.1Å; L690-N709 PolarHBondContact N-OD1 3.18Å; L690-A711 HydrophobicContact CD2-CB 4.38Å; L690-A711 HydrophobicContact CG-CB 4.33Å; L690-M713 HydrophobicContact CD2-CE 4.26Å; L690-W721 HydrophobicContact CD2-CH2 4.18Å; L690-W721 HydrophobicContact CD2-CZ2 3.88Å; L690-F772 HydrophobicContact CD2-CD1 4.09Å; L690-F772 HydrophobicContact CD2-CE1 4.01Å
691	H	96.3	Very high	85.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.27	C	S	.	.	S	Bend	trans	-97.4	112.4	159.3	-178.6	-96.3	0	0	0	109.7	Y629 V643 Y645 S704 N709	Y629-H691 HydrophobicContact CD1-CB 3.85Å; Y629-H691 AromaticContact CD1-CD2 3.95Å; Y629-H691 AromaticContact CD1-CE1 3.87Å; Y629-H691 AromaticContact CD1-CG 3.45Å; Y629-H691 VanDerWaalsContact CD1-CG 3.45Å; Y629-H691 AromaticContact CD1-ND1 3.4Å; Y629-H691 WeakPolarHBondContact CD1-ND1 3.29Å; Y629-H691 HydrophobicContact CD2-CB 3.89Å; Y629-H691 HydrophobicContact CE1-CB 4.14Å; Y629-H691 AromaticContact CE1-ND1 3.77Å; Y629-H691 HydrophobicContact CE2-CB 4.14Å; Y629-H691 HydrophobicContact CG-CB 3.71Å; Y629-H691 AromaticContact CG-CD2 3.92Å; Y629-H691 AromaticContact CG-CG 3.61Å; V643-H691 HydrophobicContact CG1-CB 3.83Å; Y645-H691 AromaticContact CD1-CD2 3.67Å; Y645-H691 AromaticContact CG-CD2 3.65Å; H691-S704 PolarHBondContact CE1-OG 2.91Å; H691-S704 PolarHBondContact ND1-OG 2.77Å; H691-N709 PolarHBondContact N-OD1 3.16Å; H691-N709 PolarHBondContact O-ND2 2.91Å
692	P	92.5	Very high	86.6	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.026	25%	0.247	C	C	.	.			trans	-70.8	137.3	178.4	-15.9	26.5	0	0	0	113.4	L690 Y694 L695 H725	L690-P692 WeakPolarHBondContact O-CD 3.21Å; P692-Y694 VanDerWaalsContact C-N 3.28Å; P692-Y694 HydrophobicContact CB-CD1 4.2Å; P692-Y694 HydrophobicContact CB-CD2 4.05Å; P692-Y694 HydrophobicContact CB-CE1 3.66Å; P692-Y694 HydrophobicContact CB-CE2 3.51Å; P692-Y694 HydrophobicContact CB-CG 4.38Å; P692-Y694 HydrophobicContact CG-CE2 4.15Å; P692-Y694 PolarHBondContact O-N 3.04Å; P692-L695 HydrophobicContact CB-CD1 4.38Å; P692-L695 HydrophobicContact CB-CG 4.3Å; P692-L695 HydrophobicContact CG-CD1 3.97Å; P692-L695 HydrophobicContact CG-CG 4.42Å; P692-L695 WeakPolarHBondContact O-CB 3.46Å; P692-L695 PolarHBondContact O-N 3.49Å; P692-H725 HydrophobicContact CG-CB 3.93Å; P692-H725 VanDerWaalsContact CG-CD2 3.44Å; P692-H725 WeakPolarHBondContact CG-CD2 3.36Å
693	P	90.1	Very high	88	Confident	7 Å²	7	32.6 Å²	32.6	5%	0.045	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.9	-175.9	23.5	-33.6	0	0	0	114.3	L656 L689 L695 N696 V701 F705	L656-P693 HydrophobicContact CD1-CB 3.71Å; L656-P693 HydrophobicContact CD1-CG 3.73Å; L689-P693 HydrophobicContact CD1-CG 4.21Å; P693-L695 PolarHBondContact O-N 3.06Å; P693-N696 WeakPolarHBondContact CA-OD1 3.43Å; P693-N696 WeakPolarHBondContact O-CB 3.49Å; P693-N696 PolarHBondContact O-N 2.97Å; P693-N696 PolarHBondContact O-OD1 3.16Å; P693-N696 VanDerWaalsContact O-OD1 3.04Å; P693-V701 HydrophobicContact CB-CB 4.47Å; P693-F705 HydrophobicContact CB-CD2 4.04Å; P693-F705 HydrophobicContact CB-CE2 3.54Å; P693-F705 HydrophobicContact CB-CZ 3.85Å; P693-F705 HydrophobicContact CG-CE1 4.01Å; P693-F705 HydrophobicContact CG-CE2 3.79Å; P693-F705 HydrophobicContact CG-CZ 3.5Å
694	Y	87.1	Confident	89.3	Confident	36 Å²	36	30.6 Å²	30.6	14%	0.141	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-75.5	-4.2	177.3	47.3	-101.4	0	0	0	113.3	V653 P654 L656 P692 H725 T726	V653-Y694 HydrophobicContact CG1-CD2 3.45Å; V653-Y694 VanDerWaalsContact CG1-CD2 3.45Å; V653-Y694 HydrophobicContact CG1-CE2 4.15Å; V653-Y694 HydrophobicContact CG1-CG 3.97Å; P654-Y694 WeakPolarHBondContact CD-O 3.29Å; P654-Y694 WeakPolarHBondContact O-CB 3.39Å; L656-Y694 HydrophobicContact CD1-CD1 4.36Å; P692-Y694 VanDerWaalsContact C-N 3.28Å; P692-Y694 HydrophobicContact CB-CD1 4.2Å; P692-Y694 HydrophobicContact CB-CD2 4.05Å; P692-Y694 HydrophobicContact CB-CE1 3.66Å; P692-Y694 HydrophobicContact CB-CE2 3.51Å; P692-Y694 HydrophobicContact CB-CG 4.38Å; P692-Y694 HydrophobicContact CG-CE2 4.15Å; P692-Y694 PolarHBondContact O-N 3.04Å; Y694-H725 HydrophobicContact CE2-CB 3.89Å; Y694-H725 WeakPolarHBondContact OH-CB 3.41Å; Y694-T726 HydrophobicContact CD2-CG2 4.47Å; Y694-T726 HydrophobicContact CE1-CG2 4.26Å; Y694-T726 HydrophobicContact CE2-CG2 3.82Å
695	L	89.5	Confident	89.6	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.026	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-96.4	-0.2	172.7	-60.2	-175.8	0	0	0	113.1	Y645 L647 L650 P692 P693 I697 L729	Y645-L695 HydrophobicContact CE2-CD1 3.77Å; L647-L695 HydrophobicContact CD1-CD1 4.36Å; L647-L695 HydrophobicContact CD2-CB 4.36Å; L650-L695 HydrophobicContact CD1-CD2 3.94Å; P692-L695 HydrophobicContact CB-CD1 4.38Å; P692-L695 HydrophobicContact CB-CG 4.3Å; P692-L695 HydrophobicContact CG-CD1 3.97Å; P692-L695 HydrophobicContact CG-CG 4.42Å; P692-L695 WeakPolarHBondContact O-CB 3.46Å; P692-L695 PolarHBondContact O-N 3.49Å; P693-L695 PolarHBondContact O-N 3.06Å; L695-I697 PolarHBondContact O-N 2.99Å; L695-L729 HydrophobicContact CD1-CD2 4.02Å
696	N	85.5	Confident	89.7	Confident	21 Å²	21	25.9 Å²	25.9	11%	0.112	15%	0.149	C	C	.	.			trans	-63.1	129.3	171.7	-77.6	86.8	0	0	0	110.8	D628 P693 S700 V701 S704	D628-N696 VanDerWaalsContact OD2-CA 3.3Å; D628-N696 WeakPolarHBondContact OD2-CA 3.39Å; D628-N696 WeakPolarHBondContact OD2-CB 3.45Å; D628-N696 PolarHBondContact OD2-ND2 2.96Å; P693-N696 WeakPolarHBondContact CA-OD1 3.43Å; P693-N696 WeakPolarHBondContact O-CB 3.49Å; P693-N696 PolarHBondContact O-N 2.97Å; P693-N696 PolarHBondContact O-OD1 3.16Å; P693-N696 VanDerWaalsContact O-OD1 3.04Å; N696-S700 PolarHBondContact ND2-O 3.2Å; N696-S700 VanDerWaalsContact ND2-O 3.13Å; N696-V701 HydrophobicContact CB-CG1 4.29Å; N696-S704 PolarHBondContact OD1-OG 3.15Å
697	I	84.1	Confident	89.8	Confident	107 Å²	107	24.6 Å²	24.6	55%	0.549	14%	0.141	S	C	.	.	S	Bend	trans	-116.4	-46.8	-178.6	-62.2	170	0	0	0	109.9	D628 L695	D628-I697 VanDerWaalsContact CG-N 3.33Å; D628-I697 PolarHBondContact OD1-N 3.34Å; D628-I697 VanDerWaalsContact OD1-N 3.14Å; D628-I697 PolarHBondContact OD2-N 2.91Å; L695-I697 PolarHBondContact O-N 2.99Å
698	T	83.8	Confident	89.9	Confident	103 Å²	103	23.1 Å²	23.1	63%	0.632	14%	0.136	S	C	*	.	S	Bend	trans	-107.2	-36.2	-174	60.5	0	0	0	0	112.5	A627 D628	A627-T698 WeakPolarHBondContact CB-OG1 3.18Å; A627-T698 PolarHBondContact O-OG1 3.25Å; D628-T698 PolarHBondContact OD1-N 3.43Å; D628-T698 PolarHBondContact OD1-OG1 2.88Å; D628-T698 PolarHBondContact OD2-N 2.95Å
699	G	82.6	Confident	90.1	Very high	21 Å²	21	23.1 Å²	23.1	22%	0.216	14%	0.135	C	C	.	.	S	Bend	trans	-86.6	173.9	179.3	0	0	0	0	0	113.2	D628	D628-G699 VanDerWaalsContact OD2-CA 3.31Å; D628-G699 WeakPolarHBondContact OD2-CA 3.36Å; D628-G699 PolarHBondContact OD2-N 3.22Å
700	S	86.7	Confident	90.1	Very high	57 Å²	57	22.4 Å²	22.4	40%	0.399	13%	0.131	S	C	.	.			trans	-73.3	142.3	172.8	178.3	0	0	0	0	109.7	N696 S702 D703	N696-S700 PolarHBondContact ND2-O 3.2Å; N696-S700 VanDerWaalsContact ND2-O 3.13Å; S700-S702 WeakPolarHBondContact CB-OG 3.34Å; S700-S702 PolarHBondContact O-N 3.17Å; S700-S702 VanDerWaalsContact O-N 3.07Å; S700-S702 PolarHBondContact OG-N 3.33Å; S700-S702 PolarHBondContact OG-OG 2.91Å; S700-D703 PolarHBondContact N-OD2 2.65Å; S700-D703 VanDerWaalsContact O-CB 3.29Å; S700-D703 WeakPolarHBondContact O-CB 3.36Å; S700-D703 PolarHBondContact O-N 3.36Å
701	V	87.1	Confident	90	Very high	62 Å²	62	22.4 Å²	22.4	38%	0.376	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-55.2	-27.6	170.3	-61.4	0	0	0	0	111.9	L656 P693 N696 D703 S704 F705	L656-V701 HydrophobicContact CD2-CG1 4.14Å; P693-V701 HydrophobicContact CB-CB 4.47Å; N696-V701 HydrophobicContact CB-CG1 4.29Å; V701-D703 PolarHBondContact O-N 2.95Å; V701-S704 PolarHBondContact O-N 3.15Å; V701-F705 VanDerWaalsContact O-CD2 3.24Å; V701-F705 WeakPolarHBondContact O-CD2 3.5Å
702	S	87.1	Confident	89.9	Confident	6 Å²	6	22.5 Å²	22.5	4%	0.042	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.7	174.1	61.9	0	0	0	0	112.2	M587 R663 S700 S704 F705	M587-S702 PolarHBondContact SD-OG 3.08Å; R663-S702 VanDerWaalsContact CZ-O 3.23Å; R663-S702 PolarHBondContact NH1-O 2.77Å; R663-S702 PolarHBondContact NH2-O 3.33Å; S700-S702 WeakPolarHBondContact CB-OG 3.34Å; S700-S702 PolarHBondContact O-N 3.17Å; S700-S702 VanDerWaalsContact O-N 3.07Å; S700-S702 PolarHBondContact OG-N 3.33Å; S700-S702 PolarHBondContact OG-OG 2.91Å; S702-S704 PolarHBondContact O-N 2.8Å; S702-F705 PolarHBondContact O-N 2.75Å
703	D	90.6	Very high	90	Very high	15 Å²	15	22.3 Å²	22.3	8%	0.08	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-64.6	-17.4	-179.3	-61.4	-22.9	0	0	0	113.3	Y629 R663 S700 V701 I706	Y629-D703 PolarHBondContact OH-O 3.46Å; R663-D703 IonicContact NH2-OD1 3.08Å; S700-D703 PolarHBondContact N-OD2 2.65Å; S700-D703 VanDerWaalsContact O-CB 3.29Å; S700-D703 WeakPolarHBondContact O-CB 3.36Å; S700-D703 PolarHBondContact O-N 3.36Å; V701-D703 PolarHBondContact O-N 2.95Å; D703-I706 WeakPolarHBondContact O-CD1 3.19Å
704	S	92.6	Very high	90.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-92.5	-21.2	173.3	-61.3	0	0	0	0	113	H691 N696 V701 S702 I706 N709	H691-S704 PolarHBondContact CE1-OG 2.91Å; H691-S704 PolarHBondContact ND1-OG 2.77Å; N696-S704 PolarHBondContact OD1-OG 3.15Å; V701-S704 PolarHBondContact O-N 3.15Å; S702-S704 PolarHBondContact O-N 2.8Å; S704-I706 VanDerWaalsContact C-N 3.25Å; S704-I706 PolarHBondContact O-N 3.07Å; S704-I706 VanDerWaalsContact O-N 3.13Å; S704-N709 PolarHBondContact O-ND2 3.2Å
705	F	91.3	Very high	90.5	Very high	23 Å²	23	25.2 Å²	25.2	10%	0.101	15%	0.15	C	C	.	.	S	Bend	trans	-87.4	53.3	-180	-79.3	-60.1	0	0	0	112.2	E660 C661 I662 R663 L689 P693 V701 S702	E660-F705 HydrophobicContact CB-CE1 3.93Å; E660-F705 HydrophobicContact CG-CE1 3.95Å; E660-F705 HydrophobicContact CG-CZ 4.38Å; C661-F705 WeakPolarHBondContact O-CB 3.25Å; C661-F705 VanDerWaalsContact O-CD1 3.31Å; C661-F705 WeakPolarHBondContact O-CD1 3.39Å; C661-F705 WeakPolarHBondContact O-CG 3.23Å; I662-F705 HydrophobicContact CD1-CB 4.46Å; I662-F705 HydrophobicContact CD1-CD1 3.9Å; R663-F705 PolarHBondContact N-O 3.31Å; R663-F705 VanDerWaalsContact N-O 3.15Å; R663-F705 PolarHBondContact NH1-O 3.01Å; L689-F705 HydrophobicContact CD1-CD1 3.93Å; L689-F705 HydrophobicContact CD1-CE1 4.04Å; P693-F705 HydrophobicContact CB-CD2 4.04Å; P693-F705 HydrophobicContact CB-CE2 3.54Å; P693-F705 HydrophobicContact CB-CZ 3.85Å; P693-F705 HydrophobicContact CG-CE1 4.01Å; P693-F705 HydrophobicContact CG-CE2 3.79Å; P693-F705 HydrophobicContact CG-CZ 3.5Å; V701-F705 VanDerWaalsContact O-CD2 3.24Å; V701-F705 WeakPolarHBondContact O-CD2 3.5Å; S702-F705 PolarHBondContact O-N 2.75Å
706	I	91.8	Very high	90.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-127.4	149.5	-179.2	58.3	178.4	0	0	0	111.1	H626 Y629 R663 D665 D703 S704 S708 N709	H626-I706 WeakPolarHBondContact NE2-CD1 3.29Å; Y629-I706 WeakPolarHBondContact OH-CD1 3.4Å; R663-I706 HydrophobicContact CG-CG2 3.94Å; R663-I706 VanDerWaalsContact NH2-CG2 3.3Å; R663-I706 CarbonylContact O-C 3.46Å; R663-I706 WeakPolarHBondContact O-CA 3.37Å; D665-I706 HydrophobicContact CB-CB 4.4Å; D703-I706 WeakPolarHBondContact O-CD1 3.19Å; S704-I706 VanDerWaalsContact C-N 3.25Å; S704-I706 PolarHBondContact O-N 3.07Å; S704-I706 VanDerWaalsContact O-N 3.13Å; I706-S708 WeakPolarHBondContact CD1-OG 3.24Å; I706-S708 PolarHBondContact O-N 3.24Å; I706-N709 HydrophobicContact CG1-CB 4.02Å; I706-N709 PolarHBondContact O-N 2.56Å
707	S	91.9	Very high	91.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.6	-176.3	69.9	0	0	0	0	114	R663 D665 N673 N709 M710	R663-S707 PolarHBondContact O-N 3.41Å; D665-S707 PolarHBondContact N-OG 3.04Å; D665-S707 VanDerWaalsContact N-OG 3.16Å; N673-S707 PolarHBondContact ND2-OG 3.31Å; N673-S707 VanDerWaalsContact OD1-CB 3.26Å; N673-S707 WeakPolarHBondContact OD1-CB 3.46Å; N673-S707 PolarHBondContact OD1-OG 2.87Å; S707-N709 PolarHBondContact O-N 3.49Å; S707-M710 WeakPolarHBondContact O-CB 3.29Å; S707-M710 PolarHBondContact O-N 3.16Å
708	S	94	Very high	91.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-74.8	-4.4	177.3	64	0	0	0	0	114.6	Y633 P640 D665 I706	Y633-S708 WeakPolarHBondContact CD2-O 3.34Å; P640-S708 WeakPolarHBondContact CD-O 3.41Å; P640-S708 WeakPolarHBondContact CG-O 3.4Å; D665-S708 WeakPolarHBondContact OD2-CB 3.32Å; D665-S708 PolarHBondContact OD2-OG 3.2Å; I706-S708 WeakPolarHBondContact CD1-OG 3.24Å; I706-S708 PolarHBondContact O-N 3.24Å
709	N	95.9	Very high	92.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-106.7	2.3	174.7	-173	37.4	0	0	0	112.4	L689 L690 H691 S704 I706 S707	L689-N709 WeakPolarHBondContact CA-O 3.44Å; L689-N709 HydrophobicContact CD2-CB 4.48Å; L690-N709 PolarHBondContact N-O 2.87Å; L690-N709 VanDerWaalsContact N-O 3.1Å; L690-N709 PolarHBondContact N-OD1 3.18Å; H691-N709 PolarHBondContact N-OD1 3.16Å; H691-N709 PolarHBondContact O-ND2 2.91Å; S704-N709 PolarHBondContact O-ND2 3.2Å; I706-N709 HydrophobicContact CG1-CB 4.02Å; I706-N709 PolarHBondContact O-N 2.56Å; S707-N709 PolarHBondContact O-N 3.49Å
710	M	94.1	Very high	92.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144	-178.4	-66	168.6	66.7	0	0	112.6	I662 Q674 Y679 Y687 G688 L689 S707	I662-M710 HydrophobicContact CG1-SD 4.49Å; I662-M710 HydrophobicContact CG2-SD 3.62Å; Q674-M710 PolarHBondContact NE2-O 3.43Å; Q674-M710 VanDerWaalsContact NE2-O 3.09Å; Y679-M710 HydrophobicContact CD2-CE 3.52Å; Y679-M710 HydrophobicContact CE2-CE 3.51Å; Y687-M710 VanDerWaalsContact CB-CE 3.49Å; Y687-M710 HydrophobicContact CD1-CE 3.84Å; Y687-M710 HydrophobicContact CD2-CE 3.95Å; Y687-M710 HydrophobicContact CD2-CG 4.07Å; Y687-M710 HydrophobicContact CG-CE 3.48Å; Y687-M710 VanDerWaalsContact CG-CE 3.48Å; Y687-M710 HydrophobicContact CG-CG 4.47Å; G688-M710 WeakPolarHBondContact O-CA 3.35Å; L689-M710 HydrophobicContact CD2-CG 3.94Å; S707-M710 WeakPolarHBondContact O-CB 3.29Å; S707-M710 PolarHBondContact O-N 3.16Å
711	A	95	Very high	93.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.5	163.8	0	0	0	0	0	110.4	M639 Y687 G688 L690 M713 F772	M639-A711 HydrophobicContact SD-CB 4.23Å; Y687-A711 WeakPolarHBondContact CA-O 3.22Å; G688-A711 PolarHBondContact N-O 2.89Å; G688-A711 PolarHBondContact O-N 2.73Å; L690-A711 HydrophobicContact CD2-CB 4.38Å; L690-A711 HydrophobicContact CG-CB 4.33Å; A711-M713 PolarHBondContact O-N 2.88Å; A711-F772 HydrophobicContact CB-CE1 3.77Å; A711-F772 HydrophobicContact CB-CZ 3.97Å
712	P	94.5	Very high	93.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.019	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	126.2	174.9	-17.1	27.7	0	0	0	110.5	M639 Y679 T766 F772 H802	M639-P712 VanDerWaalsContact CE-CD 3.46Å; M639-P712 HydrophobicContact CE-CG 4Å; Y679-P712 HydrophobicContact CE1-CB 4.35Å; P712-T766 HydrophobicContact CG-CG2 3.38Å; P712-F772 WeakPolarHBondContact O-CZ 3.43Å; P712-H802 PolarHBondContact O-CE1 2.84Å
713	M	95.2	Very high	93.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.6	176.6	-70.9	-170.6	-175	0	0	111.4	T686 L690 A711 F717 K718 W721 F772 H802	T686-M713 CarbonylContact C-O 3.6Å; T686-M713 WeakPolarHBondContact CG2-O 3.4Å; T686-M713 PolarHBondContact N-O 3.44Å; T686-M713 PolarHBondContact O-N 2.67Å; T686-M713 VanDerWaalsContact O-O 3.12Å; L690-M713 HydrophobicContact CD2-CE 4.26Å; A711-M713 PolarHBondContact O-N 2.88Å; M713-F717 HydrophobicContact CE-CE1 4.34Å; M713-F717 HydrophobicContact CG-CD1 4.18Å; M713-F717 HydrophobicContact SD-CD1 3.93Å; M713-F717 HydrophobicContact SD-CE1 4.16Å; M713-K718 HydrophobicContact CB-CB 4.36Å; M713-W721 HydrophobicContact CE-CD2 3.85Å; M713-W721 HydrophobicContact CE-CE3 4.32Å; M713-W721 HydrophobicContact CE-CG 4.04Å; M713-W721 HydrophobicContact CE-CZ2 4.39Å; M713-W721 HydrophobicContact SD-CB 4.22Å; M713-W721 HydrophobicContact SD-CD2 4.44Å; M713-W721 HydrophobicContact SD-CG 4.04Å; M713-F772 HydrophobicContact CE-CD1 4Å; M713-F772 HydrophobicContact CE-CD2 4.46Å; M713-F772 HydrophobicContact CE-CE1 3.59Å; M713-F772 HydrophobicContact CE-CE2 4.09Å; M713-F772 HydrophobicContact CE-CG 4.41Å; M713-F772 HydrophobicContact CE-CZ 3.63Å; M713-F772 HydrophobicContact CG-CE2 3.92Å; M713-F772 HydrophobicContact CG-CZ 3.77Å; M713-H802 VanDerWaalsContact CA-NE2 3.26Å; M713-H802 WeakPolarHBondContact CA-NE2 3.25Å
714	F	95.1	Very high	93.9	Very high	39 Å²	39	18 Å²	18	17%	0.171	10%	0.095	C	C	.	.			trans	-63.9	143.2	165.2	-69.6	-64.5	0	0	0	109.6	A684 L685 A716 F717 K718 V768 H802 K803 P804	A684-F714 WeakPolarHBondContact O-CD1 3.4Å; L685-F714 HydrophobicContact CD2-CD1 3.58Å; L685-F714 HydrophobicContact CD2-CD2 4.44Å; L685-F714 HydrophobicContact CD2-CE1 3.59Å; L685-F714 HydrophobicContact CD2-CE2 4.44Å; L685-F714 HydrophobicContact CD2-CG 4.01Å; L685-F714 HydrophobicContact CD2-CZ 4.04Å; L685-F714 HydrophobicContact CG-CD1 4.31Å; L685-F714 HydrophobicContact CG-CE1 4.13Å; F714-A716 VanDerWaalsContact C-N 3.32Å; F714-A716 PolarHBondContact O-N 2.67Å; F714-F717 HydrophobicContact CB-CB 4.2Å; F714-F717 PolarHBondContact O-N 3.05Å; F714-K718 PolarHBondContact O-N 3.32Å; F714-V768 HydrophobicContact CE2-CG1 4.5Å; F714-V768 HydrophobicContact CZ-CG1 4.48Å; F714-H802 AromaticContact CD2-CD2 3.51Å; F714-H802 AromaticContact CD2-CE1 3.61Å; F714-H802 AromaticContact CD2-CG 3.94Å; F714-H802 AromaticContact CD2-ND1 3.99Å; F714-H802 AromaticContact CD2-NE2 3.26Å; F714-H802 VanDerWaalsContact CD2-NE2 3.26Å; F714-H802 WeakPolarHBondContact CD2-NE2 3.49Å; F714-H802 AromaticContact CE2-CE1 3.86Å; F714-H802 AromaticContact CE2-ND1 3.99Å; F714-H802 AromaticContact CE2-NE2 3.98Å; F714-H802 WeakPolarHBondContact CE2-O 3.49Å; F714-H802 AromaticContact CG-NE2 3.81Å; F714-H802 PolarHBondContact N-NE2 3.46Å; F714-K803 WeakPolarHBondContact CB-O 3.18Å; F714-K803 WeakPolarHBondContact CD2-O 3.49Å; F714-P804 HydrophobicContact CD1-CB 3.75Å; F714-P804 HydrophobicContact CD2-CB 4.41Å; F714-P804 HydrophobicContact CE1-CB 4Å; F714-P804 HydrophobicContact CG-CB 3.99Å; F714-P804 HydrophobicContact CZ-CB 4.45Å
715	P	93.1	Very high	94	Very high	65 Å²	65	18 Å²	18	42%	0.422	10%	0.095	S	C	.	.	H	α-helix	trans	-52	-47.1	179	-29.2	36.1	0	0	0	113.5	T686 F717 K718 E719	T686-P715 HydrophobicContact CG2-CG 4.29Å; P715-F717 VanDerWaalsContact C-N 3.34Å; P715-F717 PolarHBondContact O-N 3.11Å; P715-K718 WeakPolarHBondContact O-CB 3.34Å; P715-K718 PolarHBondContact O-N 3.49Å; P715-K718 VanDerWaalsContact O-N 3.13Å; P715-E719 PolarHBondContact O-N 2.81Å
716	A	92.5	Very high	94	Very high	13 Å²	13	19.2 Å²	19.2	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-43.6	176.6	0	0	0	0	0	112.3	F714 K718 E719 V720 P804 Y806	F714-A716 VanDerWaalsContact C-N 3.32Å; F714-A716 PolarHBondContact O-N 2.67Å; A716-K718 PolarHBondContact O-N 2.81Å; A716-E719 PolarHBondContact O-N 2.84Å; A716-V720 PolarHBondContact O-N 2.8Å; A716-P804 WeakPolarHBondContact CB-O 3.48Å; A716-Y806 WeakPolarHBondContact CA-OH 3.23Å; A716-Y806 HydrophobicContact CB-CD1 4.3Å; A716-Y806 HydrophobicContact CB-CE1 3.68Å; A716-Y806 HydrophobicContact CB-CE2 4.31Å; A716-Y806 WeakPolarHBondContact O-CE1 3.46Å; A716-Y806 PolarHBondContact O-OH 3.34Å; A716-Y806 VanDerWaalsContact O-OH 3.04Å
717	F	95.1	Very high	94	Very high	5 Å²	5	21 Å²	21	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-35.6	176.5	-171	-91.7	0	0	0	112.7	M713 F714 P715 E719 V720 W721 F772 M800 P801 H802 W822	M713-F717 HydrophobicContact CE-CE1 4.34Å; M713-F717 HydrophobicContact CG-CD1 4.18Å; M713-F717 HydrophobicContact SD-CD1 3.93Å; M713-F717 HydrophobicContact SD-CE1 4.16Å; F714-F717 HydrophobicContact CB-CB 4.2Å; F714-F717 PolarHBondContact O-N 3.05Å; P715-F717 VanDerWaalsContact C-N 3.34Å; P715-F717 PolarHBondContact O-N 3.11Å; F717-E719 VanDerWaalsContact C-N 3.25Å; F717-E719 PolarHBondContact O-N 3.16Å; F717-V720 PolarHBondContact O-N 3.47Å; F717-W721 HydrophobicContact CD1-CB 4.49Å; F717-W721 HydrophobicContact CE1-CB 4.34Å; F717-W721 HydrophobicContact CE1-CE3 4.02Å; F717-W721 HydrophobicContact CZ-CE3 4.35Å; F717-W721 WeakPolarHBondContact O-CB 3.44Å; F717-W721 PolarHBondContact O-N 2.95Å; F717-F772 HydrophobicContact CD1-CD2 4.15Å; F717-F772 HydrophobicContact CD1-CE2 4.32Å; F717-F772 HydrophobicContact CE1-CB 4.24Å; F717-F772 AromaticContact CE1-CD2 3.38Å; F717-F772 HydrophobicContact CE1-CD2 3.38Å; F717-F772 AromaticContact CE1-CE2 3.94Å; F717-F772 HydrophobicContact CE1-CE2 3.94Å; F717-F772 AromaticContact CE1-CG 3.97Å; F717-F772 HydrophobicContact CE1-CG 3.97Å; F717-F772 HydrophobicContact CZ-CB 3.97Å; F717-F772 AromaticContact CZ-CD2 3.68Å; F717-F772 HydrophobicContact CZ-CD2 3.68Å; F717-F772 HydrophobicContact CZ-CG 4.15Å; F717-M800 HydrophobicContact CE2-CB 3.88Å; F717-M800 HydrophobicContact CZ-CB 3.9Å; F717-P801 WeakPolarHBondContact CD2-O 3.29Å; F717-P801 WeakPolarHBondContact CE2-O 3.49Å; F717-H802 AromaticContact CD1-CD2 3.76Å; F717-H802 AromaticContact CG-CD2 3.59Å; F717-W822 HydrophobicContact CE2-CH2 4.02Å
718	K	94.5	Very high	94.1	Very high	41 Å²	41	21.8 Å²	21.8	18%	0.178	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-36	176.2	-177.5	178.1	177.5	170.5	0	111.3	E660 T686 Y687 M713 F714 P715 A716 S722	E660-K718 IonicContact OE2-NZ 2.97Å; E660-K718 PolarHBondContact OE2-NZ 2.84Å; E660-K718 VanDerWaalsContact OE2-NZ 3.15Å; T686-K718 HydrophobicContact CG2-CB 4.26Å; T686-K718 HydrophobicContact CG2-CD 3.72Å; Y687-K718 WeakPolarHBondContact O-CD 3.31Å; Y687-K718 WeakPolarHBondContact O-CE 3.04Å; Y687-K718 PolarHBondContact O-NZ 3.23Å; Y687-K718 VanDerWaalsContact O-NZ 3.1Å; M713-K718 HydrophobicContact CB-CB 4.36Å; F714-K718 PolarHBondContact O-N 3.32Å; P715-K718 WeakPolarHBondContact O-CB 3.34Å; P715-K718 PolarHBondContact O-N 3.49Å; P715-K718 VanDerWaalsContact O-N 3.13Å; A716-K718 PolarHBondContact O-N 2.81Å; K718-S722 VanDerWaalsContact O-CB 3.29Å; K718-S722 WeakPolarHBondContact O-CB 3.23Å; K718-S722 PolarHBondContact O-N 3.32Å; K718-S722 PolarHBondContact O-OG 3.43Å
719	E	93.2	Very high	94.1	Very high	91 Å²	91	21.8 Å²	21.8	43%	0.425	12%	0.121	S	C	.	.	H	α-helix	trans	-66.4	-44.9	174.1	-67.8	-179.3	-173.9	0	0	111.9	P715 A716 F717 S722 H723 Y806 L816	P715-E719 PolarHBondContact O-N 2.81Å; A716-E719 PolarHBondContact O-N 2.84Å; F717-E719 VanDerWaalsContact C-N 3.25Å; F717-E719 PolarHBondContact O-N 3.16Å; E719-S722 PolarHBondContact O-N 3.24Å; E719-H723 WeakPolarHBondContact O-CB 3.43Å; E719-H723 PolarHBondContact O-N 3.31Å; E719-Y806 WeakPolarHBondContact CB-OH 3.4Å; E719-Y806 PolarHBondContact OE2-OH 3.33Å; E719-L816 HydrophobicContact CB-CD1 4.42Å
720	V	94.8	Very high	93.9	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-46.7	174.9	175	0	0	0	0	111	A716 F717 S722 H723 F724 Y806 L816 W818 V819 W822	A716-V720 PolarHBondContact O-N 2.8Å; F717-V720 PolarHBondContact O-N 3.47Å; V720-S722 VanDerWaalsContact C-N 3.33Å; V720-S722 PolarHBondContact O-N 2.93Å; V720-H723 PolarHBondContact O-N 2.84Å; V720-F724 PolarHBondContact O-N 3.38Å; V720-Y806 HydrophobicContact CG2-CD1 4.41Å; V720-Y806 HydrophobicContact CG2-CE1 3.78Å; V720-L816 HydrophobicContact CG2-CD2 4.42Å; V720-W818 HydrophobicContact CG2-CH2 3.67Å; V720-W818 HydrophobicContact CG2-CZ2 3.91Å; V720-V819 HydrophobicContact CG1-CG1 3.87Å; V720-V819 HydrophobicContact CG1-CG2 4.18Å; V720-V819 HydrophobicContact CG2-CG2 4.24Å; V720-W822 HydrophobicContact CG1-CE3 4.17Å; V720-W822 HydrophobicContact CG1-CH2 4Å; V720-W822 HydrophobicContact CG1-CZ3 3.54Å
721	W	95.8	Very high	93.8	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-46.1	175.7	-174.7	-101.7	0	0	0	111.3	L689 L690 M713 F717 F724 H725 F772 L774 M800	L689-W721 PolarHBondContact O-NE1 2.98Å; L690-W721 HydrophobicContact CD2-CH2 4.18Å; L690-W721 HydrophobicContact CD2-CZ2 3.88Å; M713-W721 HydrophobicContact CE-CD2 3.85Å; M713-W721 HydrophobicContact CE-CE3 4.32Å; M713-W721 HydrophobicContact CE-CG 4.04Å; M713-W721 HydrophobicContact CE-CZ2 4.39Å; M713-W721 HydrophobicContact SD-CB 4.22Å; M713-W721 HydrophobicContact SD-CD2 4.44Å; M713-W721 HydrophobicContact SD-CG 4.04Å; F717-W721 HydrophobicContact CD1-CB 4.49Å; F717-W721 HydrophobicContact CE1-CB 4.34Å; F717-W721 HydrophobicContact CE1-CE3 4.02Å; F717-W721 HydrophobicContact CZ-CE3 4.35Å; F717-W721 WeakPolarHBondContact O-CB 3.44Å; F717-W721 PolarHBondContact O-N 2.95Å; W721-F724 PolarHBondContact O-N 2.97Å; W721-H725 AromaticContact CD1-ND1 3.84Å; W721-H725 AromaticContact CD2-CE1 3.6Å; W721-H725 AromaticContact CD2-ND1 3.98Å; W721-H725 AromaticContact CE2-CE1 3.18Å; W721-H725 AromaticContact CE2-ND1 3.8Å; W721-H725 AromaticContact CH2-CE1 3.96Å; W721-H725 AromaticContact CZ2-CE1 3.37Å; W721-H725 WeakPolarHBondContact CZ2-CE1 3.42Å; W721-H725 AromaticContact CZ2-NE2 3.99Å; W721-H725 AromaticContact NE1-CE1 3.47Å; W721-H725 PolarHBondContact NE1-CE1 3.35Å; W721-H725 AromaticContact NE1-ND1 3.7Å; W721-H725 PolarHBondContact O-N 2.81Å; W721-H725 PolarHBondContact O-ND1 2.94Å; W721-F772 HydrophobicContact CZ3-CB 4.03Å; W721-L774 HydrophobicContact CH2-CD1 4.41Å; W721-M800 HydrophobicContact CE3-CE 4.05Å; W721-M800 HydrophobicContact CZ3-CE 3.56Å
722	S	93.6	Very high	93.7	Very high	40 Å²	40	31 Å²	31	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-66.9	-40.6	178.5	-59.6	0	0	0	0	112	K718 E719 V720 H725 T726	K718-S722 VanDerWaalsContact O-CB 3.29Å; K718-S722 WeakPolarHBondContact O-CB 3.23Å; K718-S722 PolarHBondContact O-N 3.32Å; K718-S722 PolarHBondContact O-OG 3.43Å; E719-S722 PolarHBondContact O-N 3.24Å; V720-S722 VanDerWaalsContact C-N 3.33Å; V720-S722 PolarHBondContact O-N 2.93Å; S722-H725 PolarHBondContact O-N 3.31Å; S722-T726 WeakPolarHBondContact O-CB 3.38Å; S722-T726 VanDerWaalsContact O-CG2 3.28Å; S722-T726 WeakPolarHBondContact O-CG2 3.4Å; S722-T726 PolarHBondContact O-N 3.48Å; S722-T726 PolarHBondContact O-OG1 2.84Å
723	H	93.8	Very high	93.7	Very high	45 Å²	45	30.9 Å²	30.9	21%	0.208	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176.7	-177.3	76.4	0	0	0	112.1	E719 V720 H725 T726 S727 L816	E719-H723 WeakPolarHBondContact O-CB 3.43Å; E719-H723 PolarHBondContact O-N 3.31Å; V720-H723 PolarHBondContact O-N 2.84Å; H723-H725 PolarHBondContact O-N 2.87Å; H723-T726 WeakPolarHBondContact CA-OG1 3.48Å; H723-T726 PolarHBondContact O-OG1 3.15Å; H723-S727 VanDerWaalsContact O-CB 3.28Å; H723-S727 WeakPolarHBondContact O-CB 3.37Å; H723-S727 PolarHBondContact O-N 3.1Å; H723-L816 HydrophobicContact CB-CB 4.29Å; H723-L816 HydrophobicContact CB-CD1 3.62Å
724	F	94.9	Very high	93.6	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.181	C	C	.	.	I	π-helix	trans	-54.7	-54.2	172.8	174.2	-91.2	0	0	0	110.8	V720 W721 T726 I728 L729 L774 M776 F798 L823	V720-F724 PolarHBondContact O-N 3.38Å; W721-F724 PolarHBondContact O-N 2.97Å; F724-T726 PolarHBondContact O-N 3.27Å; F724-I728 HydrophobicContact CD2-CB 3.94Å; F724-I728 HydrophobicContact CD2-CD1 4.35Å; F724-I728 HydrophobicContact CD2-CG2 4Å; F724-I728 HydrophobicContact CE2-CB 4.38Å; F724-I728 HydrophobicContact CE2-CG2 4.06Å; F724-I728 CarbonylContact O-C 3.51Å; F724-I728 WeakPolarHBondContact O-CA 3.33Å; F724-I728 WeakPolarHBondContact O-CB 3.42Å; F724-I728 PolarHBondContact O-N 2.86Å; F724-L729 HydrophobicContact CD1-CB 4.32Å; F724-L729 HydrophobicContact CE1-CB 3.86Å; F724-L729 HydrophobicContact CE1-CD1 4.25Å; F724-L729 HydrophobicContact CE1-CD2 4.23Å; F724-L729 HydrophobicContact CE1-CG 4.35Å; F724-L729 HydrophobicContact CZ-CB 4.23Å; F724-L729 HydrophobicContact CZ-CD1 4.32Å; F724-L729 WeakPolarHBondContact O-CB 3.43Å; F724-L729 PolarHBondContact O-N 3.08Å; F724-L774 HydrophobicContact CD1-CD1 3.83Å; F724-L774 HydrophobicContact CE1-CD1 3.23Å; F724-L774 HydrophobicContact CE1-CD2 3.92Å; F724-L774 HydrophobicContact CE1-CG 4.22Å; F724-L774 HydrophobicContact CE2-CD2 4.39Å; F724-L774 HydrophobicContact CZ-CD1 3.7Å; F724-L774 HydrophobicContact CZ-CD2 3.5Å; F724-L774 HydrophobicContact CZ-CG 4.25Å; F724-M776 HydrophobicContact CE2-SD 4.46Å; F724-M776 HydrophobicContact CZ-SD 3.82Å; F724-F798 HydrophobicContact CE2-CE2 4.23Å; F724-L823 HydrophobicContact CD2-CD1 3.62Å; F724-L823 HydrophobicContact CE2-CD1 4.18Å
725	H	93.5	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-69.5	-34.9	-174.8	-71.7	90.2	0	0	0	113.4	Y645 P692 Y694 W721 S722 H723	Y645-H725 PolarHBondContact OH-CD2 2.93Å; Y645-H725 VanDerWaalsContact OH-CD2 3.26Å; Y645-H725 PolarHBondContact OH-NE2 3.26Å; Y645-H725 VanDerWaalsContact OH-NE2 3.11Å; P692-H725 HydrophobicContact CG-CB 3.93Å; P692-H725 VanDerWaalsContact CG-CD2 3.44Å; P692-H725 WeakPolarHBondContact CG-CD2 3.36Å; Y694-H725 HydrophobicContact CE2-CB 3.89Å; Y694-H725 WeakPolarHBondContact OH-CB 3.41Å; W721-H725 AromaticContact CD1-ND1 3.84Å; W721-H725 AromaticContact CD2-CE1 3.6Å; W721-H725 AromaticContact CD2-ND1 3.98Å; W721-H725 AromaticContact CE2-CE1 3.18Å; W721-H725 AromaticContact CE2-ND1 3.8Å; W721-H725 AromaticContact CH2-CE1 3.96Å; W721-H725 AromaticContact CZ2-CE1 3.37Å; W721-H725 WeakPolarHBondContact CZ2-CE1 3.42Å; W721-H725 AromaticContact CZ2-NE2 3.99Å; W721-H725 AromaticContact NE1-CE1 3.47Å; W721-H725 PolarHBondContact NE1-CE1 3.35Å; W721-H725 AromaticContact NE1-ND1 3.7Å; W721-H725 PolarHBondContact O-N 2.81Å; W721-H725 PolarHBondContact O-ND1 2.94Å; S722-H725 PolarHBondContact O-N 3.31Å; H723-H725 PolarHBondContact O-N 2.87Å
726	T	91.5	Very high	93.5	Very high	49 Å²	49	37.1 Å²	37.1	30%	0.301	19%	0.19	S	C	.	.	I	π-helix	trans	-83.5	-29.3	-177.9	55.6	0	0	0	0	113.8	V653 Y694 S722 H723 F724	V653-T726 HydrophobicContact CG1-CG2 4.38Å; V653-T726 WeakPolarHBondContact CG2-O 3.2Å; Y694-T726 HydrophobicContact CD2-CG2 4.47Å; Y694-T726 HydrophobicContact CE1-CG2 4.26Å; Y694-T726 HydrophobicContact CE2-CG2 3.82Å; S722-T726 WeakPolarHBondContact O-CB 3.38Å; S722-T726 VanDerWaalsContact O-CG2 3.28Å; S722-T726 WeakPolarHBondContact O-CG2 3.4Å; S722-T726 PolarHBondContact O-N 3.48Å; S722-T726 PolarHBondContact O-OG1 2.84Å; H723-T726 WeakPolarHBondContact CA-OG1 3.48Å; H723-T726 PolarHBondContact O-OG1 3.15Å; F724-T726 PolarHBondContact O-N 3.27Å
727	S	91.2	Very high	93.5	Very high	41 Å²	41	39 Å²	39	29%	0.287	20%	0.198	S	C	.	.	I	π-helix	trans	-121	-45	-169.9	-58.2	0	0	0	0	113.8	H723	H723-S727 VanDerWaalsContact O-CB 3.28Å; H723-S727 WeakPolarHBondContact O-CB 3.37Å; H723-S727 PolarHBondContact O-N 3.1Å
728	I	94	Very high	93.5	Very high	16 Å²	16	38.8 Å²	38.8	8%	0.082	20%	0.197	C	C	.	.	I	π-helix	trans	-85.7	-48.8	-171.8	-55.4	-177.2	0	0	0	110.6	F724 L730 K731 Y732 V819 L823	F724-I728 HydrophobicContact CD2-CB 3.94Å; F724-I728 HydrophobicContact CD2-CD1 4.35Å; F724-I728 HydrophobicContact CD2-CG2 4Å; F724-I728 HydrophobicContact CE2-CB 4.38Å; F724-I728 HydrophobicContact CE2-CG2 4.06Å; F724-I728 CarbonylContact O-C 3.51Å; F724-I728 WeakPolarHBondContact O-CA 3.33Å; F724-I728 WeakPolarHBondContact O-CB 3.42Å; F724-I728 PolarHBondContact O-N 2.86Å; I728-L730 VanDerWaalsContact C-N 3.26Å; I728-L730 PolarHBondContact O-N 3.28Å; I728-K731 PolarHBondContact O-N 2.86Å; I728-K731 VanDerWaalsContact O-N 3.14Å; I728-Y732 HydrophobicContact CG2-CD2 3.84Å; I728-Y732 HydrophobicContact CG2-CE2 3.58Å; I728-Y732 WeakPolarHBondContact O-CD2 3.4Å; I728-Y732 PolarHBondContact O-N 3.07Å; I728-Y732 VanDerWaalsContact O-N 3.12Å; I728-V819 HydrophobicContact CD1-CB 4.31Å; I728-V819 HydrophobicContact CD1-CG1 3.72Å; I728-L823 HydrophobicContact CD1-CD1 3.57Å; I728-L823 HydrophobicContact CG2-CD1 4.44Å
729	L	94	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-36.5	178.2	-177.2	59.3	0	0	0	111.8	Y645 L647 L695 F724 K731 Y732 S733 V739 V741 M776	Y645-L729 HydrophobicContact CE2-CD2 4.23Å; L647-L729 HydrophobicContact CD1-CD1 4.24Å; L647-L729 HydrophobicContact CD1-CD2 3.63Å; L647-L729 HydrophobicContact CD1-CG 3.81Å; L695-L729 HydrophobicContact CD1-CD2 4.02Å; F724-L729 HydrophobicContact CD1-CB 4.32Å; F724-L729 HydrophobicContact CE1-CB 3.86Å; F724-L729 HydrophobicContact CE1-CD1 4.25Å; F724-L729 HydrophobicContact CE1-CD2 4.23Å; F724-L729 HydrophobicContact CE1-CG 4.35Å; F724-L729 HydrophobicContact CZ-CB 4.23Å; F724-L729 HydrophobicContact CZ-CD1 4.32Å; F724-L729 WeakPolarHBondContact O-CB 3.43Å; F724-L729 PolarHBondContact O-N 3.08Å; L729-K731 PolarHBondContact O-N 3.09Å; L729-Y732 PolarHBondContact O-N 3.06Å; L729-S733 WeakPolarHBondContact O-CB 3.33Å; L729-S733 PolarHBondContact O-N 3.42Å; L729-V739 HydrophobicContact CD1-CG2 3.81Å; L729-V741 HydrophobicContact CD1-CG2 3.8Å; L729-V741 HydrophobicContact CD2-CG2 4.32Å; L729-M776 HydrophobicContact CD1-CG 4.45Å; L729-M776 HydrophobicContact CD1-SD 3.82Å
730	L	91.8	Very high	93.9	Very high	31 Å²	31	32.7 Å²	32.7	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-52.7	-52.6	172.4	175.4	61.1	0	0	0	111	L650 V653 I728 S733 Q734	L650-L730 HydrophobicContact CB-CD1 3.43Å; L650-L730 VanDerWaalsContact CB-CD1 3.43Å; L650-L730 HydrophobicContact CD1-CD1 4.48Å; L650-L730 VanDerWaalsContact O-CD1 3.27Å; L650-L730 WeakPolarHBondContact O-CD1 3.21Å; V653-L730 HydrophobicContact CG2-CB 4.35Å; V653-L730 HydrophobicContact CG2-CD1 4.39Å; V653-L730 HydrophobicContact CG2-CD2 4.3Å; I728-L730 VanDerWaalsContact C-N 3.26Å; I728-L730 PolarHBondContact O-N 3.28Å; L730-S733 PolarHBondContact O-N 3.03Å; L730-S733 PolarHBondContact O-OG 3.2Å; L730-Q734 WeakPolarHBondContact O-CG 3.34Å; L730-Q734 PolarHBondContact O-N 3.35Å; L730-Q734 VanDerWaalsContact O-N 3.17Å
731	K	92.6	Very high	94.1	Very high	128 Å²	128	32.5 Å²	32.5	56%	0.557	17%	0.168	S	C	*	.	H	α-helix	trans	-62.3	-46.6	179.9	-67.6	176.2	-177.9	176.4	0	111.6	I728 L729 S733 Q734 D735	I728-K731 PolarHBondContact O-N 2.86Å; I728-K731 VanDerWaalsContact O-N 3.14Å; L729-K731 PolarHBondContact O-N 3.09Å; K731-S733 VanDerWaalsContact C-N 3.31Å; K731-S733 PolarHBondContact O-N 2.85Å; K731-Q734 PolarHBondContact O-N 2.76Å; K731-Q734 VanDerWaalsContact O-N 3.12Å; K731-D735 WeakPolarHBondContact O-CB 3.37Å; K731-D735 VanDerWaalsContact O-CG 3.26Å; K731-D735 PolarHBondContact O-N 2.96Å
732	Y	93.5	Very high	94.2	Very high	35 Å²	35	32.8 Å²	32.8	14%	0.137	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-39.3	176.1	-78.3	-64.6	0	0	0	112.8	I728 L729 Q734 D735 L736 M776 I796	I728-Y732 HydrophobicContact CG2-CD2 3.84Å; I728-Y732 HydrophobicContact CG2-CE2 3.58Å; I728-Y732 WeakPolarHBondContact O-CD2 3.4Å; I728-Y732 PolarHBondContact O-N 3.07Å; I728-Y732 VanDerWaalsContact O-N 3.12Å; L729-Y732 PolarHBondContact O-N 3.06Å; Y732-Q734 PolarHBondContact O-N 2.8Å; Y732-D735 PolarHBondContact O-N 3.15Å; Y732-L736 HydrophobicContact CD1-CD1 3.94Å; Y732-L736 WeakPolarHBondContact O-CB 3.35Å; Y732-L736 VanDerWaalsContact O-CG 3.27Å; Y732-L736 WeakPolarHBondContact O-CG 3.1Å; Y732-L736 PolarHBondContact O-N 2.95Å; Y732-M776 HydrophobicContact CD1-CE 4.07Å; Y732-M776 HydrophobicContact CD2-CE 3.52Å; Y732-M776 HydrophobicContact CD2-SD 3.79Å; Y732-M776 HydrophobicContact CE1-CE 4.18Å; Y732-M776 HydrophobicContact CE2-CE 3.64Å; Y732-M776 HydrophobicContact CE2-SD 4.44Å; Y732-M776 HydrophobicContact CG-CE 3.75Å; Y732-M776 HydrophobicContact CG-SD 3.98Å; Y732-I796 HydrophobicContact CD1-CD1 4.19Å; Y732-I796 HydrophobicContact CE1-CD1 3.75Å
733	S	93.9	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-33.5	177.2	79.4	0	0	0	0	112.5	P649 L650 L729 L730 K731 G738	P649-S733 WeakPolarHBondContact CA-O 3.45Å; L650-S733 PolarHBondContact N-OG 2.98Å; L729-S733 WeakPolarHBondContact O-CB 3.33Å; L729-S733 PolarHBondContact O-N 3.42Å; L730-S733 PolarHBondContact O-N 3.03Å; L730-S733 PolarHBondContact O-OG 3.2Å; K731-S733 VanDerWaalsContact C-N 3.31Å; K731-S733 PolarHBondContact O-N 2.85Å; S733-G738 PolarHBondContact O-N 3.04Å
734	Q	92.9	Very high	94.7	Very high	89 Å²	89	28.7 Å²	28.7	42%	0.416	15%	0.147	S	C	.	.	H	α-helix	trans	-76.6	-51.8	177.2	-67.2	170.1	-11.7	0	0	110.9	L650 L730 K731 Y732 L736 N737	L650-Q734 WeakPolarHBondContact O-CG 3.17Å; L650-Q734 PolarHBondContact O-NE2 2.97Å; L730-Q734 WeakPolarHBondContact O-CG 3.34Å; L730-Q734 PolarHBondContact O-N 3.35Å; L730-Q734 VanDerWaalsContact O-N 3.17Å; K731-Q734 PolarHBondContact O-N 2.76Å; K731-Q734 VanDerWaalsContact O-N 3.12Å; Y732-Q734 PolarHBondContact O-N 2.8Å; Q734-L736 VanDerWaalsContact C-N 3.25Å; Q734-L736 PolarHBondContact O-N 2.87Å; Q734-N737 PolarHBondContact O-N 3.13Å
735	D	92.4	Very high	94.8	Very high	120 Å²	120	29 Å²	29	64%	0.642	15%	0.149	S	C	*	.	H	α-helix	trans	-64.2	-30.3	-175.4	-66.9	-18.5	0	0	0	112.5	K731 Y732	K731-D735 WeakPolarHBondContact O-CB 3.37Å; K731-D735 VanDerWaalsContact O-CG 3.26Å; K731-D735 PolarHBondContact O-N 2.96Å; Y732-D735 PolarHBondContact O-N 3.15Å
736	L	93	Very high	95.1	Very high	26 Å²	26	29 Å²	29	14%	0.136	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	8.7	-174.5	-54.7	177.5	0	0	0	114.1	Y732 Q734 G738 V739 I796	Y732-L736 HydrophobicContact CD1-CD1 3.94Å; Y732-L736 WeakPolarHBondContact O-CB 3.35Å; Y732-L736 VanDerWaalsContact O-CG 3.27Å; Y732-L736 WeakPolarHBondContact O-CG 3.1Å; Y732-L736 PolarHBondContact O-N 2.95Å; Q734-L736 VanDerWaalsContact C-N 3.25Å; Q734-L736 PolarHBondContact O-N 2.87Å; L736-G738 VanDerWaalsContact C-N 3.35Å; L736-G738 PolarHBondContact O-N 3.19Å; L736-V739 HydrophobicContact CB-CG1 4.02Å; L736-V739 HydrophobicContact CD1-CG1 3.81Å; L736-V739 HydrophobicContact CG-CG1 4.48Å; L736-I796 HydrophobicContact CD1-CD1 4.4Å
737	N	94.3	Very high	95.3	Very high	53 Å²	53	27.1 Å²	27.1	28%	0.283	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	48.7	-175.6	-168.8	25.7	0	0	0	113.3	P649 Q734 S782	P649-N737 WeakPolarHBondContact CG-OD1 3.37Å; Q734-N737 PolarHBondContact O-N 3.13Å; N737-S782 WeakPolarHBondContact CB-O 3.27Å; N737-S782 PolarHBondContact ND2-O 2.66Å
738	G	95	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	93.4	153.3	-176.3	0	0	0	0	0	113.2	L647 S733 L736 P786	L647-G738 CarbonylContact O-C 3.53Å; L647-G738 WeakPolarHBondContact O-CA 3.34Å; S733-G738 PolarHBondContact O-N 3.04Å; L736-G738 VanDerWaalsContact C-N 3.35Å; L736-G738 PolarHBondContact O-N 3.19Å; G738-P786 VanDerWaalsContact C-CG 3.46Å; G738-P786 WeakPolarHBondContact O-CD 3.49Å; G738-P786 VanDerWaalsContact O-CG 3.24Å; G738-P786 WeakPolarHBondContact O-CG 3.33Å
739	V	96.9	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.8	-177.1	-68.7	0	0	0	0	110.6	L647 L729 L736 V741	L647-V739 HydrophobicContact CB-CG2 4.2Å; L647-V739 HydrophobicContact CD1-CG2 4.26Å; L647-V739 PolarHBondContact N-O 2.92Å; L647-V739 PolarHBondContact O-N 3.23Å; L729-V739 HydrophobicContact CD1-CG2 3.81Å; L736-V739 HydrophobicContact CB-CG1 4.02Å; L736-V739 HydrophobicContact CD1-CG1 3.81Å; L736-V739 HydrophobicContact CG-CG1 4.48Å; V739-V741 HydrophobicContact CG2-CG2 4.17Å
740	N	98	Very high	95.8	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.3	160.4	173.8	-105.7	0	0	0	108.2	H606 P608 F609 S644 Y645 T646 M776 T777 P786	H606-N740 PolarHBondContact O-ND2 3.39Å; P608-N740 HydrophobicContact CG-CB 4.19Å; F609-N740 HydrophobicContact CE2-CB 4.01Å; S644-N740 PolarHBondContact OG-ND2 3.03Å; Y645-N740 PolarHBondContact O-ND2 3.17Å; T646-N740 PolarHBondContact OG1-ND2 3.34Å; N740-M776 CarbonylContact O-C 3.58Å; N740-M776 WeakPolarHBondContact O-CA 3.47Å; N740-T777 PolarHBondContact N-O 3Å; N740-T777 PolarHBondContact O-N 3.16Å; N740-P786 HydrophobicContact CB-CB 4.22Å
741	V	98.4	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.7	178.4	-174.4	0	0	0	0	108.7	S644 Y645 L729 V739 L774 I775	S644-V741 WeakPolarHBondContact CA-O 3.27Å; S644-V741 PolarHBondContact OG-O 2.98Å; Y645-V741 HydrophobicContact CD1-CB 4.31Å; Y645-V741 HydrophobicContact CD2-CB 4.18Å; Y645-V741 HydrophobicContact CD2-CG2 4.37Å; Y645-V741 HydrophobicContact CE1-CB 3.86Å; Y645-V741 HydrophobicContact CE1-CG1 3.88Å; Y645-V741 HydrophobicContact CE2-CB 3.7Å; Y645-V741 HydrophobicContact CE2-CG1 4.28Å; Y645-V741 HydrophobicContact CE2-CG2 3.72Å; Y645-V741 HydrophobicContact CG-CB 4.46Å; Y645-V741 PolarHBondContact N-O 3.01Å; Y645-V741 VanDerWaalsContact N-O 3.08Å; Y645-V741 PolarHBondContact O-N 2.99Å; Y645-V741 WeakPolarHBondContact OH-CG1 3.24Å; L729-V741 HydrophobicContact CD1-CG2 3.8Å; L729-V741 HydrophobicContact CD2-CG2 4.32Å; V739-V741 HydrophobicContact CG2-CG2 4.17Å; V741-L774 HydrophobicContact CG1-CD1 4.12Å; V741-L774 HydrophobicContact CG1-CD2 4.18Å; V741-L774 HydrophobicContact CG1-CG 3.95Å; V741-I775 CarbonylContact C-O 3.57Å; V741-I775 WeakPolarHBondContact CA-O 3.23Å
742	V	98.8	Very high	96.4	Very high	10 Å²	10	31.2 Å²	31.2	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	165.9	-170.3	0	0	0	0	107.9	W642 V643 F773 L774 I775 F841	W642-V742 HydrophobicContact CB-CG1 4.09Å; V643-V742 CarbonylContact O-C 3.57Å; V643-V742 VanDerWaalsContact O-CA 3.28Å; V643-V742 WeakPolarHBondContact O-CA 3.11Å; V742-F773 HydrophobicContact CG1-CE2 4.07Å; V742-F773 HydrophobicContact CG1-CZ 4.44Å; V742-L774 CarbonylContact O-C 3.59Å; V742-L774 WeakPolarHBondContact O-CA 3.11Å; V742-I775 HydrophobicContact CB-CB 4.41Å; V742-I775 PolarHBondContact N-O 2.82Å; V742-I775 PolarHBondContact O-N 3.13Å; V742-F841 HydrophobicContact CG1-CE1 3.96Å
743	S	98.7	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.8	-179.2	68	0	0	0	0	112.3	W642 V643 F773	W642-S743 CarbonylContact C-O 3.52Å; W642-S743 WeakPolarHBondContact CA-O 3.32Å; V643-S743 PolarHBondContact N-O 3.4Å; V643-S743 PolarHBondContact O-N 3.18Å; S743-F773 VanDerWaalsContact CA-O 3.27Å; S743-F773 WeakPolarHBondContact CA-O 3.5Å; S743-F773 WeakPolarHBondContact CB-O 3.27Å
744	G	98.5	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	175.3	-179.9	0	0	0	0	0	113.8	F772 F773	G744-F772 CarbonylContact O-C 3.59Å; G744-F772 WeakPolarHBondContact O-CA 3.34Å; G744-F773 VanDerWaalsContact C-CD1 3.49Å; G744-F773 PolarHBondContact N-O 2.88Å; G744-F773 WeakPolarHBondContact O-CD1 3.15Å; G744-F773 PolarHBondContact O-N 3.22Å
745	P	98.2	Very high	96.9	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.045	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	155.2	179.5	34.3	-37.2	0	0	0	112.5	M639 P640 F747 P769 F772	M639-P745 HydrophobicContact CG-CG 4.22Å; M639-P745 HydrophobicContact SD-CB 3.93Å; M639-P745 HydrophobicContact SD-CG 3.67Å; P640-P745 WeakPolarHBondContact O-CD 3.5Å; P640-P745 WeakPolarHBondContact O-CG 3.49Å; P745-F747 HydrophobicContact CB-CE2 3.84Å; P745-F747 HydrophobicContact CB-CZ 4.08Å; P745-F747 HydrophobicContact CG-CE2 3.91Å; P745-F747 HydrophobicContact CG-CZ 4.37Å; P745-P769 HydrophobicContact CB-CB 3.81Å; P745-P769 HydrophobicContact CB-CG 3.58Å; P745-F772 HydrophobicContact CB-CD1 4.4Å; P745-F772 HydrophobicContact CB-CE1 4.13Å
746	I	98.5	Very high	97.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.2	170.8	-74.6	165.4	0	0	0	109.8	D748 P769 T770 H771 F773 I799 L836 T837	I746-D748 HydrophobicContact CG2-CB 4.12Å; I746-P769 CarbonylContact O-C 3.58Å; I746-P769 WeakPolarHBondContact O-CA 3.41Å; I746-T770 PolarHBondContact O-N 2.64Å; I746-T770 PolarHBondContact O-OG1 3.07Å; I746-H771 HydrophobicContact CB-CB 3.95Å; I746-H771 HydrophobicContact CD1-CB 4.26Å; I746-H771 HydrophobicContact CG2-CB 4.17Å; I746-H771 PolarHBondContact N-O 3.48Å; I746-H771 PolarHBondContact O-N 3.2Å; I746-F773 HydrophobicContact CD1-CB 3.74Å; I746-F773 HydrophobicContact CD1-CD1 4.43Å; I746-F773 HydrophobicContact CG1-CB 4.37Å; I746-F773 HydrophobicContact CG1-CD1 4.16Å; I746-I799 HydrophobicContact CD1-CG1 4.18Å; I746-I799 HydrophobicContact CD1-CG2 3.84Å; I746-L836 HydrophobicContact CD1-CB 4.01Å; I746-L836 HydrophobicContact CD1-CD1 4.17Å; I746-L836 HydrophobicContact CG1-CB 4.09Å; I746-L836 HydrophobicContact CG2-CB 3.88Å; I746-L836 HydrophobicContact CG2-CD2 3.98Å; I746-L836 HydrophobicContact CG2-CG 4.37Å; I746-T837 HydrophobicContact CD1-CG2 4.43Å; I746-T837 HydrophobicContact CG1-CG2 3.72Å
747	F	96.8	Very high	97	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.039	16%	0.156	C	C	.	.			trans	-124.4	105.3	175.9	-55.4	-90.8	0	0	0	108.5	M639 P745 D756 A767 P769	M639-F747 HydrophobicContact CE-CZ 4.06Å; M639-F747 HydrophobicContact SD-CZ 3.96Å; P745-F747 HydrophobicContact CB-CE2 3.84Å; P745-F747 HydrophobicContact CB-CZ 4.08Å; P745-F747 HydrophobicContact CG-CE2 3.91Å; P745-F747 HydrophobicContact CG-CZ 4.37Å; F747-D756 VanDerWaalsContact C-OD2 3.24Å; F747-D756 HydrophobicContact CB-CB 4.19Å; F747-D756 WeakPolarHBondContact O-CB 3.45Å; F747-D756 VanDerWaalsContact O-CG 3.24Å; F747-D756 PolarHBondContact O-N 3.01Å; F747-A767 HydrophobicContact CD1-CB 4.21Å; F747-A767 HydrophobicContact CE1-CB 3.76Å; F747-P769 HydrophobicContact CE1-CB 4.29Å; F747-P769 HydrophobicContact CE1-CG 4.08Å; F747-P769 HydrophobicContact CZ-CB 4.43Å; F747-P769 HydrophobicContact CZ-CG 4Å
748	D	97.5	Very high	96.5	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.027	15%	0.153	C	C	.	.			trans	-142.7	67.9	-177.1	171.6	24.2	0	0	0	107.5	K444 I746 F751 D752 G753 D756 T770 L836	K444-D748 VanDerWaalsContact CE-OD2 3.22Å; K444-D748 WeakPolarHBondContact CE-OD2 3.29Å; K444-D748 IonicContact NZ-OD2 3.83Å; K444-D748 PolarHBondContact NZ-OD2 3.06Å; I746-D748 HydrophobicContact CG2-CB 4.12Å; D748-F751 WeakPolarHBondContact OD1-CA 3.46Å; D748-F751 PolarHBondContact OD1-N 3.2Å; D748-D752 PolarHBondContact OD1-N 3.49Å; D748-G753 PolarHBondContact OD1-N 3.09Å; D748-D756 PolarHBondContact N-OD2 2.99Å; D748-T770 PolarHBondContact N-OG1 2.91Å; D748-L836 HydrophobicContact CB-CD2 3.56Å; D748-L836 WeakPolarHBondContact OD2-CD2 3.32Å
749	K	96.2	Very high	95.4	Very high	138 Å²	138	31.8 Å²	31.8	60%	0.6	18%	0.176	S	C	*	.	S	Bend	trans	-75.5	-28.3	-175.5	-71.8	-178.6	-179	179.3	0	111.9	F751 D756 T770	K749-F751 VanDerWaalsContact C-N 3.31Å; K749-D756 WeakPolarHBondContact CB-OD2 3.36Å; K749-D756 WeakPolarHBondContact CG-OD2 3.31Å; K749-D756 PolarHBondContact N-OD1 2.91Å; K749-D756 PolarHBondContact N-OD2 2.81Å; K749-T770 HydrophobicContact CG-CG2 3.95Å
750	D	96.9	Very high	93.9	Very high	59 Å²	59	40 Å²	40	32%	0.316	21%	0.211	S	C	.	.	S	Bend	trans	-88.9	1.3	177.6	68.4	-1.3	0	0	0	113.4	Y450 D752	Y450-D750 VanDerWaalsContact CD2-O 3.31Å; Y450-D750 WeakPolarHBondContact CD2-O 3.46Å; D750-D752 PolarHBondContact O-N 2.83Å; D750-D752 PolarHBondContact OD1-N 3.19Å
751	F	97.6	Very high	92.3	Very high	64 Å²	64	41.9 Å²	41.9	28%	0.281	22%	0.222	S	C	.	.			trans	56.2	30.1	173.3	53.8	-93.3	0	0	0	113.4	E440 A449 Y450 D748 K749	E440-F751 HydrophobicContact CB-CB 4.01Å; E440-F751 HydrophobicContact CB-CD1 4Å; E440-F751 HydrophobicContact CB-CG 4.01Å; A449-F751 HydrophobicContact CB-CB 4.21Å; A449-F751 HydrophobicContact CB-CD2 3.79Å; A449-F751 HydrophobicContact CB-CG 4.34Å; Y450-F751 HydrophobicContact CD2-CD2 4.14Å; Y450-F751 HydrophobicContact CD2-CE2 4.05Å; D748-F751 WeakPolarHBondContact OD1-CA 3.46Å; D748-F751 PolarHBondContact OD1-N 3.2Å; K749-F751 VanDerWaalsContact C-N 3.31Å
752	D	97.9	Very high	90.4	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	26%	0.262	C	S	.	.	S	Bend	trans	-88.2	-6	-178.2	91.9	-25.3	0	0	0	113.9	Y450 D748 D750 N754	Y450-D752 HydrophobicContact CD1-CB 4.09Å; Y450-D752 HydrophobicContact CD2-CB 3.4Å; Y450-D752 VanDerWaalsContact CD2-CB 3.4Å; Y450-D752 HydrophobicContact CE1-CB 4.26Å; Y450-D752 HydrophobicContact CE2-CB 3.57Å; Y450-D752 HydrophobicContact CG-CB 3.67Å; D748-D752 PolarHBondContact OD1-N 3.49Å; D750-D752 PolarHBondContact O-N 2.83Å; D750-D752 PolarHBondContact OD1-N 3.19Å; D752-N754 VanDerWaalsContact C-N 3.32Å; D752-N754 VanDerWaalsContact CG-ND2 3.33Å; D752-N754 PolarHBondContact O-ND2 2.75Å; D752-N754 WeakPolarHBondContact OD1-CA 3.38Å; D752-N754 VanDerWaalsContact OD1-CB 3.29Å; D752-N754 WeakPolarHBondContact OD1-CB 3.03Å; D752-N754 PolarHBondContact OD1-N 3.48Å; D752-N754 PolarHBondContact OD1-ND2 2.78Å; D752-N754 PolarHBondContact OD2-ND2 3.06Å
753	G	97.9	Very high	89.1	Confident	6 Å²	6	50.2 Å²	50.2	6%	0.062	28%	0.283	C	S	.	.	S	Bend	trans	81	9.7	179.5	0	0	0	0	0	114.2	D748 L835	D748-G753 PolarHBondContact OD1-N 3.09Å; G753-L835 VanDerWaalsContact O-CB 3.27Å; G753-L835 WeakPolarHBondContact O-CB 3.49Å
754	N	97.8	Very high	87.9	Confident	65 Å²	65	51.9 Å²	51.9	35%	0.348	29%	0.291	S	S	.	.	S	Bend	trans	-118.8	167	177.1	-55.7	-73.1	0	0	0	111.2	D752 D756 L835	D752-N754 VanDerWaalsContact C-N 3.32Å; D752-N754 VanDerWaalsContact CG-ND2 3.33Å; D752-N754 PolarHBondContact O-ND2 2.75Å; D752-N754 WeakPolarHBondContact OD1-CA 3.38Å; D752-N754 VanDerWaalsContact OD1-CB 3.29Å; D752-N754 WeakPolarHBondContact OD1-CB 3.03Å; D752-N754 PolarHBondContact OD1-N 3.48Å; D752-N754 PolarHBondContact OD1-ND2 2.78Å; D752-N754 PolarHBondContact OD2-ND2 3.06Å; N754-D756 PolarHBondContact O-N 2.92Å; N754-L835 CarbonylContact C-O 3.43Å; N754-L835 WeakPolarHBondContact CA-O 3.33Å
755	V	96.4	Very high	86.7	Confident	31 Å²	31	58.5 Å²	58.5	19%	0.188	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.5	124.2	176.7	61.3	0	0	0	0	111.1	Q616 L835	Q616-V755 HydrophobicContact CB-CG1 4.49Å; Q616-V755 HydrophobicContact CG-CG1 4.35Å; V755-L835 PolarHBondContact N-O 3.36Å
756	D	95.1	Very high	86	Confident	20 Å²	20	59.3 Å²	59.3	11%	0.107	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-58.1	144.9	172.6	-75.2	-25	0	0	0	111.2	Q616 R637 F747 D748 K749 N754	Q616-D756 PolarHBondContact NE2-O 3.14Å; R637-D756 PolarHBondContact NH2-O 3.4Å; F747-D756 VanDerWaalsContact C-OD2 3.24Å; F747-D756 HydrophobicContact CB-CB 4.19Å; F747-D756 WeakPolarHBondContact O-CB 3.45Å; F747-D756 VanDerWaalsContact O-CG 3.24Å; F747-D756 PolarHBondContact O-N 3.01Å; D748-D756 PolarHBondContact N-OD2 2.99Å; K749-D756 WeakPolarHBondContact CB-OD2 3.36Å; K749-D756 WeakPolarHBondContact CG-OD2 3.31Å; K749-D756 PolarHBondContact N-OD1 2.91Å; K749-D756 PolarHBondContact N-OD2 2.81Å; N754-D756 PolarHBondContact O-N 2.92Å
757	P	90.8	Very high	85.5	Confident	108 Å²	108	60.2 Å²	60.2	70%	0.701	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-51.8	143.9	170.6	-25.7	34.1	0	0	0	112.5	S759	P757-S759 PolarHBondContact O-N 2.85Å; P757-S759 VanDerWaalsContact O-N 3.09Å
758	V	83.9	Confident	85.4	Confident	36 Å²	36	62.1 Å²	62.1	22%	0.218	35%	0.347	C	S	.	.			trans	-69.8	108.1	176.9	-175.9	0	0	0	0	109.3	N619 D636	N619-V758 WeakPolarHBondContact OD1-CG2 3.38Å; D636-V758 HydrophobicContact CB-CG1 3.54Å
759	S	73.1	Confident	85.3	Confident	70 Å²	70	62 Å²	62	49%	0.49	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-81.2	120.5	165.3	57.4	0	0	0	0	109.1	P757 N761	P757-S759 PolarHBondContact O-N 2.85Å; P757-S759 VanDerWaalsContact O-N 3.09Å; S759-N761 PolarHBondContact O-N 3.26Å
760	K	65.9	Low	85.4	Confident	171 Å²	171	57 Å²	57	74%	0.743	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65.8	116.8	170.9	-71.8	-173.3	176.7	-176.7	0	108.7
761	N	63.5	Low	85.5	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.241	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-65.9	137.2	176.3	-65.4	-18.3	0	0	0	109.9	L638 S759 E765	L638-N761 HydrophobicContact CD1-CB 4.48Å; S759-N761 PolarHBondContact O-N 3.26Å; N761-E765 WeakPolarHBondContact CB-O 3.42Å; N761-E765 VanDerWaalsContact CG-O 3.32Å; N761-E765 PolarHBondContact ND2-O 2.98Å
762	T	59.3	Low	85.6	Confident	137 Å²	137	51.7 Å²	51.7	84%	0.84	30%	0.302	S	S	*	.	S	Bend	trans	-90.1	111.1	168.2	50	0	0	0	0	108.5
763	G	70	Confident	85.6	Confident	48 Å²	48	50 Å²	50	50%	0.495	29%	0.293	S	S	.	.	S	Bend	trans	85.4	-160.3	-175.8	0	0	0	0	0	113.2
764	N	73.3	Confident	85.6	Confident	35 Å²	35	49.7 Å²	49.7	19%	0.187	29%	0.29	C	S	.	.	S	Bend	trans	-97.8	13.7	-173.4	-66	51.7	0	0	0	113.5	S670 N673 L675	S670-N764 PolarHBondContact O-ND2 3.06Å; N673-N764 WeakPolarHBondContact O-CB 3.28Å; N673-N764 PolarHBondContact O-ND2 3.02Å; L675-N764 HydrophobicContact CD1-CB 3.83Å; L675-N764 HydrophobicContact CD2-CB 4.36Å; L675-N764 HydrophobicContact CG-CB 3.57Å
765	E	75.1	Confident	85.7	Confident	138 Å²	138	46.6 Å²	46.6	65%	0.645	27%	0.273	S	S	*	.			trans	-79.8	140.1	172.2	-69.4	-177.1	-176.9	0	0	110	N761	N761-E765 WeakPolarHBondContact CB-O 3.42Å; N761-E765 VanDerWaalsContact CG-O 3.32Å; N761-E765 PolarHBondContact ND2-O 2.98Å
766	T	82.8	Confident	85.7	Confident	24 Å²	24	45.2 Å²	45.2	15%	0.147	27%	0.265	C	S	.	.			trans	-118.5	149.3	-177.1	-174.8	0	0	0	0	111.6	R637 M639 Q674 P712	R637-T766 PolarHBondContact O-OG1 2.77Å; M639-T766 HydrophobicContact CE-CG2 4.2Å; M639-T766 WeakPolarHBondContact CE-OG1 3.22Å; Q674-T766 HydrophobicContact CG-CG2 4.07Å; P712-T766 HydrophobicContact CG-CG2 3.38Å
767	A	88.6	Confident	85.9	Confident	20 Å²	20	44.2 Å²	44.2	17%	0.165	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-70.4	140.2	176.9	0	0	0	0	0	110.4	M639 F747 P769	M639-A767 WeakPolarHBondContact CE-O 3.47Å; F747-A767 HydrophobicContact CD1-CB 4.21Å; F747-A767 HydrophobicContact CE1-CB 3.76Å; A767-P769 WeakPolarHBondContact O-CD 3.42Å
768	V	93.1	Very high	86.1	Confident	50 Å²	50	39.1 Å²	39.1	30%	0.303	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-76	123.5	174.2	-171.3	0	0	0	0	109	L685 F714	L685-V768 HydrophobicContact CD1-CG1 4.31Å; L685-V768 HydrophobicContact CD1-CG2 3.44Å; L685-V768 VanDerWaalsContact CD1-CG2 3.44Å; L685-V768 HydrophobicContact CD2-CG1 4.01Å; F714-V768 HydrophobicContact CE2-CG1 4.5Å; F714-V768 HydrophobicContact CZ-CG1 4.48Å
769	P	96.8	Very high	86.7	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.019	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.4	144.1	174.5	-24.3	35.9	0	0	0	111.2	M639 P745 I746 F747 A767 H771 F772 H802	M639-P769 HydrophobicContact SD-CG 4.28Å; P745-P769 HydrophobicContact CB-CB 3.81Å; P745-P769 HydrophobicContact CB-CG 3.58Å; I746-P769 CarbonylContact O-C 3.58Å; I746-P769 WeakPolarHBondContact O-CA 3.41Å; F747-P769 HydrophobicContact CE1-CB 4.29Å; F747-P769 HydrophobicContact CE1-CG 4.08Å; F747-P769 HydrophobicContact CZ-CB 4.43Å; F747-P769 HydrophobicContact CZ-CG 4Å; A767-P769 WeakPolarHBondContact O-CD 3.42Å; P769-H771 WeakPolarHBondContact CB-O 3.4Å; P769-F772 HydrophobicContact CB-CE2 4.04Å; P769-F772 HydrophobicContact CB-CZ 4.07Å; P769-F772 HydrophobicContact CG-CE1 4.29Å; P769-F772 HydrophobicContact CG-CE2 4.16Å; P769-F772 HydrophobicContact CG-CZ 3.74Å; P769-H802 PolarHBondContact O-ND1 3.21Å
770	T	97.9	Very high	87.6	Confident	32 Å²	32	42.7 Å²	42.7	20%	0.196	23%	0.225	C	C	.	.	S	Bend	trans	-79.4	-32.8	173	59.7	0	0	0	0	111.5	I746 D748 K749 H802	I746-T770 PolarHBondContact O-N 2.64Å; I746-T770 PolarHBondContact O-OG1 3.07Å; D748-T770 PolarHBondContact N-OG1 2.91Å; K749-T770 HydrophobicContact CG-CG2 3.95Å; T770-H802 VanDerWaalsContact O-CB 3.3Å; T770-H802 WeakPolarHBondContact O-CB 3.48Å; T770-H802 PolarHBondContact O-N 3.46Å
771	H	98.7	Very high	88.9	Confident	11 Å²	11	38 Å²	38	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.1	179.6	-54.7	71.6	0	0	0	109.2	K444 I746 P769 I799 M800 P801	K444-H771 WeakPolarHBondContact CE-CE1 3.38Å; K444-H771 VanDerWaalsContact CE-NE2 3.33Å; K444-H771 WeakPolarHBondContact CE-NE2 3.35Å; I746-H771 HydrophobicContact CB-CB 3.95Å; I746-H771 HydrophobicContact CD1-CB 4.26Å; I746-H771 HydrophobicContact CG2-CB 4.17Å; I746-H771 PolarHBondContact N-O 3.48Å; I746-H771 PolarHBondContact O-N 3.2Å; P769-H771 WeakPolarHBondContact CB-O 3.4Å; H771-I799 HydrophobicContact CB-CG2 3.84Å; H771-M800 CarbonylContact C-O 3.53Å; H771-M800 WeakPolarHBondContact CA-O 3.23Å; H771-M800 VanDerWaalsContact CB-O 3.27Å; H771-M800 WeakPolarHBondContact CB-O 3.47Å; H771-P801 WeakPolarHBondContact CD2-CA 3.48Å
772	F	98.8	Very high	90.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.3	163.3	-74.8	-92.4	0	0	0	109.4	L690 A711 P712 M713 F717 W721 G744 P745 P769 M800 H802	L690-F772 HydrophobicContact CD2-CD1 4.09Å; L690-F772 HydrophobicContact CD2-CE1 4.01Å; A711-F772 HydrophobicContact CB-CE1 3.77Å; A711-F772 HydrophobicContact CB-CZ 3.97Å; P712-F772 WeakPolarHBondContact O-CZ 3.43Å; M713-F772 HydrophobicContact CE-CD1 4Å; M713-F772 HydrophobicContact CE-CD2 4.46Å; M713-F772 HydrophobicContact CE-CE1 3.59Å; M713-F772 HydrophobicContact CE-CE2 4.09Å; M713-F772 HydrophobicContact CE-CG 4.41Å; M713-F772 HydrophobicContact CE-CZ 3.63Å; M713-F772 HydrophobicContact CG-CE2 3.92Å; M713-F772 HydrophobicContact CG-CZ 3.77Å; F717-F772 HydrophobicContact CD1-CD2 4.15Å; F717-F772 HydrophobicContact CD1-CE2 4.32Å; F717-F772 HydrophobicContact CE1-CB 4.24Å; F717-F772 AromaticContact CE1-CD2 3.38Å; F717-F772 HydrophobicContact CE1-CD2 3.38Å; F717-F772 AromaticContact CE1-CE2 3.94Å; F717-F772 HydrophobicContact CE1-CE2 3.94Å; F717-F772 AromaticContact CE1-CG 3.97Å; F717-F772 HydrophobicContact CE1-CG 3.97Å; F717-F772 HydrophobicContact CZ-CB 3.97Å; F717-F772 AromaticContact CZ-CD2 3.68Å; F717-F772 HydrophobicContact CZ-CD2 3.68Å; F717-F772 HydrophobicContact CZ-CG 4.15Å; W721-F772 HydrophobicContact CZ3-CB 4.03Å; G744-F772 CarbonylContact O-C 3.59Å; G744-F772 WeakPolarHBondContact O-CA 3.34Å; P745-F772 HydrophobicContact CB-CD1 4.4Å; P745-F772 HydrophobicContact CB-CE1 4.13Å; P769-F772 HydrophobicContact CB-CE2 4.04Å; P769-F772 HydrophobicContact CB-CZ 4.07Å; P769-F772 HydrophobicContact CG-CE1 4.29Å; P769-F772 HydrophobicContact CG-CE2 4.16Å; P769-F772 HydrophobicContact CG-CZ 3.74Å; F772-M800 HydrophobicContact CB-CE 4.45Å; F772-M800 PolarHBondContact N-O 3.28Å; F772-M800 WeakPolarHBondContact O-CB 3.37Å; F772-M800 PolarHBondContact O-N 3.45Å; F772-H802 HydrophobicContact CD2-CB 4.23Å; F772-H802 HydrophobicContact CE2-CB 4.34Å; F772-H802 AromaticContact CE2-CD2 3.88Å; F772-H802 AromaticContact CE2-CG 3.8Å; F772-H802 AromaticContact CE2-ND1 3.94Å
773	F	98.8	Very high	91.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.5	173.6	78.8	-94.5	0	0	0	111.6	W642 V742 S743 G744 I746 I775 F798 I833 T837 L839 F841	W642-F773 HydrophobicContact CB-CZ 4.11Å; V742-F773 HydrophobicContact CG1-CE2 4.07Å; V742-F773 HydrophobicContact CG1-CZ 4.44Å; S743-F773 VanDerWaalsContact CA-O 3.27Å; S743-F773 WeakPolarHBondContact CA-O 3.5Å; S743-F773 WeakPolarHBondContact CB-O 3.27Å; G744-F773 VanDerWaalsContact C-CD1 3.49Å; G744-F773 PolarHBondContact N-O 2.88Å; G744-F773 WeakPolarHBondContact O-CD1 3.15Å; G744-F773 PolarHBondContact O-N 3.22Å; I746-F773 HydrophobicContact CD1-CB 3.74Å; I746-F773 HydrophobicContact CD1-CD1 4.43Å; I746-F773 HydrophobicContact CG1-CB 4.37Å; I746-F773 HydrophobicContact CG1-CD1 4.16Å; F773-I775 HydrophobicContact CD2-CD1 4.32Å; F773-I775 HydrophobicContact CD2-CG1 4.18Å; F773-I775 HydrophobicContact CE2-CD1 4.26Å; F773-I775 HydrophobicContact CE2-CG1 4.49Å; F773-F798 VanDerWaalsContact CA-O 3.31Å; F773-F798 WeakPolarHBondContact CA-O 3.27Å; F773-I833 HydrophobicContact CB-CD1 3.9Å; F773-I833 HydrophobicContact CB-CG1 3.95Å; F773-I833 HydrophobicContact CB-CG2 3.81Å; F773-I833 HydrophobicContact CD1-CG2 4.02Å; F773-I833 HydrophobicContact CD2-CD1 4.16Å; F773-I833 HydrophobicContact CD2-CG2 3.55Å; F773-I833 HydrophobicContact CE1-CG2 4.47Å; F773-I833 HydrophobicContact CE2-CG2 4.05Å; F773-I833 HydrophobicContact CG-CD1 4.41Å; F773-I833 HydrophobicContact CG-CG2 3.52Å; F773-I833 HydrophobicContact CZ-CG2 4.48Å; F773-T837 HydrophobicContact CD1-CG2 3.54Å; F773-T837 HydrophobicContact CE1-CG2 3.61Å; F773-T837 HydrophobicContact CG-CG2 4.4Å; F773-L839 HydrophobicContact CE1-CD1 4.42Å; F773-L839 HydrophobicContact CZ-CD1 4.16Å; F773-F841 HydrophobicContact CE2-CZ 4.16Å; F773-F841 HydrophobicContact CZ-CZ 4.27Å
774	L	98.4	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	130.1	169.7	-168.6	144.9	0	0	0	110.1	W721 F724 V741 V742 M776 A797 F798 M800	W721-L774 HydrophobicContact CH2-CD1 4.41Å; F724-L774 HydrophobicContact CD1-CD1 3.83Å; F724-L774 HydrophobicContact CE1-CD1 3.23Å; F724-L774 HydrophobicContact CE1-CD2 3.92Å; F724-L774 HydrophobicContact CE1-CG 4.22Å; F724-L774 HydrophobicContact CE2-CD2 4.39Å; F724-L774 HydrophobicContact CZ-CD1 3.7Å; F724-L774 HydrophobicContact CZ-CD2 3.5Å; F724-L774 HydrophobicContact CZ-CG 4.25Å; V741-L774 HydrophobicContact CG1-CD1 4.12Å; V741-L774 HydrophobicContact CG1-CD2 4.18Å; V741-L774 HydrophobicContact CG1-CG 3.95Å; V742-L774 CarbonylContact O-C 3.59Å; V742-L774 WeakPolarHBondContact O-CA 3.11Å; L774-M776 HydrophobicContact CD2-CG 3.46Å; L774-M776 VanDerWaalsContact CD2-CG 3.46Å; L774-M776 HydrophobicContact CD2-SD 4.24Å; L774-A797 CarbonylContact O-C 3.53Å; L774-A797 VanDerWaalsContact O-CA 3.29Å; L774-A797 WeakPolarHBondContact O-CA 3.39Å; L774-F798 HydrophobicContact CD2-CD2 4.17Å; L774-F798 PolarHBondContact N-O 3.4Å; L774-F798 PolarHBondContact O-N 3.32Å; L774-M800 HydrophobicContact CB-CE 3.85Å
775	I	98.6	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.5	176	-55.5	168	0	0	0	107.8	V741 V742 F773 A797 V830 I833 F841 Y842	V741-I775 CarbonylContact C-O 3.57Å; V741-I775 WeakPolarHBondContact CA-O 3.23Å; V742-I775 HydrophobicContact CB-CB 4.41Å; V742-I775 PolarHBondContact N-O 2.82Å; V742-I775 PolarHBondContact O-N 3.13Å; F773-I775 HydrophobicContact CD2-CD1 4.32Å; F773-I775 HydrophobicContact CD2-CG1 4.18Å; F773-I775 HydrophobicContact CE2-CD1 4.26Å; F773-I775 HydrophobicContact CE2-CG1 4.49Å; I775-A797 HydrophobicContact CG1-CB 4.3Å; I775-V830 HydrophobicContact CD1-CG1 3.93Å; I775-V830 HydrophobicContact CD1-CG2 4.45Å; I775-V830 HydrophobicContact CG2-CG2 4.04Å; I775-I833 HydrophobicContact CD1-CD1 4Å; I775-I833 HydrophobicContact CD1-CG2 4.23Å; I775-I833 HydrophobicContact CG1-CD1 3.49Å; I775-I833 VanDerWaalsContact CG1-CD1 3.49Å; I775-F841 HydrophobicContact CD1-CD1 4.23Å; I775-F841 HydrophobicContact CD1-CD2 3.96Å; I775-F841 HydrophobicContact CD1-CE1 4.04Å; I775-F841 HydrophobicContact CD1-CE2 3.75Å; I775-F841 HydrophobicContact CD1-CG 4.2Å; I775-F841 HydrophobicContact CD1-CZ 3.79Å; I775-Y842 VanDerWaalsContact CG2-OH 3.25Å; I775-Y842 WeakPolarHBondContact CG2-OH 3.27Å
776	M	97.8	Very high	94.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.3	168.1	-59.5	-177.9	-59.5	0	0	109	F724 L729 Y732 N740 L774 A795 I796 F798	F724-M776 HydrophobicContact CE2-SD 4.46Å; F724-M776 HydrophobicContact CZ-SD 3.82Å; L729-M776 HydrophobicContact CD1-CG 4.45Å; L729-M776 HydrophobicContact CD1-SD 3.82Å; Y732-M776 HydrophobicContact CD1-CE 4.07Å; Y732-M776 HydrophobicContact CD2-CE 3.52Å; Y732-M776 HydrophobicContact CD2-SD 3.79Å; Y732-M776 HydrophobicContact CE1-CE 4.18Å; Y732-M776 HydrophobicContact CE2-CE 3.64Å; Y732-M776 HydrophobicContact CE2-SD 4.44Å; Y732-M776 HydrophobicContact CG-CE 3.75Å; Y732-M776 HydrophobicContact CG-SD 3.98Å; N740-M776 CarbonylContact O-C 3.58Å; N740-M776 WeakPolarHBondContact O-CA 3.47Å; L774-M776 HydrophobicContact CD2-CG 3.46Å; L774-M776 VanDerWaalsContact CD2-CG 3.46Å; L774-M776 HydrophobicContact CD2-SD 4.24Å; M776-A795 CarbonylContact O-C 3.51Å; M776-A795 VanDerWaalsContact O-CA 3.31Å; M776-A795 WeakPolarHBondContact O-CA 3.21Å; M776-I796 HydrophobicContact CB-CB 4.5Å; M776-I796 HydrophobicContact CE-CB 3.85Å; M776-I796 HydrophobicContact CE-CD1 4.16Å; M776-I796 HydrophobicContact CE-CG1 4.46Å; M776-I796 HydrophobicContact CE-CG2 4Å; M776-I796 PolarHBondContact N-O 3.27Å; M776-I796 PolarHBondContact O-N 3.45Å; M776-F798 HydrophobicContact CE-CE2 3.7Å; M776-F798 HydrophobicContact CE-CZ 4.24Å
777	T	97.9	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.7	178.4	-47.8	0	0	0	0	110.1	F609 N740 L793 Q794 Y842	F609-T777 HydrophobicContact CD2-CG2 3.96Å; F609-T777 HydrophobicContact CE2-CG2 3.38Å; F609-T777 HydrophobicContact CZ-CG2 3.83Å; N740-T777 PolarHBondContact N-O 3Å; N740-T777 PolarHBondContact O-N 3.16Å; T777-L793 HydrophobicContact CG2-CB 4.36Å; T777-L793 HydrophobicContact CG2-CD1 4.29Å; T777-Q794 WeakPolarHBondContact CA-O 3.41Å; T777-Y842 HydrophobicContact CG2-CE1 3.98Å; T777-Y842 PolarHBondContact OG1-OH 3.34Å
778	S	96.8	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	173.8	175.9	60.7	0	0	0	0	111.3	Q794	S778-Q794 PolarHBondContact N-O 2.91Å; S778-Q794 PolarHBondContact O-N 3.49Å; S778-Q794 WeakPolarHBondContact OG-CG 3.14Å; S778-Q794 PolarHBondContact OG-NE2 2.65Å
779	C	95.4	Very high	95.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.1	172.2	-155.3	0	0	0	0	109.9	N781 F784 C789 Q794	C779-N781 WeakPolarHBondContact CB-O 3.35Å; C779-N781 PolarHBondContact O-N 2.96Å; C779-F784 HydrophobicContact CB-CB 4.16Å; C779-C789 WeakPolarHBondContact CA-SG 3Å; C779-C789 HydrophobicContact CB-CB 3.54Å; C779-C789 WeakPolarHBondContact CB-SG 3.49Å; C779-C789 WeakPolarHBondContact SG-CA 3.5Å; C779-C789 WeakPolarHBondContact SG-CB 3.28Å; C779-C789 CovalentContact SG-SG 2.04Å; C779-C789 PolarHBondContact SG-SG 3.2Å; C779-Q794 PolarHBondContact O-NE2 2.86Å
780	R	92.6	Very high	95.1	Very high	180 Å²	180	38.7 Å²	38.7	68%	0.679	21%	0.205	S	C	*	.	S	Bend	trans	-65.7	-30.2	175.3	-169.2	176	-178.3	177.4	0.1	111.8	S782 P792	R780-S782 PolarHBondContact O-N 2.77Å; R780-P792 HydrophobicContact CB-CG 4.09Å; R780-P792 WeakPolarHBondContact CB-O 3.21Å; R780-P792 PolarHBondContact N-O 3.49Å
781	N	92.9	Very high	94.6	Very high	71 Å²	71	39.6 Å²	39.6	38%	0.38	22%	0.221	S	C	.	.	S	Bend	trans	-85.3	104.5	166.9	-176.8	-8.3	0	0	0	109	C779 S783 F784	C779-N781 WeakPolarHBondContact CB-O 3.35Å; C779-N781 PolarHBondContact O-N 2.96Å; N781-S783 PolarHBondContact O-N 3.45Å; N781-S783 VanDerWaalsContact OD1-CB 3.27Å; N781-S783 WeakPolarHBondContact OD1-CB 3.32Å; N781-S783 PolarHBondContact OD1-N 2.87Å; N781-S783 PolarHBondContact OD1-OG 3.38Å; N781-S783 VanDerWaalsContact OD1-OG 3.12Å; N781-F784 HydrophobicContact CB-CD2 4.05Å; N781-F784 WeakPolarHBondContact ND2-CE2 3.39Å; N781-F784 PolarHBondContact O-N 3.25Å
782	S	89.8	Confident	94.3	Very high	72 Å²	72	42.5 Å²	42.5	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.9	-178.4	56.5	0	0	0	0	114.2	N737 R780 F784	N737-S782 WeakPolarHBondContact CB-O 3.27Å; N737-S782 PolarHBondContact ND2-O 2.66Å; R780-S782 PolarHBondContact O-N 2.77Å; S782-F784 PolarHBondContact O-N 3.36Å
783	S	91.8	Very high	94.1	Very high	94 Å²	94	43.5 Å²	43.5	66%	0.657	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.4	170.7	-55.6	0	0	0	0	112.8	N781	N781-S783 PolarHBondContact O-N 3.45Å; N781-S783 VanDerWaalsContact OD1-CB 3.27Å; N781-S783 WeakPolarHBondContact OD1-CB 3.32Å; N781-S783 PolarHBondContact OD1-N 2.87Å; N781-S783 PolarHBondContact OD1-OG 3.38Å; N781-S783 VanDerWaalsContact OD1-OG 3.12Å
784	F	93.8	Very high	94	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.189	26%	0.26	C	S	.	.	S	Bend	trans	-111	146.7	179.3	-61.3	-85.6	0	0	0	111.5	C779 N781 S782 N788 E790	C779-F784 HydrophobicContact CB-CB 4.16Å; N781-F784 HydrophobicContact CB-CD2 4.05Å; N781-F784 WeakPolarHBondContact ND2-CE2 3.39Å; N781-F784 PolarHBondContact O-N 3.25Å; S782-F784 PolarHBondContact O-N 3.36Å; F784-N788 WeakPolarHBondContact CD1-O 3.44Å; F784-E790 HydrophobicContact CD1-CB 4.29Å; F784-E790 HydrophobicContact CD1-CG 4.13Å; F784-E790 HydrophobicContact CD2-CB 4.23Å; F784-E790 HydrophobicContact CE1-CB 3.93Å; F784-E790 VanDerWaalsContact CE1-CD 3.44Å; F784-E790 HydrophobicContact CE1-CG 3.67Å; F784-E790 HydrophobicContact CE2-CB 3.87Å; F784-E790 HydrophobicContact CG-CB 4.44Å; F784-E790 HydrophobicContact CZ-CB 3.7Å; F784-E790 HydrophobicContact CZ-CG 3.89Å; F784-E790 VanDerWaalsContact CZ-OE2 3.31Å; F784-E790 WeakPolarHBondContact CZ-OE2 3.47Å
785	S	93	Very high	93.9	Very high	15 Å²	15	47 Å²	47	11%	0.105	26%	0.264	C	S	.	.			trans	-79.3	165.9	171.2	83.3	0	0	0	0	110.6	V787 N788 C789	S785-V787 PolarHBondContact O-N 3.43Å; S785-V787 VanDerWaalsContact O-N 3.12Å; S785-V787 PolarHBondContact OG-N 2.98Å; S785-N788 WeakPolarHBondContact CA-OD1 3.4Å; S785-N788 WeakPolarHBondContact CB-OD1 3.4Å; S785-N788 PolarHBondContact N-OD1 3.36Å; S785-N788 CarbonylContact O-C 3.56Å; S785-N788 PolarHBondContact O-N 3.14Å; S785-N788 PolarHBondContact O-OD1 3.21Å; S785-N788 PolarHBondContact OG-OD1 3.11Å; S785-C789 WeakPolarHBondContact O-CA 3.36Å; S785-C789 PolarHBondContact O-N 2.04Å
786	P	94	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.9	-29.1	174.9	-20.7	28.9	0	0	0	113.7	F609 G738 N740	F609-P786 WeakPolarHBondContact CE1-O 3.39Å; F609-P786 HydrophobicContact CZ-CB 4.17Å; F609-P786 WeakPolarHBondContact CZ-O 3.5Å; G738-P786 VanDerWaalsContact C-CG 3.46Å; G738-P786 WeakPolarHBondContact O-CD 3.49Å; G738-P786 VanDerWaalsContact O-CG 3.24Å; G738-P786 WeakPolarHBondContact O-CG 3.33Å; N740-P786 HydrophobicContact CB-CB 4.22Å
787	V	93.4	Very high	93.8	Very high	35 Å²	35	47.4 Å²	47.4	21%	0.212	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-80	-26.4	-174.6	-174.4	0	0	0	0	112.5	L605 T646 S785 R845	L605-V787 HydrophobicContact CD1-CG2 3.91Å; T646-V787 HydrophobicContact CG2-CG2 3.69Å; S785-V787 PolarHBondContact O-N 3.43Å; S785-V787 VanDerWaalsContact O-N 3.12Å; S785-V787 PolarHBondContact OG-N 2.98Å; V787-R845 PolarHBondContact O-NH1 3.41Å; V787-R845 PolarHBondContact O-NH2 3.36Å
788	N	92.4	Very high	93.9	Very high	93 Å²	93	47.5 Å²	47.5	50%	0.497	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-125.8	29.5	-178.8	68.2	-25.5	0	0	0	111.7	F784 S785 E790	F784-N788 WeakPolarHBondContact CD1-O 3.44Å; S785-N788 WeakPolarHBondContact CA-OD1 3.4Å; S785-N788 WeakPolarHBondContact CB-OD1 3.4Å; S785-N788 PolarHBondContact N-OD1 3.36Å; S785-N788 CarbonylContact O-C 3.56Å; S785-N788 PolarHBondContact O-N 3.14Å; S785-N788 PolarHBondContact O-OD1 3.21Å; S785-N788 PolarHBondContact OG-OD1 3.11Å; N788-E790 PolarHBondContact O-N 3.25Å
789	C	92.8	Very high	94	Very high	28 Å²	28	47.6 Å²	47.6	19%	0.189	27%	0.268	C	S	.	.			trans	-59.6	124.8	-178.2	-179.5	0	0	0	0	111.4	C779 S785 L793	C779-C789 WeakPolarHBondContact CA-SG 3Å; C779-C789 HydrophobicContact CB-CB 3.54Å; C779-C789 WeakPolarHBondContact CB-SG 3.49Å; C779-C789 WeakPolarHBondContact SG-CA 3.5Å; C779-C789 WeakPolarHBondContact SG-CB 3.28Å; C779-C789 CovalentContact SG-SG 2.04Å; C779-C789 PolarHBondContact SG-SG 3.2Å; S785-C789 WeakPolarHBondContact O-CA 3.36Å; S785-C789 PolarHBondContact O-N 2.04Å; C789-L793 HydrophobicContact CB-CD2 3.98Å
790	E	90.9	Very high	94.1	Very high	135 Å²	135	47.6 Å²	47.6	63%	0.631	27%	0.268	S	S	*	.			trans	-105.7	120.3	166.8	-64.8	-178.4	-171	0	0	108.9	F784 N788	F784-E790 HydrophobicContact CD1-CB 4.29Å; F784-E790 HydrophobicContact CD1-CG 4.13Å; F784-E790 HydrophobicContact CD2-CB 4.23Å; F784-E790 HydrophobicContact CE1-CB 3.93Å; F784-E790 VanDerWaalsContact CE1-CD 3.44Å; F784-E790 HydrophobicContact CE1-CG 3.67Å; F784-E790 HydrophobicContact CE2-CB 3.87Å; F784-E790 HydrophobicContact CG-CB 4.44Å; F784-E790 HydrophobicContact CZ-CB 3.7Å; F784-E790 HydrophobicContact CZ-CG 3.89Å; F784-E790 VanDerWaalsContact CZ-OE2 3.31Å; F784-E790 WeakPolarHBondContact CZ-OE2 3.47Å; N788-E790 PolarHBondContact O-N 3.25Å
791	G	87.9	Confident	94.3	Very high	52 Å²	52	39.1 Å²	39.1	54%	0.536	24%	0.236	S	C	.	.	S	Bend	trans	99.6	-162.4	-176.5	0	0	0	0	0	113.4
792	P	92.4	Very high	94.5	Very high	72 Å²	72	36.1 Å²	36.1	47%	0.468	22%	0.22	S	C	.	.			trans	-71.4	139.6	-169.2	26.6	-32.5	0	0	0	112	R780	R780-P792 HydrophobicContact CB-CG 4.09Å; R780-P792 WeakPolarHBondContact CB-O 3.21Å; R780-P792 PolarHBondContact N-O 3.49Å
793	L	95.4	Very high	94.7	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	158.6	168.2	-58.9	179.7	0	0	0	110.7	F609 T777 C789 I846 L854	F609-L793 HydrophobicContact CD1-CD1 3.59Å; F609-L793 HydrophobicContact CD1-CD2 4.29Å; F609-L793 HydrophobicContact CE1-CD1 3.64Å; F609-L793 HydrophobicContact CE1-CD2 3.5Å; F609-L793 VanDerWaalsContact CE1-CD2 3.5Å; F609-L793 HydrophobicContact CE1-CG 4.24Å; F609-L793 HydrophobicContact CG-CD1 4.12Å; F609-L793 HydrophobicContact CZ-CD1 4.2Å; F609-L793 HydrophobicContact CZ-CD2 3.84Å; T777-L793 HydrophobicContact CG2-CB 4.36Å; T777-L793 HydrophobicContact CG2-CD1 4.29Å; C789-L793 HydrophobicContact CB-CD2 3.98Å; L793-I846 HydrophobicContact CD1-CD1 4.1Å; L793-I846 HydrophobicContact CD1-CG2 4.19Å; L793-I846 HydrophobicContact CG-CG2 4.43Å; L793-L854 HydrophobicContact CB-CD1 4.33Å; L793-L854 HydrophobicContact CB-CD2 3.93Å; L793-L854 HydrophobicContact CD1-CD2 4.13Å
794	Q	95.2	Very high	94.8	Very high	61 Å²	61	34.8 Å²	34.8	29%	0.285	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.4	164.2	64.6	-175.3	-14.3	0	0	109.4	T777 S778 C779	T777-Q794 WeakPolarHBondContact CA-O 3.41Å; S778-Q794 PolarHBondContact N-O 2.91Å; S778-Q794 PolarHBondContact O-N 3.49Å; S778-Q794 WeakPolarHBondContact OG-CG 3.14Å; S778-Q794 PolarHBondContact OG-NE2 2.65Å; C779-Q794 PolarHBondContact O-NE2 2.86Å
795	A	96.6	Very high	94.6	Very high	11 Å²	11	36.8 Å²	36.8	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.1	180	0	0	0	0	0	110.5	M776 V830 L854	M776-A795 CarbonylContact O-C 3.51Å; M776-A795 VanDerWaalsContact O-CA 3.31Å; M776-A795 WeakPolarHBondContact O-CA 3.21Å; A795-V830 HydrophobicContact CB-CG2 4.02Å; A795-L854 HydrophobicContact CB-CD1 3.85Å; A795-L854 HydrophobicContact CB-CG 4.24Å
796	I	97.4	Very high	94.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.3	171.7	-45.5	-173.1	0	0	0	106.6	Y732 L736 M776 F798 I827	Y732-I796 HydrophobicContact CD1-CD1 4.19Å; Y732-I796 HydrophobicContact CE1-CD1 3.75Å; L736-I796 HydrophobicContact CD1-CD1 4.4Å; M776-I796 HydrophobicContact CB-CB 4.5Å; M776-I796 HydrophobicContact CE-CB 3.85Å; M776-I796 HydrophobicContact CE-CD1 4.16Å; M776-I796 HydrophobicContact CE-CG1 4.46Å; M776-I796 HydrophobicContact CE-CG2 4Å; M776-I796 PolarHBondContact N-O 3.27Å; M776-I796 PolarHBondContact O-N 3.45Å; I796-F798 HydrophobicContact CG2-CE1 4.17Å; I796-F798 HydrophobicContact CG2-CE2 3.95Å; I796-F798 HydrophobicContact CG2-CZ 3.55Å; I796-I827 HydrophobicContact CG2-CD1 4.43Å
797	A	98.4	Very high	94.1	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142	-173.5	0	0	0	0	0	111.5	L774 I775 I827 A828 V830 I833	L774-A797 CarbonylContact O-C 3.53Å; L774-A797 VanDerWaalsContact O-CA 3.29Å; L774-A797 WeakPolarHBondContact O-CA 3.39Å; I775-A797 HydrophobicContact CG1-CB 4.3Å; A797-I827 WeakPolarHBondContact O-CG1 3.13Å; A797-A828 WeakPolarHBondContact CB-O 3.49Å; A797-A828 PolarHBondContact O-N 3.14Å; A797-V830 HydrophobicContact CB-CG2 4.1Å; A797-I833 HydrophobicContact CB-CD1 3.67Å
798	F	98.4	Very high	93.8	Very high	2 Å²	2	40 Å²	40	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	179.3	-53.3	-72.2	0	0	0	110.5	F724 F773 L774 M776 I796 M800 L823 I827	F724-F798 HydrophobicContact CE2-CE2 4.23Å; F773-F798 VanDerWaalsContact CA-O 3.31Å; F773-F798 WeakPolarHBondContact CA-O 3.27Å; L774-F798 HydrophobicContact CD2-CD2 4.17Å; L774-F798 PolarHBondContact N-O 3.4Å; L774-F798 PolarHBondContact O-N 3.32Å; M776-F798 HydrophobicContact CE-CE2 3.7Å; M776-F798 HydrophobicContact CE-CZ 4.24Å; I796-F798 HydrophobicContact CG2-CE1 4.17Å; I796-F798 HydrophobicContact CG2-CE2 3.95Å; I796-F798 HydrophobicContact CG2-CZ 3.55Å; F798-M800 HydrophobicContact CB-CG 4.32Å; F798-L823 HydrophobicContact CB-CD2 4.34Å; F798-L823 HydrophobicContact CD1-CB 4.05Å; F798-L823 HydrophobicContact CD1-CD2 4.21Å; F798-L823 VanDerWaalsContact CD1-O 3.23Å; F798-L823 WeakPolarHBondContact CD1-O 3.16Å; F798-L823 HydrophobicContact CD2-CD2 4.48Å; F798-L823 HydrophobicContact CE1-CB 3.91Å; F798-L823 WeakPolarHBondContact CE1-O 3.45Å; F798-L823 HydrophobicContact CG-CD2 4.1Å; F798-L823 HydrophobicContact CZ-CB 4.46Å; F798-I827 HydrophobicContact CE1-CD1 4.32Å; F798-I827 HydrophobicContact CE1-CG1 4.43Å
799	I	98.8	Very high	93.4	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	99	167.9	-63.8	163.8	0	0	0	107.3	K444 I746 H771 H826 A828 D832 I833 L836	K444-I799 HydrophobicContact CB-CD1 4.04Å; K444-I799 HydrophobicContact CB-CG2 4.2Å; K444-I799 HydrophobicContact CG-CG2 3.93Å; I746-I799 HydrophobicContact CD1-CG1 4.18Å; I746-I799 HydrophobicContact CD1-CG2 3.84Å; H771-I799 HydrophobicContact CB-CG2 3.84Å; I799-H826 PolarHBondContact N-O 2.97Å; I799-H826 VanDerWaalsContact N-O 3.09Å; I799-H826 WeakPolarHBondContact O-CB 3.35Å; I799-A828 HydrophobicContact CB-CB 4.36Å; I799-A828 HydrophobicContact CD1-CB 3.45Å; I799-A828 VanDerWaalsContact CD1-CB 3.45Å; I799-A828 HydrophobicContact CG1-CB 3.69Å; I799-D832 HydrophobicContact CD1-CB 3.78Å; I799-I833 HydrophobicContact CD1-CG1 4.08Å; I799-I833 HydrophobicContact CG1-CG1 3.77Å; I799-L836 HydrophobicContact CD1-CD1 3.51Å; I799-L836 HydrophobicContact CG1-CD1 4.38Å; I799-L836 HydrophobicContact CG2-CD1 4.32Å
800	M	98.1	Very high	92.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.7	-171	-71.4	174.4	-77.3	0	0	110.7	F717 W721 H771 F772 L774 F798 H802 W822 L823	F717-M800 HydrophobicContact CE2-CB 3.88Å; F717-M800 HydrophobicContact CZ-CB 3.9Å; W721-M800 HydrophobicContact CE3-CE 4.05Å; W721-M800 HydrophobicContact CZ3-CE 3.56Å; H771-M800 CarbonylContact C-O 3.53Å; H771-M800 WeakPolarHBondContact CA-O 3.23Å; H771-M800 VanDerWaalsContact CB-O 3.27Å; H771-M800 WeakPolarHBondContact CB-O 3.47Å; F772-M800 HydrophobicContact CB-CE 4.45Å; F772-M800 PolarHBondContact N-O 3.28Å; F772-M800 WeakPolarHBondContact O-CB 3.37Å; F772-M800 PolarHBondContact O-N 3.45Å; L774-M800 HydrophobicContact CB-CE 3.85Å; F798-M800 HydrophobicContact CB-CG 4.32Å; M800-H802 PolarHBondContact O-N 2.95Å; M800-W822 HydrophobicContact CB-CH2 3.6Å; M800-W822 HydrophobicContact CB-CZ2 4.38Å; M800-W822 HydrophobicContact CB-CZ3 4.16Å; M800-W822 HydrophobicContact CG-CH2 3.7Å; M800-W822 HydrophobicContact CG-CZ3 3.71Å; M800-W822 HydrophobicContact SD-CH2 4.33Å; M800-W822 HydrophobicContact SD-CZ3 4.04Å; M800-L823 HydrophobicContact CG-CD2 3.77Å; M800-L823 HydrophobicContact SD-CD2 3.61Å
801	P	97.4	Very high	92.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130.3	176.9	26.3	-34.1	0	0	0	111.1	F717 H771 K803 W822	F717-P801 WeakPolarHBondContact CD2-O 3.29Å; F717-P801 WeakPolarHBondContact CE2-O 3.49Å; H771-P801 WeakPolarHBondContact CD2-CA 3.48Å; P801-K803 HydrophobicContact CB-CG 4.25Å; P801-K803 PolarHBondContact O-N 3.07Å; P801-W822 HydrophobicContact CG-CZ2 3.75Å
802	H	97.5	Very high	91.5	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.042	21%	0.206	C	C	.	.			trans	-87.3	94.6	-177.6	-176.3	-145.5	0	0	0	109.5	P712 M713 F714 F717 P769 T770 F772 M800	P712-H802 PolarHBondContact O-CE1 2.84Å; M713-H802 VanDerWaalsContact CA-NE2 3.26Å; M713-H802 WeakPolarHBondContact CA-NE2 3.25Å; F714-H802 AromaticContact CD2-CD2 3.51Å; F714-H802 AromaticContact CD2-CE1 3.61Å; F714-H802 AromaticContact CD2-CG 3.94Å; F714-H802 AromaticContact CD2-ND1 3.99Å; F714-H802 AromaticContact CD2-NE2 3.26Å; F714-H802 VanDerWaalsContact CD2-NE2 3.26Å; F714-H802 WeakPolarHBondContact CD2-NE2 3.49Å; F714-H802 AromaticContact CE2-CE1 3.86Å; F714-H802 AromaticContact CE2-ND1 3.99Å; F714-H802 AromaticContact CE2-NE2 3.98Å; F714-H802 WeakPolarHBondContact CE2-O 3.49Å; F714-H802 AromaticContact CG-NE2 3.81Å; F714-H802 PolarHBondContact N-NE2 3.46Å; F717-H802 AromaticContact CD1-CD2 3.76Å; F717-H802 AromaticContact CG-CD2 3.59Å; P769-H802 PolarHBondContact O-ND1 3.21Å; T770-H802 VanDerWaalsContact O-CB 3.3Å; T770-H802 WeakPolarHBondContact O-CB 3.48Å; T770-H802 PolarHBondContact O-N 3.46Å; F772-H802 HydrophobicContact CD2-CB 4.23Å; F772-H802 HydrophobicContact CE2-CB 4.34Å; F772-H802 AromaticContact CE2-CD2 3.88Å; F772-H802 AromaticContact CE2-CG 3.8Å; F772-H802 AromaticContact CE2-ND1 3.94Å; M800-H802 PolarHBondContact O-N 2.95Å
803	K	93.6	Very high	90.2	Very high	65 Å²	65	39 Å²	39	28%	0.283	22%	0.222	S	C	.	.			trans	-117.1	150.3	-171.8	-66.5	-66.2	-179.5	-173	0	113.2	N441 F714 P801 D805	N441-K803 PolarHBondContact ND2-NZ 3.44Å; N441-K803 PolarHBondContact OD1-NZ 3.16Å; F714-K803 WeakPolarHBondContact CB-O 3.18Å; F714-K803 WeakPolarHBondContact CD2-O 3.49Å; P801-K803 HydrophobicContact CB-CG 4.25Å; P801-K803 PolarHBondContact O-N 3.07Å; K803-D805 VanDerWaalsContact C-N 3.32Å
804	P	92.9	Very high	88.8	Confident	73 Å²	73	43.5 Å²	43.5	47%	0.474	26%	0.255	S	S	.	.	S	Bend	trans	-78.8	-11.4	179.5	32.6	-36.3	0	0	0	114.4	F714 A716	F714-P804 HydrophobicContact CD1-CB 3.75Å; F714-P804 HydrophobicContact CD2-CB 4.41Å; F714-P804 HydrophobicContact CE1-CB 4Å; F714-P804 HydrophobicContact CG-CB 3.99Å; F714-P804 HydrophobicContact CZ-CB 4.45Å; A716-P804 WeakPolarHBondContact CB-O 3.48Å
805	D	90.8	Very high	88.1	Confident	84 Å²	84	44.6 Å²	44.6	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	-146.1	175	-174.2	62.1	48.4	0	0	0	112.1	K803 S807	K803-D805 VanDerWaalsContact C-N 3.32Å; D805-S807 WeakPolarHBondContact OD1-CB 3.3Å; D805-S807 PolarHBondContact OD1-N 3.19Å; D805-S807 PolarHBondContact OD1-OG 2.92Å
806	Y	89.9	Confident	87.8	Confident	25 Å²	25	45.7 Å²	45.7	10%	0.098	27%	0.267	C	S	.	.	S	Bend	trans	-96.7	19.1	179.4	-53.2	-51.7	0	0	0	113.8	A716 E719 V720 E808 F809 C810 E813 W818	A716-Y806 WeakPolarHBondContact CA-OH 3.23Å; A716-Y806 HydrophobicContact CB-CD1 4.3Å; A716-Y806 HydrophobicContact CB-CE1 3.68Å; A716-Y806 HydrophobicContact CB-CE2 4.31Å; A716-Y806 WeakPolarHBondContact O-CE1 3.46Å; A716-Y806 PolarHBondContact O-OH 3.34Å; A716-Y806 VanDerWaalsContact O-OH 3.04Å; E719-Y806 WeakPolarHBondContact CB-OH 3.4Å; E719-Y806 PolarHBondContact OE2-OH 3.33Å; V720-Y806 HydrophobicContact CG2-CD1 4.41Å; V720-Y806 HydrophobicContact CG2-CE1 3.78Å; Y806-E808 PolarHBondContact O-N 3.49Å; Y806-E808 VanDerWaalsContact O-N 3.13Å; Y806-F809 PolarHBondContact O-N 3.22Å; Y806-C810 PolarHBondContact O-N 3.48Å; Y806-E813 HydrophobicContact CD2-CG 4.25Å; Y806-E813 HydrophobicContact CE2-CB 4.47Å; Y806-E813 HydrophobicContact CE2-CG 4.34Å; Y806-W818 AromaticContact CD1-CH2 3.9Å; Y806-W818 HydrophobicContact CD1-CH2 3.9Å; Y806-W818 AromaticContact CD1-CZ2 3.49Å; Y806-W818 HydrophobicContact CD1-CZ2 3.49Å; Y806-W818 VanDerWaalsContact CD1-CZ2 3.49Å; Y806-W818 HydrophobicContact CE1-CH2 4.45Å; Y806-W818 AromaticContact CE1-CZ2 3.96Å; Y806-W818 HydrophobicContact CE1-CZ2 3.96Å; Y806-W818 HydrophobicContact CG-CZ2 4.09Å
807	S	85.7	Confident	87.3	Confident	60 Å²	60	49.4 Å²	49.4	42%	0.42	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24	-171.1	61.6	0	0	0	0	114.1	C427 D805 F809	C427-S807 PolarHBondContact SG-O 3.5Å; C427-S807 VanDerWaalsContact SG-O 3.37Å; D805-S807 WeakPolarHBondContact OD1-CB 3.3Å; D805-S807 PolarHBondContact OD1-N 3.19Å; D805-S807 PolarHBondContact OD1-OG 2.92Å; S807-F809 VanDerWaalsContact C-N 3.3Å; S807-F809 PolarHBondContact O-N 3.02Å
808	E	88.1	Confident	87	Confident	33 Å²	33	50.7 Å²	50.7	15%	0.154	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.4	179.3	-166.8	-174.1	158	0	0	113.4	Y437 Y806 W822 H826	Y437-E808 HydrophobicContact CE1-CG 3.71Å; Y437-E808 WeakPolarHBondContact OH-CG 3.21Å; Y437-E808 PolarHBondContact OH-OE1 2.99Å; Y806-E808 PolarHBondContact O-N 3.49Å; Y806-E808 VanDerWaalsContact O-N 3.13Å; E808-W822 PolarHBondContact OE2-NE1 3.42Å; E808-H826 IonicContact OE1-CD2 2.58Å; E808-H826 IonicContact OE1-CE1 2.66Å; E808-H826 IonicContact OE1-NE2 2.84Å; E808-H826 PolarHBondContact OE1-NE2 3.03Å; E808-H826 IonicContact OE2-NE2 2.66Å; E808-H826 PolarHBondContact OE2-NE2 2.97Å
809	F	84	Confident	86.8	Confident	30 Å²	30	50.6 Å²	50.6	13%	0.132	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	3.9	-178.8	-97	-102.7	0	0	0	113.8	K435 Y806 S807 A811 W818 E821 W822 F825	K435-F809 VanDerWaalsContact NZ-CE1 3.3Å; K435-F809 VanDerWaalsContact NZ-CZ 3.28Å; Y806-F809 PolarHBondContact O-N 3.22Å; S807-F809 VanDerWaalsContact C-N 3.3Å; S807-F809 PolarHBondContact O-N 3.02Å; F809-A811 PolarHBondContact O-N 3.34Å; F809-W818 HydrophobicContact CB-CD2 4.19Å; F809-W818 HydrophobicContact CB-CE3 3.85Å; F809-W818 HydrophobicContact CB-CZ3 4.41Å; F809-W818 HydrophobicContact CD1-CB 4.32Å; F809-W818 HydrophobicContact CD1-CE3 4.49Å; F809-W818 HydrophobicContact CD2-CE3 4.47Å; F809-W818 HydrophobicContact CG-CE3 4.02Å; F809-E821 HydrophobicContact CE1-CB 4.15Å; F809-E821 HydrophobicContact CE1-CG 4Å; F809-E821 HydrophobicContact CZ-CG 4.33Å; F809-W822 HydrophobicContact CD2-CB 3.88Å; F809-W822 AromaticContact CD2-CD1 3.45Å; F809-W822 VanDerWaalsContact CD2-CD1 3.45Å; F809-W822 HydrophobicContact CD2-CG 4.04Å; F809-W822 HydrophobicContact CE1-CB 4.45Å; F809-W822 HydrophobicContact CE2-CB 3.64Å; F809-W822 AromaticContact CE2-CD1 3.47Å; F809-W822 VanDerWaalsContact CE2-CD1 3.47Å; F809-W822 AromaticContact CE2-CG 3.95Å; F809-W822 HydrophobicContact CE2-CG 3.95Å; F809-W822 HydrophobicContact CG-CB 4.37Å; F809-W822 HydrophobicContact CZ-CB 3.93Å; F809-F825 HydrophobicContact CE2-CD1 4.35Å; F809-F825 HydrophobicContact CZ-CB 4.4Å
810	C	82	Confident	86.5	Confident	66 Å²	66	55.4 Å²	55.4	45%	0.446	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	33.3	176.7	-55.1	0	0	0	0	113.5	C427 Y806	C427-C810 WeakPolarHBondContact CA-SG 3.32Å; C427-C810 HydrophobicContact CB-CB 3.59Å; C427-C810 WeakPolarHBondContact CB-SG 3.31Å; C427-C810 PolarHBondContact N-SG 3.49Å; C427-C810 WeakPolarHBondContact SG-CA 3.5Å; C427-C810 WeakPolarHBondContact SG-CB 3.34Å; C427-C810 CovalentContact SG-SG 2.03Å; C427-C810 PolarHBondContact SG-SG 3.36Å; Y806-C810 PolarHBondContact O-N 3.48Å
811	A	77.6	Confident	86.2	Confident	26 Å²	26	61.1 Å²	61.1	22%	0.215	35%	0.345	C	S	.	.			trans	-84.2	148.8	-178.8	0	0	0	0	0	111.7	F809 W818	F809-A811 PolarHBondContact O-N 3.34Å; A811-W818 HydrophobicContact CB-CD2 4.2Å; A811-W818 HydrophobicContact CB-CG 3.92Å
812	A	71.1	Confident	86	Confident	68 Å²	68	61.5 Å²	61.5	56%	0.562	35%	0.346	S	S	*	.			trans	-75.9	151.3	168.7	0	0	0	0	0	110.4	S814 D815	A812-S814 PolarHBondContact O-N 3.02Å; A812-D815 PolarHBondContact O-N 3.49Å
813	E	64.5	Low	85.9	Confident	170 Å²	170	61.2 Å²	61.2	79%	0.794	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	19.9	-171.9	-65.3	178.9	165.5	0	0	116	Y806	Y806-E813 HydrophobicContact CD2-CG 4.25Å; Y806-E813 HydrophobicContact CE2-CB 4.47Å; Y806-E813 HydrophobicContact CE2-CG 4.34Å
814	S	66.9	Low	86	Confident	115 Å²	115	63.1 Å²	63.1	80%	0.804	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.4	-7.5	-179.8	59.7	0	0	0	0	115.3	A812	A812-S814 PolarHBondContact O-N 3.02Å
815	D	80.9	Confident	86.1	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.444	33%	0.331	S	S	.	.			trans	-105.6	115.3	175.7	-178.1	6.4	0	0	0	109.3	A812 S817 W818	A812-D815 PolarHBondContact O-N 3.49Å; D815-S817 VanDerWaalsContact CG-OG 3.25Å; D815-S817 WeakPolarHBondContact OD1-CB 3.44Å; D815-S817 PolarHBondContact OD1-N 3.48Å; D815-S817 PolarHBondContact OD1-OG 3.34Å; D815-S817 PolarHBondContact OD2-OG 3.09Å; D815-S817 VanDerWaalsContact OD2-OG 3.09Å; D815-W818 PolarHBondContact O-NE1 3.49Å
816	L	89.7	Confident	86.4	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.183	31%	0.31	C	S	.	.			trans	-104.8	11.8	176.8	-63.7	174.8	0	0	0	112.6	E719 V720 H723 W818 V819	E719-L816 HydrophobicContact CB-CD1 4.42Å; V720-L816 HydrophobicContact CG2-CD2 4.42Å; H723-L816 HydrophobicContact CB-CB 4.29Å; H723-L816 HydrophobicContact CB-CD1 3.62Å; L816-W818 HydrophobicContact CD2-CZ2 4.13Å; L816-W818 PolarHBondContact O-N 2.94Å; L816-V819 HydrophobicContact CB-CG2 4.01Å; L816-V819 HydrophobicContact CD2-CG2 4.03Å; L816-V819 WeakPolarHBondContact O-CB 3.48Å; L816-V819 VanDerWaalsContact O-CG2 3.31Å; L816-V819 WeakPolarHBondContact O-CG2 3.34Å; L816-V819 PolarHBondContact O-N 3.14Å; L816-V819 VanDerWaalsContact O-N 3.13Å
817	S	88.1	Confident	86.8	Confident	86 Å²	86	55.6 Å²	55.6	60%	0.601	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27	178.7	67.3	0	0	0	0	113.3	D815 V819	D815-S817 VanDerWaalsContact CG-OG 3.25Å; D815-S817 WeakPolarHBondContact OD1-CB 3.44Å; D815-S817 PolarHBondContact OD1-N 3.48Å; D815-S817 PolarHBondContact OD1-OG 3.34Å; D815-S817 PolarHBondContact OD2-OG 3.09Å; D815-S817 VanDerWaalsContact OD2-OG 3.09Å; S817-V819 VanDerWaalsContact C-N 3.31Å; S817-V819 PolarHBondContact O-N 2.99Å
818	W	90.3	Very high	87.4	Confident	29 Å²	29	52.9 Å²	52.9	11%	0.11	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.8	177.1	62.2	-91.6	0	0	0	113.9	V720 Y806 F809 A811 D815 L816 K820 E821 W822	V720-W818 HydrophobicContact CG2-CH2 3.67Å; V720-W818 HydrophobicContact CG2-CZ2 3.91Å; Y806-W818 AromaticContact CD1-CH2 3.9Å; Y806-W818 HydrophobicContact CD1-CH2 3.9Å; Y806-W818 AromaticContact CD1-CZ2 3.49Å; Y806-W818 HydrophobicContact CD1-CZ2 3.49Å; Y806-W818 VanDerWaalsContact CD1-CZ2 3.49Å; Y806-W818 HydrophobicContact CE1-CH2 4.45Å; Y806-W818 AromaticContact CE1-CZ2 3.96Å; Y806-W818 HydrophobicContact CE1-CZ2 3.96Å; Y806-W818 HydrophobicContact CG-CZ2 4.09Å; F809-W818 HydrophobicContact CB-CD2 4.19Å; F809-W818 HydrophobicContact CB-CE3 3.85Å; F809-W818 HydrophobicContact CB-CZ3 4.41Å; F809-W818 HydrophobicContact CD1-CB 4.32Å; F809-W818 HydrophobicContact CD1-CE3 4.49Å; F809-W818 HydrophobicContact CD2-CE3 4.47Å; F809-W818 HydrophobicContact CG-CE3 4.02Å; A811-W818 HydrophobicContact CB-CD2 4.2Å; A811-W818 HydrophobicContact CB-CG 3.92Å; D815-W818 PolarHBondContact O-NE1 3.49Å; L816-W818 HydrophobicContact CD2-CZ2 4.13Å; L816-W818 PolarHBondContact O-N 2.94Å; W818-K820 PolarHBondContact O-N 3.31Å; W818-K820 VanDerWaalsContact O-N 3.12Å; W818-E821 PolarHBondContact O-N 3.02Å; W818-W822 HydrophobicContact CE3-CB 3.55Å; W818-W822 HydrophobicContact CE3-CG 4.04Å; W818-W822 HydrophobicContact CZ3-CB 3.58Å; W818-W822 AromaticContact CZ3-CD1 3.99Å; W818-W822 AromaticContact CZ3-CD2 3.85Å; W818-W822 HydrophobicContact CZ3-CD2 3.85Å; W818-W822 HydrophobicContact CZ3-CE3 4.32Å; W818-W822 AromaticContact CZ3-CG 3.54Å; W818-W822 HydrophobicContact CZ3-CG 3.54Å; W818-W822 PolarHBondContact O-N 2.95Å
819	V	94.1	Very high	87.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-35.5	-173.1	173.6	0	0	0	0	111.5	V720 I728 L816 S817 E821 W822 L823	V720-V819 HydrophobicContact CG1-CG1 3.87Å; V720-V819 HydrophobicContact CG1-CG2 4.18Å; V720-V819 HydrophobicContact CG2-CG2 4.24Å; I728-V819 HydrophobicContact CD1-CB 4.31Å; I728-V819 HydrophobicContact CD1-CG1 3.72Å; L816-V819 HydrophobicContact CB-CG2 4.01Å; L816-V819 HydrophobicContact CD2-CG2 4.03Å; L816-V819 WeakPolarHBondContact O-CB 3.48Å; L816-V819 VanDerWaalsContact O-CG2 3.31Å; L816-V819 WeakPolarHBondContact O-CG2 3.34Å; L816-V819 PolarHBondContact O-N 3.14Å; L816-V819 VanDerWaalsContact O-N 3.13Å; S817-V819 VanDerWaalsContact C-N 3.31Å; S817-V819 PolarHBondContact O-N 2.99Å; V819-E821 PolarHBondContact O-N 3.43Å; V819-W822 HydrophobicContact CG1-CE3 4.46Å; V819-W822 PolarHBondContact O-N 3.34Å; V819-L823 HydrophobicContact CG1-CD1 3.95Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.17Å; V819-L823 VanDerWaalsContact O-CG 3.27Å; V819-L823 WeakPolarHBondContact O-CG 3.22Å; V819-L823 PolarHBondContact O-N 3.27Å
820	K	93	Very high	88.6	Confident	104 Å²	104	50 Å²	50	45%	0.452	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-40.8	176.9	-177.5	175.3	178.8	178.1	0	112.4	W818 R824	W818-K820 PolarHBondContact O-N 3.31Å; W818-K820 VanDerWaalsContact O-N 3.12Å; K820-R824 WeakPolarHBondContact O-CG 3.42Å; K820-R824 PolarHBondContact O-N 2.99Å
821	E	92.1	Very high	89.4	Confident	120 Å²	120	49.7 Å²	49.7	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-73.3	-38.5	177.6	-169.6	-179.5	158	0	0	111.3	F809 W818 V819 R824 F825	F809-E821 HydrophobicContact CE1-CB 4.15Å; F809-E821 HydrophobicContact CE1-CG 4Å; F809-E821 HydrophobicContact CZ-CG 4.33Å; W818-E821 PolarHBondContact O-N 3.02Å; V819-E821 PolarHBondContact O-N 3.43Å; E821-R824 WeakPolarHBondContact O-CB 3.13Å; E821-R824 PolarHBondContact O-N 3.32Å; E821-F825 PolarHBondContact O-N 3.47Å
822	W	94.1	Very high	90.4	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.038	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-41.4	174.3	174	84.5	0	0	0	113	F717 V720 M800 P801 E808 F809 W818 V819 R824 F825 H826	F717-W822 HydrophobicContact CE2-CH2 4.02Å; V720-W822 HydrophobicContact CG1-CE3 4.17Å; V720-W822 HydrophobicContact CG1-CH2 4Å; V720-W822 HydrophobicContact CG1-CZ3 3.54Å; M800-W822 HydrophobicContact CB-CH2 3.6Å; M800-W822 HydrophobicContact CB-CZ2 4.38Å; M800-W822 HydrophobicContact CB-CZ3 4.16Å; M800-W822 HydrophobicContact CG-CH2 3.7Å; M800-W822 HydrophobicContact CG-CZ3 3.71Å; M800-W822 HydrophobicContact SD-CH2 4.33Å; M800-W822 HydrophobicContact SD-CZ3 4.04Å; P801-W822 HydrophobicContact CG-CZ2 3.75Å; E808-W822 PolarHBondContact OE2-NE1 3.42Å; F809-W822 HydrophobicContact CD2-CB 3.88Å; F809-W822 AromaticContact CD2-CD1 3.45Å; F809-W822 VanDerWaalsContact CD2-CD1 3.45Å; F809-W822 HydrophobicContact CD2-CG 4.04Å; F809-W822 HydrophobicContact CE1-CB 4.45Å; F809-W822 HydrophobicContact CE2-CB 3.64Å; F809-W822 AromaticContact CE2-CD1 3.47Å; F809-W822 VanDerWaalsContact CE2-CD1 3.47Å; F809-W822 AromaticContact CE2-CG 3.95Å; F809-W822 HydrophobicContact CE2-CG 3.95Å; F809-W822 HydrophobicContact CG-CB 4.37Å; F809-W822 HydrophobicContact CZ-CB 3.93Å; W818-W822 HydrophobicContact CE3-CB 3.55Å; W818-W822 HydrophobicContact CE3-CG 4.04Å; W818-W822 HydrophobicContact CZ3-CB 3.58Å; W818-W822 AromaticContact CZ3-CD1 3.99Å; W818-W822 AromaticContact CZ3-CD2 3.85Å; W818-W822 HydrophobicContact CZ3-CD2 3.85Å; W818-W822 HydrophobicContact CZ3-CE3 4.32Å; W818-W822 AromaticContact CZ3-CG 3.54Å; W818-W822 HydrophobicContact CZ3-CG 3.54Å; W818-W822 PolarHBondContact O-N 2.95Å; V819-W822 HydrophobicContact CG1-CE3 4.46Å; V819-W822 PolarHBondContact O-N 3.34Å; W822-R824 VanDerWaalsContact C-N 3.32Å; W822-R824 PolarHBondContact O-N 3.36Å; W822-F825 WeakPolarHBondContact O-CB 3.36Å; W822-F825 PolarHBondContact O-N 3.04Å; W822-F825 VanDerWaalsContact O-N 3.12Å; W822-H826 AromaticContact CD1-CD2 3.58Å; W822-H826 AromaticContact CD1-NE2 3.86Å; W822-H826 AromaticContact CE2-CD2 3.63Å; W822-H826 AromaticContact NE1-CD2 3.3Å; W822-H826 PolarHBondContact NE1-CD2 3.32Å; W822-H826 VanDerWaalsContact NE1-CD2 3.3Å; W822-H826 AromaticContact NE1-NE2 3.42Å; W822-H826 PolarHBondContact NE1-NE2 2.99Å; W822-H826 PolarHBondContact O-CD2 2.97Å; W822-H826 PolarHBondContact O-N 3.02Å
823	L	95.3	Very high	91.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-39	172.8	-73.2	169.1	0	0	0	112.2	F724 I728 F798 M800 V819 F825 H826 I827	F724-L823 HydrophobicContact CD2-CD1 3.62Å; F724-L823 HydrophobicContact CE2-CD1 4.18Å; I728-L823 HydrophobicContact CD1-CD1 3.57Å; I728-L823 HydrophobicContact CG2-CD1 4.44Å; F798-L823 HydrophobicContact CB-CD2 4.34Å; F798-L823 HydrophobicContact CD1-CB 4.05Å; F798-L823 HydrophobicContact CD1-CD2 4.21Å; F798-L823 VanDerWaalsContact CD1-O 3.23Å; F798-L823 WeakPolarHBondContact CD1-O 3.16Å; F798-L823 HydrophobicContact CD2-CD2 4.48Å; F798-L823 HydrophobicContact CE1-CB 3.91Å; F798-L823 WeakPolarHBondContact CE1-O 3.45Å; F798-L823 HydrophobicContact CG-CD2 4.1Å; F798-L823 HydrophobicContact CZ-CB 4.46Å; M800-L823 HydrophobicContact CG-CD2 3.77Å; M800-L823 HydrophobicContact SD-CD2 3.61Å; V819-L823 HydrophobicContact CG1-CD1 3.95Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.17Å; V819-L823 VanDerWaalsContact O-CG 3.27Å; V819-L823 WeakPolarHBondContact O-CG 3.22Å; V819-L823 PolarHBondContact O-N 3.27Å; L823-F825 VanDerWaalsContact C-N 3.28Å; L823-F825 PolarHBondContact O-N 3.35Å; L823-H826 CarbonylContact O-C 3.57Å; L823-H826 PolarHBondContact O-N 3.42Å; L823-I827 PolarHBondContact O-N 3.35Å
824	R	94.3	Very high	93.3	Very high	104 Å²	104	37.8 Å²	37.8	39%	0.392	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-37.6	174	-73.6	171.1	173.6	-178.7	-8.5	111.6	K820 E821 W822 H826 I827 I861	K820-R824 WeakPolarHBondContact O-CG 3.42Å; K820-R824 PolarHBondContact O-N 2.99Å; E821-R824 WeakPolarHBondContact O-CB 3.13Å; E821-R824 PolarHBondContact O-N 3.32Å; W822-R824 VanDerWaalsContact C-N 3.32Å; W822-R824 PolarHBondContact O-N 3.36Å; R824-H826 VanDerWaalsContact C-N 3.35Å; R824-I827 WeakPolarHBondContact O-CB 3.38Å; R824-I827 WeakPolarHBondContact O-CG2 2.94Å; R824-I827 PolarHBondContact O-N 3.36Å; R824-I861 HydrophobicContact CG-CB 4.47Å; R824-I861 HydrophobicContact CG-CD1 3.76Å; R824-I861 VanDerWaalsContact CZ-CG2 3.49Å; R824-I861 VanDerWaalsContact NH2-CG2 3.3Å
825	F	95.1	Very high	94.9	Very high	16 Å²	16	34 Å²	34	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-39.4	177.2	-175.5	-121.4	0	0	0	112.1	Y437 P443 R445 M446 Y460 F809 E821 W822 L823	Y437-F825 HydrophobicContact CE1-CE1 4.42Å; Y437-F825 HydrophobicContact CE2-CE1 4.43Å; Y437-F825 HydrophobicContact CE2-CZ 4.48Å; Y437-F825 AromaticContact CZ-CE1 3.81Å; Y437-F825 VanDerWaalsContact OH-CE1 3.22Å; Y437-F825 WeakPolarHBondContact OH-CE1 3.46Å; P443-F825 HydrophobicContact CG-CD1 3.76Å; P443-F825 HydrophobicContact CG-CD2 4.2Å; P443-F825 HydrophobicContact CG-CE1 3.29Å; P443-F825 HydrophobicContact CG-CE2 3.75Å; P443-F825 HydrophobicContact CG-CG 4.2Å; P443-F825 HydrophobicContact CG-CZ 3.29Å; R445-F825 PolarHBondContact NE-O 3.23Å; R445-F825 PolarHBondContact NH2-O 2.72Å; M446-F825 HydrophobicContact CE-CE2 4.26Å; Y460-F825 HydrophobicContact CD1-CE2 4.15Å; Y460-F825 HydrophobicContact CD1-CZ 4.16Å; Y460-F825 HydrophobicContact CD2-CE2 4.03Å; Y460-F825 HydrophobicContact CD2-CZ 4.08Å; Y460-F825 HydrophobicContact CE1-CD2 4.45Å; Y460-F825 AromaticContact CE1-CE2 3.68Å; Y460-F825 HydrophobicContact CE1-CE2 3.68Å; Y460-F825 HydrophobicContact CE1-CZ 4.16Å; Y460-F825 AromaticContact CE2-CE2 3.56Å; Y460-F825 HydrophobicContact CE2-CE2 3.56Å; Y460-F825 HydrophobicContact CE2-CZ 4.09Å; Y460-F825 HydrophobicContact CG-CE2 4.3Å; Y460-F825 HydrophobicContact CG-CZ 4.11Å; Y460-F825 AromaticContact CZ-CE2 3.36Å; F809-F825 HydrophobicContact CE2-CD1 4.35Å; F809-F825 HydrophobicContact CZ-CB 4.4Å; E821-F825 PolarHBondContact O-N 3.47Å; W822-F825 WeakPolarHBondContact O-CB 3.36Å; W822-F825 PolarHBondContact O-N 3.04Å; W822-F825 VanDerWaalsContact O-N 3.12Å; L823-F825 VanDerWaalsContact C-N 3.28Å; L823-F825 PolarHBondContact O-N 3.35Å
826	H	97.4	Very high	95.7	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.019	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	22.6	178.5	-74.4	-65.1	0	0	0	115	I799 E808 W822 L823 R824	I799-H826 PolarHBondContact N-O 2.97Å; I799-H826 VanDerWaalsContact N-O 3.09Å; I799-H826 WeakPolarHBondContact O-CB 3.35Å; E808-H826 IonicContact OE1-CD2 2.58Å; E808-H826 IonicContact OE1-CE1 2.66Å; E808-H826 IonicContact OE1-NE2 2.84Å; E808-H826 PolarHBondContact OE1-NE2 3.03Å; E808-H826 IonicContact OE2-NE2 2.66Å; E808-H826 PolarHBondContact OE2-NE2 2.97Å; W822-H826 AromaticContact CD1-CD2 3.58Å; W822-H826 AromaticContact CD1-NE2 3.86Å; W822-H826 AromaticContact CE2-CD2 3.63Å; W822-H826 AromaticContact NE1-CD2 3.3Å; W822-H826 PolarHBondContact NE1-CD2 3.32Å; W822-H826 VanDerWaalsContact NE1-CD2 3.3Å; W822-H826 AromaticContact NE1-NE2 3.42Å; W822-H826 PolarHBondContact NE1-NE2 2.99Å; W822-H826 PolarHBondContact O-CD2 2.97Å; W822-H826 PolarHBondContact O-N 3.02Å; L823-H826 CarbonylContact O-C 3.57Å; L823-H826 PolarHBondContact O-N 3.42Å; R824-H826 VanDerWaalsContact C-N 3.35Å
827	I	97.8	Very high	96.1	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	146.6	171.8	-160.9	147.6	0	0	0	110.2	R445 L487 I796 A797 F798 L823 R824 L858 H859 I861	R445-I827 WeakPolarHBondContact CD-O 3.5Å; R445-I827 WeakPolarHBondContact CG-O 3.37Å; L487-I827 HydrophobicContact CD1-CG2 3.86Å; I796-I827 HydrophobicContact CG2-CD1 4.43Å; A797-I827 WeakPolarHBondContact O-CG1 3.13Å; F798-I827 HydrophobicContact CE1-CD1 4.32Å; F798-I827 HydrophobicContact CE1-CG1 4.43Å; L823-I827 PolarHBondContact O-N 3.35Å; R824-I827 WeakPolarHBondContact O-CB 3.38Å; R824-I827 WeakPolarHBondContact O-CG2 2.94Å; R824-I827 PolarHBondContact O-N 3.36Å; I827-L858 HydrophobicContact CG1-CD1 4.26Å; I827-L858 HydrophobicContact CG2-CD1 4.16Å; I827-H859 HydrophobicContact CD1-CB 4.05Å; I827-H859 WeakPolarHBondContact CD1-O 3.38Å; I827-I861 HydrophobicContact CD1-CD1 4.15Å
828	A	98.4	Very high	96.6	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.5	-176.1	0	0	0	0	0	111.2	A797 I799 D832 L858	A797-A828 WeakPolarHBondContact CB-O 3.49Å; A797-A828 PolarHBondContact O-N 3.14Å; I799-A828 HydrophobicContact CB-CB 4.36Å; I799-A828 HydrophobicContact CD1-CB 3.45Å; I799-A828 VanDerWaalsContact CD1-CB 3.45Å; I799-A828 HydrophobicContact CG1-CB 3.69Å; A828-D832 HydrophobicContact CB-CB 4.3Å; A828-L858 WeakPolarHBondContact O-CD1 3.3Å
829	R	98.8	Very high	97	Very high	2 Å²	2	24 Å²	24	1%	0.008	11%	0.107	C	C	.	.			trans	-79.6	153.7	168	-55.3	173.4	-57.9	162.5	10.6	108.2	Y215 E512 R831 D832 I833 K855 T856 L858	Y215-R829 VanDerWaalsContact OH-CZ 3.29Å; Y215-R829 PolarHBondContact OH-NH1 2.8Å; Y215-R829 PolarHBondContact OH-NH2 2.73Å; E512-R829 WeakPolarHBondContact OE2-CD 3.5Å; E512-R829 IonicContact OE2-CZ 3.61Å; E512-R829 VanDerWaalsContact OE2-CZ 3.3Å; E512-R829 IonicContact OE2-NE 3.65Å; E512-R829 IonicContact OE2-NH1 3.89Å; E512-R829 PolarHBondContact OE2-NH1 3.05Å; R829-R831 HydrophobicContact CB-CB 4.31Å; R829-R831 PolarHBondContact O-N 2.91Å; R829-D832 VanDerWaalsContact CB-OD2 3.24Å; R829-D832 WeakPolarHBondContact CB-OD2 3.25Å; R829-D832 WeakPolarHBondContact CG-OD2 3.47Å; R829-D832 IonicContact CZ-OD1 3.59Å; R829-D832 PolarHBondContact N-OD2 3.03Å; R829-D832 IonicContact NE-OD1 3.71Å; R829-D832 PolarHBondContact NE-OD1 3.34Å; R829-D832 VanDerWaalsContact NE-OD1 3.15Å; R829-D832 IonicContact NE-OD2 3.7Å; R829-D832 PolarHBondContact NE-OD2 3.33Å; R829-D832 VanDerWaalsContact NE-OD2 3.16Å; R829-D832 IonicContact NH2-OD1 2.8Å; R829-D832 PolarHBondContact NH2-OD1 2.83Å; R829-D832 WeakPolarHBondContact O-CB 3.49Å; R829-D832 PolarHBondContact O-N 3.1Å; R829-D832 VanDerWaalsContact O-N 3.1Å; R829-I833 PolarHBondContact O-N 3.05Å; R829-K855 WeakPolarHBondContact CB-O 3.4Å; R829-T856 WeakPolarHBondContact CD-O 3.49Å; R829-L858 HydrophobicContact CG-CB 3.85Å; R829-L858 HydrophobicContact CG-CD1 4.01Å; R829-L858 HydrophobicContact CG-CG 4.4Å
830	V	98.8	Very high	97.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-32	169.2	177.5	0	0	0	0	110.1	I775 A795 A797 D832 I833 E834 F841 Y842 K855	I775-V830 HydrophobicContact CD1-CG1 3.93Å; I775-V830 HydrophobicContact CD1-CG2 4.45Å; I775-V830 HydrophobicContact CG2-CG2 4.04Å; A795-V830 HydrophobicContact CB-CG2 4.02Å; A797-V830 HydrophobicContact CB-CG2 4.1Å; V830-D832 VanDerWaalsContact C-N 3.3Å; V830-D832 PolarHBondContact O-N 3.05Å; V830-I833 WeakPolarHBondContact O-CB 3.36Å; V830-I833 PolarHBondContact O-N 3.39Å; V830-I833 VanDerWaalsContact O-N 3.15Å; V830-E834 PolarHBondContact O-N 3.11Å; V830-F841 HydrophobicContact CG1-CB 4.37Å; V830-F841 HydrophobicContact CG1-CD2 3.61Å; V830-F841 HydrophobicContact CG1-CE2 4.31Å; V830-F841 HydrophobicContact CG1-CG 4.28Å; V830-Y842 HydrophobicContact CB-CE2 4.42Å; V830-Y842 HydrophobicContact CG1-CE2 3.9Å; V830-Y842 HydrophobicContact CG2-CE2 4.16Å; V830-K855 HydrophobicContact CB-CB 4.46Å; V830-K855 HydrophobicContact CB-CG 4.23Å; V830-K855 HydrophobicContact CG1-CG 4.09Å; V830-K855 PolarHBondContact N-O 3.48Å
831	R	98.8	Very high	97.4	Very high	59 Å²	59	19.4 Å²	19.4	22%	0.223	9%	0.087	C	C	.	.	H	α-helix	trans	-59.2	-36.8	174.7	-174.8	64.7	-171.9	102	1.9	113.4	R829 I833 E834 L835 K855	R829-R831 HydrophobicContact CB-CB 4.31Å; R829-R831 PolarHBondContact O-N 2.91Å; R831-I833 VanDerWaalsContact C-N 3.33Å; R831-E834 PolarHBondContact O-N 3.03Å; R831-L835 VanDerWaalsContact NH1-CD2 3.27Å; R831-L835 VanDerWaalsContact NH1-CG 3.29Å; R831-L835 VanDerWaalsContact NH2-CD2 3.27Å; R831-L835 WeakPolarHBondContact O-CG 3.46Å; R831-L835 PolarHBondContact O-N 3.06Å; R831-L835 VanDerWaalsContact O-N 3.14Å; R831-K855 HydrophobicContact CB-CB 4.38Å; R831-K855 WeakPolarHBondContact CB-O 3.31Å; R831-K855 PolarHBondContact N-O 3.42Å
832	D	98.9	Very high	97.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.011	6%	0.063	C	C	.	.	H	α-helix	trans	-65	-41	176.6	-59.9	-44	0	0	0	110.6	H447 I799 A828 R829 V830 L835 L836	H447-D832 IonicContact CD2-OD1 2.91Å; H447-D832 IonicContact CE1-OD1 2.93Å; H447-D832 IonicContact NE2-OD1 2.88Å; H447-D832 PolarHBondContact NE2-OD1 3.26Å; I799-D832 HydrophobicContact CD1-CB 3.78Å; A828-D832 HydrophobicContact CB-CB 4.3Å; R829-D832 VanDerWaalsContact CB-OD2 3.24Å; R829-D832 WeakPolarHBondContact CB-OD2 3.25Å; R829-D832 WeakPolarHBondContact CG-OD2 3.47Å; R829-D832 IonicContact CZ-OD1 3.59Å; R829-D832 PolarHBondContact N-OD2 3.03Å; R829-D832 IonicContact NE-OD1 3.71Å; R829-D832 PolarHBondContact NE-OD1 3.34Å; R829-D832 VanDerWaalsContact NE-OD1 3.15Å; R829-D832 IonicContact NE-OD2 3.7Å; R829-D832 PolarHBondContact NE-OD2 3.33Å; R829-D832 VanDerWaalsContact NE-OD2 3.16Å; R829-D832 IonicContact NH2-OD1 2.8Å; R829-D832 PolarHBondContact NH2-OD1 2.83Å; R829-D832 WeakPolarHBondContact O-CB 3.49Å; R829-D832 PolarHBondContact O-N 3.1Å; R829-D832 VanDerWaalsContact O-N 3.1Å; V830-D832 VanDerWaalsContact C-N 3.3Å; V830-D832 PolarHBondContact O-N 3.05Å; D832-L835 PolarHBondContact O-N 3.11Å; D832-L836 PolarHBondContact O-N 3.03Å; D832-L836 VanDerWaalsContact O-N 3.12Å
833	I	98.9	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-41.8	175.2	-63.4	170.7	0	0	0	110.8	F773 I775 A797 I799 R829 V830 R831 L835 L836 T837 F841	F773-I833 HydrophobicContact CB-CD1 3.9Å; F773-I833 HydrophobicContact CB-CG1 3.95Å; F773-I833 HydrophobicContact CB-CG2 3.81Å; F773-I833 HydrophobicContact CD1-CG2 4.02Å; F773-I833 HydrophobicContact CD2-CD1 4.16Å; F773-I833 HydrophobicContact CD2-CG2 3.55Å; F773-I833 HydrophobicContact CE1-CG2 4.47Å; F773-I833 HydrophobicContact CE2-CG2 4.05Å; F773-I833 HydrophobicContact CG-CD1 4.41Å; F773-I833 HydrophobicContact CG-CG2 3.52Å; F773-I833 HydrophobicContact CZ-CG2 4.48Å; I775-I833 HydrophobicContact CD1-CD1 4Å; I775-I833 HydrophobicContact CD1-CG2 4.23Å; I775-I833 HydrophobicContact CG1-CD1 3.49Å; I775-I833 VanDerWaalsContact CG1-CD1 3.49Å; A797-I833 HydrophobicContact CB-CD1 3.67Å; I799-I833 HydrophobicContact CD1-CG1 4.08Å; I799-I833 HydrophobicContact CG1-CG1 3.77Å; R829-I833 PolarHBondContact O-N 3.05Å; V830-I833 WeakPolarHBondContact O-CB 3.36Å; V830-I833 PolarHBondContact O-N 3.39Å; V830-I833 VanDerWaalsContact O-N 3.15Å; R831-I833 VanDerWaalsContact C-N 3.33Å; I833-L835 VanDerWaalsContact C-N 3.31Å; I833-L835 PolarHBondContact O-N 3.42Å; I833-L836 PolarHBondContact O-N 3.41Å; I833-T837 HydrophobicContact CG2-CG2 3.86Å; I833-T837 WeakPolarHBondContact O-CB 3.41Å; I833-T837 VanDerWaalsContact O-CG2 3.27Å; I833-T837 WeakPolarHBondContact O-CG2 3.36Å; I833-T837 PolarHBondContact O-N 3.47Å; I833-T837 PolarHBondContact O-OG1 3.23Å; I833-F841 HydrophobicContact CG2-CE2 3.9Å; I833-F841 HydrophobicContact CG2-CZ 4.07Å
834	E	98.8	Very high	97.4	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-41.3	176.4	-69.4	-168.9	140.4	0	0	112.3	V830 R831 G838 L839 S840 F841 K855	V830-E834 PolarHBondContact O-N 3.11Å; R831-E834 PolarHBondContact O-N 3.03Å; E834-G838 PolarHBondContact O-N 3.02Å; E834-L839 WeakPolarHBondContact CA-O 3.38Å; E834-L839 VanDerWaalsContact CB-O 3.26Å; E834-L839 WeakPolarHBondContact CB-O 3.49Å; E834-L839 VanDerWaalsContact CG-O 3.29Å; E834-L839 WeakPolarHBondContact CG-O 3.49Å; E834-S840 WeakPolarHBondContact OE1-CA 3.49Å; E834-S840 WeakPolarHBondContact OE1-CB 3.45Å; E834-S840 PolarHBondContact OE1-OG 3.06Å; E834-F841 HydrophobicContact CG-CD2 3.56Å; E834-F841 HydrophobicContact CG-CE2 3.8Å; E834-F841 PolarHBondContact OE1-N 3.44Å; E834-K855 WeakPolarHBondContact OE1-CE 3.32Å; E834-K855 IonicContact OE1-NZ 2.87Å; E834-K855 PolarHBondContact OE1-NZ 3.31Å; E834-K855 WeakPolarHBondContact OE2-CD 3.47Å; E834-K855 IonicContact OE2-NZ 3.96Å
835	L	98.7	Very high	97	Very high	34 Å²	34	18.6 Å²	18.6	18%	0.178	9%	0.087	C	C	.	.	H	α-helix	trans	-61.5	-50.2	175.9	-68.5	170.2	0	0	0	111.4	G753 N754 V755 R831 D832 I833 T837	G753-L835 VanDerWaalsContact O-CB 3.27Å; G753-L835 WeakPolarHBondContact O-CB 3.49Å; N754-L835 CarbonylContact C-O 3.43Å; N754-L835 WeakPolarHBondContact CA-O 3.33Å; V755-L835 PolarHBondContact N-O 3.36Å; R831-L835 VanDerWaalsContact NH1-CD2 3.27Å; R831-L835 VanDerWaalsContact NH1-CG 3.29Å; R831-L835 VanDerWaalsContact NH2-CD2 3.27Å; R831-L835 WeakPolarHBondContact O-CG 3.46Å; R831-L835 PolarHBondContact O-N 3.06Å; R831-L835 VanDerWaalsContact O-N 3.14Å; D832-L835 PolarHBondContact O-N 3.11Å; I833-L835 VanDerWaalsContact C-N 3.31Å; I833-L835 PolarHBondContact O-N 3.42Å; L835-T837 VanDerWaalsContact C-N 3.32Å; L835-T837 PolarHBondContact O-N 3.04Å
836	L	98.7	Very high	96.8	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-16.6	-174.5	-76.3	164.4	0	0	0	114.9	K444 I746 D748 I799 D832 I833	K444-L836 HydrophobicContact CB-CD1 4.14Å; K444-L836 HydrophobicContact CG-CD1 4.25Å; I746-L836 HydrophobicContact CD1-CB 4.01Å; I746-L836 HydrophobicContact CD1-CD1 4.17Å; I746-L836 HydrophobicContact CG1-CB 4.09Å; I746-L836 HydrophobicContact CG2-CB 3.88Å; I746-L836 HydrophobicContact CG2-CD2 3.98Å; I746-L836 HydrophobicContact CG2-CG 4.37Å; D748-L836 HydrophobicContact CB-CD2 3.56Å; D748-L836 WeakPolarHBondContact OD2-CD2 3.32Å; I799-L836 HydrophobicContact CD1-CD1 3.51Å; I799-L836 HydrophobicContact CG1-CD1 4.38Å; I799-L836 HydrophobicContact CG2-CD1 4.32Å; D832-L836 PolarHBondContact O-N 3.03Å; D832-L836 VanDerWaalsContact O-N 3.12Å; I833-L836 PolarHBondContact O-N 3.41Å
837	T	98.3	Very high	96.6	Very high	16 Å²	16	21.5 Å²	21.5	10%	0.098	11%	0.107	C	C	.	.	H	α-helix	trans	-114.1	-18.6	-175.6	60.6	0	0	0	0	113.6	I746 F773 I833 L835 L839	I746-T837 HydrophobicContact CD1-CG2 4.43Å; I746-T837 HydrophobicContact CG1-CG2 3.72Å; F773-T837 HydrophobicContact CD1-CG2 3.54Å; F773-T837 HydrophobicContact CE1-CG2 3.61Å; F773-T837 HydrophobicContact CG-CG2 4.4Å; I833-T837 HydrophobicContact CG2-CG2 3.86Å; I833-T837 WeakPolarHBondContact O-CB 3.41Å; I833-T837 VanDerWaalsContact O-CG2 3.27Å; I833-T837 WeakPolarHBondContact O-CG2 3.36Å; I833-T837 PolarHBondContact O-N 3.47Å; I833-T837 PolarHBondContact O-OG1 3.23Å; L835-T837 VanDerWaalsContact C-N 3.32Å; L835-T837 PolarHBondContact O-N 3.04Å; T837-L839 PolarHBondContact O-N 3.44Å; T837-L839 WeakPolarHBondContact OG1-CB 3.29Å; T837-L839 PolarHBondContact OG1-N 3.21Å
838	G	97.8	Very high	96.5	Very high	5 Å²	5	22.7 Å²	22.7	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	63.9	24.7	-170	0	0	0	0	0	112.9	I615 Q616 E834	I615-G838 VanDerWaalsContact CG1-C 3.46Å; I615-G838 WeakPolarHBondContact CG1-O 3.42Å; I615-G838 PolarHBondContact N-O 3Å; Q616-G838 PolarHBondContact N-O 3.27Å; E834-G838 PolarHBondContact O-N 3.02Å
839	L	98.3	Very high	96.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	157.8	172.7	-59.6	176.8	0	0	0	110.2	S613 V614 L641 W642 F773 E834 T837 F841	S613-L839 CarbonylContact O-C 3.56Å; S613-L839 WeakPolarHBondContact O-CA 3.47Å; V614-L839 HydrophobicContact CG2-CD2 3.89Å; L641-L839 HydrophobicContact CB-CD2 4.48Å; W642-L839 HydrophobicContact CB-CD1 4.04Å; W642-L839 HydrophobicContact CG-CD1 4.27Å; F773-L839 HydrophobicContact CE1-CD1 4.42Å; F773-L839 HydrophobicContact CZ-CD1 4.16Å; E834-L839 WeakPolarHBondContact CA-O 3.38Å; E834-L839 VanDerWaalsContact CB-O 3.26Å; E834-L839 WeakPolarHBondContact CB-O 3.49Å; E834-L839 VanDerWaalsContact CG-O 3.29Å; E834-L839 WeakPolarHBondContact CG-O 3.49Å; T837-L839 PolarHBondContact O-N 3.44Å; T837-L839 WeakPolarHBondContact OG1-CB 3.29Å; T837-L839 PolarHBondContact OG1-N 3.21Å; L839-F841 HydrophobicContact CB-CE1 4.27Å; L839-F841 HydrophobicContact CB-CE2 4.14Å; L839-F841 HydrophobicContact CB-CZ 3.78Å; L839-F841 HydrophobicContact CD1-CE1 4.21Å; L839-F841 HydrophobicContact CD1-CZ 3.92Å
840	S	98.3	Very high	95.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.3	166.9	-166.5	0	0	0	0	112.8	P552 P612 S613 E834 H843 K855	P552-S840 WeakPolarHBondContact CG-OG 3.26Å; P612-S840 CarbonylContact C-O 3.53Å; P612-S840 WeakPolarHBondContact CA-O 3.23Å; S613-S840 PolarHBondContact N-O 3.12Å; S613-S840 PolarHBondContact O-N 3Å; E834-S840 WeakPolarHBondContact OE1-CA 3.49Å; E834-S840 WeakPolarHBondContact OE1-CB 3.45Å; E834-S840 PolarHBondContact OE1-OG 3.06Å; S840-H843 VanDerWaalsContact CB-NE2 3.34Å; S840-H843 WeakPolarHBondContact CB-NE2 3.39Å; S840-H843 PolarHBondContact OG-NE2 3.02Å; S840-K855 PolarHBondContact OG-NZ 2.92Å
841	F	98.3	Very high	95.8	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	15%	0.148	C	C	.	.			trans	-104.2	164.5	-171.5	-52.8	-80.2	0	0	0	112.5	P612 V742 F773 I775 V830 I833 E834 L839 H843 K855	P612-F841 HydrophobicContact CB-CD1 3.96Å; P612-F841 HydrophobicContact CB-CE1 3.95Å; P612-F841 HydrophobicContact CG-CD1 3.93Å; P612-F841 HydrophobicContact CG-CE1 4.01Å; V742-F841 HydrophobicContact CG1-CE1 3.96Å; F773-F841 HydrophobicContact CE2-CZ 4.16Å; F773-F841 HydrophobicContact CZ-CZ 4.27Å; I775-F841 HydrophobicContact CD1-CD1 4.23Å; I775-F841 HydrophobicContact CD1-CD2 3.96Å; I775-F841 HydrophobicContact CD1-CE1 4.04Å; I775-F841 HydrophobicContact CD1-CE2 3.75Å; I775-F841 HydrophobicContact CD1-CG 4.2Å; I775-F841 HydrophobicContact CD1-CZ 3.79Å; V830-F841 HydrophobicContact CG1-CB 4.37Å; V830-F841 HydrophobicContact CG1-CD2 3.61Å; V830-F841 HydrophobicContact CG1-CE2 4.31Å; V830-F841 HydrophobicContact CG1-CG 4.28Å; I833-F841 HydrophobicContact CG2-CE2 3.9Å; I833-F841 HydrophobicContact CG2-CZ 4.07Å; E834-F841 HydrophobicContact CG-CD2 3.56Å; E834-F841 HydrophobicContact CG-CE2 3.8Å; E834-F841 PolarHBondContact OE1-N 3.44Å; L839-F841 HydrophobicContact CB-CE1 4.27Å; L839-F841 HydrophobicContact CB-CE2 4.14Å; L839-F841 HydrophobicContact CB-CZ 3.78Å; L839-F841 HydrophobicContact CD1-CE1 4.21Å; L839-F841 HydrophobicContact CD1-CZ 3.92Å; F841-H843 PolarHBondContact O-CD2 3.41Å; F841-H843 VanDerWaalsContact O-CD2 3.3Å; F841-K855 WeakPolarHBondContact O-CE 3.45Å; F841-K855 PolarHBondContact O-NZ 3.33Å
842	Y	97.2	Very high	95.7	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.043	14%	0.142	C	C	.	.			trans	60.9	46.6	171.5	-43.6	-62.3	0	0	0	114.8	F609 I775 T777 V830 T851 L854 K855	F609-Y842 HydrophobicContact CB-CD1 3.61Å; F609-Y842 HydrophobicContact CB-CE1 4.31Å; F609-Y842 HydrophobicContact CD2-CD1 4.15Å; F609-Y842 AromaticContact CD2-CE1 3.99Å; F609-Y842 HydrophobicContact CD2-CE1 3.99Å; F609-Y842 HydrophobicContact CG-CD1 4.03Å; F609-Y842 HydrophobicContact CG-CE1 4.34Å; F609-Y842 CarbonylContact O-C 3.59Å; F609-Y842 VanDerWaalsContact O-CA 3.31Å; F609-Y842 WeakPolarHBondContact O-CA 3.46Å; I775-Y842 VanDerWaalsContact CG2-OH 3.25Å; I775-Y842 WeakPolarHBondContact CG2-OH 3.27Å; T777-Y842 HydrophobicContact CG2-CE1 3.98Å; T777-Y842 PolarHBondContact OG1-OH 3.34Å; V830-Y842 HydrophobicContact CB-CE2 4.42Å; V830-Y842 HydrophobicContact CG1-CE2 3.9Å; V830-Y842 HydrophobicContact CG2-CE2 4.16Å; Y842-T851 PolarHBondContact O-OG1 2.81Å; Y842-L854 HydrophobicContact CD1-CD2 4.37Å; Y842-L854 HydrophobicContact CD2-CD2 3.89Å; Y842-L854 HydrophobicContact CE1-CD2 4.29Å; Y842-L854 HydrophobicContact CE2-CD2 3.76Å; Y842-L854 HydrophobicContact CE2-CG 4.29Å; Y842-L854 HydrophobicContact CG-CD2 4.19Å; Y842-K855 HydrophobicContact CD2-CG 4.2Å
843	H	94.6	Very high	95.5	Very high	51 Å²	51	30.7 Å²	30.7	24%	0.236	15%	0.154	C	C	.	.			trans	-87.1	9.1	175.1	-70.7	-155.7	0	0	0	112.3	H551 F609 S613 S840 F841	H551-H843 AromaticContact ND1-CD2 3.74Å; H551-H843 AromaticContact ND1-NE2 3.96Å; F609-H843 PolarHBondContact O-N 3.15Å; S613-H843 PolarHBondContact OG-CE1 3.31Å; S613-H843 VanDerWaalsContact OG-CE1 3.31Å; S613-H843 PolarHBondContact OG-ND1 3Å; S840-H843 VanDerWaalsContact CB-NE2 3.34Å; S840-H843 WeakPolarHBondContact CB-NE2 3.39Å; S840-H843 PolarHBondContact OG-NE2 3.02Å; F841-H843 PolarHBondContact O-CD2 3.41Å; F841-H843 VanDerWaalsContact O-CD2 3.3Å
844	G	88.8	Confident	95.4	Very high	20 Å²	20	31.6 Å²	31.6	21%	0.206	16%	0.158	C	C	.	.	S	Bend	trans	-134.6	155.8	178.7	0	0	0	0	0	113.3	F609 I846	F609-G844 PolarHBondContact O-N 3.13Å; F609-G844 VanDerWaalsContact O-N 3.09Å; G844-I846 PolarHBondContact O-N 3.34Å
845	R	87.2	Confident	95.4	Very high	140 Å²	140	31.3 Å²	31.3	53%	0.528	16%	0.157	S	C	.	.	S	Bend	trans	66.6	-27.3	174.8	-60.9	-167.4	-179.5	169.4	0.3	118.6	P608 V787	P608-R845 WeakPolarHBondContact O-CD 3.46Å; P608-R845 WeakPolarHBondContact O-CG 3.28Å; P608-R845 PolarHBondContact O-NE 3.44Å; V787-R845 PolarHBondContact O-NH1 3.41Å; V787-R845 PolarHBondContact O-NH2 3.36Å
846	I	91.2	Very high	95.3	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.179	15%	0.154	C	C	.	.	S	Bend	trans	-116.9	157.7	178.9	57.7	164.5	0	0	0	111.2	L793 G844 E850 T851 L854	L793-I846 HydrophobicContact CD1-CD1 4.1Å; L793-I846 HydrophobicContact CD1-CG2 4.19Å; L793-I846 HydrophobicContact CG-CG2 4.43Å; G844-I846 PolarHBondContact O-N 3.34Å; I846-E850 HydrophobicContact CB-CB 4.31Å; I846-E850 HydrophobicContact CD1-CB 4.42Å; I846-T851 WeakPolarHBondContact CD1-OG1 3.45Å; I846-T851 VanDerWaalsContact CG1-OG1 3.25Å; I846-T851 WeakPolarHBondContact CG1-OG1 3.31Å; I846-L854 HydrophobicContact CD1-CD2 4.23Å
847	S	92.9	Very high	95.2	Very high	46 Å²	46	34.5 Å²	34.5	32%	0.322	17%	0.171	S	C	.	.			trans	-67.5	160.1	178.5	62.1	0	0	0	0	112	E849 E850 T851	S847-E849 PolarHBondContact O-N 3.08Å; S847-E850 WeakPolarHBondContact CB-OE2 3.47Å; S847-E850 PolarHBondContact N-OE2 3.41Å; S847-E850 PolarHBondContact O-N 3.13Å; S847-E850 WeakPolarHBondContact OG-CB 3.47Å; S847-E850 VanDerWaalsContact OG-CD 3.25Å; S847-E850 WeakPolarHBondContact OG-CG 3.46Å; S847-E850 PolarHBondContact OG-N 3.45Å; S847-E850 PolarHBondContact OG-OE2 2.95Å; S847-T851 WeakPolarHBondContact O-CB 3.26Å; S847-T851 PolarHBondContact O-N 3Å; S847-T851 PolarHBondContact O-OG1 2.97Å
848	V	95.1	Very high	95	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.17	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.7	-176.6	0	0	0	0	110.5	P549 T851 I852	P549-V848 HydrophobicContact CB-CG1 3.84Å; P549-V848 HydrophobicContact CG-CB 4.48Å; P549-V848 HydrophobicContact CG-CG1 3.92Å; P549-V848 WeakPolarHBondContact O-CG1 3.43Å; V848-T851 WeakPolarHBondContact O-CB 3.36Å; V848-T851 PolarHBondContact O-N 2.98Å; V848-I852 WeakPolarHBondContact O-CG1 3.29Å; V848-I852 PolarHBondContact O-N 2.68Å
849	E	92.6	Very high	94.6	Very high	68 Å²	68	36.3 Å²	36.3	32%	0.318	18%	0.177	S	C	.	.	H	α-helix	trans	-63.4	-43.1	178.5	-66.8	80.2	-179.4	0	0	112.5	P549 S847 I852 Q853	P549-E849 HydrophobicContact CG-CG 4.12Å; S847-E849 PolarHBondContact O-N 3.08Å; E849-I852 VanDerWaalsContact O-CG1 3.23Å; E849-I852 WeakPolarHBondContact O-CG1 3.35Å; E849-Q853 WeakPolarHBondContact O-CG 3.41Å; E849-Q853 PolarHBondContact O-N 3.28Å
850	E	92.9	Very high	93.7	Very high	96 Å²	96	38.8 Å²	38.8	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-67	-40	173.7	-72.6	166.5	136.8	0	0	111.1	I846 S847 I852 Q853 L854	I846-E850 HydrophobicContact CB-CB 4.31Å; I846-E850 HydrophobicContact CD1-CB 4.42Å; S847-E850 WeakPolarHBondContact CB-OE2 3.47Å; S847-E850 PolarHBondContact N-OE2 3.41Å; S847-E850 PolarHBondContact O-N 3.13Å; S847-E850 WeakPolarHBondContact OG-CB 3.47Å; S847-E850 VanDerWaalsContact OG-CD 3.25Å; S847-E850 WeakPolarHBondContact OG-CG 3.46Å; S847-E850 PolarHBondContact OG-N 3.45Å; S847-E850 PolarHBondContact OG-OE2 2.95Å; E850-I852 PolarHBondContact O-N 2.98Å; E850-Q853 PolarHBondContact O-N 2.94Å; E850-L854 WeakPolarHBondContact O-CB 3.3Å; E850-L854 PolarHBondContact O-N 2.93Å
851	T	96.3	Very high	91.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-48.5	177.7	-75	0	0	0	0	111.8	Y842 I846 S847 V848 L854 K855	Y842-T851 PolarHBondContact O-OG1 2.81Å; I846-T851 WeakPolarHBondContact CD1-OG1 3.45Å; I846-T851 VanDerWaalsContact CG1-OG1 3.25Å; I846-T851 WeakPolarHBondContact CG1-OG1 3.31Å; S847-T851 WeakPolarHBondContact O-CB 3.26Å; S847-T851 PolarHBondContact O-N 3Å; S847-T851 PolarHBondContact O-OG1 2.97Å; V848-T851 WeakPolarHBondContact O-CB 3.36Å; V848-T851 PolarHBondContact O-N 2.98Å; T851-L854 PolarHBondContact O-N 3.5Å; T851-K855 HydrophobicContact CG2-CD 3.77Å; T851-K855 HydrophobicContact CG2-CG 4.47Å; T851-K855 WeakPolarHBondContact O-CB 3.49Å; T851-K855 WeakPolarHBondContact O-CD 3.45Å; T851-K855 WeakPolarHBondContact O-CG 3.43Å; T851-K855 PolarHBondContact O-N 3.05Å
852	I	96.4	Very high	91.3	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-36.4	-179.3	61.8	-177	0	0	0	112.1	T534 G536 P549 V848 E849 E850 K855 T856	T534-I852 HydrophobicContact CG2-CB 4.07Å; T534-I852 HydrophobicContact CG2-CG2 4.12Å; G536-I852 WeakPolarHBondContact O-CD1 3.42Å; P549-I852 HydrophobicContact CB-CD1 3.87Å; P549-I852 HydrophobicContact CG-CD1 3.63Å; V848-I852 WeakPolarHBondContact O-CG1 3.29Å; V848-I852 PolarHBondContact O-N 2.68Å; E849-I852 VanDerWaalsContact O-CG1 3.23Å; E849-I852 WeakPolarHBondContact O-CG1 3.35Å; E850-I852 PolarHBondContact O-N 2.98Å; I852-K855 PolarHBondContact O-N 3.25Å; I852-T856 WeakPolarHBondContact O-CG2 3.49Å; I852-T856 PolarHBondContact O-N 3.36Å; I852-T856 PolarHBondContact O-OG1 3.02Å; I852-T856 VanDerWaalsContact O-OG1 3.1Å
853	Q	94.8	Very high	91	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-44.4	174.7	-74.8	173.5	33.1	0	0	111.6	S537 H540 E849 E850 K855 T856 F857	S537-Q853 WeakPolarHBondContact O-CG 3.48Å; H540-Q853 PolarHBondContact ND1-NE2 3.02Å; E849-Q853 WeakPolarHBondContact O-CG 3.41Å; E849-Q853 PolarHBondContact O-N 3.28Å; E850-Q853 PolarHBondContact O-N 2.94Å; Q853-K855 PolarHBondContact O-N 3.17Å; Q853-T856 PolarHBondContact O-N 3.21Å; Q853-T856 PolarHBondContact O-OG1 3.42Å; Q853-F857 WeakPolarHBondContact O-CB 3.49Å; Q853-F857 PolarHBondContact O-N 3.45Å
854	L	96.4	Very high	90.8	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-39.6	174.3	-178	65.5	0	0	0	111	L793 A795 Y842 I846 E850 T851	L793-L854 HydrophobicContact CB-CD1 4.33Å; L793-L854 HydrophobicContact CB-CD2 3.93Å; L793-L854 HydrophobicContact CD1-CD2 4.13Å; A795-L854 HydrophobicContact CB-CD1 3.85Å; A795-L854 HydrophobicContact CB-CG 4.24Å; Y842-L854 HydrophobicContact CD1-CD2 4.37Å; Y842-L854 HydrophobicContact CD2-CD2 3.89Å; Y842-L854 HydrophobicContact CE1-CD2 4.29Å; Y842-L854 HydrophobicContact CE2-CD2 3.76Å; Y842-L854 HydrophobicContact CE2-CG 4.29Å; Y842-L854 HydrophobicContact CG-CD2 4.19Å; I846-L854 HydrophobicContact CD1-CD2 4.23Å; E850-L854 WeakPolarHBondContact O-CB 3.3Å; E850-L854 PolarHBondContact O-N 2.93Å; T851-L854 PolarHBondContact O-N 3.5Å
855	K	98.1	Very high	90.9	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-71.8	-35.9	-177.8	-75.5	169.3	176.1	-174.4	0	114.4	R829 V830 R831 E834 S840 F841 Y842 T851 I852 Q853	R829-K855 WeakPolarHBondContact CB-O 3.4Å; V830-K855 HydrophobicContact CB-CB 4.46Å; V830-K855 HydrophobicContact CB-CG 4.23Å; V830-K855 HydrophobicContact CG1-CG 4.09Å; V830-K855 PolarHBondContact N-O 3.48Å; R831-K855 HydrophobicContact CB-CB 4.38Å; R831-K855 WeakPolarHBondContact CB-O 3.31Å; R831-K855 PolarHBondContact N-O 3.42Å; E834-K855 WeakPolarHBondContact OE1-CE 3.32Å; E834-K855 IonicContact OE1-NZ 2.87Å; E834-K855 PolarHBondContact OE1-NZ 3.31Å; E834-K855 WeakPolarHBondContact OE2-CD 3.47Å; E834-K855 IonicContact OE2-NZ 3.96Å; S840-K855 PolarHBondContact OG-NZ 2.92Å; F841-K855 WeakPolarHBondContact O-CE 3.45Å; F841-K855 PolarHBondContact O-NZ 3.33Å; Y842-K855 HydrophobicContact CD2-CG 4.2Å; T851-K855 HydrophobicContact CG2-CD 3.77Å; T851-K855 HydrophobicContact CG2-CG 4.47Å; T851-K855 WeakPolarHBondContact O-CB 3.49Å; T851-K855 WeakPolarHBondContact O-CD 3.45Å; T851-K855 WeakPolarHBondContact O-CG 3.43Å; T851-K855 PolarHBondContact O-N 3.05Å; I852-K855 PolarHBondContact O-N 3.25Å; Q853-K855 PolarHBondContact O-N 3.17Å
856	T	97.9	Very high	91.2	Very high	18 Å²	18	44.1 Å²	44.1	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-85.4	-14.2	178.5	55.9	0	0	0	0	113.1	T534 R829 I852 Q853 L858	T534-T856 HydrophobicContact CG2-CG2 4.24Å; T534-T856 WeakPolarHBondContact OG1-CG2 3.2Å; R829-T856 WeakPolarHBondContact CD-O 3.49Å; I852-T856 WeakPolarHBondContact O-CG2 3.49Å; I852-T856 PolarHBondContact O-N 3.36Å; I852-T856 PolarHBondContact O-OG1 3.02Å; I852-T856 VanDerWaalsContact O-OG1 3.1Å; Q853-T856 PolarHBondContact O-N 3.21Å; Q853-T856 PolarHBondContact O-OG1 3.42Å; T856-L858 PolarHBondContact O-N 3.48Å
857	F	95.8	Very high	91.2	Very high	86 Å²	86	44.7 Å²	44.7	38%	0.377	23%	0.228	S	C	.	.			trans	-64.9	129.2	175.6	-176.9	-101.5	0	0	0	110.5	Q853 H859	Q853-F857 WeakPolarHBondContact O-CB 3.49Å; Q853-F857 PolarHBondContact O-N 3.45Å; F857-H859 HydrophobicContact CE1-CB 3.99Å
858	L	95.2	Very high	91	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.222	C	C	.	.			trans	-109.9	116	171	-174.8	59.5	0	0	0	108	R196 L487 I827 A828 R829 T856 T860	R196-L858 VanDerWaalsContact NH1-CB 3.33Å; R196-L858 PolarHBondContact NH2-O 2.9Å; L487-L858 HydrophobicContact CD2-CD2 3.65Å; L487-L858 HydrophobicContact CD2-CG 4.43Å; I827-L858 HydrophobicContact CG1-CD1 4.26Å; I827-L858 HydrophobicContact CG2-CD1 4.16Å; A828-L858 WeakPolarHBondContact O-CD1 3.3Å; R829-L858 HydrophobicContact CG-CB 3.85Å; R829-L858 HydrophobicContact CG-CD1 4.01Å; R829-L858 HydrophobicContact CG-CG 4.4Å; T856-L858 PolarHBondContact O-N 3.48Å; L858-T860 PolarHBondContact O-N 3.47Å
859	H	88.8	Confident	90.7	Very high	55 Å²	55	45.8 Å²	45.8	26%	0.255	23%	0.226	S	C	.	.			trans	-66.5	121.3	176	-177.9	5.6	0	0	0	109.7	I827 F857	I827-H859 HydrophobicContact CD1-CB 4.05Å; I827-H859 WeakPolarHBondContact CD1-O 3.38Å; F857-H859 HydrophobicContact CE1-CB 3.99Å
860	T	78.3	Confident	90.6	Very high	53 Å²	53	44 Å²	44	33%	0.325	22%	0.218	S	C	.	.			trans	-99.7	129	169.1	55.4	0	0	0	0	108.6	Y194 R196 L487 L858	Y194-T860 PolarHBondContact OH-OG1 2.78Å; R196-T860 VanDerWaalsContact NH2-CG2 3.28Å; L487-T860 HydrophobicContact CD2-CG2 3.95Å; L858-T860 PolarHBondContact O-N 3.47Å
861	I	56.1	Low	90.4	Very high	119 Å²	119	39.3 Å²	39.3	61%	0.61	20%	0.197	S	C	*	.			trans	-105.5	0	-179.4	-64.7	164.6	0	0	0	110.3	R824 I827	R824-I861 HydrophobicContact CG-CB 4.47Å; R824-I861 HydrophobicContact CG-CD1 3.76Å; R824-I861 VanDerWaalsContact CZ-CG2 3.49Å; R824-I861 VanDerWaalsContact NH2-CG2 3.3Å; I827-I861 HydrophobicContact CD1-CD1 4.15Å

Retrieved 861 of 861 residues in 648.2 ms (Link to these results)

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