A0A087XHZ9_POEFO Loading...

Gamma-aminobutyric acid (GABA) B receptor, 2

AlphaFold DB , UniProt , Accession A0A087XHZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 975 aa.

						>A0A087XHZ9_POEFO|A0A087XHZ9
MFLPAGRLLLFALLFHPGVAKVCNDRTKHEQDNSWFLKKEEALNIMVLMPMNESALMSSISQGIEPAVQLAIEHINDSGEYPFSLITKIYDTECDNAKGLRAFFDAICYGPKHLMIFGGVCPSVTSIIAESLEGWNLVQLSFAATTPVLADKKKYPNFFRTVPSDNAVNPAVIKFLNYYNWSRVGTLTQDVQRFSEVRNDLTYELEKANIHIADTESFSNDPCVNVKKLKDNDVRIIIGQFDEHLASKVFCCAYNLNMYGSKYQWIIPGWYQRNWWEQANNTNCTSRKLLTAMEGYISVDFEPLSSRPVKGISGRTPKEYEKEYYRELQQKGVEASKFHGFAYDGIWVIAKTLNRVRELLRTKERQNMYHNFTVDDREVGKMVLDVMNETNFYGVTGQVMFRNGERMGTIKFNQFQDGQEVKVGEYNSIADILDLQNNSIRFQGVEPPKDRTFVRLQRRHINVPLYSILSTITILGMLMAGAFLFFNIKNRNHRLIKMSSPYMNNLIILGGMLSYASIFLFGLDGGFVSDKEFETLCTVRTWILIVGYTTAFGAMFAKTWRVHAIFKNVKMKKKIIKDQKLLIIVGGMLLIDLCILICWQIVDPLRRTVEEYSLEADPQGRDIAIRPFLEHCENTHMTIWLGIVYAYKGLLMLFGCFLAWETRNVSIPALNDSKYIGMSVYNVGIMCIIGAAVSFLTRDQPNVQFCIVALVIIFCSTITLCLVFVPKLITMRTNPDAATQNRRLKFTQNQKKEDSKTSTSVTSVNQTNTSRLDGLQTDNHRLRMRITELDKELEEVTMQLQDTPEKTPYIKQNHYPDANNILSIRNFTDGKDGEKSILKNHLEQKPQAQWGSMDPSRISRGPLEDINSPEHIQRRLSLQLPILHHAYLPSIGGVDASCTSPNGSPGSSPRHRHMPPSYRVFLPSQFEDQSDASEDIFVCFIVGFSGEKRHKSRYVTLTNKNKKTYILHGDTLKGP
					

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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	27.2	Very low	35.3	Very low	237 Å²	237	134.9 Å²	134.9	100%	1.167	70%	0.697	S	S	*	*				0	45.8	0	-163.9	174.8	-178.6	0	0	111.1
2	F	29.8	Very low	35.8	Very low	205 Å²	205	129.3 Å²	129.3	90%	0.899	69%	0.686	S	S	*	*			trans	-148.7	103.3	176.4	-96.7	-80.3	0	0	0	109.5
3	L	29.8	Very low	36.5	Very low	159 Å²	159	125.5 Å²	125.5	83%	0.832	67%	0.665	S	S	*	*			trans	135.2	125.4	-178.8	-84.1	160.4	0	0	0	105.8
4	P	43.3	Very low	36.9	Very low	85 Å²	85	125.1 Å²	125.1	55%	0.552	66%	0.662	S	S	*	*			cis	-137.5	83.2	43.2	37.9	-18.1	0	0	0	114.7
5	A	33.5	Very low	37.1	Very low	81 Å²	81	127.8 Å²	127.8	67%	0.669	67%	0.667	S	S	*	*	H	α-helix	trans	-77.4	-38.7	170.4	0	0	0	0	0	112.7	R7 L8	A5-R7 PolarHBondContact O-N 3.18Å; A5-L8 PolarHBondContact O-N 2.97Å
6	G	32.3	Very low	37.5	Very low	42 Å²	42	130.3 Å²	130.3	43%	0.433	67%	0.673	S	S	.	*	H	α-helix	trans	-65.6	-31.3	-175.7	0	0	0	0	0	114.9	L9 L10	G6-L9 PolarHBondContact O-N 3.22Å; G6-L10 PolarHBondContact O-N 2.88Å
7	R	36.6	Very low	38	Very low	198 Å²	198	127.6 Å²	127.6	75%	0.747	67%	0.666	S	S	*	*	H	α-helix	trans	-70.4	-31.3	177.7	-86.8	-171.4	174.1	-175.1	-1.5	113.2	A5 F11	A5-R7 PolarHBondContact O-N 3.18Å; R7-F11 PolarHBondContact O-N 2.95Å
8	L	34.4	Very low	38.3	Very low	135 Å²	135	123 Å²	123	71%	0.707	66%	0.655	S	S	*	*	H	α-helix	trans	-69.8	-38.7	174.5	-104.8	93.8	0	0	0	111.9	A5 F11 A12	A5-L8 PolarHBondContact O-N 2.97Å; L8-F11 PolarHBondContact O-N 3.25Å; L8-A12 PolarHBondContact O-N 3.14Å
9	L	40.5	Very low	39	Very low	111 Å²	111	120.6 Å²	120.6	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-66.2	-39.4	175.3	-119.2	124.2	0	0	0	111.5	G6 A12 L13	G6-L9 PolarHBondContact O-N 3.22Å; L9-A12 PolarHBondContact O-N 3.13Å; L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.22Å
10	L	43.4	Very low	39.6	Very low	79 Å²	79	116 Å²	116	41%	0.414	63%	0.625	S	S	.	*	H	α-helix	trans	-62.6	-41.2	170.2	-102.2	144.2	0	0	0	112.4	G6 A12 L13 L14	G6-L10 PolarHBondContact O-N 2.88Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.35Å; L10-L13 CarbonylContact O-C 3.56Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-L14 HydrophobicContact CD2-CD1 4.47Å; L10-L14 VanDerWaalsContact O-CB 3.26Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.26Å; L10-L14 PolarHBondContact O-N 2.94Å
11	F	37.5	Very low	40.1	Very low	152 Å²	152	116.6 Å²	116.6	67%	0.667	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-33.2	174.1	-103.9	-90.3	0	0	0	113.4	R7 L8	R7-F11 PolarHBondContact O-N 2.95Å; L8-F11 PolarHBondContact O-N 3.25Å
12	A	41	Very low	41.5	Very low	68 Å²	68	108.9 Å²	108.9	56%	0.562	59%	0.588	S	S	*	*	H	α-helix	trans	-72.9	-33.8	172.9	0	0	0	0	0	112.8	L8 L9 L10	L8-A12 PolarHBondContact O-N 3.14Å; L9-A12 PolarHBondContact O-N 3.13Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-A12 PolarHBondContact O-N 3.35Å
13	L	45.9	Very low	42.8	Very low	80 Å²	80	99.8 Å²	99.8	42%	0.419	55%	0.549	S	S	.	.	H	α-helix	trans	-82.2	-20.7	177.5	-70.4	167.5	0	0	0	113.6	L9 L10 F15 F104	L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.22Å; L10-L13 CarbonylContact O-C 3.56Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-F15 PolarHBondContact O-N 3.15Å; L13-F104 HydrophobicContact CD2-CE2 4.35Å; L13-F104 HydrophobicContact CD2-CZ 3.95Å
14	L	41.1	Very low	43.9	Very low	119 Å²	119	94.8 Å²	94.8	62%	0.623	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.5	174.2	-79.5	165	0	0	0	113.3	L10 H16	L10-L14 HydrophobicContact CD2-CD1 4.47Å; L10-L14 VanDerWaalsContact O-CB 3.26Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.26Å; L10-L14 PolarHBondContact O-N 2.94Å; L14-H16 PolarHBondContact O-N 3.43Å
15	F	39.8	Very low	44.2	Very low	166 Å²	166	96.2 Å²	96.2	73%	0.728	53%	0.526	S	S	*	.	S	Bend	trans	-68.5	86.1	158.9	-89.8	-85.4	0	0	0	109.7	L13	L13-F15 PolarHBondContact O-N 3.15Å
16	H	43.3	Very low	44.8	Very low	167 Å²	167	100.9 Å²	100.9	77%	0.773	53%	0.527	S	S	*	.			trans	33	164.9	130.4	-118.8	1.7	0	0	0	119.2	L14 G18	L14-H16 PolarHBondContact O-N 3.43Å; H16-G18 PolarHBondContact O-N 2.81Å
17	P	46	Very low	45.6	Very low	85 Å²	85	100.5 Å²	100.5	55%	0.552	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	3.9	-151.1	24.4	-36.8	0	0	0	118.9	V19 A20 K21	P17-V19 PolarHBondContact O-N 2.99Å; P17-A20 PolarHBondContact O-N 3.18Å; P17-K21 WeakPolarHBondContact O-CB 3.44Å; P17-K21 PolarHBondContact O-N 2.63Å
18	G	44.9	Very low	46.1	Very low	45 Å²	45	100.1 Å²	100.1	46%	0.464	52%	0.52	S	S	.	.	H	α-helix	trans	-53.5	-43.4	173	0	0	0	0	0	114.7	H16 V22	H16-G18 PolarHBondContact O-N 2.81Å; G18-V22 VanDerWaalsContact O-CB 3.25Å; G18-V22 WeakPolarHBondContact O-CB 3.11Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.78Å
19	V	51.4	Low	47	Very low	78 Å²	78	96 Å²	96	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-69.8	-46.6	179.7	-178.3	0	0	0	0	111.4	P17 K21 V22 C23	P17-V19 PolarHBondContact O-N 2.99Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.07Å; V19-V22 PolarHBondContact O-N 3.04Å; V19-C23 PolarHBondContact O-N 3.17Å
20	A	51	Low	47.5	Very low	28 Å²	28	98 Å²	98	23%	0.231	50%	0.503	C	S	.	.	H	α-helix	trans	-59.1	-44.4	174.9	0	0	0	0	0	111.6	P17 C23 N24 W135	P17-A20 PolarHBondContact O-N 3.18Å; A20-C23 PolarHBondContact O-N 3.33Å; A20-N24 WeakPolarHBondContact O-CB 3.49Å; A20-N24 PolarHBondContact O-N 2.64Å; A20-W135 VanDerWaalsContact CA-CH2 3.46Å; A20-W135 HydrophobicContact CB-CE3 4.12Å; A20-W135 HydrophobicContact CB-CH2 3.76Å; A20-W135 HydrophobicContact CB-CZ2 4.36Å; A20-W135 HydrophobicContact CB-CZ3 3.6Å
21	K	49.8	Very low	47.8	Very low	128 Å²	128	101.9 Å²	101.9	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-42.2	176.5	-173.8	171	-178	179.1	0	112.6	P17 V19 C23 N24 D25	P17-K21 WeakPolarHBondContact O-CB 3.44Å; P17-K21 PolarHBondContact O-N 2.63Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.07Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.31Å; K21-N24 PolarHBondContact O-N 2.6Å; K21-D25 WeakPolarHBondContact CG-OD2 3.44Å; K21-D25 WeakPolarHBondContact O-CB 3.42Å; K21-D25 PolarHBondContact O-N 3.35Å
22	V	55.4	Low	48.8	Very low	76 Å²	76	96.6 Å²	96.6	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-34.3	176.4	164.1	0	0	0	0	112	G18 V19 R26	G18-V22 VanDerWaalsContact O-CB 3.25Å; G18-V22 WeakPolarHBondContact O-CB 3.11Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.78Å; V19-V22 PolarHBondContact O-N 3.04Å; V22-R26 WeakPolarHBondContact O-CB 3.46Å; V22-R26 VanDerWaalsContact O-CG 3.29Å; V22-R26 WeakPolarHBondContact O-CG 3.48Å; V22-R26 PolarHBondContact O-N 3.09Å
23	C	57.4	Low	49.7	Very low	13 Å²	13	93.5 Å²	93.5	9%	0.088	47%	0.472	C	S	.	.	H	α-helix	trans	-75.6	-40.4	173.5	-67.7	0	0	0	0	112.5	V19 A20 K21 R26 T27 C108	V19-C23 PolarHBondContact O-N 3.17Å; A20-C23 PolarHBondContact O-N 3.33Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.31Å; C23-R26 PolarHBondContact O-N 3.47Å; C23-T27 WeakPolarHBondContact O-CG2 3.33Å; C23-T27 PolarHBondContact O-N 3.18Å; C23-T27 VanDerWaalsContact O-N 3.13Å; C23-T27 PolarHBondContact O-OG1 2.94Å; C23-T27 VanDerWaalsContact O-OG1 3.07Å; C23-C108 HydrophobicContact CB-CB 3.78Å; C23-C108 WeakPolarHBondContact CB-SG 3.36Å; C23-C108 WeakPolarHBondContact SG-CB 3.33Å; C23-C108 CovalentContact SG-SG 2.04Å; C23-C108 PolarHBondContact SG-SG 3.32Å
24	N	52.7	Low	50.2	Low	54 Å²	54	91.9 Å²	91.9	29%	0.289	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.3	-121.8	7.9	0	0	0	112.6	A20 K21 R26 T27	A20-N24 WeakPolarHBondContact O-CB 3.49Å; A20-N24 PolarHBondContact O-N 2.64Å; K21-N24 PolarHBondContact O-N 2.6Å; N24-R26 PolarHBondContact O-N 2.92Å; N24-T27 PolarHBondContact O-N 2.91Å; N24-T27 PolarHBondContact O-OG1 3.49Å
25	D	50.1	Low	51.3	Low	115 Å²	115	88.2 Å²	88.2	62%	0.615	45%	0.445	S	S	*	.	H	α-helix	trans	-64.8	-26.5	178.2	-71.2	-12.8	0	0	0	111.5	K21	K21-D25 WeakPolarHBondContact CG-OD2 3.44Å; K21-D25 WeakPolarHBondContact O-CB 3.42Å; K21-D25 PolarHBondContact O-N 3.35Å
26	R	46.1	Very low	52.4	Low	180 Å²	180	80.5 Å²	80.5	68%	0.679	41%	0.411	S	S	*	.	H	α-helix	trans	-83.2	-33	176.1	-82.6	-177.8	174.7	-166.1	-0.1	114.3	V22 C23 N24	V22-R26 WeakPolarHBondContact O-CB 3.46Å; V22-R26 VanDerWaalsContact O-CG 3.29Å; V22-R26 WeakPolarHBondContact O-CG 3.48Å; V22-R26 PolarHBondContact O-N 3.09Å; C23-R26 PolarHBondContact O-N 3.47Å; N24-R26 PolarHBondContact O-N 2.92Å
27	T	50.5	Low	53.2	Low	34 Å²	34	73.3 Å²	73.3	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-84.2	-11.3	-173.6	49.4	0	0	0	0	114.3	C23 N24 H29 C108	C23-T27 WeakPolarHBondContact O-CG2 3.33Å; C23-T27 PolarHBondContact O-N 3.18Å; C23-T27 VanDerWaalsContact O-N 3.13Å; C23-T27 PolarHBondContact O-OG1 2.94Å; C23-T27 VanDerWaalsContact O-OG1 3.07Å; N24-T27 PolarHBondContact O-N 2.91Å; N24-T27 PolarHBondContact O-OG1 3.49Å; T27-H29 PolarHBondContact O-N 2.75Å; T27-H29 PolarHBondContact OG1-CD2 2.81Å; T27-H29 VanDerWaalsContact OG1-CD2 3.31Å; T27-C108 WeakPolarHBondContact CG2-O 3.41Å
28	K	46.6	Very low	54.1	Low	189 Å²	189	75 Å²	75	82%	0.822	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	32.1	-166.8	-68.9	-173.6	173.6	-176.1	0	112.4	E30	K28-E30 PolarHBondContact O-N 3.39Å
29	H	53.4	Low	54.7	Low	50 Å²	50	80 Å²	80	23%	0.231	39%	0.386	C	S	.	.			trans	-68.9	103.2	164.1	-72.4	-24.8	0	0	0	107.8	T27 Q31 K112	T27-H29 PolarHBondContact O-N 2.75Å; T27-H29 PolarHBondContact OG1-CD2 2.81Å; T27-H29 VanDerWaalsContact OG1-CD2 3.31Å; H29-Q31 PolarHBondContact O-N 3.47Å; H29-K112 HydrophobicContact CB-CD 4.4Å; H29-K112 PolarHBondContact CE1-N 3.24Å; H29-K112 PolarHBondContact NE2-N 3.01Å
30	E	49.6	Very low	55.2	Low	153 Å²	153	83.8 Å²	83.8	72%	0.715	40%	0.399	S	S	*	.			trans	-52	136.6	170.4	-68.1	178.9	144.6	0	0	108.4	K28 D32	K28-E30 PolarHBondContact O-N 3.39Å; E30-D32 PolarHBondContact O-N 3.08Å
31	Q	51.3	Low	56.2	Low	160 Å²	160	85.3 Å²	85.3	75%	0.748	40%	0.401	S	S	*	.	S	Bend	trans	-65	-5.4	176.3	-70.8	-178.7	-34.2	0	0	112.4	H29	H29-Q31 PolarHBondContact O-N 3.47Å
32	D	57.7	Low	57.6	Low	41 Å²	41	81.1 Å²	81.1	22%	0.219	39%	0.39	C	S	.	.			trans	-95	116.7	175.8	-178.7	25.2	0	0	0	111.5	E30 S34 T373 V374	E30-D32 PolarHBondContact O-N 3.08Å; D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact O-N 3.33Å; D32-S34 WeakPolarHBondContact OD1-CB 3.41Å; D32-S34 PolarHBondContact OD1-N 2.92Å; D32-S34 WeakPolarHBondContact OD2-CB 3.25Å; D32-S34 PolarHBondContact OD2-OG 3.09Å; D32-T373 WeakPolarHBondContact OD1-CA 3.43Å; D32-V374 PolarHBondContact OD1-N 2.75Å; D32-V374 VanDerWaalsContact OD1-N 3.07Å
33	N	59.8	Low	59.1	Low	2 Å²	2	77.5 Å²	77.5	1%	0.011	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-84.3	20.1	172.7	-63.8	-67.9	0	0	0	114.5	W35 F36 K112 V374 D376	N33-W35 PolarHBondContact O-N 2.88Å; N33-W35 VanDerWaalsContact O-N 3.08Å; N33-W35 PolarHBondContact OD1-NE1 2.73Å; N33-F36 VanDerWaalsContact O-CB 3.25Å; N33-F36 WeakPolarHBondContact O-CB 3.5Å; N33-F36 PolarHBondContact O-N 3.01Å; N33-K112 VanDerWaalsContact OD1-CE 3.3Å; N33-K112 WeakPolarHBondContact OD1-CE 2.91Å; N33-K112 PolarHBondContact OD1-NZ 3.25Å; N33-V374 HydrophobicContact CB-CB 3.82Å; N33-V374 HydrophobicContact CB-CG1 3.8Å; N33-V374 PolarHBondContact N-O 3.25Å; N33-V374 PolarHBondContact ND2-O 2.79Å; N33-D376 PolarHBondContact ND2-OD1 3.2Å; N33-D376 PolarHBondContact OD1-OD1 3.11Å
34	S	57.3	Low	60.5	Low	47 Å²	47	78.4 Å²	78.4	33%	0.329	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-54.1	-26.1	174.8	62.3	0	0	0	0	114.1	D32 F36 L37	D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact O-N 3.33Å; D32-S34 WeakPolarHBondContact OD1-CB 3.41Å; D32-S34 PolarHBondContact OD1-N 2.92Å; D32-S34 WeakPolarHBondContact OD2-CB 3.25Å; D32-S34 PolarHBondContact OD2-OG 3.09Å; S34-F36 VanDerWaalsContact C-N 3.26Å; S34-F36 PolarHBondContact O-N 3.04Å; S34-L37 WeakPolarHBondContact O-CB 3.38Å; S34-L37 PolarHBondContact O-N 3.35Å
35	W	64	Low	62.3	Low	42 Å²	42	75.9 Å²	75.9	16%	0.159	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-52.5	-42.5	170.1	68.6	-88.1	0	0	0	112.3	N33 L37 K38 L43 K112 L114	N33-W35 PolarHBondContact O-N 2.88Å; N33-W35 VanDerWaalsContact O-N 3.08Å; N33-W35 PolarHBondContact OD1-NE1 2.73Å; W35-L37 PolarHBondContact O-N 2.93Å; W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 WeakPolarHBondContact O-CG 3.39Å; W35-K38 PolarHBondContact O-N 3.28Å; W35-L43 HydrophobicContact CH2-CD2 4.43Å; W35-L43 HydrophobicContact CZ3-CD2 3.86Å; W35-K112 HydrophobicContact CZ2-CB 4.28Å; W35-K112 HydrophobicContact CZ2-CD 4.11Å; W35-K112 HydrophobicContact CZ2-CG 4.25Å; W35-L114 HydrophobicContact CH2-CD1 4.1Å; W35-L114 HydrophobicContact CH2-CD2 4.11Å; W35-L114 HydrophobicContact CH2-CG 4.13Å; W35-L114 HydrophobicContact CZ2-CD2 4.04Å
36	F	62	Low	64.3	Low	4 Å²	4	70.4 Å²	70.4	2%	0.018	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-57.8	-16.1	-178.6	-176.9	-108.4	0	0	0	114.6	N33 S34 L43 L114 L353 V356 R357 L360	N33-F36 VanDerWaalsContact O-CB 3.25Å; N33-F36 WeakPolarHBondContact O-CB 3.5Å; N33-F36 PolarHBondContact O-N 3.01Å; S34-F36 VanDerWaalsContact C-N 3.26Å; S34-F36 PolarHBondContact O-N 3.04Å; F36-L43 HydrophobicContact CD2-CD2 3.86Å; F36-L43 HydrophobicContact CE2-CD1 3.83Å; F36-L43 HydrophobicContact CE2-CD2 4.03Å; F36-L114 HydrophobicContact CD2-CD1 3.65Å; F36-L114 HydrophobicContact CD2-CD2 4.37Å; F36-L114 HydrophobicContact CE2-CD1 3.5Å; F36-L353 HydrophobicContact CE2-CD2 4.32Å; F36-L353 HydrophobicContact CZ-CB 4.33Å; F36-L353 HydrophobicContact CZ-CD2 4.26Å; F36-L353 WeakPolarHBondContact CZ-O 3.31Å; F36-V356 HydrophobicContact CE1-CG1 4.29Å; F36-R357 HydrophobicContact CD1-CB 4.47Å; F36-R357 HydrophobicContact CE1-CB 3.69Å; F36-R357 HydrophobicContact CE1-CG 4.21Å; F36-R357 HydrophobicContact CZ-CB 4.13Å; F36-R357 PolarHBondContact O-NE 2.88Å; F36-R357 PolarHBondContact O-NH2 2.91Å; F36-R357 VanDerWaalsContact O-NH2 3.15Å; F36-L360 HydrophobicContact CD1-CD1 3.68Å; F36-L360 HydrophobicContact CE1-CD1 3.9Å
37	L	59.3	Low	66.5	Low	16 Å²	16	62 Å²	62	8%	0.084	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-90.3	-16.4	179.6	-65	164.5	0	0	0	114	S34 W35 R357 L360 R361 F372	S34-L37 WeakPolarHBondContact O-CB 3.38Å; S34-L37 PolarHBondContact O-N 3.35Å; W35-L37 PolarHBondContact O-N 2.93Å; L37-R357 HydrophobicContact CD2-CG 4.28Å; L37-L360 HydrophobicContact CD2-CB 3.85Å; L37-R361 HydrophobicContact CD2-CG 3.53Å; L37-R361 PolarHBondContact O-NH2 3.08Å; L37-F372 HydrophobicContact CD1-CE1 4.02Å
38	K	65.9	Low	68.5	Low	119 Å²	119	60.5 Å²	60.5	52%	0.517	29%	0.289	S	S	.	.	S	Bend	trans	-62.7	151.1	-179.7	-64.1	178.2	-168.7	157.6	0	111.1	W35 E41	W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 WeakPolarHBondContact O-CG 3.39Å; W35-K38 PolarHBondContact O-N 3.28Å; K38-E41 HydrophobicContact CB-CB 4.36Å; K38-E41 WeakPolarHBondContact CD-OE2 3.48Å
39	K	57.4	Low	70.6	Confident	151 Å²	151	51.7 Å²	51.7	66%	0.657	25%	0.25	S	S	*	.	S	Bend	trans	-85.9	143.3	178.1	-157	-174	176.9	-156.4	0	108.8	E41	K39-E41 PolarHBondContact O-N 2.99Å
40	E	62.1	Low	72.4	Confident	157 Å²	157	49.3 Å²	49.3	73%	0.734	24%	0.239	S	C	*	.	S	Bend	trans	66.7	10.8	177.6	-64.9	154.7	-145.6	0	0	115.6	P82	E40-P82 PolarHBondContact N-O 3.3Å
41	E	71.9	Confident	74	Confident	61 Å²	61	44.5 Å²	44.5	29%	0.285	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-80.4	138.1	175.6	-165.6	158.9	-152.3	0	0	112.3	K38 K39	K38-E41 HydrophobicContact CB-CB 4.36Å; K38-E41 WeakPolarHBondContact CD-OE2 3.48Å; K39-E41 PolarHBondContact O-N 2.99Å
42	A	79.8	Confident	75.4	Confident	39 Å²	39	39.5 Å²	39.5	32%	0.322	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-84.5	128.8	-176.9	0	0	0	0	0	112	S84 I86	A42-S84 WeakPolarHBondContact CA-O 3.38Å; A42-I86 HydrophobicContact CB-CD1 3.58Å; A42-I86 HydrophobicContact CB-CG1 4.1Å
43	L	85.7	Confident	76.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.1	-175.1	-58	-175.4	0	0	0	111.7	W35 F36 F83 S84 L85 I86 L114 L353	W35-L43 HydrophobicContact CH2-CD2 4.43Å; W35-L43 HydrophobicContact CZ3-CD2 3.86Å; F36-L43 HydrophobicContact CD2-CD2 3.86Å; F36-L43 HydrophobicContact CE2-CD1 3.83Å; F36-L43 HydrophobicContact CE2-CD2 4.03Å; L43-F83 HydrophobicContact CD1-CB 4.28Å; L43-F83 HydrophobicContact CD1-CD1 4.44Å; L43-F83 HydrophobicContact CD1-CD2 3.56Å; L43-F83 HydrophobicContact CD1-CE2 3.93Å; L43-F83 HydrophobicContact CD1-CG 3.85Å; L43-F83 HydrophobicContact CD1-CZ 4.49Å; L43-F83 HydrophobicContact CG-CB 4.26Å; L43-F83 HydrophobicContact CG-CD2 4.14Å; L43-F83 HydrophobicContact CG-CG 4.34Å; L43-S84 PolarHBondContact N-O 2.9Å; L43-L85 HydrophobicContact CB-CD2 3.99Å; L43-L85 HydrophobicContact CD1-CD2 4.23Å; L43-I86 PolarHBondContact O-N 3.44Å; L43-L114 HydrophobicContact CB-CD1 4.34Å; L43-L114 HydrophobicContact CD1-CD1 4.28Å; L43-L114 HydrophobicContact CD2-CD1 4Å; L43-L114 HydrophobicContact CG-CD1 4.45Å; L43-L353 HydrophobicContact CD1-CB 4.4Å; L43-L353 HydrophobicContact CD1-CD1 3.98Å
44	N	86.5	Confident	76.5	Confident	31 Å²	31	49.6 Å²	49.6	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.4	178.7	-61.8	-78.3	0	0	0	111.5	I86 P111 L114	N44-I86 WeakPolarHBondContact CA-O 3.25Å; N44-P111 HydrophobicContact CB-CB 4.32Å; N44-P111 HydrophobicContact CB-CG 3.89Å; N44-L114 PolarHBondContact O-N 2.92Å
45	I	90.3	Very high	76.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128	171.3	-60.4	165	0	0	0	107.9	V47 L85 I86 K88 F117 I349	I45-V47 HydrophobicContact CG2-CG2 4.34Å; I45-L85 HydrophobicContact CD1-CB 4.22Å; I45-L85 HydrophobicContact CD1-CD1 3.94Å; I45-L85 HydrophobicContact CD1-CD2 3.88Å; I45-L85 HydrophobicContact CD1-CG 4.23Å; I45-I86 PolarHBondContact N-O 3.02Å; I45-K88 PolarHBondContact O-N 3.16Å; I45-F117 HydrophobicContact CG2-CB 3.81Å; I45-I349 HydrophobicContact CD1-CG2 3.61Å; I45-I349 HydrophobicContact CG1-CG2 4.24Å; I45-I349 HydrophobicContact CG2-CD1 4.48Å
46	M	92.2	Very high	76.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.3	174.5	-173.2	-175.2	-59.9	0	0	108.8	L48 Y90 F103 A106 I107 H113 M115 I116 F117	M46-L48 HydrophobicContact CG-CD2 4.07Å; M46-L48 HydrophobicContact CG-CG 4.3Å; M46-L48 HydrophobicContact SD-CD1 4.36Å; M46-L48 HydrophobicContact SD-CD2 4.11Å; M46-L48 HydrophobicContact SD-CG 4.33Å; M46-Y90 HydrophobicContact CG-CD2 4.02Å; M46-Y90 HydrophobicContact CG-CE2 4.08Å; M46-F103 HydrophobicContact SD-CD2 3.91Å; M46-F103 HydrophobicContact SD-CE2 4.31Å; M46-A106 HydrophobicContact CE-CB 3.71Å; M46-A106 HydrophobicContact CG-CB 4.35Å; M46-A106 HydrophobicContact SD-CB 3.94Å; M46-I107 HydrophobicContact CE-CG1 3.79Å; M46-H113 HydrophobicContact CB-CB 4.07Å; M46-H113 HydrophobicContact CE-CB 4.1Å; M46-H113 WeakPolarHBondContact CE-ND1 3.39Å; M46-H113 PolarHBondContact N-CD2 3Å; M46-M115 PolarHBondContact N-O 3.49Å; M46-M115 VanDerWaalsContact N-O 3.11Å; M46-I116 HydrophobicContact CB-CG1 4.44Å; M46-I116 CarbonylContact O-C 3.51Å; M46-I116 WeakPolarHBondContact O-CA 3.47Å; M46-I116 HydrophobicContact SD-CG1 4.2Å; M46-F117 PolarHBondContact O-N 2.96Å
47	V	93.2	Very high	77.2	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.9	-179.3	-179.3	0	0	0	0	109.8	I45 M49 T87 K88 I89 Y90 F117	I45-V47 HydrophobicContact CG2-CG2 4.34Å; V47-M49 HydrophobicContact CG1-CE 3.56Å; V47-M49 HydrophobicContact CG1-CG 4.23Å; V47-M49 HydrophobicContact CG1-SD 4.28Å; V47-T87 HydrophobicContact CG2-CG2 3.75Å; V47-K88 PolarHBondContact N-O 3.15Å; V47-I89 HydrophobicContact CB-CG1 4.13Å; V47-I89 HydrophobicContact CG1-CG1 4.13Å; V47-I89 WeakPolarHBondContact O-CA 3.4Å; V47-Y90 PolarHBondContact O-N 2.9Å; V47-F117 WeakPolarHBondContact CA-O 3.3Å; V47-F117 HydrophobicContact CG1-CD1 4.43Å; V47-F117 HydrophobicContact CG2-CB 4.35Å; V47-F117 HydrophobicContact CG2-CD1 4.28Å
48	L	92	Very high	78	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.7	-177.3	-58.9	-176.5	0	0	0	110.5	M46 Y90 T92 F103 I116 F117 G119 I128	M46-L48 HydrophobicContact CG-CD2 4.07Å; M46-L48 HydrophobicContact CG-CG 4.3Å; M46-L48 HydrophobicContact SD-CD1 4.36Å; M46-L48 HydrophobicContact SD-CD2 4.11Å; M46-L48 HydrophobicContact SD-CG 4.33Å; L48-Y90 HydrophobicContact CD2-CD2 4.45Å; L48-T92 HydrophobicContact CB-CG2 4.03Å; L48-F103 HydrophobicContact CD1-CD2 4.21Å; L48-I116 HydrophobicContact CD1-CG2 3.84Å; L48-I116 HydrophobicContact CG-CG2 4.07Å; L48-F117 PolarHBondContact N-O 3.28Å; L48-G119 PolarHBondContact O-N 2.89Å; L48-I128 HydrophobicContact CD1-CD1 3.6Å; L48-I128 HydrophobicContact CD1-CG2 4.47Å
49	M	91.1	Very high	78.8	Confident	4 Å²	4	53 Å²	53	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.1	-179.1	54.2	173.7	61.9	0	0	111.3	V47 M51 I89 Y90 D91 T92 V120 F142	V47-M49 HydrophobicContact CG1-CE 3.56Å; V47-M49 HydrophobicContact CG1-CG 4.23Å; V47-M49 HydrophobicContact CG1-SD 4.28Å; M49-M51 HydrophobicContact CG-CG 4.31Å; M49-M51 HydrophobicContact CG-SD 3.82Å; M49-M51 PolarHBondContact O-N 2.86Å; M49-M51 HydrophobicContact SD-SD 3.66Å; M49-M51 VanDerWaalsContact SD-SD 3.66Å; M49-I89 HydrophobicContact CG-CG2 3.93Å; M49-I89 HydrophobicContact SD-CG2 4.33Å; M49-Y90 PolarHBondContact N-O 3.31Å; M49-D91 WeakPolarHBondContact O-CA 3.36Å; M49-T92 VanDerWaalsContact C-OG1 3.32Å; M49-T92 PolarHBondContact O-N 3.41Å; M49-T92 PolarHBondContact O-OG1 3.06Å; M49-V120 HydrophobicContact CB-CG2 4.32Å; M49-F142 HydrophobicContact CE-CE1 4.18Å; M49-F142 HydrophobicContact CE-CZ 3.91Å
50	P	90.6	Very high	80	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.			trans	-72.8	123	173.4	29.4	-34.7	0	0	0	110.2	A55 S61 D91 C94	P50-A55 HydrophobicContact CB-CB 4.17Å; P50-S61 VanDerWaalsContact CD-OG 3.29Å; P50-S61 WeakPolarHBondContact CD-OG 3.38Å; P50-S61 WeakPolarHBondContact CG-OG 3.44Å; P50-S61 WeakPolarHBondContact O-CB 3.2Å; P50-S61 PolarHBondContact O-OG 3.08Å; P50-D91 VanDerWaalsContact CA-OD1 3.31Å; P50-D91 WeakPolarHBondContact CA-OD1 3.39Å; P50-C94 VanDerWaalsContact CG-SG 3.58Å
51	M	83.2	Confident	81.1	Confident	53 Å²	53	39.6 Å²	39.6	26%	0.261	22%	0.222	S	C	.	.			trans	-111.6	-32.1	-179	-65	-60.5	-67.1	0	0	113.2	M49 E53 I89 D91	M49-M51 HydrophobicContact CG-CG 4.31Å; M49-M51 HydrophobicContact CG-SD 3.82Å; M49-M51 PolarHBondContact O-N 2.86Å; M49-M51 HydrophobicContact SD-SD 3.66Å; M49-M51 VanDerWaalsContact SD-SD 3.66Å; M51-E53 PolarHBondContact O-N 3.32Å; M51-I89 HydrophobicContact CG-CG2 3.81Å; M51-I89 HydrophobicContact SD-CG2 4.04Å; M51-D91 HydrophobicContact CB-CB 4.25Å; M51-D91 VanDerWaalsContact N-CG 3.32Å; M51-D91 PolarHBondContact N-OD1 3.34Å; M51-D91 PolarHBondContact N-OD2 3.3Å
52	N	82.1	Confident	81.7	Confident	54 Å²	54	39.5 Å²	39.5	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	-55	123.2	172.9	179.6	-3.2	0	0	0	111.3	S54 A55 S58 D91 E93	N52-S54 PolarHBondContact ND2-OG 3.04Å; N52-S54 PolarHBondContact O-N 2.99Å; N52-S54 VanDerWaalsContact O-N 3.16Å; N52-S54 PolarHBondContact OD1-N 3.24Å; N52-S54 PolarHBondContact OD1-OG 3.25Å; N52-A55 HydrophobicContact CB-CB 4.28Å; N52-A55 VanDerWaalsContact O-CB 3.27Å; N52-A55 WeakPolarHBondContact O-CB 3.3Å; N52-A55 PolarHBondContact O-N 3.12Å; N52-S58 WeakPolarHBondContact O-CB 3.23Å; N52-D91 WeakPolarHBondContact CB-OD2 3.47Å; N52-D91 PolarHBondContact N-OD2 3.27Å; N52-E93 HydrophobicContact CB-CG 3.96Å; N52-E93 PolarHBondContact ND2-OE2 3.31Å
53	E	71.2	Confident	82.2	Confident	154 Å²	154	37.6 Å²	37.6	72%	0.72	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.3	-180	-67.3	-178.4	168.1	0	0	112.9	M51 A55 S58	M51-E53 PolarHBondContact O-N 3.32Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.22Å; E53-S58 PolarHBondContact O-OG 2.92Å
54	S	68.6	Low	82.5	Confident	101 Å²	101	37.6 Å²	37.6	71%	0.706	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.8	179.3	64.3	0	0	0	0	114.6	N52	N52-S54 PolarHBondContact ND2-OG 3.04Å; N52-S54 PolarHBondContact O-N 2.99Å; N52-S54 VanDerWaalsContact O-N 3.16Å; N52-S54 PolarHBondContact OD1-N 3.24Å; N52-S54 PolarHBondContact OD1-OG 3.25Å
55	A	64.3	Low	82.5	Confident	12 Å²	12	38.6 Å²	38.6	10%	0.099	21%	0.21	C	C	.	.	S	Bend	trans	-78.2	144.1	177.1	0	0	0	0	0	111.7	P50 N52 E53 M57 S58 E93	P50-A55 HydrophobicContact CB-CB 4.17Å; N52-A55 HydrophobicContact CB-CB 4.28Å; N52-A55 VanDerWaalsContact O-CB 3.27Å; N52-A55 WeakPolarHBondContact O-CB 3.3Å; N52-A55 PolarHBondContact O-N 3.12Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.22Å; A55-M57 PolarHBondContact O-N 3.32Å; A55-S58 VanDerWaalsContact O-CB 3.3Å; A55-S58 WeakPolarHBondContact O-CB 3.22Å; A55-S58 PolarHBondContact O-N 3.34Å; A55-S58 PolarHBondContact O-OG 3.22Å; A55-S58 VanDerWaalsContact O-OG 3.12Å; A55-E93 HydrophobicContact CB-CB 4.33Å
56	L	61.8	Low	82.6	Confident	138 Å²	138	38.7 Å²	38.7	72%	0.723	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	138.2	171.5	-163.7	77.1	0	0	0	109.6	S58 C94	L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.17Å; L56-C94 PolarHBondContact O-SG 2.94Å; L56-C94 VanDerWaalsContact O-SG 3.32Å
57	M	72.6	Confident	82.7	Confident	75 Å²	75	38.7 Å²	38.7	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	12.5	-178.7	-49.7	-177.5	120.3	0	0	116	A55 S59 I60 V120	A55-M57 PolarHBondContact O-N 3.32Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-S59 PolarHBondContact O-N 3.11Å; M57-I60 HydrophobicContact CB-CD1 4.04Å; M57-I60 HydrophobicContact CB-CG1 4.41Å; M57-I60 HydrophobicContact CE-CD1 4.01Å; M57-I60 HydrophobicContact CG-CD1 4.29Å; M57-I60 WeakPolarHBondContact O-CB 3.26Å; M57-I60 PolarHBondContact O-N 2.7Å; M57-I60 VanDerWaalsContact O-N 3.09Å; M57-V120 HydrophobicContact CB-CG1 4.13Å; M57-V120 HydrophobicContact SD-CG1 4.06Å
58	S	76.6	Confident	82.8	Confident	15 Å²	15	39 Å²	39	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-54.9	-41.8	176.4	57.6	0	0	0	0	113.8	N52 E53 A55 L56 I60 S61 Q62	N52-S58 WeakPolarHBondContact O-CB 3.23Å; E53-S58 PolarHBondContact O-OG 2.92Å; A55-S58 VanDerWaalsContact O-CB 3.3Å; A55-S58 WeakPolarHBondContact O-CB 3.22Å; A55-S58 PolarHBondContact O-N 3.34Å; A55-S58 PolarHBondContact O-OG 3.22Å; A55-S58 VanDerWaalsContact O-OG 3.12Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.17Å; S58-I60 PolarHBondContact O-N 3.42Å; S58-S61 WeakPolarHBondContact O-CB 3.34Å; S58-S61 PolarHBondContact O-N 2.89Å; S58-Q62 PolarHBondContact O-N 2.87Å; S58-Q62 VanDerWaalsContact O-N 3.1Å
59	S	81.1	Confident	82.8	Confident	59 Å²	59	42.3 Å²	42.3	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-28.8	177	60.1	0	0	0	0	113.8	M57 G63	M57-S59 VanDerWaalsContact C-N 3.33Å; M57-S59 PolarHBondContact O-N 3.11Å; S59-G63 PolarHBondContact O-N 3.14Å; S59-G63 VanDerWaalsContact O-N 3.09Å
60	I	83.8	Confident	82.9	Confident	28 Å²	28	42.3 Å²	42.3	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-44.4	175.3	-61.9	-176.2	0	0	0	110	M57 S58 I64 V120 S336 F338	M57-I60 HydrophobicContact CB-CD1 4.04Å; M57-I60 HydrophobicContact CB-CG1 4.41Å; M57-I60 HydrophobicContact CE-CD1 4.01Å; M57-I60 HydrophobicContact CG-CD1 4.29Å; M57-I60 WeakPolarHBondContact O-CB 3.26Å; M57-I60 PolarHBondContact O-N 2.7Å; M57-I60 VanDerWaalsContact O-N 3.09Å; S58-I60 PolarHBondContact O-N 3.42Å; I60-I64 HydrophobicContact CG2-CD1 3.7Å; I60-I64 WeakPolarHBondContact O-CB 3.35Å; I60-I64 WeakPolarHBondContact O-CD1 3.43Å; I60-I64 WeakPolarHBondContact O-CG1 3.37Å; I60-I64 PolarHBondContact O-N 2.78Å; I60-V120 HydrophobicContact CB-CG1 4.4Å; I60-V120 HydrophobicContact CD1-CG1 4.36Å; I60-V120 HydrophobicContact CG2-CG1 4.07Å; I60-S336 PolarHBondContact O-OG 3.18Å; I60-F338 HydrophobicContact CD1-CD2 4.46Å; I60-F338 HydrophobicContact CD1-CE2 4.06Å; I60-F338 HydrophobicContact CG2-CD2 3.85Å; I60-F338 HydrophobicContact CG2-CE2 4.42Å
61	S	85.3	Confident	83.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-47.6	179.6	-51.4	0	0	0	0	111.9	P50 S58 G63 I64 E65	P50-S61 VanDerWaalsContact CD-OG 3.29Å; P50-S61 WeakPolarHBondContact CD-OG 3.38Å; P50-S61 WeakPolarHBondContact CG-OG 3.44Å; P50-S61 WeakPolarHBondContact O-CB 3.2Å; P50-S61 PolarHBondContact O-OG 3.08Å; S58-S61 WeakPolarHBondContact O-CB 3.34Å; S58-S61 PolarHBondContact O-N 2.89Å; S61-G63 VanDerWaalsContact C-N 3.32Å; S61-G63 PolarHBondContact O-N 2.94Å; S61-I64 PolarHBondContact O-N 3.13Å; S61-E65 PolarHBondContact O-N 3.38Å; S61-E65 VanDerWaalsContact O-N 3.12Å
62	Q	84.9	Confident	83.7	Confident	58 Å²	58	40.9 Å²	40.9	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-57.2	-46.1	179.2	-67.4	178.2	-18.9	0	0	111	S58 I64 P66 V333	S58-Q62 PolarHBondContact O-N 2.87Å; S58-Q62 VanDerWaalsContact O-N 3.1Å; Q62-I64 PolarHBondContact O-N 3.11Å; Q62-P66 WeakPolarHBondContact O-CD 3.48Å; Q62-V333 HydrophobicContact CB-CG1 3.67Å
63	G	88.5	Confident	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.3	176.4	0	0	0	0	0	114.7	S59 S61 Y324 E334	S59-G63 PolarHBondContact O-N 3.14Å; S59-G63 VanDerWaalsContact O-N 3.09Å; S61-G63 VanDerWaalsContact C-N 3.32Å; S61-G63 PolarHBondContact O-N 2.94Å; G63-Y324 VanDerWaalsContact O-CE2 3.3Å; G63-Y324 WeakPolarHBondContact O-CE2 3.31Å; G63-Y324 PolarHBondContact O-OH 3.32Å; G63-E334 WeakPolarHBondContact CA-O 3.46Å
64	I	91.9	Very high	85.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-29.9	-178.4	-74.9	168.3	0	0	0	112.7	I60 S61 Q62 P66 A67 V68 F142 F338 A342	I60-I64 HydrophobicContact CG2-CD1 3.7Å; I60-I64 WeakPolarHBondContact O-CB 3.35Å; I60-I64 WeakPolarHBondContact O-CD1 3.43Å; I60-I64 WeakPolarHBondContact O-CG1 3.37Å; I60-I64 PolarHBondContact O-N 2.78Å; S61-I64 PolarHBondContact O-N 3.13Å; Q62-I64 PolarHBondContact O-N 3.11Å; I64-P66 VanDerWaalsContact C-N 3.34Å; I64-A67 WeakPolarHBondContact O-CB 3.05Å; I64-A67 PolarHBondContact O-N 3.31Å; I64-V68 HydrophobicContact CG2-CG2 3.92Å; I64-V68 PolarHBondContact O-N 3.25Å; I64-F142 HydrophobicContact CD1-CD2 3.64Å; I64-F142 HydrophobicContact CD1-CE2 3.25Å; I64-F142 HydrophobicContact CD1-CZ 4.09Å; I64-F142 HydrophobicContact CG2-CE2 4.32Å; I64-F142 HydrophobicContact CG2-CZ 4.22Å; I64-F338 HydrophobicContact CD1-CB 3.79Å; I64-A342 HydrophobicContact CG2-CB 3.43Å; I64-A342 VanDerWaalsContact CG2-CB 3.43Å
65	E	88.3	Confident	86.4	Confident	53 Å²	53	31.6 Å²	31.6	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-49.8	-44.2	178	-165	-155.3	116.6	0	0	113.7	S61 A67 V68 Q69 K331	S61-E65 PolarHBondContact O-N 3.38Å; S61-E65 VanDerWaalsContact O-N 3.12Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.39Å; E65-V68 PolarHBondContact O-N 3.48Å; E65-Q69 PolarHBondContact O-N 3.48Å; E65-Q69 PolarHBondContact OE1-NE2 3.41Å; E65-K331 IonicContact OE1-NZ 3.87Å; E65-K331 PolarHBondContact OE1-NZ 3.22Å
66	P	92.4	Very high	87.6	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.013	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.6	-18	31.2	0	0	0	112.9	Q62 I64 Q69 L70 Y324 E327 L328 K331	Q62-P66 WeakPolarHBondContact O-CD 3.48Å; I64-P66 VanDerWaalsContact C-N 3.34Å; P66-Q69 PolarHBondContact O-N 3.19Å; P66-L70 WeakPolarHBondContact O-CB 3.4Å; P66-L70 WeakPolarHBondContact O-CG 3.35Å; P66-L70 PolarHBondContact O-N 2.92Å; P66-Y324 HydrophobicContact CB-CD2 4.44Å; P66-Y324 HydrophobicContact CB-CE2 4.38Å; P66-E327 HydrophobicContact CB-CB 4.02Å; P66-L328 HydrophobicContact CG-CD2 4.14Å; P66-K331 HydrophobicContact CG-CD 4.29Å
67	A	94.6	Very high	88.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-34.8	178.2	0	0	0	0	0	112.1	I64 E65 A71 Y320 Y324 H339 Y343	I64-A67 WeakPolarHBondContact O-CB 3.05Å; I64-A67 PolarHBondContact O-N 3.31Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.39Å; A67-A71 WeakPolarHBondContact O-CB 3.4Å; A67-A71 PolarHBondContact O-N 3.26Å; A67-A71 VanDerWaalsContact O-N 3.11Å; A67-Y320 WeakPolarHBondContact CB-OH 3.47Å; A67-Y324 HydrophobicContact CB-CD2 4.03Å; A67-Y324 HydrophobicContact CB-CE2 4.02Å; A67-H339 HydrophobicContact CB-CB 3.99Å; A67-Y343 WeakPolarHBondContact O-CD2 3.29Å
68	V	93.8	Very high	89.7	Confident	10 Å²	10	32.9 Å²	32.9	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-42.3	173.9	171.4	0	0	0	0	111	I64 E65 A71 I72 T87 F117 A342 I346	I64-V68 HydrophobicContact CG2-CG2 3.92Å; I64-V68 PolarHBondContact O-N 3.25Å; E65-V68 PolarHBondContact O-N 3.48Å; V68-A71 PolarHBondContact O-N 2.9Å; V68-I72 HydrophobicContact CG1-CD1 4.08Å; V68-I72 WeakPolarHBondContact O-CG1 3.45Å; V68-I72 PolarHBondContact O-N 2.99Å; V68-I72 VanDerWaalsContact O-N 3.12Å; V68-T87 HydrophobicContact CG1-CG2 4.12Å; V68-F117 HydrophobicContact CG2-CE1 3.91Å; V68-A342 HydrophobicContact CG2-CB 4.32Å; V68-I346 HydrophobicContact CB-CG1 4.49Å; V68-I346 HydrophobicContact CG1-CD1 3.98Å; V68-I346 HydrophobicContact CG1-CG1 4.1Å; V68-I346 HydrophobicContact CG2-CG1 4.28Å
69	Q	92.2	Very high	90	Very high	72 Å²	72	35.4 Å²	35.4	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-49	177.4	-75	164.4	2.5	0	0	111.9	E65 P66 A71 I72 E73	E65-Q69 PolarHBondContact O-N 3.48Å; E65-Q69 PolarHBondContact OE1-NE2 3.41Å; P66-Q69 PolarHBondContact O-N 3.19Å; Q69-A71 PolarHBondContact O-N 2.93Å; Q69-I72 PolarHBondContact O-N 3.46Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.64Å
70	L	94.4	Very high	90.1	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-35.7	173.4	-75.7	170.7	0	0	0	112.8	P66 H74 E323 E327 Y343	P66-L70 WeakPolarHBondContact O-CB 3.4Å; P66-L70 WeakPolarHBondContact O-CG 3.35Å; P66-L70 PolarHBondContact O-N 2.92Å; L70-H74 WeakPolarHBondContact O-CB 3.36Å; L70-H74 PolarHBondContact O-CD2 3.31Å; L70-H74 PolarHBondContact O-N 3.32Å; L70-H74 PolarHBondContact O-ND1 3.36Å; L70-E323 HydrophobicContact CD1-CB 4.47Å; L70-E327 HydrophobicContact CD1-CG 3.88Å; L70-E327 HydrophobicContact CD2-CG 3.91Å; L70-E327 HydrophobicContact CG-CG 4.01Å; L70-Y343 HydrophobicContact CB-CE2 4.39Å
71	A	95.2	Very high	90.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-44.5	175.6	0	0	0	0	0	112	A67 V68 Q69 H74 I75 Y343 I346	A67-A71 WeakPolarHBondContact O-CB 3.4Å; A67-A71 PolarHBondContact O-N 3.26Å; A67-A71 VanDerWaalsContact O-N 3.11Å; V68-A71 PolarHBondContact O-N 2.9Å; Q69-A71 PolarHBondContact O-N 2.93Å; A71-H74 PolarHBondContact O-N 3.28Å; A71-I75 WeakPolarHBondContact O-CD1 3.41Å; A71-I75 VanDerWaalsContact O-CG1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.16Å; A71-I75 PolarHBondContact O-N 3.45Å; A71-Y343 HydrophobicContact CB-CD2 3.64Å; A71-Y343 HydrophobicContact CB-CE2 3.75Å; A71-Y343 HydrophobicContact CB-CG 4.27Å; A71-I346 HydrophobicContact CB-CB 3.72Å; A71-I346 HydrophobicContact CB-CG1 4.2Å; A71-I346 HydrophobicContact CB-CG2 3.77Å
72	I	93.4	Very high	90.2	Very high	24 Å²	24	40 Å²	40	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-42.7	178.6	-65.4	166.3	0	0	0	110.9	V68 Q69 I75 N76 T87 I346	V68-I72 HydrophobicContact CG1-CD1 4.08Å; V68-I72 WeakPolarHBondContact O-CG1 3.45Å; V68-I72 PolarHBondContact O-N 2.99Å; V68-I72 VanDerWaalsContact O-N 3.12Å; Q69-I72 PolarHBondContact O-N 3.46Å; I72-I75 PolarHBondContact O-N 3Å; I72-N76 PolarHBondContact O-N 2.93Å; I72-N76 PolarHBondContact O-ND2 3.17Å; I72-T87 HydrophobicContact CD1-CG2 3.9Å; I72-I346 HydrophobicContact CG1-CG2 4.13Å
73	E	92.6	Very high	90.1	Very high	99 Å²	99	37.5 Å²	37.5	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-58.3	-51.9	173.9	-72.1	170.2	-171.9	0	0	111	Q69 I75 N76 D77	Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.64Å; E73-I75 VanDerWaalsContact C-N 3.26Å; E73-I75 PolarHBondContact O-N 3.31Å; E73-N76 PolarHBondContact O-N 3.27Å; E73-N76 VanDerWaalsContact O-N 3.13Å; E73-D77 WeakPolarHBondContact O-CB 3.37Å; E73-D77 PolarHBondContact O-N 2.62Å
74	H	93.9	Very high	90	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-27.6	179.5	-64.6	174.4	0	0	0	113.7	L70 A71 S78 R315 E323 Y343 W347	L70-H74 WeakPolarHBondContact O-CB 3.36Å; L70-H74 PolarHBondContact O-CD2 3.31Å; L70-H74 PolarHBondContact O-N 3.32Å; L70-H74 PolarHBondContact O-ND1 3.36Å; A71-H74 PolarHBondContact O-N 3.28Å; H74-S78 PolarHBondContact O-N 2.81Å; H74-R315 PolarHBondContact CD2-NH2 3.33Å; H74-R315 PolarHBondContact CE1-NE 3.06Å; H74-R315 PolarHBondContact ND1-NE 3.27Å; H74-R315 PolarHBondContact NE2-NE 3.48Å; H74-R315 PolarHBondContact NE2-NH2 3.04Å; H74-E323 IonicContact CE1-OE2 3.36Å; H74-E323 PolarHBondContact CE1-OE2 2.85Å; H74-E323 IonicContact NE2-OE2 2.81Å; H74-Y343 AromaticContact ND1-CE2 3.94Å; H74-Y343 AromaticContact ND1-CZ 3.85Å; H74-Y343 PolarHBondContact ND1-OH 3.16Å; H74-W347 HydrophobicContact CB-CZ2 3.94Å
75	I	92.9	Very high	89.9	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-46.7	172.5	-73.3	160	0	0	0	110.5	A71 I72 E73 S78 Y81 L85 I346 W347 A350	A71-I75 WeakPolarHBondContact O-CD1 3.41Å; A71-I75 VanDerWaalsContact O-CG1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.16Å; A71-I75 PolarHBondContact O-N 3.45Å; I72-I75 PolarHBondContact O-N 3Å; E73-I75 VanDerWaalsContact C-N 3.26Å; E73-I75 PolarHBondContact O-N 3.31Å; I75-S78 WeakPolarHBondContact O-CB 3.25Å; I75-S78 PolarHBondContact O-N 3.43Å; I75-S78 PolarHBondContact O-OG 2.78Å; I75-Y81 HydrophobicContact CG2-CD2 3.9Å; I75-Y81 HydrophobicContact CG2-CG 4.14Å; I75-L85 HydrophobicContact CD1-CD1 4.32Å; I75-I346 HydrophobicContact CD1-CG2 3.7Å; I75-W347 HydrophobicContact CD1-CD2 4.24Å; I75-W347 HydrophobicContact CD1-CE3 4.46Å; I75-W347 HydrophobicContact CG1-CD2 3.95Å; I75-W347 HydrophobicContact CG1-CE3 3.92Å; I75-W347 HydrophobicContact CG1-CH2 3.72Å; I75-W347 HydrophobicContact CG1-CZ2 3.73Å; I75-W347 HydrophobicContact CG1-CZ3 3.82Å; I75-A350 HydrophobicContact CD1-CB 3.73Å; I75-A350 HydrophobicContact CG1-CB 4.36Å; I75-A350 HydrophobicContact CG2-CB 4.5Å
76	N	90.5	Very high	89.9	Confident	71 Å²	71	41.2 Å²	41.2	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-45.1	177.7	-69.2	-36.4	0	0	0	111.2	I72 E73 S78 G79 S84	I72-N76 PolarHBondContact O-N 2.93Å; I72-N76 PolarHBondContact O-ND2 3.17Å; E73-N76 PolarHBondContact O-N 3.27Å; E73-N76 VanDerWaalsContact O-N 3.13Å; N76-S78 PolarHBondContact O-N 3.47Å; N76-G79 PolarHBondContact O-N 3.41Å; N76-S84 PolarHBondContact OD1-OG 2.87Å
77	D	89.3	Confident	89.8	Confident	125 Å²	125	42.8 Å²	42.8	67%	0.668	25%	0.245	S	C	*	.	H	α-helix	trans	-62.2	-27.1	178.1	-75.9	-8.1	0	0	0	113.4	E73 G79	E73-D77 WeakPolarHBondContact O-CB 3.37Å; E73-D77 PolarHBondContact O-N 2.62Å; D77-G79 VanDerWaalsContact C-N 3.25Å; D77-G79 PolarHBondContact O-N 3.37Å
78	S	87.9	Confident	89.6	Confident	55 Å²	55	47 Å²	47	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-27.8	-179	75.5	0	0	0	0	113.3	H74 I75 N76 E80	H74-S78 PolarHBondContact O-N 2.81Å; I75-S78 WeakPolarHBondContact O-CB 3.25Å; I75-S78 PolarHBondContact O-N 3.43Å; I75-S78 PolarHBondContact O-OG 2.78Å; N76-S78 PolarHBondContact O-N 3.47Å; S78-E80 PolarHBondContact O-N 3.02Å; S78-E80 PolarHBondContact OG-N 3.3Å
79	G	82.5	Confident	89.5	Confident	68 Å²	68	49.9 Å²	49.9	70%	0.701	28%	0.277	S	S	*	.			trans	62.7	1.5	-171.7	0	0	0	0	0	115.4	N76 D77	N76-G79 PolarHBondContact O-N 3.41Å; D77-G79 VanDerWaalsContact C-N 3.25Å; D77-G79 PolarHBondContact O-N 3.37Å
80	E	84.9	Confident	89.5	Confident	120 Å²	120	48.9 Å²	48.9	56%	0.561	27%	0.271	S	S	*	.			trans	-74.7	-29.7	-176.5	-173.8	180	-154.9	0	0	111.9	S78	S78-E80 PolarHBondContact O-N 3.02Å; S78-E80 PolarHBondContact OG-N 3.3Å
81	Y	85.9	Confident	89.3	Confident	24 Å²	24	51.2 Å²	51.2	9%	0.094	28%	0.283	C	S	.	.	S	Bend	trans	-101.9	124.2	-172.4	-62.2	-89.7	0	0	0	111.5	I75 F83 W347 A350 N354	I75-Y81 HydrophobicContact CG2-CD2 3.9Å; I75-Y81 HydrophobicContact CG2-CG 4.14Å; Y81-F83 AromaticContact CD1-CE1 3.97Å; Y81-F83 HydrophobicContact CD1-CE1 3.97Å; Y81-F83 AromaticContact CD1-CZ 3.69Å; Y81-F83 HydrophobicContact CD1-CZ 3.69Å; Y81-F83 HydrophobicContact CG-CZ 4.32Å; Y81-F83 PolarHBondContact O-N 2.91Å; Y81-W347 AromaticContact CE2-CZ3 3.96Å; Y81-W347 HydrophobicContact CE2-CZ3 3.96Å; Y81-A350 HydrophobicContact CD1-CB 4.37Å; Y81-A350 HydrophobicContact CE1-CB 4.18Å; Y81-N354 HydrophobicContact CD1-CB 3.83Å; Y81-N354 HydrophobicContact CE1-CB 3.84Å
82	P	83.4	Confident	89.1	Confident	39 Å²	39	51.6 Å²	51.6	25%	0.253	29%	0.286	S	S	.	.	S	Bend	trans	-82.6	33	-176.7	34.8	-37.3	0	0	0	113.4	E40	E40-P82 PolarHBondContact N-O 3.3Å
83	F	84.6	Confident	88.8	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-159.1	155.8	-177.3	57	-91.3	0	0	0	110.9	L43 Y81 L85 L353 N354	L43-F83 HydrophobicContact CD1-CB 4.28Å; L43-F83 HydrophobicContact CD1-CD1 4.44Å; L43-F83 HydrophobicContact CD1-CD2 3.56Å; L43-F83 HydrophobicContact CD1-CE2 3.93Å; L43-F83 HydrophobicContact CD1-CG 3.85Å; L43-F83 HydrophobicContact CD1-CZ 4.49Å; L43-F83 HydrophobicContact CG-CB 4.26Å; L43-F83 HydrophobicContact CG-CD2 4.14Å; L43-F83 HydrophobicContact CG-CG 4.34Å; Y81-F83 AromaticContact CD1-CE1 3.97Å; Y81-F83 HydrophobicContact CD1-CE1 3.97Å; Y81-F83 AromaticContact CD1-CZ 3.69Å; Y81-F83 HydrophobicContact CD1-CZ 3.69Å; Y81-F83 HydrophobicContact CG-CZ 4.32Å; Y81-F83 PolarHBondContact O-N 2.91Å; F83-L85 HydrophobicContact CD2-CD2 3.84Å; F83-L85 HydrophobicContact CD2-CG 4.29Å; F83-L85 HydrophobicContact CE2-CD2 3.61Å; F83-L85 HydrophobicContact CE2-CG 4.04Å; F83-L353 HydrophobicContact CZ-CB 4.35Å; F83-N354 HydrophobicContact CE1-CB 3.95Å; F83-N354 HydrophobicContact CZ-CB 4.22Å
84	S	86.4	Confident	88.6	Confident	56 Å²	56	49.6 Å²	49.6	39%	0.392	28%	0.278	S	S	.	.			trans	-105.9	142.1	168.8	-62.8	0	0	0	0	110.7	A42 L43 N76	A42-S84 WeakPolarHBondContact CA-O 3.38Å; L43-S84 PolarHBondContact N-O 2.9Å; N76-S84 PolarHBondContact OD1-OG 2.87Å
85	L	88.7	Confident	88.5	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133	175.6	-65.2	-178	0	0	0	110.7	L43 I45 I75 F83 I346 A350 L353	L43-L85 HydrophobicContact CB-CD2 3.99Å; L43-L85 HydrophobicContact CD1-CD2 4.23Å; I45-L85 HydrophobicContact CD1-CB 4.22Å; I45-L85 HydrophobicContact CD1-CD1 3.94Å; I45-L85 HydrophobicContact CD1-CD2 3.88Å; I45-L85 HydrophobicContact CD1-CG 4.23Å; I75-L85 HydrophobicContact CD1-CD1 4.32Å; F83-L85 HydrophobicContact CD2-CD2 3.84Å; F83-L85 HydrophobicContact CD2-CG 4.29Å; F83-L85 HydrophobicContact CE2-CD2 3.61Å; F83-L85 HydrophobicContact CE2-CG 4.04Å; L85-I346 HydrophobicContact CD1-CG2 4.24Å; L85-A350 HydrophobicContact CD1-CB 4.04Å; L85-L353 HydrophobicContact CD2-CD1 4.18Å
86	I	88.6	Confident	88.3	Confident	66 Å²	66	55.7 Å²	55.7	34%	0.338	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.7	172.6	-62	-177.1	0	0	0	108.8	A42 L43 N44 I45 K88	A42-I86 HydrophobicContact CB-CD1 3.58Å; A42-I86 HydrophobicContact CB-CG1 4.1Å; L43-I86 PolarHBondContact O-N 3.44Å; N44-I86 WeakPolarHBondContact CA-O 3.25Å; I45-I86 PolarHBondContact N-O 3.02Å; I86-K88 HydrophobicContact CG2-CD 4.36Å
87	T	90.2	Very high	88.3	Confident	36 Å²	36	55.7 Å²	55.7	22%	0.221	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.3	173.2	47.2	0	0	0	0	111	V47 V68 I72	V47-T87 HydrophobicContact CG2-CG2 3.75Å; V68-T87 HydrophobicContact CG1-CG2 4.12Å; I72-T87 HydrophobicContact CD1-CG2 3.9Å
88	K	90.6	Very high	88.4	Confident	89 Å²	89	54.3 Å²	54.3	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109	170.9	-65.5	-59.9	-174.4	-177.1	0	109.4	I45 V47 I86 Y90 P111	I45-K88 PolarHBondContact O-N 3.16Å; V47-K88 PolarHBondContact N-O 3.15Å; I86-K88 HydrophobicContact CG2-CD 4.36Å; K88-Y90 HydrophobicContact CB-CE2 3.72Å; K88-Y90 WeakPolarHBondContact O-CD2 3.23Å; K88-Y90 WeakPolarHBondContact O-CE2 3.48Å; K88-P111 HydrophobicContact CG-CG 4.43Å
89	I	90.8	Very high	88.5	Confident	70 Å²	70	51.7 Å²	51.7	36%	0.359	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.2	-178.7	-54.3	175.4	0	0	0	109.5	V47 M49 M51	V47-I89 HydrophobicContact CB-CG1 4.13Å; V47-I89 HydrophobicContact CG1-CG1 4.13Å; V47-I89 WeakPolarHBondContact O-CA 3.4Å; M49-I89 HydrophobicContact CG-CG2 3.93Å; M49-I89 HydrophobicContact SD-CG2 4.33Å; M51-I89 HydrophobicContact CG-CG2 3.81Å; M51-I89 HydrophobicContact SD-CG2 4.04Å
90	Y	91.8	Very high	88.9	Confident	51 Å²	51	49.9 Å²	49.9	20%	0.2	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.8	172.1	-59.4	-94.2	0	0	0	109.1	M46 V47 L48 M49 K88 A106	M46-Y90 HydrophobicContact CG-CD2 4.02Å; M46-Y90 HydrophobicContact CG-CE2 4.08Å; V47-Y90 PolarHBondContact O-N 2.9Å; L48-Y90 HydrophobicContact CD2-CD2 4.45Å; M49-Y90 PolarHBondContact N-O 3.31Å; K88-Y90 HydrophobicContact CB-CE2 3.72Å; K88-Y90 WeakPolarHBondContact O-CD2 3.23Å; K88-Y90 WeakPolarHBondContact O-CE2 3.48Å; Y90-A106 HydrophobicContact CD1-CB 3.81Å; Y90-A106 HydrophobicContact CD2-CB 3.83Å; Y90-A106 HydrophobicContact CE1-CB 3.52Å; Y90-A106 HydrophobicContact CE2-CB 3.54Å; Y90-A106 HydrophobicContact CG-CB 3.96Å
91	D	91.5	Very high	89.2	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.3	-179.7	-162.3	-8.4	0	0	0	110.9	M49 P50 M51 N52 E93 A102	M49-D91 WeakPolarHBondContact O-CA 3.36Å; P50-D91 VanDerWaalsContact CA-OD1 3.31Å; P50-D91 WeakPolarHBondContact CA-OD1 3.39Å; M51-D91 HydrophobicContact CB-CB 4.25Å; M51-D91 VanDerWaalsContact N-CG 3.32Å; M51-D91 PolarHBondContact N-OD1 3.34Å; M51-D91 PolarHBondContact N-OD2 3.3Å; N52-D91 WeakPolarHBondContact CB-OD2 3.47Å; N52-D91 PolarHBondContact N-OD2 3.27Å; D91-E93 PolarHBondContact OD1-N 3.07Å; D91-A102 WeakPolarHBondContact O-CB 3.28Å
92	T	90.2	Very high	89.4	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.049	27%	0.27	C	S	.	.			trans	-105.1	-18.2	175.9	57.2	0	0	0	0	112.8	L48 M49 C94 D95	L48-T92 HydrophobicContact CB-CG2 4.03Å; M49-T92 VanDerWaalsContact C-OG1 3.32Å; M49-T92 PolarHBondContact O-N 3.41Å; M49-T92 PolarHBondContact O-OG1 3.06Å; T92-C94 PolarHBondContact O-N 3.13Å; T92-D95 PolarHBondContact O-N 3.08Å; T92-D95 VanDerWaalsContact O-N 3.11Å
93	E	88.3	Confident	89.8	Confident	60 Å²	60	50.1 Å²	50.1	28%	0.28	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	17.8	-172	-58.5	-170.3	-116.1	0	0	114.8	N52 A55 D91 D95 K98	N52-E93 HydrophobicContact CB-CG 3.96Å; N52-E93 PolarHBondContact ND2-OE2 3.31Å; A55-E93 HydrophobicContact CB-CB 4.33Å; D91-E93 PolarHBondContact OD1-N 3.07Å; E93-D95 PolarHBondContact O-N 3.26Å; E93-D95 VanDerWaalsContact O-N 3.1Å; E93-K98 HydrophobicContact CB-CD 3.85Å; E93-K98 HydrophobicContact CG-CD 4.1Å; E93-K98 VanDerWaalsContact OE1-CD 3.27Å; E93-K98 WeakPolarHBondContact OE1-CD 3.14Å; E93-K98 WeakPolarHBondContact OE1-CE 3.16Å; E93-K98 IonicContact OE1-NZ 2.8Å; E93-K98 PolarHBondContact OE1-NZ 2.92Å; E93-K98 IonicContact OE2-NZ 2.7Å; E93-K98 PolarHBondContact OE2-NZ 3.37Å
94	C	88.1	Confident	90	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.142	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	16.7	-169.7	-72	0	0	0	0	116.3	P50 L56 T92 C121	P50-C94 VanDerWaalsContact CG-SG 3.58Å; L56-C94 PolarHBondContact O-SG 2.94Å; L56-C94 VanDerWaalsContact O-SG 3.32Å; T92-C94 PolarHBondContact O-N 3.13Å; C94-C121 HydrophobicContact CB-CB 3.69Å; C94-C121 WeakPolarHBondContact CB-SG 3.22Å; C94-C121 WeakPolarHBondContact SG-CB 3.44Å; C94-C121 CovalentContact SG-SG 2.02Å; C94-C121 PolarHBondContact SG-SG 3.04Å
95	D	90.3	Very high	90.1	Very high	72 Å²	72	52.5 Å²	52.5	39%	0.385	26%	0.264	S	S	.	.			trans	-97.9	142.3	175	173.6	-101.7	0	0	0	111.4	T92 E93 A97 K98 G99 V124	T92-D95 PolarHBondContact O-N 3.08Å; T92-D95 VanDerWaalsContact O-N 3.11Å; E93-D95 PolarHBondContact O-N 3.26Å; E93-D95 VanDerWaalsContact O-N 3.1Å; D95-A97 WeakPolarHBondContact OD1-CA 3.34Å; D95-A97 WeakPolarHBondContact OD1-CB 3.24Å; D95-A97 PolarHBondContact OD1-N 3.15Å; D95-K98 HydrophobicContact CB-CB 4.09Å; D95-K98 HydrophobicContact CB-CD 4.16Å; D95-K98 HydrophobicContact CB-CG 4.14Å; D95-K98 PolarHBondContact OD1-N 3.41Å; D95-G99 PolarHBondContact O-N 3.12Å; D95-V124 WeakPolarHBondContact O-CG2 3.47Å
96	N	89.8	Confident	90.1	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-39.4	-176.5	-68.2	-14.8	0	0	0	112.3	L100 S123 I127	N96-L100 WeakPolarHBondContact O-CB 3.35Å; N96-L100 WeakPolarHBondContact O-CD1 3.44Å; N96-L100 PolarHBondContact O-N 3.38Å; N96-L100 VanDerWaalsContact O-N 3.17Å; N96-S123 WeakPolarHBondContact OD1-CB 3.22Å; N96-I127 HydrophobicContact CB-CD1 3.99Å
97	A	90	Very high	89.9	Confident	72 Å²	72	50.1 Å²	50.1	60%	0.595	25%	0.252	S	S	*	.	H	α-helix	trans	-76.6	-43	-178.2	0	0	0	0	0	111.3	D95 R101	D95-A97 WeakPolarHBondContact OD1-CA 3.34Å; D95-A97 WeakPolarHBondContact OD1-CB 3.24Å; D95-A97 PolarHBondContact OD1-N 3.15Å; A97-R101 WeakPolarHBondContact O-CB 3.43Å; A97-R101 PolarHBondContact O-N 3.13Å
98	K	90.8	Very high	89.5	Confident	96 Å²	96	49.1 Å²	49.1	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-45.6	175.4	-64.2	-176	173.7	-162.2	0	111.8	E93 D95 R101 A102	E93-K98 HydrophobicContact CB-CD 3.85Å; E93-K98 HydrophobicContact CG-CD 4.1Å; E93-K98 VanDerWaalsContact OE1-CD 3.27Å; E93-K98 WeakPolarHBondContact OE1-CD 3.14Å; E93-K98 WeakPolarHBondContact OE1-CE 3.16Å; E93-K98 IonicContact OE1-NZ 2.8Å; E93-K98 PolarHBondContact OE1-NZ 2.92Å; E93-K98 IonicContact OE2-NZ 2.7Å; E93-K98 PolarHBondContact OE2-NZ 3.37Å; D95-K98 HydrophobicContact CB-CB 4.09Å; D95-K98 HydrophobicContact CB-CD 4.16Å; D95-K98 HydrophobicContact CB-CG 4.14Å; D95-K98 PolarHBondContact OD1-N 3.41Å; K98-R101 PolarHBondContact O-N 2.68Å; K98-A102 WeakPolarHBondContact O-CB 3.5Å; K98-A102 PolarHBondContact O-N 2.84Å
99	G	90.5	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-43	177.5	0	0	0	0	0	113.5	D95 A102 F103	D95-G99 PolarHBondContact O-N 3.12Å; G99-A102 PolarHBondContact O-N 3.27Å; G99-F103 WeakPolarHBondContact O-CB 3.16Å; G99-F103 PolarHBondContact O-N 3.06Å
100	L	90.8	Very high	88.5	Confident	30 Å²	30	50.1 Å²	50.1	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-41.3	174.2	-97.6	65.9	0	0	0	111.9	N96 F103 F104 I127 I128	N96-L100 WeakPolarHBondContact O-CB 3.35Å; N96-L100 WeakPolarHBondContact O-CD1 3.44Å; N96-L100 PolarHBondContact O-N 3.38Å; N96-L100 VanDerWaalsContact O-N 3.17Å; L100-F103 PolarHBondContact O-N 2.92Å; L100-F104 HydrophobicContact CB-CE2 4.4Å; L100-F104 HydrophobicContact CG-CE2 4.5Å; L100-F104 WeakPolarHBondContact O-CD2 3.25Å; L100-F104 PolarHBondContact O-N 2.72Å; L100-I127 HydrophobicContact CD1-CB 4.05Å; L100-I127 HydrophobicContact CD1-CG2 3.65Å; L100-I127 HydrophobicContact CD2-CG2 4.02Å; L100-I127 HydrophobicContact CG-CG2 4.37Å; L100-I128 HydrophobicContact CD1-CG1 4.34Å
101	R	91.5	Very high	88	Confident	173 Å²	173	49.7 Å²	49.7	65%	0.653	25%	0.253	S	S	*	.	H	α-helix	trans	-59.6	-49.6	175.2	176.5	177.8	175	174.8	1	111.4	A97 K98 F103 F104 D105	A97-R101 WeakPolarHBondContact O-CB 3.43Å; A97-R101 PolarHBondContact O-N 3.13Å; K98-R101 PolarHBondContact O-N 2.68Å; R101-F103 VanDerWaalsContact C-N 3.27Å; R101-F103 PolarHBondContact O-N 3.26Å; R101-F104 PolarHBondContact O-N 2.91Å; R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 2.7Å; R101-D105 PolarHBondContact NE-OD2 2.89Å; R101-D105 WeakPolarHBondContact O-CB 3.08Å; R101-D105 PolarHBondContact O-N 3.33Å
102	A	91.4	Very high	87.5	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-40.2	178.6	0	0	0	0	0	112	D91 K98 G99 A106	D91-A102 WeakPolarHBondContact O-CB 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.5Å; K98-A102 PolarHBondContact O-N 2.84Å; G99-A102 PolarHBondContact O-N 3.27Å; A102-A106 WeakPolarHBondContact O-CB 3.07Å; A102-A106 PolarHBondContact O-N 2.83Å
103	F	91.2	Very high	87.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-47.9	173.9	174.8	-112.3	0	0	0	112.9	M46 L48 G99 L100 R101 A106 I107 I116 I128 L132	M46-F103 HydrophobicContact SD-CD2 3.91Å; M46-F103 HydrophobicContact SD-CE2 4.31Å; L48-F103 HydrophobicContact CD1-CD2 4.21Å; G99-F103 WeakPolarHBondContact O-CB 3.16Å; G99-F103 PolarHBondContact O-N 3.06Å; L100-F103 PolarHBondContact O-N 2.92Å; R101-F103 VanDerWaalsContact C-N 3.27Å; R101-F103 PolarHBondContact O-N 3.26Å; F103-A106 PolarHBondContact O-N 3.33Å; F103-I107 HydrophobicContact CD2-CD1 4.23Å; F103-I107 HydrophobicContact CE1-CD1 3.91Å; F103-I107 HydrophobicContact CE2-CD1 3.54Å; F103-I107 HydrophobicContact CE2-CG1 4.27Å; F103-I107 HydrophobicContact CZ-CD1 3.37Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 PolarHBondContact O-N 2.98Å; F103-I116 HydrophobicContact CE2-CD1 3.71Å; F103-I128 HydrophobicContact CB-CD1 4.12Å; F103-I128 HydrophobicContact CD2-CG2 4.26Å; F103-I128 HydrophobicContact CE2-CG2 4.16Å; F103-I128 HydrophobicContact CG-CD1 4.36Å; F103-I128 HydrophobicContact CZ-CG2 4.43Å; F103-L132 HydrophobicContact CZ-CD2 4.42Å
104	F	89	Confident	86.8	Confident	55 Å²	55	47.1 Å²	47.1	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-41.5	176.9	-72.7	-59.7	0	0	0	112.6	L13 L100 R101 A106 I107 C108 W135	L13-F104 HydrophobicContact CD2-CE2 4.35Å; L13-F104 HydrophobicContact CD2-CZ 3.95Å; L100-F104 HydrophobicContact CB-CE2 4.4Å; L100-F104 HydrophobicContact CG-CE2 4.5Å; L100-F104 WeakPolarHBondContact O-CD2 3.25Å; L100-F104 PolarHBondContact O-N 2.72Å; R101-F104 PolarHBondContact O-N 2.91Å; F104-A106 VanDerWaalsContact C-N 3.28Å; F104-A106 PolarHBondContact O-N 3.48Å; F104-I107 PolarHBondContact O-N 2.93Å; F104-C108 VanDerWaalsContact O-CB 3.27Å; F104-C108 WeakPolarHBondContact O-CB 3.32Å; F104-C108 PolarHBondContact O-N 2.86Å; F104-C108 PolarHBondContact O-SG 3.21Å; F104-C108 VanDerWaalsContact O-SG 3.34Å; F104-W135 HydrophobicContact CD1-CZ2 4.48Å; F104-W135 HydrophobicContact CE1-CZ2 4.18Å
105	D	88.9	Confident	86.9	Confident	58 Å²	58	46.1 Å²	46.1	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-37.3	176.3	-73.2	-22.3	0	0	0	110.5	R101 Y109	R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 2.7Å; R101-D105 PolarHBondContact NE-OD2 2.89Å; R101-D105 WeakPolarHBondContact O-CB 3.08Å; R101-D105 PolarHBondContact O-N 3.33Å; D105-Y109 HydrophobicContact CB-CD2 4.26Å; D105-Y109 WeakPolarHBondContact O-CB 3.27Å; D105-Y109 PolarHBondContact O-N 2.87Å; D105-Y109 WeakPolarHBondContact OD1-CE2 3.47Å
106	A	88	Confident	87.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-36.8	174.9	0	0	0	0	0	114.1	M46 Y90 A102 F103 F104 G110 H113	M46-A106 HydrophobicContact CE-CB 3.71Å; M46-A106 HydrophobicContact CG-CB 4.35Å; M46-A106 HydrophobicContact SD-CB 3.94Å; Y90-A106 HydrophobicContact CD1-CB 3.81Å; Y90-A106 HydrophobicContact CD2-CB 3.83Å; Y90-A106 HydrophobicContact CE1-CB 3.52Å; Y90-A106 HydrophobicContact CE2-CB 3.54Å; Y90-A106 HydrophobicContact CG-CB 3.96Å; A102-A106 WeakPolarHBondContact O-CB 3.07Å; A102-A106 PolarHBondContact O-N 2.83Å; F103-A106 PolarHBondContact O-N 3.33Å; F104-A106 VanDerWaalsContact C-N 3.28Å; F104-A106 PolarHBondContact O-N 3.48Å; A106-G110 VanDerWaalsContact O-CA 3.27Å; A106-G110 WeakPolarHBondContact O-CA 3.27Å; A106-G110 PolarHBondContact O-N 3Å; A106-H113 PolarHBondContact O-CE1 3.43Å
107	I	84.4	Confident	87.3	Confident	24 Å²	24	39.3 Å²	39.3	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-76.7	-42	176.6	-71.5	-173.3	0	0	0	111.9	M46 F103 F104 W135 L137	M46-I107 HydrophobicContact CE-CG1 3.79Å; F103-I107 HydrophobicContact CD2-CD1 4.23Å; F103-I107 HydrophobicContact CE1-CD1 3.91Å; F103-I107 HydrophobicContact CE2-CD1 3.54Å; F103-I107 HydrophobicContact CE2-CG1 4.27Å; F103-I107 HydrophobicContact CZ-CD1 3.37Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 PolarHBondContact O-N 2.98Å; F104-I107 PolarHBondContact O-N 2.93Å; I107-W135 HydrophobicContact CD1-CD2 3.89Å; I107-W135 HydrophobicContact CD1-CE3 4.12Å; I107-W135 HydrophobicContact CD1-CG 4.22Å; I107-W135 HydrophobicContact CD1-CZ2 4.46Å; I107-W135 HydrophobicContact CD1-CZ3 4.49Å; I107-W135 HydrophobicContact CG2-CE3 3.95Å; I107-W135 HydrophobicContact CG2-CH2 3.69Å; I107-W135 HydrophobicContact CG2-CZ2 4.41Å; I107-W135 HydrophobicContact CG2-CZ3 3.44Å; I107-W135 VanDerWaalsContact CG2-CZ3 3.44Å; I107-L137 HydrophobicContact CD1-CD1 4.15Å
108	C	81.5	Confident	87.4	Confident	15 Å²	15	35.9 Å²	35.9	10%	0.101	17%	0.167	C	C	.	.	H	α-helix	trans	-90.6	-19.9	-169	-61.1	0	0	0	0	114.1	C23 T27 F104	C23-C108 HydrophobicContact CB-CB 3.78Å; C23-C108 WeakPolarHBondContact CB-SG 3.36Å; C23-C108 WeakPolarHBondContact SG-CB 3.33Å; C23-C108 CovalentContact SG-SG 2.04Å; C23-C108 PolarHBondContact SG-SG 3.32Å; T27-C108 WeakPolarHBondContact CG2-O 3.41Å; F104-C108 VanDerWaalsContact O-CB 3.27Å; F104-C108 WeakPolarHBondContact O-CB 3.32Å; F104-C108 PolarHBondContact O-N 2.86Å; F104-C108 PolarHBondContact O-SG 3.21Å; F104-C108 VanDerWaalsContact O-SG 3.34Å
109	Y	82.3	Confident	87.1	Confident	163 Å²	163	31.7 Å²	31.7	64%	0.639	15%	0.151	S	C	*	.	H	α-helix	trans	-128.8	-7.8	178.9	-49.5	-66.4	0	0	0	114.1	D105	D105-Y109 HydrophobicContact CB-CD2 4.26Å; D105-Y109 WeakPolarHBondContact O-CB 3.27Å; D105-Y109 PolarHBondContact O-N 2.87Å; D105-Y109 WeakPolarHBondContact OD1-CE2 3.47Å
110	G	78.1	Confident	86.9	Confident	16 Å²	16	31.9 Å²	31.9	17%	0.165	15%	0.152	C	C	.	.	S	Bend	trans	-83.4	179.3	176	0	0	0	0	0	113.8	A106	A106-G110 VanDerWaalsContact O-CA 3.27Å; A106-G110 WeakPolarHBondContact O-CA 3.27Å; A106-G110 PolarHBondContact O-N 3Å
111	P	82.1	Confident	86.8	Confident	42 Å²	42	30.9 Å²	30.9	27%	0.273	15%	0.147	S	C	.	.			trans	-70	169.3	169.3	32.4	-36.4	0	0	0	111.5	N44 K88 H113	N44-P111 HydrophobicContact CB-CB 4.32Å; N44-P111 HydrophobicContact CB-CG 3.89Å; K88-P111 HydrophobicContact CG-CG 4.43Å; P111-H113 PolarHBondContact O-CE1 3.38Å; P111-H113 VanDerWaalsContact O-CE1 3.27Å; P111-H113 PolarHBondContact O-N 3.13Å; P111-H113 VanDerWaalsContact O-N 3.12Å; P111-H113 PolarHBondContact O-ND1 3.13Å
112	K	79.9	Confident	86.6	Confident	29 Å²	29	25.3 Å²	25.3	13%	0.126	13%	0.134	C	C	.	.			trans	-66.2	115.9	173.5	-163.3	165.3	-170.2	176	0	109.5	H29 N33 W35 D376	H29-K112 HydrophobicContact CB-CD 4.4Å; H29-K112 PolarHBondContact CE1-N 3.24Å; H29-K112 PolarHBondContact NE2-N 3.01Å; N33-K112 VanDerWaalsContact OD1-CE 3.3Å; N33-K112 WeakPolarHBondContact OD1-CE 2.91Å; N33-K112 PolarHBondContact OD1-NZ 3.25Å; W35-K112 HydrophobicContact CZ2-CB 4.28Å; W35-K112 HydrophobicContact CZ2-CD 4.11Å; W35-K112 HydrophobicContact CZ2-CG 4.25Å; K112-D376 VanDerWaalsContact CE-OD1 3.23Å; K112-D376 WeakPolarHBondContact CE-OD1 3.48Å; K112-D376 VanDerWaalsContact NZ-CG 3.32Å; K112-D376 IonicContact NZ-OD1 3.26Å; K112-D376 PolarHBondContact NZ-OD1 3.03Å; K112-D376 IonicContact NZ-OD2 3.72Å; K112-D376 PolarHBondContact NZ-OD2 3.25Å; K112-D376 VanDerWaalsContact NZ-OD2 3.12Å
113	H	83.7	Confident	86.3	Confident	16 Å²	16	27.1 Å²	27.1	7%	0.074	15%	0.146	C	C	.	.			trans	-97.4	136.9	178.5	-62.2	103.5	0	0	0	110	M46 A106 P111 L137	M46-H113 HydrophobicContact CB-CB 4.07Å; M46-H113 HydrophobicContact CE-CB 4.1Å; M46-H113 WeakPolarHBondContact CE-ND1 3.39Å; M46-H113 PolarHBondContact N-CD2 3Å; A106-H113 PolarHBondContact O-CE1 3.43Å; P111-H113 PolarHBondContact O-CE1 3.38Å; P111-H113 VanDerWaalsContact O-CE1 3.27Å; P111-H113 PolarHBondContact O-N 3.13Å; P111-H113 VanDerWaalsContact O-N 3.12Å; P111-H113 PolarHBondContact O-ND1 3.13Å; H113-L137 WeakPolarHBondContact O-CD2 3.16Å
114	L	81.1	Confident	86.3	Confident	22 Å²	22	27.3 Å²	27.3	12%	0.115	15%	0.147	C	C	.	.	S	Bend	trans	-93.4	-33	-178.8	-66.5	168	0	0	0	113.2	W35 F36 L43 N44 L353	W35-L114 HydrophobicContact CH2-CD1 4.1Å; W35-L114 HydrophobicContact CH2-CD2 4.11Å; W35-L114 HydrophobicContact CH2-CG 4.13Å; W35-L114 HydrophobicContact CZ2-CD2 4.04Å; F36-L114 HydrophobicContact CD2-CD1 3.65Å; F36-L114 HydrophobicContact CD2-CD2 4.37Å; F36-L114 HydrophobicContact CE2-CD1 3.5Å; L43-L114 HydrophobicContact CB-CD1 4.34Å; L43-L114 HydrophobicContact CD1-CD1 4.28Å; L43-L114 HydrophobicContact CD2-CD1 4Å; L43-L114 HydrophobicContact CG-CD1 4.45Å; N44-L114 PolarHBondContact O-N 2.92Å; L114-L353 HydrophobicContact CB-CD2 4.27Å; L114-L353 HydrophobicContact CD1-CD1 4.48Å; L114-L353 HydrophobicContact CD1-CD2 4.14Å
115	M	90.3	Very high	86.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.			trans	-146	156.1	-177.4	-65.3	-176.7	71.8	0	0	109.8	M46 I349 L353 V383 M387	M46-M115 PolarHBondContact N-O 3.49Å; M46-M115 VanDerWaalsContact N-O 3.11Å; M115-I349 HydrophobicContact CE-CG1 4.06Å; M115-I349 HydrophobicContact SD-CB 4.44Å; M115-I349 HydrophobicContact SD-CG1 4.16Å; M115-I349 HydrophobicContact SD-CG2 3.91Å; M115-L353 HydrophobicContact CG-CD2 4.5Å; M115-L353 HydrophobicContact SD-CD2 4.14Å; M115-L353 HydrophobicContact SD-CG 4.29Å; M115-V383 HydrophobicContact CE-CG1 3.97Å; M115-V383 HydrophobicContact CG-CG1 4.22Å; M115-V383 HydrophobicContact SD-CG1 3.95Å; M115-M387 HydrophobicContact CE-CE 3.63Å; M115-M387 HydrophobicContact CE-SD 3.65Å
116	I	93.4	Very high	86.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.5	172.6	-55.2	166.3	0	0	0	108	M46 L48 F103 I128 L132 L137 V138 Q139 L140	M46-I116 HydrophobicContact CB-CG1 4.44Å; M46-I116 CarbonylContact O-C 3.51Å; M46-I116 WeakPolarHBondContact O-CA 3.47Å; M46-I116 HydrophobicContact SD-CG1 4.2Å; L48-I116 HydrophobicContact CD1-CG2 3.84Å; L48-I116 HydrophobicContact CG-CG2 4.07Å; F103-I116 HydrophobicContact CE2-CD1 3.71Å; I116-I128 HydrophobicContact CD1-CG2 4.47Å; I116-L132 HydrophobicContact CD1-CD2 3.43Å; I116-L132 VanDerWaalsContact CD1-CD2 3.43Å; I116-L137 HydrophobicContact CD1-CB 4.2Å; I116-L137 HydrophobicContact CD1-CD1 4.05Å; I116-L137 HydrophobicContact CG1-CD1 4.28Å; I116-V138 PolarHBondContact N-O 3.11Å; I116-Q139 HydrophobicContact CB-CB 4.14Å; I116-Q139 HydrophobicContact CB-CG 4.19Å; I116-Q139 HydrophobicContact CG2-CG 4.08Å; I116-Q139 CarbonylContact O-C 3.48Å; I116-Q139 VanDerWaalsContact O-CA 3.3Å; I116-Q139 WeakPolarHBondContact O-CA 3.39Å; I116-L140 PolarHBondContact O-N 2.83Å
117	F	95.1	Very high	86.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.7	175.8	-177.4	-114.9	0	0	0	110.3	I45 M46 V47 L48 V68 L140 F142 A342 I346 I349	I45-F117 HydrophobicContact CG2-CB 3.81Å; M46-F117 PolarHBondContact O-N 2.96Å; V47-F117 WeakPolarHBondContact CA-O 3.3Å; V47-F117 HydrophobicContact CG1-CD1 4.43Å; V47-F117 HydrophobicContact CG2-CB 4.35Å; V47-F117 HydrophobicContact CG2-CD1 4.28Å; L48-F117 PolarHBondContact N-O 3.28Å; V68-F117 HydrophobicContact CG2-CE1 3.91Å; F117-L140 WeakPolarHBondContact CA-O 3.43Å; F117-L140 HydrophobicContact CD2-CB 4.35Å; F117-L140 HydrophobicContact CD2-CD2 4.38Å; F117-L140 HydrophobicContact CD2-CG 4.47Å; F117-L140 WeakPolarHBondContact CD2-O 3.45Å; F117-L140 HydrophobicContact CE2-CD2 4.45Å; F117-F142 HydrophobicContact CD1-CD1 4.36Å; F117-F142 HydrophobicContact CD1-CE1 4.21Å; F117-F142 HydrophobicContact CD2-CD1 4.37Å; F117-F142 AromaticContact CE1-CD1 3.73Å; F117-F142 HydrophobicContact CE1-CD1 3.73Å; F117-F142 AromaticContact CE1-CE1 3.78Å; F117-F142 HydrophobicContact CE1-CE1 3.78Å; F117-F142 AromaticContact CE2-CD1 3.76Å; F117-F142 HydrophobicContact CE2-CD1 3.76Å; F117-F142 AromaticContact CZ-CD1 3.42Å; F117-F142 HydrophobicContact CZ-CD1 3.42Å; F117-F142 VanDerWaalsContact CZ-CD1 3.42Å; F117-F142 AromaticContact CZ-CE1 3.98Å; F117-F142 HydrophobicContact CZ-CE1 3.98Å; F117-F142 HydrophobicContact CZ-CG 4.37Å; F117-A342 HydrophobicContact CZ-CB 4.17Å; F117-I346 HydrophobicContact CD1-CD1 3.85Å; F117-I346 HydrophobicContact CE1-CD1 3.57Å; F117-I346 HydrophobicContact CE1-CG1 4.2Å; F117-I346 HydrophobicContact CE2-CD1 4.33Å; F117-I346 HydrophobicContact CG-CD1 4.33Å; F117-I346 HydrophobicContact CZ-CD1 3.81Å; F117-I346 HydrophobicContact CZ-CG1 4.11Å; F117-I349 HydrophobicContact CB-CD1 3.97Å; F117-I349 HydrophobicContact CD2-CD1 3.63Å; F117-I349 HydrophobicContact CE2-CD1 4.35Å; F117-I349 HydrophobicContact CG-CD1 3.99Å
118	G	90.6	Very high	87.1	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-150.4	-176.2	0	0	0	0	0	114	Q139 L140 S141 F142	G118-Q139 PolarHBondContact O-NE2 3.39Å; G118-L140 PolarHBondContact N-O 3.07Å; G118-S141 WeakPolarHBondContact O-CA 3.37Å; G118-S141 WeakPolarHBondContact O-CB 3.3Å; G118-F142 VanDerWaalsContact CA-CE1 3.42Å
119	G	84.7	Confident	87.6	Confident	7 Å²	7	24.6 Å²	24.6	7%	0.072	14%	0.136	C	C	.	.			trans	88.8	85.7	-152.8	0	0	0	0	0	110.4	L48 T125 S141	L48-G119 PolarHBondContact O-N 2.89Å; G119-T125 VanDerWaalsContact C-OG1 3.24Å; G119-T125 WeakPolarHBondContact CA-OG1 3.4Å; G119-S141 PolarHBondContact O-OG 2.79Å
120	V	87.9	Confident	88.1	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.03	13%	0.125	C	C	.	.			trans	-86.3	-50	175.5	-178.8	0	0	0	0	110.2	M49 M57 I60 P122 F142 A143	M49-V120 HydrophobicContact CB-CG2 4.32Å; M57-V120 HydrophobicContact CB-CG1 4.13Å; M57-V120 HydrophobicContact SD-CG1 4.06Å; I60-V120 HydrophobicContact CB-CG1 4.4Å; I60-V120 HydrophobicContact CD1-CG1 4.36Å; I60-V120 HydrophobicContact CG2-CG1 4.07Å; V120-P122 WeakPolarHBondContact O-CD 3.3Å; V120-F142 HydrophobicContact CG2-CE2 3.79Å; V120-F142 HydrophobicContact CG2-CZ 3.88Å; V120-A143 HydrophobicContact CB-CB 4.44Å; V120-A143 HydrophobicContact CG1-CB 4.16Å; V120-A143 HydrophobicContact CG2-CB 4.35Å
121	C	88.7	Confident	88.6	Confident	8 Å²	8	22.2 Å²	22.2	5%	0.054	13%	0.132	C	C	.	.	S	Bend	trans	-81.2	122.2	-177.3	-81.1	0	0	0	0	112	C94 S123 T125	C94-C121 HydrophobicContact CB-CB 3.69Å; C94-C121 WeakPolarHBondContact CB-SG 3.22Å; C94-C121 WeakPolarHBondContact SG-CB 3.44Å; C94-C121 CovalentContact SG-SG 2.02Å; C94-C121 PolarHBondContact SG-SG 3.04Å; C121-S123 VanDerWaalsContact C-N 3.32Å; C121-S123 PolarHBondContact O-N 3.06Å; C121-T125 VanDerWaalsContact O-CB 3.3Å; C121-T125 WeakPolarHBondContact O-CB 3.36Å; C121-T125 PolarHBondContact O-N 3.13Å; C121-T125 PolarHBondContact O-OG1 3.44Å
122	P	85.8	Confident	88.9	Confident	57 Å²	57	20.2 Å²	20.2	37%	0.37	12%	0.119	S	C	.	.	H	α-helix	trans	-59.3	-35.1	-173	-29.5	36.8	0	0	0	115.2	V120 S126 T146	V120-P122 WeakPolarHBondContact O-CD 3.3Å; P122-S126 WeakPolarHBondContact O-CB 3.38Å; P122-S126 PolarHBondContact O-N 2.79Å; P122-S126 PolarHBondContact O-OG 3.3Å; P122-T146 HydrophobicContact CB-CG2 3.95Å; P122-T146 HydrophobicContact CG-CG2 4.48Å
123	S	86.4	Confident	89.1	Confident	51 Å²	51	25.5 Å²	25.5	36%	0.357	14%	0.144	S	C	.	.	H	α-helix	trans	-59.9	-63.3	179.9	48.2	0	0	0	0	111.3	N96 C121 T125 S126 I127	N96-S123 WeakPolarHBondContact OD1-CB 3.22Å; C121-S123 VanDerWaalsContact C-N 3.32Å; C121-S123 PolarHBondContact O-N 3.06Å; S123-T125 VanDerWaalsContact C-N 3.31Å; S123-T125 PolarHBondContact O-N 2.87Å; S123-S126 PolarHBondContact O-N 3.35Å; S123-S126 PolarHBondContact O-OG 3.45Å; S123-I127 WeakPolarHBondContact O-CG1 3.38Å; S123-I127 PolarHBondContact O-N 3.09Å
124	V	90.2	Very high	88.9	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-44.4	178.7	-172	0	0	0	0	110.7	D95 S126 I127 I128	D95-V124 WeakPolarHBondContact O-CG2 3.47Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 3.28Å; V124-I127 PolarHBondContact O-N 3.47Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.43Å; V124-I128 WeakPolarHBondContact O-CG1 3.48Å; V124-I128 PolarHBondContact O-N 2.04Å
125	T	92.4	Very high	88.9	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-42.4	179.6	-55.5	0	0	0	0	111.8	G119 C121 S123 A129 A144 L149 F158	G119-T125 VanDerWaalsContact C-OG1 3.24Å; G119-T125 WeakPolarHBondContact CA-OG1 3.4Å; C121-T125 VanDerWaalsContact O-CB 3.3Å; C121-T125 WeakPolarHBondContact O-CB 3.36Å; C121-T125 PolarHBondContact O-N 3.13Å; C121-T125 PolarHBondContact O-OG1 3.44Å; S123-T125 VanDerWaalsContact C-N 3.31Å; S123-T125 PolarHBondContact O-N 2.87Å; T125-A129 WeakPolarHBondContact O-CB 3.43Å; T125-A129 PolarHBondContact O-N 3.34Å; T125-A144 HydrophobicContact CG2-CB 4.17Å; T125-L149 HydrophobicContact CG2-CD1 4.08Å; T125-F158 HydrophobicContact CG2-CE2 3.75Å; T125-F158 HydrophobicContact CG2-CZ 4.33Å
126	S	91.8	Very high	88.6	Confident	31 Å²	31	32 Å²	32	22%	0.217	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-39.4	179	71.1	0	0	0	0	113.2	P122 S123 V124 E130 Y155	P122-S126 WeakPolarHBondContact O-CB 3.38Å; P122-S126 PolarHBondContact O-N 2.79Å; P122-S126 PolarHBondContact O-OG 3.3Å; S123-S126 PolarHBondContact O-N 3.35Å; S123-S126 PolarHBondContact O-OG 3.45Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 3.28Å; S126-E130 WeakPolarHBondContact O-CB 3.44Å; S126-E130 PolarHBondContact O-N 3.41Å; S126-E130 VanDerWaalsContact O-N 3.15Å; S126-Y155 WeakPolarHBondContact O-CE1 3.49Å
127	I	91.8	Very high	88.2	Confident	56 Å²	56	32.9 Å²	32.9	29%	0.287	19%	0.194	S	C	.	.	H	α-helix	trans	-70.4	-42	-179.8	-55.2	164.4	0	0	0	110.3	N96 L100 S123 V124	N96-I127 HydrophobicContact CB-CD1 3.99Å; L100-I127 HydrophobicContact CD1-CB 4.05Å; L100-I127 HydrophobicContact CD1-CG2 3.65Å; L100-I127 HydrophobicContact CD2-CG2 4.02Å; L100-I127 HydrophobicContact CG-CG2 4.37Å; S123-I127 WeakPolarHBondContact O-CG1 3.38Å; S123-I127 PolarHBondContact O-N 3.09Å; V124-I127 PolarHBondContact O-N 3.47Å
128	I	91.6	Very high	88.1	Confident	4 Å²	4	33 Å²	33	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-48.8	177.1	-66.2	179.7	0	0	0	110	L48 L100 F103 I116 V124 E130 S131 L132	L48-I128 HydrophobicContact CD1-CD1 3.6Å; L48-I128 HydrophobicContact CD1-CG2 4.47Å; L100-I128 HydrophobicContact CD1-CG1 4.34Å; F103-I128 HydrophobicContact CB-CD1 4.12Å; F103-I128 HydrophobicContact CD2-CG2 4.26Å; F103-I128 HydrophobicContact CE2-CG2 4.16Å; F103-I128 HydrophobicContact CG-CD1 4.36Å; F103-I128 HydrophobicContact CZ-CG2 4.43Å; I116-I128 HydrophobicContact CD1-CG2 4.47Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.43Å; V124-I128 WeakPolarHBondContact O-CG1 3.48Å; V124-I128 PolarHBondContact O-N 2.04Å; I128-E130 VanDerWaalsContact C-N 3.28Å; I128-E130 PolarHBondContact O-N 3.33Å; I128-S131 PolarHBondContact O-N 2.8Å; I128-S131 PolarHBondContact O-OG 3.07Å; I128-L132 HydrophobicContact CG2-CD2 4.02Å; I128-L132 WeakPolarHBondContact O-CG 3.34Å; I128-L132 PolarHBondContact O-N 3.05Å
129	A	92.6	Very high	88.3	Confident	2 Å²	2	33 Å²	33	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-35.1	-179.7	0	0	0	0	0	113.8	T125 S131 L149 Y155 F158	T125-A129 WeakPolarHBondContact O-CB 3.43Å; T125-A129 PolarHBondContact O-N 3.34Å; A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 3.44Å; A129-L149 HydrophobicContact CB-CD2 4.49Å; A129-Y155 HydrophobicContact CB-CD1 3.66Å; A129-Y155 HydrophobicContact CB-CE1 4.19Å; A129-Y155 HydrophobicContact CB-CG 4.5Å; A129-F158 HydrophobicContact CB-CB 4.33Å; A129-F158 HydrophobicContact CB-CD2 3.98Å; A129-F158 HydrophobicContact CB-CG 4.4Å
130	E	92.1	Very high	88.8	Confident	84 Å²	84	32.7 Å²	32.7	39%	0.393	19%	0.192	S	C	.	.	H	α-helix	trans	-68.3	-25.9	175.9	-168.7	164.6	-169.1	0	0	112.8	S126 I128 K154 Y155	S126-E130 WeakPolarHBondContact O-CB 3.44Å; S126-E130 PolarHBondContact O-N 3.41Å; S126-E130 VanDerWaalsContact O-N 3.15Å; I128-E130 VanDerWaalsContact C-N 3.28Å; I128-E130 PolarHBondContact O-N 3.33Å; E130-K154 VanDerWaalsContact CD-CE 3.45Å; E130-K154 WeakPolarHBondContact OE1-CE 3.09Å; E130-K154 IonicContact OE1-NZ 3.93Å; E130-K154 PolarHBondContact OE1-NZ 2.91Å; E130-K154 VanDerWaalsContact OE1-NZ 3.13Å; E130-K154 IonicContact OE2-NZ 3.12Å; E130-K154 PolarHBondContact OE2-NZ 3.18Å; E130-Y155 HydrophobicContact CB-CD1 4.45Å; E130-Y155 HydrophobicContact CB-CE1 3.99Å
131	S	88.9	Confident	89.2	Confident	45 Å²	45	32.4 Å²	32.4	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-90.5	-10.6	-176.9	74.2	0	0	0	0	115	I128 A129 E133 G134	I128-S131 PolarHBondContact O-N 2.8Å; I128-S131 PolarHBondContact O-OG 3.07Å; A129-S131 VanDerWaalsContact C-N 3.29Å; A129-S131 PolarHBondContact O-N 3.44Å; S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 3.03Å; S131-G134 PolarHBondContact O-N 2.82Å
132	L	87.9	Confident	89.4	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.5	-27.6	-166.9	-61.9	-177.3	0	0	0	115	F103 I116 I128 G134 W135 N136 L137 Q139 N157	F103-L132 HydrophobicContact CZ-CD2 4.42Å; I116-L132 HydrophobicContact CD1-CD2 3.43Å; I116-L132 VanDerWaalsContact CD1-CD2 3.43Å; I128-L132 HydrophobicContact CG2-CD2 4.02Å; I128-L132 WeakPolarHBondContact O-CG 3.34Å; I128-L132 PolarHBondContact O-N 3.05Å; L132-G134 PolarHBondContact O-N 2.62Å; L132-W135 PolarHBondContact O-N 3.43Å; L132-W135 VanDerWaalsContact O-N 3.09Å; L132-N136 PolarHBondContact O-N 2.98Å; L132-L137 HydrophobicContact CD2-CB 4.45Å; L132-L137 PolarHBondContact O-N 3.24Å; L132-Q139 HydrophobicContact CD1-CB 3.43Å; L132-Q139 VanDerWaalsContact CD1-CB 3.43Å; L132-N157 HydrophobicContact CB-CB 4.05Å; L132-N157 HydrophobicContact CD1-CB 4.32Å
133	E	84.1	Confident	89.8	Confident	139 Å²	139	29.8 Å²	29.8	65%	0.65	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-60.7	-37	178.4	-172.1	176	-175.8	0	0	111.4	S131 W135 N136	S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 3.03Å; E133-W135 PolarHBondContact O-N 3.2Å; E133-N136 PolarHBondContact O-N 3.26Å
134	G	80	Confident	90	Very high	62 Å²	62	27.3 Å²	27.3	64%	0.639	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-68.4	-17.4	177	0	0	0	0	0	114.7	S131 L132	S131-G134 PolarHBondContact O-N 2.82Å; L132-G134 PolarHBondContact O-N 2.62Å
135	W	81.4	Confident	90.1	Very high	57 Å²	57	27.7 Å²	27.7	22%	0.216	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-110.6	-3	-179.3	-63.9	101.1	0	0	0	113.5	A20 F104 I107 L132 E133 L137	A20-W135 VanDerWaalsContact CA-CH2 3.46Å; A20-W135 HydrophobicContact CB-CE3 4.12Å; A20-W135 HydrophobicContact CB-CH2 3.76Å; A20-W135 HydrophobicContact CB-CZ2 4.36Å; A20-W135 HydrophobicContact CB-CZ3 3.6Å; F104-W135 HydrophobicContact CD1-CZ2 4.48Å; F104-W135 HydrophobicContact CE1-CZ2 4.18Å; I107-W135 HydrophobicContact CD1-CD2 3.89Å; I107-W135 HydrophobicContact CD1-CE3 4.12Å; I107-W135 HydrophobicContact CD1-CG 4.22Å; I107-W135 HydrophobicContact CD1-CZ2 4.46Å; I107-W135 HydrophobicContact CD1-CZ3 4.49Å; I107-W135 HydrophobicContact CG2-CE3 3.95Å; I107-W135 HydrophobicContact CG2-CH2 3.69Å; I107-W135 HydrophobicContact CG2-CZ2 4.41Å; I107-W135 HydrophobicContact CG2-CZ3 3.44Å; I107-W135 VanDerWaalsContact CG2-CZ3 3.44Å; L132-W135 PolarHBondContact O-N 3.43Å; L132-W135 VanDerWaalsContact O-N 3.09Å; E133-W135 PolarHBondContact O-N 3.2Å; W135-L137 HydrophobicContact CB-CB 4.5Å; W135-L137 HydrophobicContact CB-CD1 4.17Å; W135-L137 HydrophobicContact CB-CG 4.17Å; W135-L137 PolarHBondContact O-N 3.03Å; W135-L137 VanDerWaalsContact O-N 3.08Å
136	N	83.1	Confident	90	Very high	55 Å²	55	28.5 Å²	28.5	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	18.2	-172.1	-55.2	-65.7	0	0	0	114.9	L132 E133 G380	L132-N136 PolarHBondContact O-N 2.98Å; E133-N136 PolarHBondContact O-N 3.26Å; N136-G380 WeakPolarHBondContact O-CA 3.38Å
137	L	86.4	Confident	90	Very high	20 Å²	20	27.5 Å²	27.5	11%	0.105	16%	0.156	C	C	.	.			trans	-85.4	154.2	177.9	-70.1	174.5	0	0	0	110.8	I107 H113 I116 L132 W135 N157	I107-L137 HydrophobicContact CD1-CD1 4.15Å; H113-L137 WeakPolarHBondContact O-CD2 3.16Å; I116-L137 HydrophobicContact CD1-CB 4.2Å; I116-L137 HydrophobicContact CD1-CD1 4.05Å; I116-L137 HydrophobicContact CG1-CD1 4.28Å; L132-L137 HydrophobicContact CD2-CB 4.45Å; L132-L137 PolarHBondContact O-N 3.24Å; W135-L137 HydrophobicContact CB-CB 4.5Å; W135-L137 HydrophobicContact CB-CD1 4.17Å; W135-L137 HydrophobicContact CB-CG 4.17Å; W135-L137 PolarHBondContact O-N 3.03Å; W135-L137 VanDerWaalsContact O-N 3.08Å; L137-N157 WeakPolarHBondContact O-CB 3.15Å; L137-N157 PolarHBondContact O-ND2 3.05Å
138	V	92	Very high	89.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.157	C	C	.	.			trans	-120.6	133.2	175.3	-157.8	0	0	0	0	109.2	I116 N157 F159 V383 M387	I116-V138 PolarHBondContact N-O 3.11Å; V138-N157 HydrophobicContact CG1-CB 4.3Å; V138-N157 WeakPolarHBondContact CG1-O 3.46Å; V138-F159 HydrophobicContact CG1-CD2 3.88Å; V138-F159 HydrophobicContact CG1-CE2 4.03Å; V138-V383 HydrophobicContact CB-CG1 4.07Å; V138-V383 HydrophobicContact CG2-CB 4.18Å; V138-V383 HydrophobicContact CG2-CG1 3.74Å; V138-M387 HydrophobicContact CB-CE 4.02Å; V138-M387 HydrophobicContact CG1-CE 3.24Å
139	Q	94.6	Very high	89.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.2	-177.2	179.4	175.5	9.7	0	0	111.4	I116 G118 L132 N157 F158 F159	I116-Q139 HydrophobicContact CB-CB 4.14Å; I116-Q139 HydrophobicContact CB-CG 4.19Å; I116-Q139 HydrophobicContact CG2-CG 4.08Å; I116-Q139 CarbonylContact O-C 3.48Å; I116-Q139 VanDerWaalsContact O-CA 3.3Å; I116-Q139 WeakPolarHBondContact O-CA 3.39Å; G118-Q139 PolarHBondContact O-NE2 3.39Å; L132-Q139 HydrophobicContact CD1-CB 3.43Å; L132-Q139 VanDerWaalsContact CD1-CB 3.43Å; Q139-N157 PolarHBondContact N-O 3.12Å; Q139-F158 HydrophobicContact CB-CD2 4.4Å; Q139-F158 HydrophobicContact CG-CD2 4.25Å; Q139-F158 HydrophobicContact CG-CE2 4.4Å; Q139-F159 PolarHBondContact O-N 2.82Å
140	L	96.1	Very high	89.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	107.6	173.4	-173.4	67.1	0	0	0	110.5	I116 F117 G118 F159 T161 G345 V348 I349 F401	I116-L140 PolarHBondContact O-N 2.83Å; F117-L140 WeakPolarHBondContact CA-O 3.43Å; F117-L140 HydrophobicContact CD2-CB 4.35Å; F117-L140 HydrophobicContact CD2-CD2 4.38Å; F117-L140 HydrophobicContact CD2-CG 4.47Å; F117-L140 WeakPolarHBondContact CD2-O 3.45Å; F117-L140 HydrophobicContact CE2-CD2 4.45Å; G118-L140 PolarHBondContact N-O 3.07Å; L140-F159 WeakPolarHBondContact CA-O 3.45Å; L140-F159 HydrophobicContact CD1-CB 3.66Å; L140-T161 HydrophobicContact CD1-CG2 3.93Å; L140-T161 HydrophobicContact CD2-CG2 4.1Å; L140-T161 HydrophobicContact CG-CG2 4.17Å; L140-G345 WeakPolarHBondContact CD2-O 3.42Å; L140-V348 HydrophobicContact CD2-CB 4.05Å; L140-V348 HydrophobicContact CD2-CG1 3.89Å; L140-I349 HydrophobicContact CD2-CD1 4.12Å; L140-I349 HydrophobicContact CD2-CG1 3.88Å; L140-F401 HydrophobicContact CD1-CZ 4.11Å
141	S	95.9	Very high	89.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146	174.2	178.1	0	0	0	0	112.2	G118 G119 A143 A144 F159 R160 T161	G118-S141 WeakPolarHBondContact O-CA 3.37Å; G118-S141 WeakPolarHBondContact O-CB 3.3Å; G119-S141 PolarHBondContact O-OG 2.79Å; S141-A143 PolarHBondContact OG-N 2.91Å; S141-A144 WeakPolarHBondContact OG-CB 3.44Å; S141-A144 PolarHBondContact OG-N 3.14Å; S141-A144 VanDerWaalsContact OG-N 3.07Å; S141-F159 PolarHBondContact N-O 3.21Å; S141-R160 CarbonylContact O-C 3.5Å; S141-R160 WeakPolarHBondContact O-CA 3.19Å; S141-T161 PolarHBondContact O-N 2.85Å
142	F	93.4	Very high	89.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-109.7	-3	175.1	55.1	-103.4	0	0	0	113.5	M49 I64 F117 G118 V120 T161 V162 F338 F341 A342	M49-F142 HydrophobicContact CE-CE1 4.18Å; M49-F142 HydrophobicContact CE-CZ 3.91Å; I64-F142 HydrophobicContact CD1-CD2 3.64Å; I64-F142 HydrophobicContact CD1-CE2 3.25Å; I64-F142 HydrophobicContact CD1-CZ 4.09Å; I64-F142 HydrophobicContact CG2-CE2 4.32Å; I64-F142 HydrophobicContact CG2-CZ 4.22Å; F117-F142 HydrophobicContact CD1-CD1 4.36Å; F117-F142 HydrophobicContact CD1-CE1 4.21Å; F117-F142 HydrophobicContact CD2-CD1 4.37Å; F117-F142 AromaticContact CE1-CD1 3.73Å; F117-F142 HydrophobicContact CE1-CD1 3.73Å; F117-F142 AromaticContact CE1-CE1 3.78Å; F117-F142 HydrophobicContact CE1-CE1 3.78Å; F117-F142 AromaticContact CE2-CD1 3.76Å; F117-F142 HydrophobicContact CE2-CD1 3.76Å; F117-F142 AromaticContact CZ-CD1 3.42Å; F117-F142 HydrophobicContact CZ-CD1 3.42Å; F117-F142 VanDerWaalsContact CZ-CD1 3.42Å; F117-F142 AromaticContact CZ-CE1 3.98Å; F117-F142 HydrophobicContact CZ-CE1 3.98Å; F117-F142 HydrophobicContact CZ-CG 4.37Å; G118-F142 VanDerWaalsContact CA-CE1 3.42Å; V120-F142 HydrophobicContact CG2-CE2 3.79Å; V120-F142 HydrophobicContact CG2-CZ 3.88Å; F142-T161 WeakPolarHBondContact CA-OG1 3.42Å; F142-V162 WeakPolarHBondContact O-CB 3.39Å; F142-F338 HydrophobicContact CD2-CB 4.45Å; F142-F338 WeakPolarHBondContact O-CD1 3.38Å; F142-F341 HydrophobicContact CB-CB 4.34Å; F142-A342 HydrophobicContact CB-CB 4.17Å; F142-A342 HydrophobicContact CD1-CB 4.2Å; F142-A342 HydrophobicContact CD2-CB 4.35Å; F142-A342 HydrophobicContact CG-CB 3.96Å
143	A	92.3	Very high	90	Very high	9 Å²	9	38.5 Å²	38.5	7%	0.074	21%	0.209	C	C	.	.	S	Bend	trans	-139	-13.8	-171.8	0	0	0	0	0	115.5	V120 S141 T145 F338	V120-A143 HydrophobicContact CB-CB 4.44Å; V120-A143 HydrophobicContact CG1-CB 4.16Å; V120-A143 HydrophobicContact CG2-CB 4.35Å; S141-A143 PolarHBondContact OG-N 2.91Å; A143-T145 PolarHBondContact O-N 3.13Å; A143-F338 HydrophobicContact CB-CD1 4.1Å; A143-F338 HydrophobicContact CB-CD2 4.46Å; A143-F338 HydrophobicContact CB-CE1 4.27Å; A143-F338 HydrophobicContact CB-CG 4.18Å
144	A	91.8	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.			trans	-78.9	91.7	180	0	0	0	0	0	111.9	T125 S141 L149 F158 R160	T125-A144 HydrophobicContact CG2-CB 4.17Å; S141-A144 WeakPolarHBondContact OG-CB 3.44Å; S141-A144 PolarHBondContact OG-N 3.14Å; S141-A144 VanDerWaalsContact OG-N 3.07Å; A144-L149 HydrophobicContact CB-CD1 3.8Å; A144-F158 HydrophobicContact CB-CZ 4.38Å; A144-R160 WeakPolarHBondContact O-CD 3.48Å; A144-R160 PolarHBondContact O-NH1 3.44Å
145	T	92.1	Very high	91.1	Very high	13 Å²	13	33 Å²	33	8%	0.08	17%	0.165	C	C	.	.			trans	-85.5	-8.2	-177.2	73.5	0	0	0	0	115	A143 V162 S164 D165 R193 F301 F338	A143-T145 PolarHBondContact O-N 3.13Å; T145-V162 HydrophobicContact CG2-CG1 4.03Å; T145-V162 HydrophobicContact CG2-CG2 3.97Å; T145-S164 WeakPolarHBondContact O-CA 3.46Å; T145-D165 VanDerWaalsContact CB-OD1 3.26Å; T145-D165 WeakPolarHBondContact CB-OD1 2.97Å; T145-D165 PolarHBondContact O-N 3.44Å; T145-D165 PolarHBondContact OG1-OD1 3.22Å; T145-R193 PolarHBondContact OG1-NH2 3.3Å; T145-R193 VanDerWaalsContact OG1-NH2 3.16Å; T145-F301 HydrophobicContact CG2-CE1 4.23Å; T145-F338 HydrophobicContact CG2-CE1 4.3Å
146	T	90.9	Very high	91.6	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.117	17%	0.167	C	C	.	.			trans	-55.9	134.1	-175.6	179.9	0	0	0	0	112.6	P122 V148 L149 R160	P122-T146 HydrophobicContact CB-CG2 3.95Å; P122-T146 HydrophobicContact CG-CG2 4.48Å; T146-V148 VanDerWaalsContact C-N 3.27Å; T146-V148 PolarHBondContact O-N 3.09Å; T146-L149 HydrophobicContact CG2-CB 4.46Å; T146-L149 HydrophobicContact CG2-CD1 3.56Å; T146-L149 HydrophobicContact CG2-CG 3.75Å; T146-R160 PolarHBondContact O-NH1 3.08Å; T146-R160 PolarHBondContact O-NH2 3.42Å
147	P	91	Very high	92.1	Very high	10 Å²	10	30.5 Å²	30.5	7%	0.065	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68	-24.4	-177.8	27.2	-35.7	0	0	0	113.6	L149 A150 N166 E196 V197	P147-L149 PolarHBondContact O-N 3.25Å; P147-A150 VanDerWaalsContact O-CB 3.24Å; P147-A150 WeakPolarHBondContact O-CB 3.26Å; P147-A150 PolarHBondContact O-N 3.4Å; P147-N166 VanDerWaalsContact CB-OD1 3.24Å; P147-N166 WeakPolarHBondContact CB-OD1 3.09Å; P147-E196 HydrophobicContact CB-CB 4.25Å; P147-E196 HydrophobicContact CG-CB 3.48Å; P147-E196 VanDerWaalsContact CG-CB 3.48Å; P147-E196 HydrophobicContact CG-CG 4.19Å; P147-V197 HydrophobicContact CG-CG2 4.16Å
148	V	89.7	Confident	92.5	Very high	50 Å²	50	29.7 Å²	29.7	30%	0.303	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-56.6	-29.1	-179.2	-179.4	0	0	0	0	113	T146 A150 Y155 E196	T146-V148 VanDerWaalsContact C-N 3.27Å; T146-V148 PolarHBondContact O-N 3.09Å; V148-A150 PolarHBondContact O-N 3.43Å; V148-Y155 HydrophobicContact CG1-CE2 4.45Å; V148-Y155 VanDerWaalsContact O-CE2 3.31Å; V148-Y155 WeakPolarHBondContact O-CE2 3.18Å; V148-E196 HydrophobicContact CG2-CG 4.08Å
149	L	91.5	Very high	92.7	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-76.2	-2.2	178.8	-66.8	170.3	0	0	0	114.3	T125 A129 A144 T146 P147 Y155 F158	T125-L149 HydrophobicContact CG2-CD1 4.08Å; A129-L149 HydrophobicContact CB-CD2 4.49Å; A144-L149 HydrophobicContact CB-CD1 3.8Å; T146-L149 HydrophobicContact CG2-CB 4.46Å; T146-L149 HydrophobicContact CG2-CD1 3.56Å; T146-L149 HydrophobicContact CG2-CG 3.75Å; P147-L149 PolarHBondContact O-N 3.25Å; L149-Y155 HydrophobicContact CD2-CD1 4.27Å; L149-Y155 HydrophobicContact CD2-CD2 4.16Å; L149-Y155 HydrophobicContact CD2-CE1 4.15Å; L149-Y155 HydrophobicContact CD2-CE2 4.04Å; L149-Y155 HydrophobicContact CD2-CG 4.26Å; L149-F158 HydrophobicContact CB-CD1 4.03Å; L149-F158 HydrophobicContact CB-CE1 3.73Å; L149-F158 HydrophobicContact CB-CZ 4.35Å; L149-F158 HydrophobicContact CD1-CE1 3.98Å; L149-F158 HydrophobicContact CD1-CE2 4.32Å; L149-F158 HydrophobicContact CD1-CZ 3.73Å; L149-F158 HydrophobicContact CG-CE1 4.35Å
150	A	90.3	Very high	92.7	Very high	34 Å²	34	29.9 Å²	29.9	28%	0.281	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-78.3	-16.8	175.7	0	0	0	0	0	113.5	P147 V148 K152 E405	P147-A150 VanDerWaalsContact O-CB 3.24Å; P147-A150 WeakPolarHBondContact O-CB 3.26Å; P147-A150 PolarHBondContact O-N 3.4Å; V148-A150 PolarHBondContact O-N 3.43Å; A150-K152 PolarHBondContact O-N 3.48Å; A150-E405 HydrophobicContact CB-CG 4.32Å
151	D	91.3	Very high	92.7	Very high	77 Å²	77	29.9 Å²	29.9	41%	0.412	16%	0.155	S	C	.	.			trans	-70.8	100.5	-180	-177.6	9.2	0	0	0	111.9	K153 K154 Y155	D151-K153 PolarHBondContact O-N 3.47Å; D151-K153 VanDerWaalsContact OD1-CB 3.32Å; D151-K153 WeakPolarHBondContact OD1-CB 3.46Å; D151-K153 PolarHBondContact OD1-N 2.88Å; D151-K154 HydrophobicContact CB-CB 4.47Å; D151-K154 PolarHBondContact O-N 2.55Å; D151-K154 VanDerWaalsContact O-N 3.08Å; D151-Y155 PolarHBondContact O-N 3.07Å
152	K	90.6	Very high	92.6	Very high	61 Å²	61	29.9 Å²	29.9	27%	0.265	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.7	177.8	-72.3	-52	-163.1	170.4	0	115.9	A150 Y155 P156 F158 N403	A150-K152 PolarHBondContact O-N 3.48Å; K152-Y155 WeakPolarHBondContact CD-O 3.32Å; K152-Y155 PolarHBondContact NZ-O 3.34Å; K152-Y155 VanDerWaalsContact NZ-O 3.07Å; K152-P156 PolarHBondContact NZ-O 2.87Å; K152-F158 PolarHBondContact NZ-O 3.31Å; K152-N403 VanDerWaalsContact CE-C 3.47Å; K152-N403 WeakPolarHBondContact CE-O 3.44Å; K152-N403 HydrophobicContact CG-CB 4.45Å
153	K	91.8	Very high	92.6	Very high	198 Å²	198	30 Å²	30	86%	0.861	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-28.7	169.1	-59.7	175.4	-177.3	172.8	0	111.9	D151	D151-K153 PolarHBondContact O-N 3.47Å; D151-K153 VanDerWaalsContact OD1-CB 3.32Å; D151-K153 WeakPolarHBondContact OD1-CB 3.46Å; D151-K153 PolarHBondContact OD1-N 2.88Å
154	K	92.1	Very high	92.7	Very high	78 Å²	78	29.9 Å²	29.9	34%	0.339	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-30.3	-179.2	-166.2	167.8	-167.3	-90.9	0	113.2	E130 D151 P156	E130-K154 VanDerWaalsContact CD-CE 3.45Å; E130-K154 WeakPolarHBondContact OE1-CE 3.09Å; E130-K154 IonicContact OE1-NZ 3.93Å; E130-K154 PolarHBondContact OE1-NZ 2.91Å; E130-K154 VanDerWaalsContact OE1-NZ 3.13Å; E130-K154 IonicContact OE2-NZ 3.12Å; E130-K154 PolarHBondContact OE2-NZ 3.18Å; D151-K154 HydrophobicContact CB-CB 4.47Å; D151-K154 PolarHBondContact O-N 2.55Å; D151-K154 VanDerWaalsContact O-N 3.08Å; K154-P156 VanDerWaalsContact C-CD 3.46Å
155	Y	94.1	Very high	92.7	Very high	6 Å²	6	30.9 Å²	30.9	2%	0.024	16%	0.159	C	C	.	.			trans	-128.3	61.4	-175.4	-51.2	-66.3	0	0	0	112.2	S126 A129 E130 V148 L149 D151 K152 N157 F158	S126-Y155 WeakPolarHBondContact O-CE1 3.49Å; A129-Y155 HydrophobicContact CB-CD1 3.66Å; A129-Y155 HydrophobicContact CB-CE1 4.19Å; A129-Y155 HydrophobicContact CB-CG 4.5Å; E130-Y155 HydrophobicContact CB-CD1 4.45Å; E130-Y155 HydrophobicContact CB-CE1 3.99Å; V148-Y155 HydrophobicContact CG1-CE2 4.45Å; V148-Y155 VanDerWaalsContact O-CE2 3.31Å; V148-Y155 WeakPolarHBondContact O-CE2 3.18Å; L149-Y155 HydrophobicContact CD2-CD1 4.27Å; L149-Y155 HydrophobicContact CD2-CD2 4.16Å; L149-Y155 HydrophobicContact CD2-CE1 4.15Å; L149-Y155 HydrophobicContact CD2-CE2 4.04Å; L149-Y155 HydrophobicContact CD2-CG 4.26Å; D151-Y155 PolarHBondContact O-N 3.07Å; K152-Y155 WeakPolarHBondContact CD-O 3.32Å; K152-Y155 PolarHBondContact NZ-O 3.34Å; K152-Y155 VanDerWaalsContact NZ-O 3.07Å; Y155-N157 PolarHBondContact O-N 3.5Å; Y155-F158 PolarHBondContact O-N 3.36Å
156	P	92.5	Very high	92.7	Very high	40 Å²	40	31.6 Å²	31.6	26%	0.26	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-47.1	-176.5	23.4	-33	0	0	0	111.9	K152 K154 F158	K152-P156 PolarHBondContact NZ-O 2.87Å; K154-P156 VanDerWaalsContact C-CD 3.46Å; P156-F158 VanDerWaalsContact C-N 3.33Å; P156-F158 PolarHBondContact O-N 2.96Å
157	N	93.1	Very high	92.8	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	17.8	-173.3	-63	7.7	0	0	0	114.5	L132 L137 V138 Q139 Y155 L384	L132-N157 HydrophobicContact CB-CB 4.05Å; L132-N157 HydrophobicContact CD1-CB 4.32Å; L137-N157 WeakPolarHBondContact O-CB 3.15Å; L137-N157 PolarHBondContact O-ND2 3.05Å; V138-N157 HydrophobicContact CG1-CB 4.3Å; V138-N157 WeakPolarHBondContact CG1-O 3.46Å; Q139-N157 PolarHBondContact N-O 3.12Å; Y155-N157 PolarHBondContact O-N 3.5Å; N157-L384 WeakPolarHBondContact OD1-CD1 2.95Å
158	F	95.3	Very high	92.9	Very high	3 Å²	3	33 Å²	33	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.2	179.9	-178.3	-97.8	0	0	0	112.7	T125 A129 Q139 A144 L149 K152 Y155 P156 R160	T125-F158 HydrophobicContact CG2-CE2 3.75Å; T125-F158 HydrophobicContact CG2-CZ 4.33Å; A129-F158 HydrophobicContact CB-CB 4.33Å; A129-F158 HydrophobicContact CB-CD2 3.98Å; A129-F158 HydrophobicContact CB-CG 4.4Å; Q139-F158 HydrophobicContact CB-CD2 4.4Å; Q139-F158 HydrophobicContact CG-CD2 4.25Å; Q139-F158 HydrophobicContact CG-CE2 4.4Å; A144-F158 HydrophobicContact CB-CZ 4.38Å; L149-F158 HydrophobicContact CB-CD1 4.03Å; L149-F158 HydrophobicContact CB-CE1 3.73Å; L149-F158 HydrophobicContact CB-CZ 4.35Å; L149-F158 HydrophobicContact CD1-CE1 3.98Å; L149-F158 HydrophobicContact CD1-CE2 4.32Å; L149-F158 HydrophobicContact CD1-CZ 3.73Å; L149-F158 HydrophobicContact CG-CE1 4.35Å; K152-F158 PolarHBondContact NZ-O 3.31Å; Y155-F158 PolarHBondContact O-N 3.36Å; P156-F158 VanDerWaalsContact C-N 3.33Å; P156-F158 PolarHBondContact O-N 2.96Å; F158-R160 HydrophobicContact CE1-CB 4.11Å; F158-R160 HydrophobicContact CE1-CG 4.19Å; F158-R160 HydrophobicContact CZ-CB 4.25Å
159	F	95.8	Very high	93.2	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.022	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.9	173.2	-73.4	-106.8	0	0	0	109.8	V138 Q139 L140 S141 L384 M387 F401 G404	V138-F159 HydrophobicContact CG1-CD2 3.88Å; V138-F159 HydrophobicContact CG1-CE2 4.03Å; Q139-F159 PolarHBondContact O-N 2.82Å; L140-F159 WeakPolarHBondContact CA-O 3.45Å; L140-F159 HydrophobicContact CD1-CB 3.66Å; S141-F159 PolarHBondContact N-O 3.21Å; F159-L384 HydrophobicContact CE2-CG 4.19Å; F159-L384 HydrophobicContact CZ-CG 4.37Å; F159-M387 HydrophobicContact CB-CE 4.14Å; F159-M387 HydrophobicContact CD1-CB 4.32Å; F159-M387 HydrophobicContact CD1-CE 4.44Å; F159-M387 HydrophobicContact CD2-CE 3.48Å; F159-M387 VanDerWaalsContact CD2-CE 3.48Å; F159-M387 HydrophobicContact CE1-CB 3.98Å; F159-M387 HydrophobicContact CE2-CB 4.48Å; F159-M387 HydrophobicContact CE2-CE 3.94Å; F159-M387 HydrophobicContact CG-CE 3.78Å; F159-M387 HydrophobicContact CG-SD 4.4Å; F159-M387 HydrophobicContact CZ-CB 4.07Å; F159-F401 HydrophobicContact CD1-CB 4.27Å; F159-F401 HydrophobicContact CD1-CD1 4.34Å; F159-F401 HydrophobicContact CD1-CD2 4.1Å; F159-F401 AromaticContact CD1-CG 3.97Å; F159-F401 HydrophobicContact CD1-CG 3.97Å; F159-F401 HydrophobicContact CE1-CB 4.38Å; F159-F401 HydrophobicContact CE1-CG 4.47Å; F159-G404 WeakPolarHBondContact CA-O 3.42Å
160	R	95.4	Very high	93.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.3	173.9	55.2	172.9	162.1	-148.5	-5.5	114.5	S141 A144 T146 F158 V162 F401 G404 E405 R406	S141-R160 CarbonylContact O-C 3.5Å; S141-R160 WeakPolarHBondContact O-CA 3.19Å; A144-R160 WeakPolarHBondContact O-CD 3.48Å; A144-R160 PolarHBondContact O-NH1 3.44Å; T146-R160 PolarHBondContact O-NH1 3.08Å; T146-R160 PolarHBondContact O-NH2 3.42Å; F158-R160 HydrophobicContact CE1-CB 4.11Å; F158-R160 HydrophobicContact CE1-CG 4.19Å; F158-R160 HydrophobicContact CZ-CB 4.25Å; R160-V162 VanDerWaalsContact C-N 3.35Å; R160-V162 WeakPolarHBondContact CD-O 3.33Å; R160-F401 VanDerWaalsContact O-CE1 3.3Å; R160-F401 WeakPolarHBondContact O-CE1 3.48Å; R160-G404 PolarHBondContact N-O 3.42Å; R160-E405 IonicContact CZ-OE1 2.69Å; R160-E405 IonicContact NE-OE1 2.75Å; R160-E405 IonicContact NH2-OE1 3.78Å; R160-E405 PolarHBondContact NH2-OE1 3.07Å; R160-R406 WeakPolarHBondContact O-CB 3.37Å
161	T	95.1	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-81.9	-10.1	175.6	56.8	0	0	0	0	114.1	L140 S141 F142 F341 V348 F401 R406	L140-T161 HydrophobicContact CD1-CG2 3.93Å; L140-T161 HydrophobicContact CD2-CG2 4.1Å; L140-T161 HydrophobicContact CG-CG2 4.17Å; S141-T161 PolarHBondContact O-N 2.85Å; F142-T161 WeakPolarHBondContact CA-OG1 3.42Å; T161-F341 WeakPolarHBondContact CB-O 3.35Å; T161-F341 WeakPolarHBondContact O-CD1 3.14Å; T161-F341 PolarHBondContact OG1-O 2.72Å; T161-V348 HydrophobicContact CG2-CG2 4.45Å; T161-F401 HydrophobicContact CG2-CE1 4.47Å; T161-F401 HydrophobicContact CG2-CZ 4.21Å; T161-R406 WeakPolarHBondContact O-CD 3.34Å; T161-R406 PolarHBondContact O-NH1 2.93Å
162	V	94.4	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-95.8	140.4	172.3	66.7	0	0	0	0	110.4	F142 T145 R160 F301 F338 F341	F142-V162 WeakPolarHBondContact O-CB 3.39Å; T145-V162 HydrophobicContact CG2-CG1 4.03Å; T145-V162 HydrophobicContact CG2-CG2 3.97Å; R160-V162 VanDerWaalsContact C-N 3.35Å; R160-V162 WeakPolarHBondContact CD-O 3.33Å; V162-F301 HydrophobicContact CG2-CD1 4.33Å; V162-F301 HydrophobicContact CG2-CE1 3.97Å; V162-F301 HydrophobicContact CG2-CE2 4.38Å; V162-F301 HydrophobicContact CG2-CZ 3.98Å; V162-F338 HydrophobicContact CG2-CD1 4.21Å; V162-F338 HydrophobicContact CG2-CE1 4.07Å; V162-F341 HydrophobicContact CB-CD1 4.46Å; V162-F341 HydrophobicContact CB-CG 4.29Å; V162-F341 HydrophobicContact CG2-CD2 4.22Å; V162-F341 HydrophobicContact CG2-CE2 4.27Å; V162-F341 HydrophobicContact CG2-CG 4.45Å; V162-F341 HydrophobicContact CG2-CZ 4.5Å
163	P	94.3	Very high	94.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-57.3	151.2	169.1	-25.1	36.2	0	0	0	112.2	A167 F301	P163-A167 HydrophobicContact CB-CB 3.98Å; P163-F301 HydrophobicContact CB-CB 4.48Å; P163-F301 HydrophobicContact CG-CB 4.1Å
164	S	92.9	Very high	94.5	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.042	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-81	162.8	174.4	63.4	0	0	0	0	111.9	T145 N166 A167 E405	T145-S164 WeakPolarHBondContact O-CA 3.46Å; S164-N166 PolarHBondContact O-N 3.36Å; S164-A167 VanDerWaalsContact O-CB 3.27Å; S164-A167 WeakPolarHBondContact O-CB 3.34Å; S164-A167 PolarHBondContact O-N 3.06Å; S164-E405 WeakPolarHBondContact CB-OE1 3.37Å; S164-E405 PolarHBondContact OG-OE1 2.81Å
165	D	92.1	Very high	94.7	Very high	22 Å²	22	15.2 Å²	15.2	12%	0.118	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.9	174	-58.9	-27.2	0	0	0	111.7	T145 A167 V168 R193 V197	T145-D165 VanDerWaalsContact CB-OD1 3.26Å; T145-D165 WeakPolarHBondContact CB-OD1 2.97Å; T145-D165 PolarHBondContact O-N 3.44Å; T145-D165 PolarHBondContact OG1-OD1 3.22Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 2.74Å; D165-V168 WeakPolarHBondContact O-CB 3.44Å; D165-V168 PolarHBondContact O-N 2.91Å; D165-R193 VanDerWaalsContact CG-NH2 3.3Å; D165-R193 IonicContact OD1-CZ 2.79Å; D165-R193 IonicContact OD1-NH2 3.81Å; D165-R193 PolarHBondContact OD1-NH2 3.4Å; D165-R193 IonicContact OD2-CZ 2.89Å; D165-R193 VanDerWaalsContact OD2-CZ 3.25Å; D165-R193 IonicContact OD2-NE 2.71Å; D165-R193 PolarHBondContact OD2-NE 2.97Å; D165-R193 IonicContact OD2-NH2 3.16Å; D165-R193 PolarHBondContact OD2-NH2 2.89Å; D165-V197 HydrophobicContact CB-CG2 3.66Å
166	N	92.7	Very high	94.8	Very high	27 Å²	27	14.9 Å²	14.9	14%	0.144	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-69.5	-23.8	174.6	-73.4	15.9	0	0	0	113.2	P147 S164 V168 N169 P170 D200	P147-N166 VanDerWaalsContact CB-OD1 3.24Å; P147-N166 WeakPolarHBondContact CB-OD1 3.09Å; S164-N166 PolarHBondContact O-N 3.36Å; N166-V168 PolarHBondContact O-N 3.08Å; N166-N169 WeakPolarHBondContact O-CB 3.13Å; N166-N169 PolarHBondContact O-N 3.19Å; N166-P170 VanDerWaalsContact O-CD 3.31Å; N166-P170 WeakPolarHBondContact O-CD 3.38Å; N166-D200 WeakPolarHBondContact ND2-CB 2.9Å; N166-D200 PolarHBondContact ND2-OD1 3.42Å
167	A	92.6	Very high	95	Very high	25 Å²	25	16.6 Å²	16.6	21%	0.207	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16.1	178.3	0	0	0	0	0	113.1	P163 S164 D165 I410	P163-A167 HydrophobicContact CB-CB 3.98Å; S164-A167 VanDerWaalsContact O-CB 3.27Å; S164-A167 WeakPolarHBondContact O-CB 3.34Å; S164-A167 PolarHBondContact O-N 3.06Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 2.74Å; A167-I410 HydrophobicContact CB-CD1 4.21Å
168	V	93.6	Very high	95.1	Very high	35 Å²	35	20.9 Å²	20.9	21%	0.212	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-35	171.7	173.8	0	0	0	0	112.1	D165 N166 A171 V172 V299	D165-V168 WeakPolarHBondContact O-CB 3.44Å; D165-V168 PolarHBondContact O-N 2.91Å; N166-V168 PolarHBondContact O-N 3.08Å; V168-A171 WeakPolarHBondContact O-CB 3.49Å; V168-A171 PolarHBondContact O-N 3.18Å; V168-A171 VanDerWaalsContact O-N 3.16Å; V168-V172 HydrophobicContact CG1-CG2 3.87Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 3.42Å; V168-V299 HydrophobicContact CG1-CB 3.95Å; V168-V299 HydrophobicContact CG1-CG1 3.72Å
169	N	95.4	Very high	95	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-50.9	-171.7	-69	-24.6	0	0	0	112.6	N166 A171 V172 I173 V197 D200 L201	N166-N169 WeakPolarHBondContact O-CB 3.13Å; N166-N169 PolarHBondContact O-N 3.19Å; N169-A171 PolarHBondContact O-N 2.74Å; N169-V172 PolarHBondContact O-N 3.39Å; N169-V172 VanDerWaalsContact O-N 3.11Å; N169-I173 WeakPolarHBondContact O-CG1 3.36Å; N169-I173 PolarHBondContact O-N 2.92Å; N169-V197 PolarHBondContact ND2-O 3.47Å; N169-D200 PolarHBondContact ND2-OD2 3.28Å; N169-L201 HydrophobicContact CB-CD1 4.29Å; N169-L201 PolarHBondContact ND2-N 3.06Å
170	P	95.6	Very high	95	Very high	41 Å²	41	29 Å²	29	27%	0.266	15%	0.149	S	C	.	.	H	α-helix	trans	-57.8	-34.9	175.7	-26.1	35.5	0	0	0	113.8	N166 I173 K174 Y426	N166-P170 VanDerWaalsContact O-CD 3.31Å; N166-P170 WeakPolarHBondContact O-CD 3.38Å; P170-I173 PolarHBondContact O-N 3.21Å; P170-K174 WeakPolarHBondContact O-CG 3.44Å; P170-K174 PolarHBondContact O-N 3.47Å; P170-K174 VanDerWaalsContact O-N 3.11Å; P170-Y426 HydrophobicContact CB-CE1 4.34Å
171	A	96.4	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-46.4	176.8	0	0	0	0	0	111	V168 N169 I173 K174 F175 I410 F412 Y426	V168-A171 WeakPolarHBondContact O-CB 3.49Å; V168-A171 PolarHBondContact O-N 3.18Å; V168-A171 VanDerWaalsContact O-N 3.16Å; N169-A171 PolarHBondContact O-N 2.74Å; A171-I173 PolarHBondContact O-N 3.08Å; A171-K174 PolarHBondContact O-N 3.47Å; A171-F175 PolarHBondContact O-N 3.15Å; A171-I410 HydrophobicContact CB-CB 3.91Å; A171-I410 HydrophobicContact CB-CG1 4.08Å; A171-I410 HydrophobicContact CB-CG2 3.76Å; A171-F412 HydrophobicContact CB-CE2 4.13Å; A171-F412 HydrophobicContact CB-CZ 3.75Å; A171-F412 WeakPolarHBondContact O-CZ 3.48Å; A171-Y426 HydrophobicContact CB-CD1 3.39Å; A171-Y426 HydrophobicContact CB-CE1 4.01Å; A171-Y426 HydrophobicContact CB-CG 3.82Å
172	V	97.1	Very high	95	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176.1	173.5	0	0	0	0	110.6	V168 N169 K174 F175 L176 I238 I266 V299	V168-V172 HydrophobicContact CG1-CG2 3.87Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 3.42Å; N169-V172 PolarHBondContact O-N 3.39Å; N169-V172 VanDerWaalsContact O-N 3.11Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 2.96Å; V172-F175 WeakPolarHBondContact O-CB 3.27Å; V172-F175 PolarHBondContact O-N 2.79Å; V172-F175 VanDerWaalsContact O-N 3.09Å; V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 HydrophobicContact CG1-CG 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 3.22Å; V172-I238 HydrophobicContact CG1-CD1 4.06Å; V172-I266 HydrophobicContact CG1-CD1 4.36Å; V172-I266 HydrophobicContact CG2-CG2 4.29Å; V172-V299 HydrophobicContact CG2-CG2 4.24Å
173	I	97.1	Very high	95.1	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-43.8	175.3	-63.3	-56.4	0	0	0	112	N169 P170 A171 F175 L176 N177 E204 L205 A208 I210	N169-I173 WeakPolarHBondContact O-CG1 3.36Å; N169-I173 PolarHBondContact O-N 2.92Å; P170-I173 PolarHBondContact O-N 3.21Å; A171-I173 PolarHBondContact O-N 3.08Å; I173-F175 VanDerWaalsContact C-N 3.34Å; I173-L176 PolarHBondContact O-N 2.89Å; I173-N177 WeakPolarHBondContact CG2-ND2 3.46Å; I173-N177 WeakPolarHBondContact O-CB 3.43Å; I173-N177 PolarHBondContact O-N 3.25Å; I173-N177 PolarHBondContact O-ND2 2.98Å; I173-E204 HydrophobicContact CD1-CB 4.47Å; I173-E204 HydrophobicContact CG1-CB 4.08Å; I173-L205 HydrophobicContact CD1-CB 4.33Å; I173-L205 HydrophobicContact CD1-CD2 3.4Å; I173-L205 HydrophobicContact CD1-CG 3.71Å; I173-A208 HydrophobicContact CD1-CB 4.48Å; I173-A208 HydrophobicContact CG2-CB 3.54Å; I173-I210 HydrophobicContact CD1-CD1 4.34Å
174	K	96.7	Very high	95.3	Very high	66 Å²	66	33.8 Å²	33.8	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-37.6	177.2	-69.4	-80.7	176.4	144	0	112	P170 A171 V172 Y178 Y426 D431 L433	P170-K174 WeakPolarHBondContact O-CG 3.44Å; P170-K174 PolarHBondContact O-N 3.47Å; P170-K174 VanDerWaalsContact O-N 3.11Å; A171-K174 PolarHBondContact O-N 3.47Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 2.96Å; K174-Y178 PolarHBondContact O-N 2.86Å; K174-Y426 HydrophobicContact CB-CD2 4.45Å; K174-Y426 HydrophobicContact CB-CE2 4.47Å; K174-Y426 HydrophobicContact CG-CD2 4.31Å; K174-Y426 HydrophobicContact CG-CE2 3.85Å; K174-D431 WeakPolarHBondContact CE-OD1 3.24Å; K174-D431 PolarHBondContact NZ-O 3.48Å; K174-D431 VanDerWaalsContact NZ-O 3.08Å; K174-D431 IonicContact NZ-OD1 3.85Å; K174-D431 PolarHBondContact NZ-OD1 2.87Å; K174-D431 IonicContact NZ-OD2 3.17Å; K174-D431 PolarHBondContact NZ-OD2 3.18Å; K174-L433 HydrophobicContact CB-CB 4.33Å; K174-L433 HydrophobicContact CB-CD2 4.34Å
175	F	96.3	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-44.3	175.5	-172.4	-98.5	0	0	0	112.6	A171 V172 I173 N177 Y178 Y179 W181 I266 I297 F412 L433 L435 I440	A171-F175 PolarHBondContact O-N 3.15Å; V172-F175 WeakPolarHBondContact O-CB 3.27Å; V172-F175 PolarHBondContact O-N 2.79Å; V172-F175 VanDerWaalsContact O-N 3.09Å; I173-F175 VanDerWaalsContact C-N 3.34Å; F175-N177 PolarHBondContact O-N 3.4Å; F175-Y178 PolarHBondContact O-N 2.91Å; F175-Y179 HydrophobicContact CD2-CE2 4.42Å; F175-Y179 HydrophobicContact CE1-CD2 4.26Å; F175-Y179 HydrophobicContact CE1-CE2 4.31Å; F175-Y179 HydrophobicContact CE2-CD2 4.4Å; F175-Y179 AromaticContact CE2-CE2 3.8Å; F175-Y179 HydrophobicContact CE2-CE2 3.8Å; F175-Y179 HydrophobicContact CZ-CD2 4.16Å; F175-Y179 AromaticContact CZ-CE2 3.74Å; F175-Y179 HydrophobicContact CZ-CE2 3.74Å; F175-Y179 PolarHBondContact O-N 3.25Å; F175-W181 HydrophobicContact CD1-CZ3 4.28Å; F175-W181 HydrophobicContact CE1-CH2 4.42Å; F175-W181 AromaticContact CE1-CZ3 3.84Å; F175-W181 HydrophobicContact CE1-CZ3 3.84Å; F175-I266 HydrophobicContact CD1-CD1 4.21Å; F175-I266 HydrophobicContact CE1-CD1 4.42Å; F175-I297 HydrophobicContact CE1-CG1 4.17Å; F175-I297 HydrophobicContact CE1-CG2 4.46Å; F175-I297 HydrophobicContact CZ-CD1 4.16Å; F175-I297 HydrophobicContact CZ-CG1 3.93Å; F175-I297 HydrophobicContact CZ-CG2 4.34Å; F175-F412 HydrophobicContact CB-CE1 3.92Å; F175-F412 HydrophobicContact CB-CZ 4.01Å; F175-F412 HydrophobicContact CD2-CD1 4.09Å; F175-F412 HydrophobicContact CD2-CE1 4.06Å; F175-F412 HydrophobicContact CD2-CZ 4.48Å; F175-F412 HydrophobicContact CE2-CD1 4.45Å; F175-F412 HydrophobicContact CG-CD1 4.4Å; F175-F412 AromaticContact CG-CE1 3.99Å; F175-F412 HydrophobicContact CG-CE1 3.99Å; F175-F412 HydrophobicContact CG-CZ 4.47Å; F175-L433 HydrophobicContact CB-CD2 4.42Å; F175-L435 HydrophobicContact CD2-CD1 4.44Å; F175-L435 HydrophobicContact CD2-CD2 4.2Å; F175-L435 HydrophobicContact CE2-CD1 4.45Å; F175-L435 HydrophobicContact CE2-CD2 4.14Å; F175-I440 HydrophobicContact CE2-CD1 4.41Å; F175-I440 HydrophobicContact CZ-CD1 4.31Å
176	L	97.2	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175	-64.2	176.9	0	0	0	111.6	V172 I173 Y178 Y179 N180 W181 V184 L205 I210 I236 I238 I266	V172-L176 HydrophobicContact CG1-CD1 4.22Å; V172-L176 HydrophobicContact CG1-CG 4.22Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 3.22Å; I173-L176 PolarHBondContact O-N 2.89Å; L176-Y178 PolarHBondContact O-N 3.36Å; L176-Y179 PolarHBondContact O-N 2.74Å; L176-N180 PolarHBondContact O-N 3.36Å; L176-W181 HydrophobicContact CD2-CB 4.39Å; L176-W181 HydrophobicContact CD2-CE3 3.81Å; L176-W181 PolarHBondContact O-N 2.93Å; L176-V184 HydrophobicContact CD1-CG1 3.84Å; L176-V184 HydrophobicContact CD2-CG1 3.93Å; L176-L205 HydrophobicContact CD1-CD2 3.8Å; L176-I210 HydrophobicContact CB-CD1 3.83Å; L176-I210 HydrophobicContact CD1-CD1 3.81Å; L176-I210 HydrophobicContact CD1-CG2 4.36Å; L176-I210 HydrophobicContact CG-CD1 4.5Å; L176-I236 HydrophobicContact CD2-CG2 3.89Å; L176-I238 HydrophobicContact CD1-CD1 4.35Å; L176-I266 HydrophobicContact CD2-CD1 3.99Å
177	N	96.1	Very high	96	Very high	75 Å²	75	31.2 Å²	31.2	40%	0.401	16%	0.16	S	C	.	.	H	α-helix	trans	-64.7	-36.4	178.6	-79.3	-49.5	0	0	0	112.8	I173 F175 Y179 N180	I173-N177 WeakPolarHBondContact CG2-ND2 3.46Å; I173-N177 WeakPolarHBondContact O-CB 3.43Å; I173-N177 PolarHBondContact O-N 3.25Å; I173-N177 PolarHBondContact O-ND2 2.98Å; F175-N177 PolarHBondContact O-N 3.4Å; N177-Y179 VanDerWaalsContact C-N 3.27Å; N177-Y179 PolarHBondContact O-N 2.86Å; N177-N180 PolarHBondContact O-N 3.26Å; N177-N180 VanDerWaalsContact O-N 3.1Å
178	Y	95.1	Very high	96.2	Very high	111 Å²	111	30 Å²	30	44%	0.435	15%	0.151	S	C	.	.	H	α-helix	trans	-58.8	-38.3	176	-175.1	-88.3	0	0	0	112.4	K174 F175 L176 L435 N437	K174-Y178 PolarHBondContact O-N 2.86Å; F175-Y178 PolarHBondContact O-N 2.91Å; L176-Y178 PolarHBondContact O-N 3.36Å; Y178-L435 HydrophobicContact CD1-CD1 3.49Å; Y178-L435 VanDerWaalsContact CD1-CD1 3.49Å; Y178-L435 HydrophobicContact CD2-CD1 4.05Å; Y178-L435 HydrophobicContact CE1-CD1 3.55Å; Y178-L435 HydrophobicContact CE2-CD1 4.09Å; Y178-L435 HydrophobicContact CG-CD1 3.76Å; Y178-N437 PolarHBondContact OH-OD1 3.04Å
179	Y	93.6	Very high	96.3	Very high	37 Å²	37	29.1 Å²	29.1	15%	0.145	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.4	177.1	-71.9	-69.8	0	0	0	114.5	F175 L176 N177 W181 L435 F442 P447	F175-Y179 HydrophobicContact CD2-CE2 4.42Å; F175-Y179 HydrophobicContact CE1-CD2 4.26Å; F175-Y179 HydrophobicContact CE1-CE2 4.31Å; F175-Y179 HydrophobicContact CE2-CD2 4.4Å; F175-Y179 AromaticContact CE2-CE2 3.8Å; F175-Y179 HydrophobicContact CE2-CE2 3.8Å; F175-Y179 HydrophobicContact CZ-CD2 4.16Å; F175-Y179 AromaticContact CZ-CE2 3.74Å; F175-Y179 HydrophobicContact CZ-CE2 3.74Å; F175-Y179 PolarHBondContact O-N 3.25Å; L176-Y179 PolarHBondContact O-N 2.74Å; N177-Y179 VanDerWaalsContact C-N 3.27Å; N177-Y179 PolarHBondContact O-N 2.86Å; Y179-W181 HydrophobicContact CD2-CH2 4.1Å; Y179-W181 HydrophobicContact CD2-CZ3 4.19Å; Y179-W181 HydrophobicContact CG-CH2 4.15Å; Y179-W181 HydrophobicContact CG-CZ2 4.1Å; Y179-W181 HydrophobicContact CG-CZ3 4.45Å; Y179-W181 PolarHBondContact O-N 2.81Å; Y179-L435 HydrophobicContact CE2-CD1 4.36Å; Y179-F442 AromaticContact CE1-CE2 4Å; Y179-F442 HydrophobicContact CE1-CE2 4Å; Y179-F442 AromaticContact CE1-CZ 3.99Å; Y179-F442 HydrophobicContact CE1-CZ 3.99Å; Y179-F442 HydrophobicContact CE2-CZ 4.35Å; Y179-F442 AromaticContact CZ-CZ 3.83Å; Y179-P447 HydrophobicContact CD1-CB 3.96Å; Y179-P447 HydrophobicContact CD1-CG 3.72Å; Y179-P447 HydrophobicContact CE1-CB 4.26Å; Y179-P447 HydrophobicContact CE1-CG 3.7Å
180	N	94.8	Very high	96.2	Very high	141 Å²	141	32.3 Å²	32.3	75%	0.754	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	-174.9	-58.6	-71	0	0	0	113.9	L176 N177 S182	L176-N180 PolarHBondContact O-N 3.36Å; N177-N180 PolarHBondContact O-N 3.26Å; N177-N180 VanDerWaalsContact O-N 3.1Å; N180-S182 PolarHBondContact O-N 3.21Å
181	W	96.2	Very high	95.9	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.038	17%	0.167	C	C	.	.			trans	-83.5	112.2	176.3	-66.2	-27.6	0	0	0	110.9	F175 L176 Y179 I236 Q264 F442 P447 P448 D450	F175-W181 HydrophobicContact CD1-CZ3 4.28Å; F175-W181 HydrophobicContact CE1-CH2 4.42Å; F175-W181 AromaticContact CE1-CZ3 3.84Å; F175-W181 HydrophobicContact CE1-CZ3 3.84Å; L176-W181 HydrophobicContact CD2-CB 4.39Å; L176-W181 HydrophobicContact CD2-CE3 3.81Å; L176-W181 PolarHBondContact O-N 2.93Å; Y179-W181 HydrophobicContact CD2-CH2 4.1Å; Y179-W181 HydrophobicContact CD2-CZ3 4.19Å; Y179-W181 HydrophobicContact CG-CH2 4.15Å; Y179-W181 HydrophobicContact CG-CZ2 4.1Å; Y179-W181 HydrophobicContact CG-CZ3 4.45Å; Y179-W181 PolarHBondContact O-N 2.81Å; W181-I236 HydrophobicContact CB-CG1 4.33Å; W181-I236 HydrophobicContact CD2-CD1 3.66Å; W181-I236 HydrophobicContact CD2-CG1 3.97Å; W181-I236 HydrophobicContact CE3-CD1 4Å; W181-I236 HydrophobicContact CE3-CG1 4.31Å; W181-I236 HydrophobicContact CE3-CG2 4.02Å; W181-I236 HydrophobicContact CG-CD1 4.08Å; W181-I236 HydrophobicContact CG-CG1 3.98Å; W181-I236 HydrophobicContact CH2-CD1 4.3Å; W181-I236 HydrophobicContact CZ2-CD1 3.96Å; W181-I236 HydrophobicContact CZ3-CD1 4.31Å; W181-I236 HydrophobicContact CZ3-CG2 4.48Å; W181-Q264 HydrophobicContact CH2-CB 4.17Å; W181-Q264 HydrophobicContact CH2-CG 3.84Å; W181-Q264 HydrophobicContact CZ3-CG 4.07Å; W181-F442 HydrophobicContact CH2-CE1 4.48Å; W181-P447 HydrophobicContact CZ2-CB 4.16Å; W181-P448 HydrophobicContact CZ2-CG 3.97Å; W181-P448 PolarHBondContact NE1-O 2.94Å; W181-D450 HydrophobicContact CB-CB 4.48Å
182	S	95.4	Very high	95.5	Very high	49 Å²	49	39.7 Å²	39.7	34%	0.343	20%	0.196	S	C	.	.			trans	-103.2	-8	-174.5	68.2	0	0	0	0	113.9	N180 H211 D450 R451	N180-S182 PolarHBondContact O-N 3.21Å; S182-H211 PolarHBondContact O-N 2.64Å; S182-D450 WeakPolarHBondContact CA-OD2 3.45Å; S182-D450 WeakPolarHBondContact CB-OD2 3.36Å; S182-D450 PolarHBondContact N-OD2 3.01Å; S182-D450 PolarHBondContact OG-OD2 3.18Å; S182-R451 PolarHBondContact OG-NH2 2.92Å
183	R	95.8	Very high	95	Very high	45 Å²	45	43.3 Å²	43.3	17%	0.17	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.5	-176	-176.2	173.8	177	-92.6	1.1	111.1	H211 A213 N232 D233 D450	R183-H211 WeakPolarHBondContact CA-O 3.44Å; R183-A213 HydrophobicContact CG-CB 3.74Å; R183-N232 PolarHBondContact NH2-O 3.01Å; R183-D233 PolarHBondContact NH1-O 2.9Å; R183-D450 HydrophobicContact CB-CB 4.15Å; R183-D450 PolarHBondContact N-OD2 3.09Å; R183-D450 PolarHBondContact NH1-O 2.91Å
184	V	97.7	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.9	-178.3	-58.9	0	0	0	0	110.8	L176 L205 I210 H211 I212 A213 I236 I238	L176-V184 HydrophobicContact CD1-CG1 3.84Å; L176-V184 HydrophobicContact CD2-CG1 3.93Å; V184-L205 HydrophobicContact CG2-CD1 3.99Å; V184-L205 HydrophobicContact CG2-CD2 4.01Å; V184-I210 HydrophobicContact CG1-CG2 4.12Å; V184-I210 HydrophobicContact CG2-CG2 4.17Å; V184-H211 PolarHBondContact N-O 2.99Å; V184-H211 VanDerWaalsContact N-O 3.13Å; V184-I212 HydrophobicContact CG2-CG1 4.46Å; V184-I212 CarbonylContact O-C 3.55Å; V184-I212 WeakPolarHBondContact O-CA 3.32Å; V184-A213 WeakPolarHBondContact O-CB 3.35Å; V184-A213 PolarHBondContact O-N 3.26Å; V184-I236 CarbonylContact C-O 3.59Å; V184-I236 WeakPolarHBondContact CA-O 3.45Å; V184-I236 HydrophobicContact CG1-CB 4.12Å; V184-I236 HydrophobicContact CG1-CG2 3.9Å; V184-I238 HydrophobicContact CB-CD1 4.31Å; V184-I238 HydrophobicContact CG1-CD1 4.49Å; V184-I238 HydrophobicContact CG2-CD1 4.24Å
185	G	97.6	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.6	163.6	0	0	0	0	0	111.2	D214 I236 I237 I238	G185-D214 VanDerWaalsContact CA-O 3.27Å; G185-D214 WeakPolarHBondContact CA-O 3.31Å; G185-I236 PolarHBondContact N-O 2.87Å; G185-I237 WeakPolarHBondContact O-CA 3.49Å; G185-I238 PolarHBondContact O-N 2.8Å
186	T	97.5	Very high	94.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133	-177.6	60.9	0	0	0	0	110.9	L201 D214 T215 E216 I238	T186-L201 HydrophobicContact CG2-CD2 4.13Å; T186-D214 PolarHBondContact N-O 2.96Å; T186-D214 VanDerWaalsContact N-O 3.08Å; T186-T215 WeakPolarHBondContact OG1-CG2 3.33Å; T186-T215 PolarHBondContact OG1-OG1 3.31Å; T186-E216 PolarHBondContact O-N 3.31Å; T186-I238 WeakPolarHBondContact CA-O 3.31Å
187	L	97.7	Very high	94.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	107.3	176.3	-177.4	64.7	0	0	0	110	E216 F218 N225 V226 L229 I237 I238 G239 Q240 F241 V249 W265	L187-E216 WeakPolarHBondContact CA-O 3.4Å; L187-E216 HydrophobicContact CD1-CB 4.13Å; L187-F218 HydrophobicContact CD1-CD1 3.8Å; L187-F218 HydrophobicContact CD1-CE1 4.09Å; L187-F218 HydrophobicContact CD2-CE1 4.45Å; L187-F218 HydrophobicContact CG-CD1 4.18Å; L187-F218 HydrophobicContact CG-CE1 3.94Å; L187-N225 HydrophobicContact CD1-CB 3.97Å; L187-V226 HydrophobicContact CD2-CG2 3.75Å; L187-L229 HydrophobicContact CB-CD1 4.1Å; L187-L229 HydrophobicContact CD1-CD1 4.32Å; L187-L229 HydrophobicContact CD2-CD1 4.48Å; L187-I237 HydrophobicContact CB-CG2 4.41Å; L187-I238 PolarHBondContact N-O 2.86Å; L187-G239 CarbonylContact O-C 3.55Å; L187-G239 WeakPolarHBondContact O-CA 3.28Å; L187-Q240 PolarHBondContact O-N 3.5Å; L187-F241 HydrophobicContact CD2-CE1 4.21Å; L187-V249 HydrophobicContact CD2-CG1 3.81Å; L187-V249 HydrophobicContact CD2-CG2 4.36Å; L187-W265 HydrophobicContact CD2-CH2 4.45Å; L187-W265 HydrophobicContact CD2-CZ3 4.24Å
188	T	96.8	Very high	94.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.5	-171	-61.5	0	0	0	0	111.9	F194 R198 E216 S217 F218 Q240	T188-F194 HydrophobicContact CG2-CB 3.79Å; T188-R198 HydrophobicContact CG2-CB 4.27Å; T188-R198 WeakPolarHBondContact OG1-CD 3.5Å; T188-E216 PolarHBondContact N-O 2.7Å; T188-S217 WeakPolarHBondContact O-CA 3.22Å; T188-S217 VanDerWaalsContact O-CB 3.31Å; T188-S217 WeakPolarHBondContact O-CB 3.27Å; T188-F218 PolarHBondContact O-N 2.93Å; T188-F218 VanDerWaalsContact O-N 3.11Å; T188-Q240 CarbonylContact C-O 3.59Å; T188-Q240 WeakPolarHBondContact CA-O 3.48Å; T188-Q240 HydrophobicContact CG2-CB 4.2Å; T188-Q240 PolarHBondContact OG1-OE1 2.8Å
189	Q	95.8	Very high	94	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.3	171.7	179.1	-176.2	-2.4	0	0	110.7	V191 F194 F218 Q240 F241 D242 L245	Q189-V191 HydrophobicContact CG-CG2 4.03Å; Q189-V191 PolarHBondContact O-N 2.77Å; Q189-F194 HydrophobicContact CB-CD2 3.98Å; Q189-F194 HydrophobicContact CB-CE2 4.43Å; Q189-F194 HydrophobicContact CG-CD2 4.48Å; Q189-F218 CarbonylContact C-O 3.58Å; Q189-F218 VanDerWaalsContact CA-O 3.26Å; Q189-F218 WeakPolarHBondContact CA-O 3.24Å; Q189-F218 HydrophobicContact CB-CE1 4.38Å; Q189-F218 HydrophobicContact CB-CZ 4.37Å; Q189-Q240 PolarHBondContact N-O 3.19Å; Q189-F241 HydrophobicContact CB-CB 3.95Å; Q189-D242 PolarHBondContact NE2-OD2 2.66Å; Q189-D242 PolarHBondContact OE1-OD2 3Å; Q189-L245 VanDerWaalsContact CD-CD1 3.46Å; Q189-L245 HydrophobicContact CG-CD1 3.87Å
190	D	93.4	Very high	94.1	Very high	71 Å²	71	43.3 Å²	43.3	38%	0.38	22%	0.219	S	C	.	.	S	Bend	trans	-71.7	57.6	-178.2	-60.9	-44.8	0	0	0	113.7	S217 F218 S219	D190-S217 WeakPolarHBondContact OD1-CB 3.38Å; D190-S217 PolarHBondContact OD1-OG 3.21Å; D190-F218 PolarHBondContact N-O 3.37Å; D190-S219 PolarHBondContact OD2-N 3.44Å; D190-S219 PolarHBondContact OD2-OG 2.97Å
191	V	90.4	Very high	94.2	Very high	64 Å²	64	36.6 Å²	36.6	39%	0.388	18%	0.183	S	C	.	.	S	Bend	trans	-123.4	137	175.5	173	0	0	0	0	108.6	Q189 R193 F194 S195	Q189-V191 HydrophobicContact CG-CG2 4.03Å; Q189-V191 PolarHBondContact O-N 2.77Å; V191-R193 VanDerWaalsContact C-N 3.25Å; V191-R193 HydrophobicContact CG1-CB 4.3Å; V191-R193 PolarHBondContact O-N 3.31Å; V191-R193 VanDerWaalsContact O-N 3.12Å; V191-F194 HydrophobicContact CB-CD2 3.99Å; V191-F194 PolarHBondContact O-N 2.93Å; V191-S195 PolarHBondContact O-N 3.24Å; V191-S195 PolarHBondContact O-OG 2.81Å
192	Q	87.3	Confident	94.1	Very high	131 Å²	131	37.8 Å²	37.8	61%	0.612	19%	0.192	S	C	*	.	H	α-helix	trans	-49	-45.8	-175.6	-173.3	179.5	7.8	0	0	112.7	F194 S195 E196	Q192-F194 VanDerWaalsContact C-N 3.32Å; Q192-F194 PolarHBondContact O-N 3.08Å; Q192-S195 PolarHBondContact O-N 3.47Å; Q192-E196 WeakPolarHBondContact O-CG 3.37Å; Q192-E196 PolarHBondContact O-N 2.87Å
193	R	87.3	Confident	94.1	Very high	81 Å²	81	42.2 Å²	42.2	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-51.1	-47.6	178.1	-176	-178.6	179.5	-165.7	-5.4	112.8	T145 D165 V191 V197	T145-R193 PolarHBondContact OG1-NH2 3.3Å; T145-R193 VanDerWaalsContact OG1-NH2 3.16Å; D165-R193 VanDerWaalsContact CG-NH2 3.3Å; D165-R193 IonicContact OD1-CZ 2.79Å; D165-R193 IonicContact OD1-NH2 3.81Å; D165-R193 PolarHBondContact OD1-NH2 3.4Å; D165-R193 IonicContact OD2-CZ 2.89Å; D165-R193 VanDerWaalsContact OD2-CZ 3.25Å; D165-R193 IonicContact OD2-NE 2.71Å; D165-R193 PolarHBondContact OD2-NE 2.97Å; D165-R193 IonicContact OD2-NH2 3.16Å; D165-R193 PolarHBondContact OD2-NH2 2.89Å; V191-R193 VanDerWaalsContact C-N 3.25Å; V191-R193 HydrophobicContact CG1-CB 4.3Å; V191-R193 PolarHBondContact O-N 3.31Å; V191-R193 VanDerWaalsContact O-N 3.12Å; R193-V197 WeakPolarHBondContact O-CG2 3.39Å
194	F	91.9	Very high	94.1	Very high	15 Å²	15	41.6 Å²	41.6	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-79.6	-34.1	-178.7	-57.4	-52.4	0	0	0	112.1	T188 Q189 V191 Q192 E196 V197 R198 Q240 W270	T188-F194 HydrophobicContact CG2-CB 3.79Å; Q189-F194 HydrophobicContact CB-CD2 3.98Å; Q189-F194 HydrophobicContact CB-CE2 4.43Å; Q189-F194 HydrophobicContact CG-CD2 4.48Å; V191-F194 HydrophobicContact CB-CD2 3.99Å; V191-F194 PolarHBondContact O-N 2.93Å; Q192-F194 VanDerWaalsContact C-N 3.32Å; Q192-F194 PolarHBondContact O-N 3.08Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.33Å; F194-V197 PolarHBondContact O-N 3.06Å; F194-R198 PolarHBondContact O-N 3.07Å; F194-Q240 HydrophobicContact CB-CB 4.23Å; F194-Q240 HydrophobicContact CD1-CB 4.41Å; F194-Q240 HydrophobicContact CG-CB 4.49Å; F194-Q240 PolarHBondContact O-OE1 2.94Å; F194-W270 AromaticContact CE1-CZ2 3.91Å; F194-W270 HydrophobicContact CE1-CZ2 3.91Å; F194-W270 HydrophobicContact CZ-CH2 4.27Å; F194-W270 AromaticContact CZ-CZ2 3.91Å; F194-W270 HydrophobicContact CZ-CZ2 3.91Å
195	S	92	Very high	94.1	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-41.1	174.9	-69.7	0	0	0	0	113	V191 Q192 R198 N199	V191-S195 PolarHBondContact O-N 3.24Å; V191-S195 PolarHBondContact O-OG 2.81Å; Q192-S195 PolarHBondContact O-N 3.47Å; S195-R198 PolarHBondContact O-N 3.4Å; S195-N199 PolarHBondContact O-N 3.36Å; S195-N199 PolarHBondContact O-ND2 2.95Å; S195-N199 PolarHBondContact O-OD1 3.11Å
196	E	91.6	Very high	94	Very high	70 Å²	70	48 Å²	48	33%	0.327	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-43.4	175.5	-61.7	-49.4	154.1	0	0	112.1	P147 V148 Q192 F194 R198 N199 D200	P147-E196 HydrophobicContact CB-CB 4.25Å; P147-E196 HydrophobicContact CG-CB 3.48Å; P147-E196 VanDerWaalsContact CG-CB 3.48Å; P147-E196 HydrophobicContact CG-CG 4.19Å; V148-E196 HydrophobicContact CG2-CG 4.08Å; Q192-E196 WeakPolarHBondContact O-CG 3.37Å; Q192-E196 PolarHBondContact O-N 2.87Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.33Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 2.75Å; E196-N199 PolarHBondContact O-N 3.33Å; E196-D200 PolarHBondContact O-N 3.04Å
197	V	93.6	Very high	93.9	Very high	12 Å²	12	54 Å²	54	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-36.7	177.6	-173.6	0	0	0	0	111	P147 D165 N169 R193 F194 L201	P147-V197 HydrophobicContact CG-CG2 4.16Å; D165-V197 HydrophobicContact CB-CG2 3.66Å; N169-V197 PolarHBondContact ND2-O 3.47Å; R193-V197 WeakPolarHBondContact O-CG2 3.39Å; F194-V197 PolarHBondContact O-N 3.06Å; V197-L201 VanDerWaalsContact O-CB 3.23Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 3.41Å
198	R	94.7	Very high	93.8	Very high	48 Å²	48	55.3 Å²	55.3	18%	0.181	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-43.6	172.6	-170.4	-174.1	43.4	52.9	10.9	111.8	T188 F194 S195 E196 L201 T202	T188-R198 HydrophobicContact CG2-CB 4.27Å; T188-R198 WeakPolarHBondContact OG1-CD 3.5Å; F194-R198 PolarHBondContact O-N 3.07Å; S195-R198 PolarHBondContact O-N 3.4Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 2.75Å; R198-L201 PolarHBondContact O-N 3Å; R198-T202 PolarHBondContact O-N 2.8Å; R198-T202 PolarHBondContact O-OG1 3.14Å
199	N	94.1	Very high	93.7	Very high	78 Å²	78	62.4 Å²	62.4	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-179.5	-65.8	-20.5	0	0	0	111.2	S195 E196 T202 Y203	S195-N199 PolarHBondContact O-N 3.36Å; S195-N199 PolarHBondContact O-ND2 2.95Å; S195-N199 PolarHBondContact O-OD1 3.11Å; E196-N199 PolarHBondContact O-N 3.33Å; N199-T202 PolarHBondContact O-N 3.41Å; N199-Y203 PolarHBondContact O-N 2.9Å
200	D	94.9	Very high	93.8	Very high	48 Å²	48	62 Å²	62	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-42	174.1	-176.6	89.2	0	0	0	112.1	N166 N169 E196 T202 Y203 E204	N166-D200 WeakPolarHBondContact ND2-CB 2.9Å; N166-D200 PolarHBondContact ND2-OD1 3.42Å; N169-D200 PolarHBondContact ND2-OD2 3.28Å; E196-D200 PolarHBondContact O-N 3.04Å; D200-T202 VanDerWaalsContact C-N 3.32Å; D200-T202 PolarHBondContact O-N 2.97Å; D200-Y203 PolarHBondContact O-N 3.39Å; D200-E204 PolarHBondContact O-N 3.2Å
201	L	96.1	Very high	93.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-39.8	175.4	178.1	62.9	0	0	0	112.1	N169 T186 V197 R198 Y203 E204 L205 I238	N169-L201 HydrophobicContact CB-CD1 4.29Å; N169-L201 PolarHBondContact ND2-N 3.06Å; T186-L201 HydrophobicContact CG2-CD2 4.13Å; V197-L201 VanDerWaalsContact O-CB 3.23Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 3.41Å; R198-L201 PolarHBondContact O-N 3Å; L201-Y203 VanDerWaalsContact C-N 3.34Å; L201-Y203 PolarHBondContact O-N 2.86Å; L201-E204 PolarHBondContact O-N 3.1Å; L201-L205 HydrophobicContact CD1-CD1 3.95Å; L201-L205 HydrophobicContact CD1-CG 3.97Å; L201-L205 HydrophobicContact CD2-CD1 4.39Å; L201-L205 HydrophobicContact CG-CD1 3.74Å; L201-L205 HydrophobicContact CG-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å; L201-L205 PolarHBondContact O-N 3.34Å; L201-I238 HydrophobicContact CD1-CD1 4.49Å; L201-I238 HydrophobicContact CD2-CB 4.44Å; L201-I238 HydrophobicContact CD2-CD1 4.12Å; L201-I238 HydrophobicContact CD2-CG2 3.83Å
202	T	95.7	Very high	94.1	Very high	35 Å²	35	63.2 Å²	63.2	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-46.8	176	-58	0	0	0	0	111.1	R198 N199 D200 L205 E206 I212	R198-T202 PolarHBondContact O-N 2.8Å; R198-T202 PolarHBondContact O-OG1 3.14Å; N199-T202 PolarHBondContact O-N 3.41Å; D200-T202 VanDerWaalsContact C-N 3.32Å; D200-T202 PolarHBondContact O-N 2.97Å; T202-L205 PolarHBondContact O-N 3.06Å; T202-E206 WeakPolarHBondContact O-CG 3.04Å; T202-E206 PolarHBondContact O-N 3.19Å; T202-I212 HydrophobicContact CG2-CD1 3.94Å
203	Y	95.4	Very high	94.5	Very high	142 Å²	142	58.3 Å²	58.3	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-63.5	-44.3	178.2	173.1	-101	0	0	0	112.9	N199 D200 L201 K207	N199-Y203 PolarHBondContact O-N 2.9Å; D200-Y203 PolarHBondContact O-N 3.39Å; L201-Y203 VanDerWaalsContact C-N 3.34Å; L201-Y203 PolarHBondContact O-N 2.86Å; Y203-K207 HydrophobicContact CE1-CD 4.31Å; Y203-K207 VanDerWaalsContact O-CB 3.27Å; Y203-K207 WeakPolarHBondContact O-CB 3.49Å; Y203-K207 PolarHBondContact O-N 3.46Å; Y203-K207 VanDerWaalsContact O-N 3.08Å
204	E	95.9	Very high	94.9	Very high	31 Å²	31	55.7 Å²	55.7	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-29.2	178.4	-72.5	-65.9	137.2	0	0	113.2	I173 D200 L201 K207 A208	I173-E204 HydrophobicContact CD1-CB 4.47Å; I173-E204 HydrophobicContact CG1-CB 4.08Å; D200-E204 PolarHBondContact O-N 3.2Å; L201-E204 PolarHBondContact O-N 3.1Å; E204-K207 IonicContact OE1-NZ 3.21Å; E204-K207 PolarHBondContact OE1-NZ 3.42Å; E204-K207 IonicContact OE2-NZ 3.82Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å; E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 2.96Å
205	L	96.4	Very high	95.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-47.1	172	-76.6	167.3	0	0	0	111.9	I173 L176 V184 L201 T202 K207 A208 N209 I210 I212	I173-L205 HydrophobicContact CD1-CB 4.33Å; I173-L205 HydrophobicContact CD1-CD2 3.4Å; I173-L205 HydrophobicContact CD1-CG 3.71Å; L176-L205 HydrophobicContact CD1-CD2 3.8Å; V184-L205 HydrophobicContact CG2-CD1 3.99Å; V184-L205 HydrophobicContact CG2-CD2 4.01Å; L201-L205 HydrophobicContact CD1-CD1 3.95Å; L201-L205 HydrophobicContact CD1-CG 3.97Å; L201-L205 HydrophobicContact CD2-CD1 4.39Å; L201-L205 HydrophobicContact CG-CD1 3.74Å; L201-L205 HydrophobicContact CG-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å; L201-L205 PolarHBondContact O-N 3.34Å; T202-L205 PolarHBondContact O-N 3.06Å; L205-K207 PolarHBondContact O-N 3.07Å; L205-A208 CarbonylContact O-C 3.5Å; L205-A208 PolarHBondContact O-N 3.25Å; L205-A208 VanDerWaalsContact O-N 3.11Å; L205-N209 PolarHBondContact O-N 2.93Å; L205-I210 HydrophobicContact CD2-CB 3.74Å; L205-I210 HydrophobicContact CD2-CD1 4.2Å; L205-I210 HydrophobicContact CD2-CG2 3.61Å; L205-I210 PolarHBondContact O-N 3.06Å; L205-I212 HydrophobicContact CD1-CD1 3.83Å; L205-I212 HydrophobicContact CD1-CG1 3.72Å
206	E	95.1	Very high	95.3	Very high	134 Å²	134	57.7 Å²	57.7	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-59.2	-47.5	176.6	-75.2	179.5	-179.1	0	0	111.4	T202 A208 N209	T202-E206 WeakPolarHBondContact O-CG 3.04Å; T202-E206 PolarHBondContact O-N 3.19Å; E206-A208 PolarHBondContact O-N 3.11Å; E206-N209 PolarHBondContact O-N 3.15Å
207	K	96	Very high	95.5	Very high	128 Å²	128	56.9 Å²	56.9	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-58.4	-26.6	175.3	176.7	-178.3	162.4	-146.2	0	113.4	Y203 E204 L205	Y203-K207 HydrophobicContact CE1-CD 4.31Å; Y203-K207 VanDerWaalsContact O-CB 3.27Å; Y203-K207 WeakPolarHBondContact O-CB 3.49Å; Y203-K207 PolarHBondContact O-N 3.46Å; Y203-K207 VanDerWaalsContact O-N 3.08Å; E204-K207 IonicContact OE1-NZ 3.21Å; E204-K207 PolarHBondContact OE1-NZ 3.42Å; E204-K207 IonicContact OE2-NZ 3.82Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å; L205-K207 PolarHBondContact O-N 3.07Å
208	A	95.4	Very high	95.6	Very high	27 Å²	27	56.5 Å²	56.5	22%	0.223	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.5	176.4	0	0	0	0	0	114.4	I173 E204 L205 E206 I210	I173-A208 HydrophobicContact CD1-CB 4.48Å; I173-A208 HydrophobicContact CG2-CB 3.54Å; E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 2.96Å; L205-A208 CarbonylContact O-C 3.5Å; L205-A208 PolarHBondContact O-N 3.25Å; L205-A208 VanDerWaalsContact O-N 3.11Å; E206-A208 PolarHBondContact O-N 3.11Å; A208-I210 VanDerWaalsContact C-N 3.26Å; A208-I210 HydrophobicContact CB-CD1 4.08Å; A208-I210 HydrophobicContact CB-CG1 4.03Å; A208-I210 PolarHBondContact O-N 3.13Å
209	N	95.6	Very high	95.5	Very high	150 Å²	150	57.5 Å²	57.5	80%	0.802	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	30	-170.3	-58.6	-66.8	0	0	0	114.3	L205 E206	L205-N209 PolarHBondContact O-N 2.93Å; E206-N209 PolarHBondContact O-N 3.15Å
210	I	96.9	Very high	95.1	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.036	31%	0.314	C	S	.	.			trans	-97.3	122.7	175.6	-57.3	178	0	0	0	108.7	I173 L176 V184 L205 A208	I173-I210 HydrophobicContact CD1-CD1 4.34Å; L176-I210 HydrophobicContact CB-CD1 3.83Å; L176-I210 HydrophobicContact CD1-CD1 3.81Å; L176-I210 HydrophobicContact CD1-CG2 4.36Å; L176-I210 HydrophobicContact CG-CD1 4.5Å; V184-I210 HydrophobicContact CG1-CG2 4.12Å; V184-I210 HydrophobicContact CG2-CG2 4.17Å; L205-I210 HydrophobicContact CD2-CB 3.74Å; L205-I210 HydrophobicContact CD2-CD1 4.2Å; L205-I210 HydrophobicContact CD2-CG2 3.61Å; L205-I210 PolarHBondContact O-N 3.06Å; A208-I210 VanDerWaalsContact C-N 3.26Å; A208-I210 HydrophobicContact CB-CD1 4.08Å; A208-I210 HydrophobicContact CB-CG1 4.03Å; A208-I210 PolarHBondContact O-N 3.13Å
211	H	94.9	Very high	94.9	Very high	126 Å²	126	62 Å²	62	58%	0.583	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.2	-174.8	-177	-71.4	0	0	0	111.9	S182 R183 V184 A213	S182-H211 PolarHBondContact O-N 2.64Å; R183-H211 WeakPolarHBondContact CA-O 3.44Å; V184-H211 PolarHBondContact N-O 2.99Å; V184-H211 VanDerWaalsContact N-O 3.13Å; H211-A213 PolarHBondContact O-N 3.34Å
212	I	95.9	Very high	94.8	Very high	36 Å²	36	62 Å²	62	19%	0.185	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.9	171.3	-56.7	170.9	0	0	0	109	V184 T202 L205 D214 T215	V184-I212 HydrophobicContact CG2-CG1 4.46Å; V184-I212 CarbonylContact O-C 3.55Å; V184-I212 WeakPolarHBondContact O-CA 3.32Å; T202-I212 HydrophobicContact CG2-CD1 3.94Å; L205-I212 HydrophobicContact CD1-CD1 3.83Å; L205-I212 HydrophobicContact CD1-CG1 3.72Å; I212-D214 WeakPolarHBondContact CG2-O 3.35Å; I212-T215 VanDerWaalsContact CG2-OG1 3.3Å; I212-T215 WeakPolarHBondContact CG2-OG1 3.46Å
213	A	94.4	Very high	94.7	Very high	27 Å²	27	62.5 Å²	62.5	22%	0.223	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-41.3	178.6	0	0	0	0	0	113	R183 V184 H211 V234	R183-A213 HydrophobicContact CG-CB 3.74Å; V184-A213 WeakPolarHBondContact O-CB 3.35Å; V184-A213 PolarHBondContact O-N 3.26Å; H211-A213 PolarHBondContact O-N 3.34Å; A213-V234 HydrophobicContact CB-CG2 4.02Å
214	D	96.1	Very high	94.7	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	147	-176.1	-161.4	7.6	0	0	0	109.9	G185 T186 I212 L229 N232 V234	G185-D214 VanDerWaalsContact CA-O 3.27Å; G185-D214 WeakPolarHBondContact CA-O 3.31Å; T186-D214 PolarHBondContact N-O 2.96Å; T186-D214 VanDerWaalsContact N-O 3.08Å; I212-D214 WeakPolarHBondContact CG2-O 3.35Å; D214-L229 HydrophobicContact CB-CD2 3.85Å; D214-N232 PolarHBondContact OD2-ND2 3.24Å; D214-V234 HydrophobicContact CB-CG2 4.01Å
215	T	95.9	Very high	94.7	Very high	64 Å²	64	59.6 Å²	59.6	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111	-179.1	-66.8	0	0	0	0	108.7	T186 I212	T186-T215 WeakPolarHBondContact OG1-CG2 3.33Å; T186-T215 PolarHBondContact OG1-OG1 3.31Å; I212-T215 VanDerWaalsContact CG2-OG1 3.3Å; I212-T215 WeakPolarHBondContact CG2-OG1 3.46Å
216	E	96.4	Very high	94.7	Very high	21 Å²	21	59.6 Å²	59.6	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.8	-177.4	-76.2	-67.4	144.3	0	0	110.9	T186 L187 T188 N225 K228 L229	T186-E216 PolarHBondContact O-N 3.31Å; L187-E216 WeakPolarHBondContact CA-O 3.4Å; L187-E216 HydrophobicContact CD1-CB 4.13Å; T188-E216 PolarHBondContact N-O 2.7Å; E216-N225 HydrophobicContact CB-CB 4.04Å; E216-N225 PolarHBondContact OE2-ND2 2.69Å; E216-K228 HydrophobicContact CG-CB 4.45Å; E216-K228 HydrophobicContact CG-CD 4.21Å; E216-K228 WeakPolarHBondContact OE1-CD 3.27Å; E216-K228 WeakPolarHBondContact OE1-CE 3.41Å; E216-K228 IonicContact OE1-NZ 3.63Å; E216-K228 PolarHBondContact OE1-NZ 2.75Å; E216-K228 VanDerWaalsContact OE2-CD 3.32Å; E216-K228 WeakPolarHBondContact OE2-CD 3.46Å; E216-K228 IonicContact OE2-NZ 3.53Å; E216-K228 PolarHBondContact OE2-NZ 3.32Å; E216-L229 HydrophobicContact CB-CD2 4.35Å; E216-L229 HydrophobicContact CG-CD2 4.06Å; E216-L229 HydrophobicContact CG-CG 4.31Å
217	S	95.6	Very high	94.8	Very high	53 Å²	53	58.5 Å²	58.5	37%	0.371	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.3	173.9	83.4	0	0	0	0	112.6	T188 D190 N225	T188-S217 WeakPolarHBondContact O-CA 3.22Å; T188-S217 VanDerWaalsContact O-CB 3.31Å; T188-S217 WeakPolarHBondContact O-CB 3.27Å; D190-S217 WeakPolarHBondContact OD1-CB 3.38Å; D190-S217 PolarHBondContact OD1-OG 3.21Å; S217-N225 PolarHBondContact O-ND2 3.25Å
218	F	95.4	Very high	94.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.8	-173.3	74.2	-77	0	0	0	111.8	L187 T188 Q189 D190 P222 N225 F241 L245 V249	L187-F218 HydrophobicContact CD1-CD1 3.8Å; L187-F218 HydrophobicContact CD1-CE1 4.09Å; L187-F218 HydrophobicContact CD2-CE1 4.45Å; L187-F218 HydrophobicContact CG-CD1 4.18Å; L187-F218 HydrophobicContact CG-CE1 3.94Å; T188-F218 PolarHBondContact O-N 2.93Å; T188-F218 VanDerWaalsContact O-N 3.11Å; Q189-F218 CarbonylContact C-O 3.58Å; Q189-F218 VanDerWaalsContact CA-O 3.26Å; Q189-F218 WeakPolarHBondContact CA-O 3.24Å; Q189-F218 HydrophobicContact CB-CE1 4.38Å; Q189-F218 HydrophobicContact CB-CZ 4.37Å; D190-F218 PolarHBondContact N-O 3.37Å; F218-P222 HydrophobicContact CD1-CB 4.45Å; F218-P222 HydrophobicContact CD2-CB 3.72Å; F218-P222 HydrophobicContact CD2-CG 4.4Å; F218-P222 HydrophobicContact CE1-CB 4.46Å; F218-P222 HydrophobicContact CE2-CB 3.71Å; F218-P222 HydrophobicContact CE2-CG 4.17Å; F218-P222 HydrophobicContact CG-CB 4.1Å; F218-P222 HydrophobicContact CZ-CB 4.11Å; F218-N225 WeakPolarHBondContact CB-OD1 3.47Å; F218-F241 HydrophobicContact CE1-CB 4.32Å; F218-F241 HydrophobicContact CE1-CD1 4.12Å; F218-F241 HydrophobicContact CZ-CB 3.87Å; F218-F241 HydrophobicContact CZ-CD1 4.16Å; F218-F241 HydrophobicContact CZ-CG 4.23Å; F218-L245 HydrophobicContact CE2-CB 4.09Å; F218-L245 HydrophobicContact CE2-CD1 3.73Å; F218-L245 HydrophobicContact CE2-CG 4.4Å; F218-L245 HydrophobicContact CZ-CB 4.35Å; F218-L245 HydrophobicContact CZ-CD1 4.36Å; F218-V249 HydrophobicContact CE1-CG2 4.43Å; F218-V249 HydrophobicContact CE2-CG2 4.33Å; F218-V249 HydrophobicContact CZ-CG2 3.78Å
219	S	92.4	Very high	94.8	Very high	69 Å²	69	55.4 Å²	55.4	48%	0.483	30%	0.303	S	S	.	.	S	Bend	trans	-100.2	-44.4	179.4	-19.7	0	0	0	0	112.5	D190	D190-S219 PolarHBondContact OD2-N 3.44Å; D190-S219 PolarHBondContact OD2-OG 2.97Å
220	N	87.5	Confident	94.8	Very high	126 Å²	126	51.8 Å²	51.8	67%	0.674	28%	0.28	S	S	*	.	S	Bend	trans	-132.9	-43.7	-171.4	-78.3	-30.4	0	0	0	115.3
221	D	90.4	Very high	94.6	Very high	94 Å²	94	56.7 Å²	56.7	50%	0.503	31%	0.306	S	S	.	.			trans	-115.2	112.4	179.3	178.3	15.9	0	0	0	110.1	C223	D221-C223 WeakPolarHBondContact OD1-CB 3.14Å; D221-C223 PolarHBondContact OD1-N 3.05Å
222	P	93.6	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.299	C	S	.	.			trans	-82.2	-12.8	178.8	31.2	-32.9	0	0	0	114	F218 V224 N225 V226 K248 V249	F218-P222 HydrophobicContact CD1-CB 4.45Å; F218-P222 HydrophobicContact CD2-CB 3.72Å; F218-P222 HydrophobicContact CD2-CG 4.4Å; F218-P222 HydrophobicContact CE1-CB 4.46Å; F218-P222 HydrophobicContact CE2-CB 3.71Å; F218-P222 HydrophobicContact CE2-CG 4.17Å; F218-P222 HydrophobicContact CG-CB 4.1Å; F218-P222 HydrophobicContact CZ-CB 4.11Å; P222-V224 VanDerWaalsContact C-N 3.32Å; P222-V224 PolarHBondContact O-N 3.38Å; P222-N225 PolarHBondContact O-N 2.85Å; P222-N225 VanDerWaalsContact O-N 3.16Å; P222-V226 HydrophobicContact CB-CG2 4.22Å; P222-V226 VanDerWaalsContact O-CG2 3.31Å; P222-V226 WeakPolarHBondContact O-CG2 3.31Å; P222-V226 PolarHBondContact O-N 3.27Å; P222-K248 HydrophobicContact CG-CB 3.98Å; P222-V249 HydrophobicContact CB-CG2 3.66Å; P222-V249 HydrophobicContact CG-CB 4.41Å; P222-V249 HydrophobicContact CG-CG2 3.74Å
223	C	93.6	Very high	94.3	Very high	47 Å²	47	54.7 Å²	54.7	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-36.2	-166.7	-98	0	0	0	0	113.6	D221 K227 C252	D221-C223 WeakPolarHBondContact OD1-CB 3.14Å; D221-C223 PolarHBondContact OD1-N 3.05Å; C223-K227 WeakPolarHBondContact O-CB 3.07Å; C223-K227 PolarHBondContact O-N 2.95Å; C223-C252 WeakPolarHBondContact CA-SG 3.39Å; C223-C252 HydrophobicContact CB-CB 4.04Å; C223-C252 WeakPolarHBondContact CB-SG 3.41Å; C223-C252 WeakPolarHBondContact SG-CB 3.3Å; C223-C252 CovalentContact SG-SG 2.04Å; C223-C252 PolarHBondContact SG-SG 2.96Å
224	V	95.6	Very high	94.3	Very high	92 Å²	92	53.5 Å²	53.5	56%	0.558	29%	0.29	S	S	*	.	H	α-helix	trans	-67.9	-44.1	177.8	-177.9	0	0	0	0	111.1	P222 K227 K228	P222-V224 VanDerWaalsContact C-N 3.32Å; P222-V224 PolarHBondContact O-N 3.38Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 3.06Å; V224-K228 PolarHBondContact O-N 3.49Å; V224-K228 VanDerWaalsContact O-N 3.14Å
225	N	96.2	Very high	94.2	Very high	20 Å²	20	52.7 Å²	52.7	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-47.6	179.4	-59.1	91.5	0	0	0	111.7	L187 E216 S217 F218 P222 K227 K228 L229	L187-N225 HydrophobicContact CD1-CB 3.97Å; E216-N225 HydrophobicContact CB-CB 4.04Å; E216-N225 PolarHBondContact OE2-ND2 2.69Å; S217-N225 PolarHBondContact O-ND2 3.25Å; F218-N225 WeakPolarHBondContact CB-OD1 3.47Å; P222-N225 PolarHBondContact O-N 2.85Å; P222-N225 VanDerWaalsContact O-N 3.16Å; N225-K227 PolarHBondContact O-N 3.24Å; N225-K228 PolarHBondContact O-N 3.06Å; N225-K228 VanDerWaalsContact O-N 3.1Å; N225-L229 PolarHBondContact O-N 2.7Å; N225-L229 VanDerWaalsContact O-N 3.14Å
226	V	96.3	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-36.9	175.1	176.4	0	0	0	0	110.9	L187 P222 L229 K230 V249 C252 A253 L256 M258	L187-V226 HydrophobicContact CD2-CG2 3.75Å; P222-V226 HydrophobicContact CB-CG2 4.22Å; P222-V226 VanDerWaalsContact O-CG2 3.31Å; P222-V226 WeakPolarHBondContact O-CG2 3.31Å; P222-V226 PolarHBondContact O-N 3.27Å; V226-L229 PolarHBondContact O-N 3.23Å; V226-K230 PolarHBondContact O-N 3.19Å; V226-K230 VanDerWaalsContact O-N 3.16Å; V226-V249 HydrophobicContact CG2-CG1 4.27Å; V226-C252 HydrophobicContact CB-CB 4.47Å; V226-C252 HydrophobicContact CG1-CB 4.49Å; V226-A253 HydrophobicContact CG1-CB 4.5Å; V226-L256 HydrophobicContact CB-CD1 4.22Å; V226-L256 HydrophobicContact CG1-CD1 3.75Å; V226-M258 HydrophobicContact CG1-CE 4.4Å; V226-M258 HydrophobicContact CG1-SD 3.43Å; V226-M258 WeakPolarHBondContact CG1-SD 3.24Å; V226-M258 VanDerWaalsContact O-SD 3.34Å
227	K	96.2	Very high	94.3	Very high	110 Å²	110	48.6 Å²	48.6	48%	0.478	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-43.6	173.9	-172.9	-172	169.7	-168.5	0	112.5	C223 V224 N225 L229 K230 D231 L256	C223-K227 WeakPolarHBondContact O-CB 3.07Å; C223-K227 PolarHBondContact O-N 2.95Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 3.06Å; N225-K227 PolarHBondContact O-N 3.24Å; K227-L229 PolarHBondContact O-N 3.48Å; K227-K230 VanDerWaalsContact O-CB 3.31Å; K227-K230 WeakPolarHBondContact O-CB 3.44Å; K227-K230 PolarHBondContact O-N 2.67Å; K227-K230 VanDerWaalsContact O-N 3.15Å; K227-D231 WeakPolarHBondContact CE-OD2 3.35Å; K227-D231 VanDerWaalsContact O-CG 3.3Å; K227-D231 PolarHBondContact O-N 3.44Å; K227-L256 HydrophobicContact CB-CD1 4.02Å; K227-L256 HydrophobicContact CB-CD2 4.41Å; K227-L256 HydrophobicContact CG-CD2 4.26Å
228	K	96.2	Very high	94.5	Very high	90 Å²	90	46.5 Å²	46.5	39%	0.391	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-42.9	176.7	-66.2	171.4	177.9	176.9	0	112.3	E216 V224 N225 K230 D231 N232	E216-K228 HydrophobicContact CG-CB 4.45Å; E216-K228 HydrophobicContact CG-CD 4.21Å; E216-K228 WeakPolarHBondContact OE1-CD 3.27Å; E216-K228 WeakPolarHBondContact OE1-CE 3.41Å; E216-K228 IonicContact OE1-NZ 3.63Å; E216-K228 PolarHBondContact OE1-NZ 2.75Å; E216-K228 VanDerWaalsContact OE2-CD 3.32Å; E216-K228 WeakPolarHBondContact OE2-CD 3.46Å; E216-K228 IonicContact OE2-NZ 3.53Å; E216-K228 PolarHBondContact OE2-NZ 3.32Å; V224-K228 PolarHBondContact O-N 3.49Å; V224-K228 VanDerWaalsContact O-N 3.14Å; N225-K228 PolarHBondContact O-N 3.06Å; N225-K228 VanDerWaalsContact O-N 3.1Å; K228-K230 PolarHBondContact O-N 2.67Å; K228-D231 PolarHBondContact O-N 3.01Å; K228-D231 VanDerWaalsContact O-N 3.08Å; K228-N232 WeakPolarHBondContact O-CB 3.34Å; K228-N232 PolarHBondContact O-N 3.04Å
229	L	96.4	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-39.5	174.9	-64.6	178.6	0	0	0	111.4	L187 D214 E216 N225 V226 K227 V234 I237 M258	L187-L229 HydrophobicContact CB-CD1 4.1Å; L187-L229 HydrophobicContact CD1-CD1 4.32Å; L187-L229 HydrophobicContact CD2-CD1 4.48Å; D214-L229 HydrophobicContact CB-CD2 3.85Å; E216-L229 HydrophobicContact CB-CD2 4.35Å; E216-L229 HydrophobicContact CG-CD2 4.06Å; E216-L229 HydrophobicContact CG-CG 4.31Å; N225-L229 PolarHBondContact O-N 2.7Å; N225-L229 VanDerWaalsContact O-N 3.14Å; V226-L229 PolarHBondContact O-N 3.23Å; K227-L229 PolarHBondContact O-N 3.48Å; L229-V234 HydrophobicContact CB-CB 4.2Å; L229-V234 HydrophobicContact CB-CG2 4.41Å; L229-V234 HydrophobicContact CD2-CG2 4.16Å; L229-V234 VanDerWaalsContact O-CB 3.25Å; L229-V234 WeakPolarHBondContact O-CB 3.38Å; L229-V234 WeakPolarHBondContact O-CG2 3.38Å; L229-V234 PolarHBondContact O-N 3.11Å; L229-I237 HydrophobicContact CD1-CG2 4.32Å; L229-M258 HydrophobicContact CB-CE 4.13Å
230	K	94.1	Very high	94.7	Very high	74 Å²	74	43.8 Å²	43.8	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-49.2	172.3	-172.2	-179.3	169.5	180	0	112.7	V226 K227 K228 N232 D233 L256 M258	V226-K230 PolarHBondContact O-N 3.19Å; V226-K230 VanDerWaalsContact O-N 3.16Å; K227-K230 VanDerWaalsContact O-CB 3.31Å; K227-K230 WeakPolarHBondContact O-CB 3.44Å; K227-K230 PolarHBondContact O-N 2.67Å; K227-K230 VanDerWaalsContact O-N 3.15Å; K228-K230 PolarHBondContact O-N 2.67Å; K230-N232 PolarHBondContact O-N 2.95Å; K230-D233 PolarHBondContact O-N 3.23Å; K230-L256 HydrophobicContact CD-CB 4.18Å; K230-L256 HydrophobicContact CD-CD2 4.49Å; K230-L256 WeakPolarHBondContact CD-O 3.27Å; K230-L256 WeakPolarHBondContact CE-O 3.44Å; K230-L256 PolarHBondContact NZ-O 3.07Å; K230-M258 HydrophobicContact CB-CE 4.13Å; K230-M258 HydrophobicContact CB-CG 4.21Å; K230-M258 HydrophobicContact CB-SD 3.67Å; K230-M258 HydrophobicContact CD-CG 4.21Å; K230-M258 HydrophobicContact CG-CG 4.25Å; K230-M258 HydrophobicContact CG-SD 4.35Å
231	D	93.4	Very high	95	Very high	110 Å²	110	37.8 Å²	37.8	59%	0.588	20%	0.195	S	C	*	.	H	α-helix	trans	-61.8	-25.3	-177.4	-66.3	-18.1	0	0	0	110.9	K227 K228	K227-D231 WeakPolarHBondContact CE-OD2 3.35Å; K227-D231 VanDerWaalsContact O-CG 3.3Å; K227-D231 PolarHBondContact O-N 3.44Å; K228-D231 PolarHBondContact O-N 3.01Å; K228-D231 VanDerWaalsContact O-N 3.08Å
232	N	92.8	Very high	95.1	Very high	80 Å²	80	35.3 Å²	35.3	43%	0.428	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	12.1	173.2	-73.2	-32.3	0	0	0	115.3	R183 D214 K228 K230 V234	R183-N232 PolarHBondContact NH2-O 3.01Å; D214-N232 PolarHBondContact OD2-ND2 3.24Å; K228-N232 WeakPolarHBondContact O-CB 3.34Å; K228-N232 PolarHBondContact O-N 3.04Å; K230-N232 PolarHBondContact O-N 2.95Å; N232-V234 VanDerWaalsContact C-N 3.27Å; N232-V234 HydrophobicContact CB-CG2 4.15Å; N232-V234 PolarHBondContact O-N 2.9Å
233	D	91.1	Very high	94.8	Very high	41 Å²	41	36.4 Å²	36.4	22%	0.219	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	41.1	-176.1	-172.2	40.1	0	0	0	113	R183 K230 R235 T452	R183-D233 PolarHBondContact NH1-O 2.9Å; K230-D233 PolarHBondContact O-N 3.23Å; D233-R235 WeakPolarHBondContact OD1-CD 3.47Å; D233-R235 IonicContact OD1-CZ 3.66Å; D233-R235 IonicContact OD1-NE 2.8Å; D233-R235 PolarHBondContact OD1-NE 2.79Å; D233-R235 IonicContact OD2-NE 2.82Å; D233-T452 WeakPolarHBondContact OD2-CB 3.47Å; D233-T452 WeakPolarHBondContact OD2-CG2 3.49Å; D233-T452 PolarHBondContact OD2-N 3.33Å; D233-T452 PolarHBondContact OD2-OG1 3.26Å
234	V	95.3	Very high	94.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.199	C	C	.	.			trans	-79.2	121.3	174.9	-178.7	0	0	0	0	109.7	A213 D214 L229 N232 I237 Y263	A213-V234 HydrophobicContact CB-CG2 4.02Å; D214-V234 HydrophobicContact CB-CG2 4.01Å; L229-V234 HydrophobicContact CB-CB 4.2Å; L229-V234 HydrophobicContact CB-CG2 4.41Å; L229-V234 HydrophobicContact CD2-CG2 4.16Å; L229-V234 VanDerWaalsContact O-CB 3.25Å; L229-V234 WeakPolarHBondContact O-CB 3.38Å; L229-V234 WeakPolarHBondContact O-CG2 3.38Å; L229-V234 PolarHBondContact O-N 3.11Å; N232-V234 VanDerWaalsContact C-N 3.27Å; N232-V234 HydrophobicContact CB-CG2 4.15Å; N232-V234 PolarHBondContact O-N 2.9Å; V234-I237 HydrophobicContact CG1-CG1 3.89Å; V234-Y263 WeakPolarHBondContact O-CE1 3.12Å
235	R	93.9	Very high	94.2	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.038	18%	0.175	C	C	.	.			trans	-110.6	-38.6	-173.2	-73.9	146.4	156.4	-83.4	-10.8	114	D233 Y263 Q264 K449 D622	D233-R235 WeakPolarHBondContact OD1-CD 3.47Å; D233-R235 IonicContact OD1-CZ 3.66Å; D233-R235 IonicContact OD1-NE 2.8Å; D233-R235 PolarHBondContact OD1-NE 2.79Å; D233-R235 IonicContact OD2-NE 2.82Å; R235-Y263 CarbonylContact O-C 3.58Å; R235-Y263 VanDerWaalsContact O-CA 3.3Å; R235-Y263 WeakPolarHBondContact O-CA 3.47Å; R235-Q264 PolarHBondContact O-N 3.32Å; R235-K449 WeakPolarHBondContact CD-O 3.35Å; R235-K449 PolarHBondContact NH1-O 3.36Å; R235-K449 VanDerWaalsContact NH1-O 3.15Å; R235-D622 IonicContact CZ-OD1 2.69Å; R235-D622 IonicContact CZ-OD2 3.24Å; R235-D622 IonicContact NH1-OD1 2.67Å; R235-D622 PolarHBondContact NH1-OD1 3.06Å; R235-D622 IonicContact NH1-OD2 2.67Å; R235-D622 PolarHBondContact NH1-OD2 3.07Å; R235-D622 IonicContact NH2-OD1 2.84Å; R235-D622 PolarHBondContact NH2-OD1 2.81Å; R235-D622 IonicContact NH2-OD2 3.71Å
236	I	97.5	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.2	173.9	-48	-57.2	0	0	0	107.6	L176 W181 V184 G185 Q264 P448 D450	L176-I236 HydrophobicContact CD2-CG2 3.89Å; W181-I236 HydrophobicContact CB-CG1 4.33Å; W181-I236 HydrophobicContact CD2-CD1 3.66Å; W181-I236 HydrophobicContact CD2-CG1 3.97Å; W181-I236 HydrophobicContact CE3-CD1 4Å; W181-I236 HydrophobicContact CE3-CG1 4.31Å; W181-I236 HydrophobicContact CE3-CG2 4.02Å; W181-I236 HydrophobicContact CG-CD1 4.08Å; W181-I236 HydrophobicContact CG-CG1 3.98Å; W181-I236 HydrophobicContact CH2-CD1 4.3Å; W181-I236 HydrophobicContact CZ2-CD1 3.96Å; W181-I236 HydrophobicContact CZ3-CD1 4.31Å; W181-I236 HydrophobicContact CZ3-CG2 4.48Å; V184-I236 CarbonylContact C-O 3.59Å; V184-I236 WeakPolarHBondContact CA-O 3.45Å; V184-I236 HydrophobicContact CG1-CB 4.12Å; V184-I236 HydrophobicContact CG1-CG2 3.9Å; G185-I236 PolarHBondContact N-O 2.87Å; I236-Q264 HydrophobicContact CD1-CB 3.77Å; I236-P448 HydrophobicContact CD1-CG 4.38Å; I236-D450 HydrophobicContact CG1-CB 4.22Å
237	I	98.1	Very high	93.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.6	-170.1	-55.5	165.5	0	0	0	109.6	G185 L187 L229 V234 M258 Y263 Q264 W265 I266	G185-I237 WeakPolarHBondContact O-CA 3.49Å; L187-I237 HydrophobicContact CB-CG2 4.41Å; L229-I237 HydrophobicContact CD1-CG2 4.32Å; V234-I237 HydrophobicContact CG1-CG1 3.89Å; I237-M258 HydrophobicContact CD1-CE 3.66Å; I237-Y263 HydrophobicContact CD1-CD1 4.48Å; I237-Q264 PolarHBondContact N-O 3.29Å; I237-W265 HydrophobicContact CB-CD2 4.28Å; I237-W265 HydrophobicContact CB-CE3 3.97Å; I237-W265 HydrophobicContact CB-CZ3 4.12Å; I237-W265 HydrophobicContact CD1-CD2 4.28Å; I237-W265 HydrophobicContact CD1-CE3 4.45Å; I237-W265 HydrophobicContact CD1-CH2 3.82Å; I237-W265 HydrophobicContact CD1-CZ2 3.59Å; I237-W265 HydrophobicContact CD1-CZ3 4.25Å; I237-W265 HydrophobicContact CG2-CD2 4.48Å; I237-W265 HydrophobicContact CG2-CE3 3.71Å; I237-W265 HydrophobicContact CG2-CH2 4Å; I237-W265 HydrophobicContact CG2-CZ3 3.45Å; I237-W265 VanDerWaalsContact CG2-CZ3 3.45Å; I237-I266 PolarHBondContact O-N 2.72Å
238	I	98	Very high	93.4	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.046	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.4	175.6	-54.1	171.2	0	0	0	108	V172 L176 V184 G185 T186 L187 L201	V172-I238 HydrophobicContact CG1-CD1 4.06Å; L176-I238 HydrophobicContact CD1-CD1 4.35Å; V184-I238 HydrophobicContact CB-CD1 4.31Å; V184-I238 HydrophobicContact CG1-CD1 4.49Å; V184-I238 HydrophobicContact CG2-CD1 4.24Å; G185-I238 PolarHBondContact O-N 2.8Å; T186-I238 WeakPolarHBondContact CA-O 3.31Å; L187-I238 PolarHBondContact N-O 2.86Å; L201-I238 HydrophobicContact CD1-CD1 4.49Å; L201-I238 HydrophobicContact CD2-CB 4.44Å; L201-I238 HydrophobicContact CD2-CD1 4.12Å; L201-I238 HydrophobicContact CD2-CG2 3.83Å
239	G	96.6	Very high	93.3	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.1	-178.8	0	0	0	0	0	112.7	L187 I266 P268	L187-G239 CarbonylContact O-C 3.55Å; L187-G239 WeakPolarHBondContact O-CA 3.28Å; G239-I266 PolarHBondContact N-O 2.74Å; G239-P268 WeakPolarHBondContact O-CD 3.37Å
240	Q	95.7	Very high	93.2	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	89.4	176.1	-66.6	172.5	-12.7	0	0	109.5	L187 T188 Q189 F194	L187-Q240 PolarHBondContact O-N 3.5Å; T188-Q240 CarbonylContact C-O 3.59Å; T188-Q240 WeakPolarHBondContact CA-O 3.48Å; T188-Q240 HydrophobicContact CG2-CB 4.2Å; T188-Q240 PolarHBondContact OG1-OE1 2.8Å; Q189-Q240 PolarHBondContact N-O 3.19Å; F194-Q240 HydrophobicContact CB-CB 4.23Å; F194-Q240 HydrophobicContact CD1-CB 4.41Å; F194-Q240 HydrophobicContact CG-CB 4.49Å; F194-Q240 PolarHBondContact O-OE1 2.94Å
241	F	94.5	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-150	170.9	-176.6	38.7	-102.2	0	0	0	110.3	L187 Q189 F218 A246 V249 I267 Y271	L187-F241 HydrophobicContact CD2-CE1 4.21Å; Q189-F241 HydrophobicContact CB-CB 3.95Å; F218-F241 HydrophobicContact CE1-CB 4.32Å; F218-F241 HydrophobicContact CE1-CD1 4.12Å; F218-F241 HydrophobicContact CZ-CB 3.87Å; F218-F241 HydrophobicContact CZ-CD1 4.16Å; F218-F241 HydrophobicContact CZ-CG 4.23Å; F241-A246 HydrophobicContact CD2-CB 3.75Å; F241-A246 HydrophobicContact CE2-CB 3.57Å; F241-V249 HydrophobicContact CD1-CG2 4.2Å; F241-V249 HydrophobicContact CE1-CB 4.48Å; F241-V249 HydrophobicContact CE1-CG1 4.08Å; F241-V249 HydrophobicContact CE1-CG2 4.1Å; F241-V249 HydrophobicContact CE2-CG2 4.44Å; F241-V249 HydrophobicContact CG-CG2 4.42Å; F241-V249 HydrophobicContact CZ-CB 4.22Å; F241-V249 HydrophobicContact CZ-CG1 3.95Å; F241-V249 HydrophobicContact CZ-CG2 4.22Å; F241-I267 HydrophobicContact CE2-CG2 4.44Å; F241-I267 HydrophobicContact CZ-CG2 3.95Å; F241-Y271 WeakPolarHBondContact CD2-OH 3.33Å; F241-Y271 PolarHBondContact O-OH 3.22Å
242	D	91.4	Very high	93	Very high	42 Å²	42	22.5 Å²	22.5	23%	0.225	11%	0.113	C	C	.	.			trans	-80	166.3	174.6	68.4	43.5	0	0	0	113.8	Q189 H244 L245 A246	Q189-D242 PolarHBondContact NE2-OD2 2.66Å; Q189-D242 PolarHBondContact OE1-OD2 3Å; D242-H244 VanDerWaalsContact C-N 3.28Å; D242-H244 PolarHBondContact O-N 3.16Å; D242-H244 PolarHBondContact OD1-N 3.11Å; D242-H244 VanDerWaalsContact OD1-N 3.11Å; D242-L245 PolarHBondContact O-N 3.12Å; D242-L245 WeakPolarHBondContact OD1-CB 3.3Å; D242-L245 WeakPolarHBondContact OD1-CG 3.34Å; D242-L245 PolarHBondContact OD1-N 2.95Å; D242-A246 WeakPolarHBondContact O-CB 3.41Å; D242-A246 PolarHBondContact O-N 2.9Å
243	E	88.8	Confident	93.2	Very high	22 Å²	22	18.7 Å²	18.7	10%	0.103	9%	0.093	C	C	.	.	H	α-helix	trans	-58.9	-36.9	-179.2	-170.4	175.8	125.6	0	0	112.6	Y271 Q272 W275 Q278	E243-Y271 HydrophobicContact CB-CD1 3.8Å; E243-Y271 HydrophobicContact CB-CE1 4.16Å; E243-Y271 HydrophobicContact CB-CG 4.19Å; E243-Y271 HydrophobicContact CG-CD1 4.25Å; E243-Y271 HydrophobicContact CG-CG 4.14Å; E243-Y271 WeakPolarHBondContact OE2-CA 3.47Å; E243-Y271 WeakPolarHBondContact OE2-CB 3.41Å; E243-Q272 PolarHBondContact OE2-N 3.38Å; E243-W275 VanDerWaalsContact CD-CB 3.43Å; E243-W275 HydrophobicContact CG-CB 3.51Å; E243-W275 HydrophobicContact CG-CD2 4.39Å; E243-W275 HydrophobicContact CG-CE3 4.4Å; E243-W275 HydrophobicContact CG-CG 4.09Å; E243-W275 WeakPolarHBondContact OE1-CB 3.29Å; E243-Q278 PolarHBondContact OE1-NE2 3.47Å
244	H	84.6	Confident	93.3	Very high	125 Å²	125	19.6 Å²	19.6	58%	0.579	9%	0.093	S	C	*	.	H	α-helix	trans	-71.3	-42.7	-178.2	-61.6	-41.6	0	0	0	111.7	D242 S247 Q278	D242-H244 VanDerWaalsContact C-N 3.28Å; D242-H244 PolarHBondContact O-N 3.16Å; D242-H244 PolarHBondContact OD1-N 3.11Å; D242-H244 VanDerWaalsContact OD1-N 3.11Å; H244-S247 PolarHBondContact O-OG 3.31Å; H244-Q278 PolarHBondContact ND1-OE1 3.02Å
245	L	90.4	Very high	93.2	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-76.8	-26	177.3	-64	-176.9	0	0	0	112.6	Q189 F218 D242 S247 K248 V249	Q189-L245 VanDerWaalsContact CD-CD1 3.46Å; Q189-L245 HydrophobicContact CG-CD1 3.87Å; F218-L245 HydrophobicContact CE2-CB 4.09Å; F218-L245 HydrophobicContact CE2-CD1 3.73Å; F218-L245 HydrophobicContact CE2-CG 4.4Å; F218-L245 HydrophobicContact CZ-CB 4.35Å; F218-L245 HydrophobicContact CZ-CD1 4.36Å; D242-L245 PolarHBondContact O-N 3.12Å; D242-L245 WeakPolarHBondContact OD1-CB 3.3Å; D242-L245 WeakPolarHBondContact OD1-CG 3.34Å; D242-L245 PolarHBondContact OD1-N 2.95Å; L245-S247 VanDerWaalsContact C-N 3.26Å; L245-S247 PolarHBondContact O-N 2.77Å; L245-K248 HydrophobicContact CD2-CD 3.87Å; L245-K248 WeakPolarHBondContact O-CA 3.23Å; L245-K248 WeakPolarHBondContact O-CB 3.14Å; L245-K248 PolarHBondContact O-N 3.1Å; L245-V249 WeakPolarHBondContact O-CG2 3.13Å; L245-V249 PolarHBondContact O-N 3.21Å
246	A	92.3	Very high	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-52.2	-44.2	173.9	0	0	0	0	0	112.2	F241 D242 K248 V249 F250 Y271 W275	F241-A246 HydrophobicContact CD2-CB 3.75Å; F241-A246 HydrophobicContact CE2-CB 3.57Å; D242-A246 WeakPolarHBondContact O-CB 3.41Å; D242-A246 PolarHBondContact O-N 2.9Å; A246-K248 VanDerWaalsContact C-N 3.29Å; A246-K248 PolarHBondContact O-N 2.95Å; A246-V249 PolarHBondContact O-N 2.68Å; A246-F250 WeakPolarHBondContact O-CD2 3.02Å; A246-F250 PolarHBondContact O-N 2.69Å; A246-Y271 HydrophobicContact CB-CE2 3.96Å; A246-W275 HydrophobicContact CB-CE3 4.37Å; A246-W275 HydrophobicContact CB-CH2 3.65Å; A246-W275 HydrophobicContact CB-CZ2 4.46Å; A246-W275 HydrophobicContact CB-CZ3 3.6Å
247	S	89.6	Confident	93.1	Very high	10 Å²	10	30.2 Å²	30.2	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-38.7	176.9	70.8	0	0	0	0	113.1	H244 L245 C251	H244-S247 PolarHBondContact O-OG 3.31Å; L245-S247 VanDerWaalsContact C-N 3.26Å; L245-S247 PolarHBondContact O-N 2.77Å; S247-C251 WeakPolarHBondContact O-CB 3.5Å; S247-C251 PolarHBondContact O-N 3Å; S247-C251 VanDerWaalsContact O-N 3.12Å
248	K	90.4	Very high	92.9	Very high	85 Å²	85	30.2 Å²	30.2	37%	0.37	15%	0.151	S	C	.	.	H	α-helix	trans	-71.2	-44.6	176	-60.3	-179.4	-174.2	170	0	111.5	P222 L245 A246 F250 C251 C252 T282	P222-K248 HydrophobicContact CG-CB 3.98Å; L245-K248 HydrophobicContact CD2-CD 3.87Å; L245-K248 WeakPolarHBondContact O-CA 3.23Å; L245-K248 WeakPolarHBondContact O-CB 3.14Å; L245-K248 PolarHBondContact O-N 3.1Å; A246-K248 VanDerWaalsContact C-N 3.29Å; A246-K248 PolarHBondContact O-N 2.95Å; K248-F250 PolarHBondContact O-N 2.69Å; K248-C251 PolarHBondContact O-N 3.49Å; K248-C252 PolarHBondContact O-N 2.6Å; K248-C252 PolarHBondContact O-SG 3.24Å; K248-T282 HydrophobicContact CG-CG2 4.18Å
249	V	94.3	Very high	92.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.9	-52.3	178.1	173.5	0	0	0	0	110.3	L187 F218 P222 V226 F241 L245 A246 C251 C252 A253 W265	L187-V249 HydrophobicContact CD2-CG1 3.81Å; L187-V249 HydrophobicContact CD2-CG2 4.36Å; F218-V249 HydrophobicContact CE1-CG2 4.43Å; F218-V249 HydrophobicContact CE2-CG2 4.33Å; F218-V249 HydrophobicContact CZ-CG2 3.78Å; P222-V249 HydrophobicContact CB-CG2 3.66Å; P222-V249 HydrophobicContact CG-CB 4.41Å; P222-V249 HydrophobicContact CG-CG2 3.74Å; V226-V249 HydrophobicContact CG2-CG1 4.27Å; F241-V249 HydrophobicContact CD1-CG2 4.2Å; F241-V249 HydrophobicContact CE1-CB 4.48Å; F241-V249 HydrophobicContact CE1-CG1 4.08Å; F241-V249 HydrophobicContact CE1-CG2 4.1Å; F241-V249 HydrophobicContact CE2-CG2 4.44Å; F241-V249 HydrophobicContact CG-CG2 4.42Å; F241-V249 HydrophobicContact CZ-CB 4.22Å; F241-V249 HydrophobicContact CZ-CG1 3.95Å; F241-V249 HydrophobicContact CZ-CG2 4.22Å; L245-V249 WeakPolarHBondContact O-CG2 3.13Å; L245-V249 PolarHBondContact O-N 3.21Å; A246-V249 PolarHBondContact O-N 2.68Å; V249-C251 VanDerWaalsContact C-N 3.34Å; V249-C251 PolarHBondContact O-N 2.82Å; V249-C252 WeakPolarHBondContact O-CB 3.5Å; V249-C252 PolarHBondContact O-N 2.88Å; V249-A253 WeakPolarHBondContact O-CB 3.47Å; V249-A253 PolarHBondContact O-N 3.27Å; V249-W265 HydrophobicContact CG1-CH2 3.93Å; V249-W265 HydrophobicContact CG1-CZ3 3.87Å
250	F	94.1	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-30.2	179.5	-76.2	-71.8	0	0	0	113.1	A246 K248 A253 Y254 W265 I267 W275 L289 A292 M293 Y296	A246-F250 WeakPolarHBondContact O-CD2 3.02Å; A246-F250 PolarHBondContact O-N 2.69Å; K248-F250 PolarHBondContact O-N 2.69Å; F250-A253 PolarHBondContact O-N 3.5Å; F250-Y254 WeakPolarHBondContact O-CB 3.18Å; F250-Y254 PolarHBondContact O-N 3.29Å; F250-W265 HydrophobicContact CE1-CB 4.22Å; F250-W265 HydrophobicContact CE1-CD2 4.01Å; F250-W265 AromaticContact CE1-CG 3.84Å; F250-W265 HydrophobicContact CE1-CG 3.84Å; F250-W265 HydrophobicContact CZ-CB 4.33Å; F250-W265 HydrophobicContact CZ-CD2 4.49Å; F250-W265 HydrophobicContact CZ-CG 4.34Å; F250-I267 HydrophobicContact CE2-CD1 3.98Å; F250-I267 HydrophobicContact CZ-CD1 4.1Å; F250-I267 HydrophobicContact CZ-CG2 4.3Å; F250-W275 AromaticContact CD2-CH2 3.93Å; F250-W275 HydrophobicContact CD2-CH2 3.93Å; F250-W275 HydrophobicContact CE2-CH2 4.06Å; F250-W275 HydrophobicContact CE2-CZ2 4.47Å; F250-L289 HydrophobicContact CB-CD1 3.43Å; F250-L289 VanDerWaalsContact CB-CD1 3.43Å; F250-L289 HydrophobicContact CG-CD1 4.4Å; F250-A292 HydrophobicContact CD1-CB 4.49Å; F250-M293 HydrophobicContact CB-CG 4.04Å; F250-M293 HydrophobicContact CD1-CG 3.73Å; F250-M293 HydrophobicContact CD2-CG 3.68Å; F250-M293 HydrophobicContact CD2-SD 4.26Å; F250-M293 HydrophobicContact CE1-CG 4.03Å; F250-M293 HydrophobicContact CE2-CG 3.98Å; F250-M293 HydrophobicContact CG-CG 3.54Å; F250-M293 HydrophobicContact CG-SD 4.46Å; F250-M293 HydrophobicContact CZ-CG 4.15Å; F250-Y296 HydrophobicContact CZ-CD1 4.23Å; F250-Y296 HydrophobicContact CZ-CG 4.49Å
251	C	91.8	Very high	92.1	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.095	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-43.1	170.9	-170.3	0	0	0	0	112.3	S247 K248 V249 Y254 N255 C284	S247-C251 WeakPolarHBondContact O-CB 3.5Å; S247-C251 PolarHBondContact O-N 3Å; S247-C251 VanDerWaalsContact O-N 3.12Å; K248-C251 PolarHBondContact O-N 3.49Å; V249-C251 VanDerWaalsContact C-N 3.34Å; V249-C251 PolarHBondContact O-N 2.82Å; C251-Y254 PolarHBondContact O-N 3.27Å; C251-N255 PolarHBondContact O-N 3.12Å; C251-N255 VanDerWaalsContact O-N 3.11Å; C251-N255 PolarHBondContact O-ND2 2.76Å; C251-N255 VanDerWaalsContact O-ND2 3.17Å; C251-C284 WeakPolarHBondContact CA-SG 3.47Å; C251-C284 HydrophobicContact CB-CB 3.72Å; C251-C284 WeakPolarHBondContact CB-SG 3.32Å; C251-C284 WeakPolarHBondContact SG-CB 3.49Å; C251-C284 CovalentContact SG-SG 2.03Å; C251-C284 PolarHBondContact SG-SG 3.12Å
252	C	92.8	Very high	91.8	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-45.5	172.3	-65.8	0	0	0	0	111	C223 V226 K248 V249 Y254 N255 L256	C223-C252 WeakPolarHBondContact CA-SG 3.39Å; C223-C252 HydrophobicContact CB-CB 4.04Å; C223-C252 WeakPolarHBondContact CB-SG 3.41Å; C223-C252 WeakPolarHBondContact SG-CB 3.3Å; C223-C252 CovalentContact SG-SG 2.04Å; C223-C252 PolarHBondContact SG-SG 2.96Å; V226-C252 HydrophobicContact CB-CB 4.47Å; V226-C252 HydrophobicContact CG1-CB 4.49Å; K248-C252 PolarHBondContact O-N 2.6Å; K248-C252 PolarHBondContact O-SG 3.24Å; V249-C252 WeakPolarHBondContact O-CB 3.5Å; V249-C252 PolarHBondContact O-N 2.88Å; C252-Y254 PolarHBondContact O-N 2.98Å; C252-N255 PolarHBondContact O-N 3.18Å; C252-L256 WeakPolarHBondContact O-CB 3.42Å; C252-L256 WeakPolarHBondContact O-CG 3.23Å; C252-L256 PolarHBondContact O-N 3.35Å
253	A	95.4	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177.1	0	0	0	0	0	112.6	V226 V249 F250 L256 N257 M258 W265	V226-A253 HydrophobicContact CG1-CB 4.5Å; V249-A253 WeakPolarHBondContact O-CB 3.47Å; V249-A253 PolarHBondContact O-N 3.27Å; F250-A253 PolarHBondContact O-N 3.5Å; A253-L256 CarbonylContact O-C 3.52Å; A253-L256 PolarHBondContact O-N 3.23Å; A253-N257 PolarHBondContact O-N 3.09Å; A253-M258 HydrophobicContact CB-CB 4.1Å; A253-M258 PolarHBondContact O-N 3.47Å; A253-W265 HydrophobicContact CB-CH2 4.47Å; A253-W265 HydrophobicContact CB-CZ2 3.74Å
254	Y	94.3	Very high	92.3	Very high	59 Å²	59	38.1 Å²	38.1	23%	0.231	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-53.5	173.3	-175.6	-90	0	0	0	111.3	F250 C251 C252 L256 N257 Y259 K288 T291 A292	F250-Y254 WeakPolarHBondContact O-CB 3.18Å; F250-Y254 PolarHBondContact O-N 3.29Å; C251-Y254 PolarHBondContact O-N 3.27Å; C252-Y254 PolarHBondContact O-N 2.98Å; Y254-L256 PolarHBondContact O-N 3.38Å; Y254-N257 PolarHBondContact O-N 3.29Å; Y254-Y259 HydrophobicContact CD2-CD1 4.4Å; Y254-Y259 AromaticContact CD2-CE1 3.93Å; Y254-Y259 HydrophobicContact CD2-CE1 3.93Å; Y254-Y259 HydrophobicContact CE2-CE1 4.23Å; Y254-Y259 HydrophobicContact CG-CE1 4.47Å; Y254-K288 HydrophobicContact CD1-CB 3.97Å; Y254-K288 HydrophobicContact CD1-CD 3.89Å; Y254-K288 HydrophobicContact CD1-CG 4.04Å; Y254-K288 HydrophobicContact CD2-CB 4.01Å; Y254-K288 VanDerWaalsContact CD2-O 3.23Å; Y254-K288 WeakPolarHBondContact CD2-O 3.37Å; Y254-K288 HydrophobicContact CE1-CB 4.03Å; Y254-K288 HydrophobicContact CE1-CD 3.67Å; Y254-K288 HydrophobicContact CE1-CG 3.66Å; Y254-K288 HydrophobicContact CE2-CB 4.05Å; Y254-K288 HydrophobicContact CE2-CG 4.23Å; Y254-K288 HydrophobicContact CG-CB 3.97Å; Y254-T291 HydrophobicContact CE2-CG2 4.12Å; Y254-A292 HydrophobicContact CD2-CB 4.16Å
255	N	93.5	Very high	92.9	Very high	97 Å²	97	32.5 Å²	32.5	52%	0.519	17%	0.167	S	C	.	.	H	α-helix	trans	-63.6	-24.4	-178.5	-66	-31.6	0	0	0	112.7	C251 C252	C251-N255 PolarHBondContact O-N 3.12Å; C251-N255 VanDerWaalsContact O-N 3.11Å; C251-N255 PolarHBondContact O-ND2 2.76Å; C251-N255 VanDerWaalsContact O-ND2 3.17Å; C252-N255 PolarHBondContact O-N 3.18Å
256	L	94.4	Very high	93.3	Very high	35 Å²	35	32.2 Å²	32.2	18%	0.183	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.4	176.5	-69.4	168.4	0	0	0	113.7	V226 K227 K230 C252 A253 Y254 M258	V226-L256 HydrophobicContact CB-CD1 4.22Å; V226-L256 HydrophobicContact CG1-CD1 3.75Å; K227-L256 HydrophobicContact CB-CD1 4.02Å; K227-L256 HydrophobicContact CB-CD2 4.41Å; K227-L256 HydrophobicContact CG-CD2 4.26Å; K230-L256 HydrophobicContact CD-CB 4.18Å; K230-L256 HydrophobicContact CD-CD2 4.49Å; K230-L256 WeakPolarHBondContact CD-O 3.27Å; K230-L256 WeakPolarHBondContact CE-O 3.44Å; K230-L256 PolarHBondContact NZ-O 3.07Å; C252-L256 WeakPolarHBondContact O-CB 3.42Å; C252-L256 WeakPolarHBondContact O-CG 3.23Å; C252-L256 PolarHBondContact O-N 3.35Å; A253-L256 CarbonylContact O-C 3.52Å; A253-L256 PolarHBondContact O-N 3.23Å; Y254-L256 PolarHBondContact O-N 3.38Å; L256-M258 VanDerWaalsContact C-N 3.33Å; L256-M258 HydrophobicContact CB-CG 4.08Å; L256-M258 HydrophobicContact CB-SD 4.31Å; L256-M258 HydrophobicContact CD1-SD 4.5Å
257	N	93.6	Very high	93.5	Very high	103 Å²	103	32.4 Å²	32.4	55%	0.551	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	41	-173.5	-58.9	-41.9	0	0	0	113.7	A253 Y254 Y259 Y263	A253-N257 PolarHBondContact O-N 3.09Å; Y254-N257 PolarHBondContact O-N 3.29Å; N257-Y259 PolarHBondContact O-N 3.45Å; N257-Y263 WeakPolarHBondContact O-CE2 2.99Å
258	M	94.3	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.			trans	-97.6	51.6	175.4	-63.8	-178.2	75.2	0	0	112.1	V226 L229 K230 I237 A253 L256 Y263 W265	V226-M258 HydrophobicContact CG1-CE 4.4Å; V226-M258 HydrophobicContact CG1-SD 3.43Å; V226-M258 WeakPolarHBondContact CG1-SD 3.24Å; V226-M258 VanDerWaalsContact O-SD 3.34Å; L229-M258 HydrophobicContact CB-CE 4.13Å; K230-M258 HydrophobicContact CB-CE 4.13Å; K230-M258 HydrophobicContact CB-CG 4.21Å; K230-M258 HydrophobicContact CB-SD 3.67Å; K230-M258 HydrophobicContact CD-CG 4.21Å; K230-M258 HydrophobicContact CG-CG 4.25Å; K230-M258 HydrophobicContact CG-SD 4.35Å; I237-M258 HydrophobicContact CD1-CE 3.66Å; A253-M258 HydrophobicContact CB-CB 4.1Å; A253-M258 PolarHBondContact O-N 3.47Å; L256-M258 VanDerWaalsContact C-N 3.33Å; L256-M258 HydrophobicContact CB-CG 4.08Å; L256-M258 HydrophobicContact CB-SD 4.31Å; L256-M258 HydrophobicContact CD1-SD 4.5Å; M258-Y263 HydrophobicContact CB-CD1 4.35Å; M258-Y263 HydrophobicContact CB-CE1 4.21Å; M258-Y263 HydrophobicContact CB-CE2 4.49Å; M258-Y263 HydrophobicContact CE-CD1 4.47Å; M258-Y263 HydrophobicContact CE-CE1 4.1Å; M258-Y263 HydrophobicContact CG-CE1 4.15Å; M258-W265 PolarHBondContact O-NE1 3.17Å
259	Y	93	Very high	93.8	Very high	70 Å²	70	29.2 Å²	29.2	28%	0.275	16%	0.156	S	C	.	.			trans	-148.3	173.4	-179.1	69	-86.7	0	0	0	110.9	Y254 N257 T291 A292	Y254-Y259 HydrophobicContact CD2-CD1 4.4Å; Y254-Y259 AromaticContact CD2-CE1 3.93Å; Y254-Y259 HydrophobicContact CD2-CE1 3.93Å; Y254-Y259 HydrophobicContact CE2-CE1 4.23Å; Y254-Y259 HydrophobicContact CG-CE1 4.47Å; N257-Y259 PolarHBondContact O-N 3.45Å; Y259-T291 HydrophobicContact CD2-CG2 4.26Å; Y259-T291 WeakPolarHBondContact CD2-O 3.42Å; Y259-T291 HydrophobicContact CE2-CG2 3.76Å; Y259-A292 HydrophobicContact CG-CB 4.44Å
260	G	90.5	Very high	93.6	Very high	23 Å²	23	32.7 Å²	32.7	24%	0.237	17%	0.169	C	C	.	.	S	Bend	trans	78.4	-163.7	-177.6	0	0	0	0	0	113.3	K262 Y263	G260-K262 PolarHBondContact O-N 3.36Å; G260-Y263 PolarHBondContact O-N 3.44Å; G260-Y263 VanDerWaalsContact O-N 3.15Å
261	S	90	Very high	93.4	Very high	56 Å²	56	34 Å²	34	39%	0.392	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-1.5	-163.8	57.7	0	0	0	0	117.7
262	K	89.2	Confident	93.1	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.287	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-14.4	-179.2	-58.6	-175.8	178.7	-104.3	0	113.8	G260 G620 R621 D622	G260-K262 PolarHBondContact O-N 3.36Å; K262-G620 WeakPolarHBondContact CE-O 3.33Å; K262-G620 PolarHBondContact NZ-O 3.33Å; K262-R621 PolarHBondContact NZ-O 3.33Å; K262-D622 VanDerWaalsContact CD-OD1 3.26Å; K262-D622 WeakPolarHBondContact CD-OD1 3.33Å; K262-D622 WeakPolarHBondContact CE-OD1 3.29Å; K262-D622 WeakPolarHBondContact CG-OD1 3.29Å; K262-D622 IonicContact NZ-OD1 3.42Å; K262-D622 PolarHBondContact NZ-OD1 2.97Å
263	Y	93.9	Very high	92.6	Very high	35 Å²	35	50.7 Å²	50.7	14%	0.137	24%	0.24	C	C	.	.			trans	-125.3	143.6	-173.1	-62.9	-88.4	0	0	0	110.7	V234 R235 I237 N257 M258 G260	V234-Y263 WeakPolarHBondContact O-CE1 3.12Å; R235-Y263 CarbonylContact O-C 3.58Å; R235-Y263 VanDerWaalsContact O-CA 3.3Å; R235-Y263 WeakPolarHBondContact O-CA 3.47Å; I237-Y263 HydrophobicContact CD1-CD1 4.48Å; N257-Y263 WeakPolarHBondContact O-CE2 2.99Å; M258-Y263 HydrophobicContact CB-CD1 4.35Å; M258-Y263 HydrophobicContact CB-CE1 4.21Å; M258-Y263 HydrophobicContact CB-CE2 4.49Å; M258-Y263 HydrophobicContact CE-CD1 4.47Å; M258-Y263 HydrophobicContact CE-CE1 4.1Å; M258-Y263 HydrophobicContact CG-CE1 4.15Å; G260-Y263 PolarHBondContact O-N 3.44Å; G260-Y263 VanDerWaalsContact O-N 3.15Å
264	Q	96.6	Very high	92.1	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.7	168.7	-173.6	59.9	66.7	0	0	109.8	W181 R235 I236 I237 I266 G295 P448	W181-Q264 HydrophobicContact CH2-CB 4.17Å; W181-Q264 HydrophobicContact CH2-CG 3.84Å; W181-Q264 HydrophobicContact CZ3-CG 4.07Å; R235-Q264 PolarHBondContact O-N 3.32Å; I236-Q264 HydrophobicContact CD1-CB 3.77Å; I237-Q264 PolarHBondContact N-O 3.29Å; Q264-I266 HydrophobicContact CG-CG1 4.43Å; Q264-G295 PolarHBondContact NE2-O 2.87Å; Q264-P448 HydrophobicContact CB-CG 3.96Å
265	W	97.6	Very high	91.8	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.5	170	-69.1	89.6	0	0	0	109.7	L187 I237 V249 F250 A253 M258 I297	L187-W265 HydrophobicContact CD2-CH2 4.45Å; L187-W265 HydrophobicContact CD2-CZ3 4.24Å; I237-W265 HydrophobicContact CB-CD2 4.28Å; I237-W265 HydrophobicContact CB-CE3 3.97Å; I237-W265 HydrophobicContact CB-CZ3 4.12Å; I237-W265 HydrophobicContact CD1-CD2 4.28Å; I237-W265 HydrophobicContact CD1-CE3 4.45Å; I237-W265 HydrophobicContact CD1-CH2 3.82Å; I237-W265 HydrophobicContact CD1-CZ2 3.59Å; I237-W265 HydrophobicContact CD1-CZ3 4.25Å; I237-W265 HydrophobicContact CG2-CD2 4.48Å; I237-W265 HydrophobicContact CG2-CE3 3.71Å; I237-W265 HydrophobicContact CG2-CH2 4Å; I237-W265 HydrophobicContact CG2-CZ3 3.45Å; I237-W265 VanDerWaalsContact CG2-CZ3 3.45Å; V249-W265 HydrophobicContact CG1-CH2 3.93Å; V249-W265 HydrophobicContact CG1-CZ3 3.87Å; F250-W265 HydrophobicContact CE1-CB 4.22Å; F250-W265 HydrophobicContact CE1-CD2 4.01Å; F250-W265 AromaticContact CE1-CG 3.84Å; F250-W265 HydrophobicContact CE1-CG 3.84Å; F250-W265 HydrophobicContact CZ-CB 4.33Å; F250-W265 HydrophobicContact CZ-CD2 4.49Å; F250-W265 HydrophobicContact CZ-CG 4.34Å; A253-W265 HydrophobicContact CB-CH2 4.47Å; A253-W265 HydrophobicContact CB-CZ2 3.74Å; M258-W265 PolarHBondContact O-NE1 3.17Å; W265-I297 PolarHBondContact O-N 2.69Å
266	I	97.9	Very high	91.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119	169.6	-55.5	178.5	0	0	0	106.5	V172 F175 L176 I237 G239 Q264 I297 V299	V172-I266 HydrophobicContact CG1-CD1 4.36Å; V172-I266 HydrophobicContact CG2-CG2 4.29Å; F175-I266 HydrophobicContact CD1-CD1 4.21Å; F175-I266 HydrophobicContact CE1-CD1 4.42Å; L176-I266 HydrophobicContact CD2-CD1 3.99Å; I237-I266 PolarHBondContact O-N 2.72Å; G239-I266 PolarHBondContact N-O 2.74Å; Q264-I266 HydrophobicContact CG-CG1 4.43Å; I266-I297 CarbonylContact C-O 3.6Å; I266-I297 WeakPolarHBondContact CA-O 3.05Å; I266-I297 HydrophobicContact CG1-CB 4.47Å; I266-V299 HydrophobicContact CG2-CG2 3.81Å
267	I	96.6	Very high	90.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.9	-174.2	65.6	170.8	0	0	0	111.4	F241 F250 Y271 W275 Y296 I297 S298 V299	F241-I267 HydrophobicContact CE2-CG2 4.44Å; F241-I267 HydrophobicContact CZ-CG2 3.95Å; F250-I267 HydrophobicContact CE2-CD1 3.98Å; F250-I267 HydrophobicContact CZ-CD1 4.1Å; F250-I267 HydrophobicContact CZ-CG2 4.3Å; I267-Y271 HydrophobicContact CD1-CE2 4.11Å; I267-W275 HydrophobicContact CD1-CZ2 4.47Å; I267-Y296 HydrophobicContact CD1-CD1 4.2Å; I267-Y296 HydrophobicContact CD1-CD2 3.52Å; I267-Y296 HydrophobicContact CD1-CE1 4.34Å; I267-Y296 HydrophobicContact CD1-CE2 3.61Å; I267-Y296 HydrophobicContact CD1-CG 3.87Å; I267-Y296 HydrophobicContact CG1-CD2 3.58Å; I267-Y296 HydrophobicContact CG1-CE2 3.95Å; I267-Y296 HydrophobicContact CG1-CG 4.19Å; I267-I297 PolarHBondContact N-O 3.33Å; I267-S298 WeakPolarHBondContact O-CA 3.26Å; I267-V299 PolarHBondContact O-N 2.86Å
268	P	95.2	Very high	89.3	Confident	18 Å²	18	50.8 Å²	50.8	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.7	177.3	-13.6	30.3	0	0	0	111.5	G239 W270	G239-P268 WeakPolarHBondContact O-CD 3.37Å; P268-W270 HydrophobicContact CB-CG 4.38Å; P268-W270 HydrophobicContact CB-CZ2 4.36Å
269	G	91.7	Very high	87.7	Confident	10 Å²	10	50.8 Å²	50.8	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	-95.2	19.7	-177.3	0	0	0	0	0	115.4	V299	G269-V299 PolarHBondContact N-O 3.44Å
270	W	89	Confident	86	Confident	73 Å²	73	53.2 Å²	53.2	28%	0.277	25%	0.254	S	S	.	.			trans	-97.5	3.2	-176.8	53.9	-106.2	0	0	0	114.6	F194 P268	F194-W270 AromaticContact CE1-CZ2 3.91Å; F194-W270 HydrophobicContact CE1-CZ2 3.91Å; F194-W270 HydrophobicContact CZ-CH2 4.27Å; F194-W270 AromaticContact CZ-CZ2 3.91Å; F194-W270 HydrophobicContact CZ-CZ2 3.91Å; P268-W270 HydrophobicContact CB-CG 4.38Å; P268-W270 HydrophobicContact CB-CZ2 4.36Å
271	Y	89.9	Confident	84.6	Confident	26 Å²	26	59.8 Å²	59.8	10%	0.102	28%	0.283	C	S	.	.	S	Bend	trans	-64.1	162	176.5	-58.1	-25.1	0	0	0	112.6	F241 E243 A246 I267 W275	F241-Y271 WeakPolarHBondContact CD2-OH 3.33Å; F241-Y271 PolarHBondContact O-OH 3.22Å; E243-Y271 HydrophobicContact CB-CD1 3.8Å; E243-Y271 HydrophobicContact CB-CE1 4.16Å; E243-Y271 HydrophobicContact CB-CG 4.19Å; E243-Y271 HydrophobicContact CG-CD1 4.25Å; E243-Y271 HydrophobicContact CG-CG 4.14Å; E243-Y271 WeakPolarHBondContact OE2-CA 3.47Å; E243-Y271 WeakPolarHBondContact OE2-CB 3.41Å; A246-Y271 HydrophobicContact CB-CE2 3.96Å; I267-Y271 HydrophobicContact CD1-CE2 4.11Å; Y271-W275 AromaticContact CD2-CD1 3.99Å; Y271-W275 HydrophobicContact CD2-CD2 4.1Å; Y271-W275 AromaticContact CD2-CE2 3.67Å; Y271-W275 HydrophobicContact CD2-CG 4.28Å; Y271-W275 HydrophobicContact CD2-CZ2 4.04Å; Y271-W275 AromaticContact CD2-NE1 3.64Å; Y271-W275 HydrophobicContact CE2-CZ2 4.19Å
272	Q	85.2	Confident	83.5	Confident	133 Å²	133	58.4 Å²	58.4	62%	0.621	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-67.6	153.8	174.9	-62.7	-167.2	-6.4	0	0	112	E243 N274 W275	E243-Q272 PolarHBondContact OE2-N 3.38Å; Q272-N274 PolarHBondContact O-N 3.26Å; Q272-W275 WeakPolarHBondContact O-CB 3.22Å; Q272-W275 VanDerWaalsContact O-CD1 3.27Å; Q272-W275 PolarHBondContact O-N 2.87Å
273	R	82.7	Confident	82.7	Confident	240 Å²	240	63.6 Å²	63.6	91%	0.906	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.5	169.9	-69.5	-177	179.1	170.2	1	109.1	W275	R273-W275 PolarHBondContact O-N 3.49Å
274	N	85.9	Confident	81.9	Confident	74 Å²	74	62.2 Å²	62.2	40%	0.396	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	26.9	-179	-56.1	14	0	0	0	115.2	Q272 W276 E277	Q272-N274 PolarHBondContact O-N 3.26Å; N274-W276 HydrophobicContact CB-CZ2 4.09Å; N274-W276 PolarHBondContact O-N 3.19Å; N274-E277 HydrophobicContact CB-CG 4.12Å; N274-E277 WeakPolarHBondContact CB-OE1 3.45Å; N274-E277 PolarHBondContact ND2-OE1 3.06Å; N274-E277 WeakPolarHBondContact O-CB 3.26Å; N274-E277 PolarHBondContact O-N 2.85Å
275	W	86.3	Confident	81.3	Confident	7 Å²	7	66.2 Å²	66.2	3%	0.027	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-50.5	-29.4	178.6	63.9	-96.7	0	0	0	114.7	E243 A246 F250 I267 Y271 Q272 R273 E277 Q278 M293 Y296	E243-W275 VanDerWaalsContact CD-CB 3.43Å; E243-W275 HydrophobicContact CG-CB 3.51Å; E243-W275 HydrophobicContact CG-CD2 4.39Å; E243-W275 HydrophobicContact CG-CE3 4.4Å; E243-W275 HydrophobicContact CG-CG 4.09Å; E243-W275 WeakPolarHBondContact OE1-CB 3.29Å; A246-W275 HydrophobicContact CB-CE3 4.37Å; A246-W275 HydrophobicContact CB-CH2 3.65Å; A246-W275 HydrophobicContact CB-CZ2 4.46Å; A246-W275 HydrophobicContact CB-CZ3 3.6Å; F250-W275 AromaticContact CD2-CH2 3.93Å; F250-W275 HydrophobicContact CD2-CH2 3.93Å; F250-W275 HydrophobicContact CE2-CH2 4.06Å; F250-W275 HydrophobicContact CE2-CZ2 4.47Å; I267-W275 HydrophobicContact CD1-CZ2 4.47Å; Y271-W275 AromaticContact CD2-CD1 3.99Å; Y271-W275 HydrophobicContact CD2-CD2 4.1Å; Y271-W275 AromaticContact CD2-CE2 3.67Å; Y271-W275 HydrophobicContact CD2-CG 4.28Å; Y271-W275 HydrophobicContact CD2-CZ2 4.04Å; Y271-W275 AromaticContact CD2-NE1 3.64Å; Y271-W275 HydrophobicContact CE2-CZ2 4.19Å; Q272-W275 WeakPolarHBondContact O-CB 3.22Å; Q272-W275 VanDerWaalsContact O-CD1 3.27Å; Q272-W275 PolarHBondContact O-N 2.87Å; R273-W275 PolarHBondContact O-N 3.49Å; W275-E277 PolarHBondContact O-N 3.08Å; W275-Q278 WeakPolarHBondContact O-CB 3.4Å; W275-Q278 PolarHBondContact O-N 2.98Å; W275-Q278 VanDerWaalsContact O-N 3.17Å; W275-M293 HydrophobicContact CH2-CE 3.56Å; W275-M293 HydrophobicContact CH2-SD 3.6Å; W275-M293 VanDerWaalsContact CH2-SD 3.6Å; W275-M293 HydrophobicContact CZ2-CE 3.22Å; W275-M293 HydrophobicContact CZ2-SD 3.94Å; W275-M293 HydrophobicContact CZ3-CE 4.36Å; W275-M293 HydrophobicContact CZ3-SD 4.24Å; W275-Y296 HydrophobicContact CZ2-CE1 4.5Å
276	W	84.1	Confident	80.6	Confident	25 Å²	25	68 Å²	68	10%	0.095	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63.8	-15.9	175.6	55.8	82.2	0	0	0	114.6	N274 Q278 A279 L289 L290 M293 F415 G418	N274-W276 HydrophobicContact CB-CZ2 4.09Å; N274-W276 PolarHBondContact O-N 3.19Å; W276-Q278 VanDerWaalsContact C-N 3.31Å; W276-A279 WeakPolarHBondContact O-CB 3.31Å; W276-A279 PolarHBondContact O-N 3.49Å; W276-L289 HydrophobicContact CB-CD2 3.79Å; W276-L289 HydrophobicContact CB-CG 4.39Å; W276-L290 HydrophobicContact CD2-CD2 4.49Å; W276-L290 HydrophobicContact CG-CD2 4.24Å; W276-M293 HydrophobicContact CB-CE 4.07Å; W276-M293 HydrophobicContact CB-SD 4.22Å; W276-M293 HydrophobicContact CD2-CE 4.33Å; W276-M293 HydrophobicContact CE3-CE 3.87Å; W276-M293 HydrophobicContact CG-CE 4.46Å; W276-F415 HydrophobicContact CE3-CE2 4.13Å; W276-F415 HydrophobicContact CE3-CZ 4.5Å; W276-F415 AromaticContact CH2-CE2 3.58Å; W276-F415 HydrophobicContact CH2-CE2 3.58Å; W276-F415 HydrophobicContact CH2-CZ 4.32Å; W276-F415 HydrophobicContact CZ2-CE2 4.05Å; W276-F415 HydrophobicContact CZ2-CZ 4.37Å; W276-F415 HydrophobicContact CZ3-CD2 4.38Å; W276-F415 AromaticContact CZ3-CE2 3.62Å; W276-F415 HydrophobicContact CZ3-CE2 3.62Å; W276-F415 HydrophobicContact CZ3-CZ 4.38Å; W276-G418 WeakPolarHBondContact CZ2-O 3.05Å
277	E	78.5	Confident	80.1	Confident	110 Å²	110	77.8 Å²	77.8	51%	0.514	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-70.5	-27.5	173.8	-67.1	179.7	-161.7	0	0	112.2	N274 W275 A279	N274-E277 HydrophobicContact CB-CG 4.12Å; N274-E277 WeakPolarHBondContact CB-OE1 3.45Å; N274-E277 PolarHBondContact ND2-OE1 3.06Å; N274-E277 WeakPolarHBondContact O-CB 3.26Å; N274-E277 PolarHBondContact O-N 2.85Å; W275-E277 PolarHBondContact O-N 3.08Å; E277-A279 PolarHBondContact O-N 3.21Å
278	Q	67.4	Low	79.7	Confident	79 Å²	79	81 Å²	81	37%	0.369	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-67.4	-13.6	174.3	-58.6	175	27.3	0	0	112.7	E243 H244 W275 W276 N280 N281	E243-Q278 PolarHBondContact OE1-NE2 3.47Å; H244-Q278 PolarHBondContact ND1-OE1 3.02Å; W275-Q278 WeakPolarHBondContact O-CB 3.4Å; W275-Q278 PolarHBondContact O-N 2.98Å; W275-Q278 VanDerWaalsContact O-N 3.17Å; W276-Q278 VanDerWaalsContact C-N 3.31Å; Q278-N280 PolarHBondContact O-N 3.42Å; Q278-N281 PolarHBondContact O-N 3.37Å
279	A	60.3	Low	79.5	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-66.7	-5.3	-177.7	0	0	0	0	0	114.7	W276 E277 N281 T282 L289	W276-A279 WeakPolarHBondContact O-CB 3.31Å; W276-A279 PolarHBondContact O-N 3.49Å; E277-A279 PolarHBondContact O-N 3.21Å; A279-N281 PolarHBondContact O-N 3.4Å; A279-N281 VanDerWaalsContact O-N 3.09Å; A279-T282 WeakPolarHBondContact O-CB 3.43Å; A279-T282 PolarHBondContact O-N 3.39Å; A279-T282 PolarHBondContact O-OG1 3.33Å; A279-L289 HydrophobicContact CB-CD2 3.29Å
280	N	58.2	Low	79.5	Confident	122 Å²	122	82.4 Å²	82.4	65%	0.652	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-55.3	-21	170	-71.8	-21.3	0	0	0	113.3	Q278 T282	Q278-N280 PolarHBondContact O-N 3.42Å; N280-T282 PolarHBondContact O-N 3.39Å
281	N	60.7	Low	79.6	Confident	160 Å²	160	81.8 Å²	81.8	86%	0.856	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-80.2	7	172.1	-71.2	-18.8	0	0	0	114.1	Q278 A279	Q278-N281 PolarHBondContact O-N 3.37Å; A279-N281 PolarHBondContact O-N 3.4Å; A279-N281 VanDerWaalsContact O-N 3.09Å
282	T	66.6	Low	79.8	Confident	27 Å²	27	80.7 Å²	80.7	17%	0.166	39%	0.392	C	S	.	.	S	Bend	trans	-119	160.3	177.1	73.8	0	0	0	0	111.2	K248 A279 N280 C284	K248-T282 HydrophobicContact CG-CG2 4.18Å; A279-T282 WeakPolarHBondContact O-CB 3.43Å; A279-T282 PolarHBondContact O-N 3.39Å; A279-T282 PolarHBondContact O-OG1 3.33Å; N280-T282 PolarHBondContact O-N 3.39Å; T282-C284 PolarHBondContact O-N 2.93Å; T282-C284 PolarHBondContact OG1-N 3.23Å
283	N	71.8	Confident	80.2	Confident	175 Å²	175	74.4 Å²	74.4	94%	0.936	36%	0.363	S	S	*	.	S	Bend	trans	-71	15	174.8	-68.1	-19.1	0	0	0	113.9
284	C	77.4	Confident	80.8	Confident	7 Å²	7	65.8 Å²	65.8	5%	0.047	33%	0.333	C	S	.	.	S	Bend	trans	-104.5	134.2	175.4	-107.6	0	0	0	0	111.8	C251 T282	C251-C284 WeakPolarHBondContact CA-SG 3.47Å; C251-C284 HydrophobicContact CB-CB 3.72Å; C251-C284 WeakPolarHBondContact CB-SG 3.32Å; C251-C284 WeakPolarHBondContact SG-CB 3.49Å; C251-C284 CovalentContact SG-SG 2.03Å; C251-C284 PolarHBondContact SG-SG 3.12Å; T282-C284 PolarHBondContact O-N 2.93Å; T282-C284 PolarHBondContact OG1-N 3.23Å
285	T	84	Confident	81.2	Confident	88 Å²	88	62.5 Å²	62.5	54%	0.54	32%	0.317	S	S	.	.			trans	-75.7	142.8	165.4	46.7	0	0	0	0	110.6	R287 K288 L289	T285-R287 PolarHBondContact O-N 2.93Å; T285-K288 WeakPolarHBondContact O-CB 3.47Å; T285-K288 PolarHBondContact O-N 3.06Å; T285-L289 PolarHBondContact O-N 3.44Å
286	S	83.5	Confident	81.7	Confident	44 Å²	44	62.3 Å²	62.3	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-54.4	-32.3	-176.5	-29.5	0	0	0	0	112.9	K288 L289 L290	S286-K288 PolarHBondContact O-N 3.06Å; S286-L289 PolarHBondContact O-N 3.21Å; S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 2.02Å
287	R	87.2	Confident	82.3	Confident	210 Å²	210	61.1 Å²	61.1	79%	0.792	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-40.7	174.3	-174.6	174.4	-178.6	148.9	3.2	113.5	T285 T291	T285-R287 PolarHBondContact O-N 2.93Å; R287-T291 WeakPolarHBondContact O-CB 3.33Å; R287-T291 PolarHBondContact O-N 3.32Å; R287-T291 VanDerWaalsContact O-N 3.14Å; R287-T291 PolarHBondContact O-OG1 2.89Å
288	K	89.3	Confident	83.1	Confident	73 Å²	73	56 Å²	56	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-66.2	-44	175.7	-68.5	-178.8	174.1	-174.2	0	110.5	Y254 T285 S286 T291 A292	Y254-K288 HydrophobicContact CD1-CB 3.97Å; Y254-K288 HydrophobicContact CD1-CD 3.89Å; Y254-K288 HydrophobicContact CD1-CG 4.04Å; Y254-K288 HydrophobicContact CD2-CB 4.01Å; Y254-K288 VanDerWaalsContact CD2-O 3.23Å; Y254-K288 WeakPolarHBondContact CD2-O 3.37Å; Y254-K288 HydrophobicContact CE1-CB 4.03Å; Y254-K288 HydrophobicContact CE1-CD 3.67Å; Y254-K288 HydrophobicContact CE1-CG 3.66Å; Y254-K288 HydrophobicContact CE2-CB 4.05Å; Y254-K288 HydrophobicContact CE2-CG 4.23Å; Y254-K288 HydrophobicContact CG-CB 3.97Å; T285-K288 WeakPolarHBondContact O-CB 3.47Å; T285-K288 PolarHBondContact O-N 3.06Å; S286-K288 PolarHBondContact O-N 3.06Å; K288-T291 PolarHBondContact O-N 3.11Å; K288-A292 PolarHBondContact O-N 2.84Å
289	L	89.6	Confident	84.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-51.9	179.6	180	58.3	0	0	0	111.5	F250 W276 A279 T285 S286 T291 A292 M293	F250-L289 HydrophobicContact CB-CD1 3.43Å; F250-L289 VanDerWaalsContact CB-CD1 3.43Å; F250-L289 HydrophobicContact CG-CD1 4.4Å; W276-L289 HydrophobicContact CB-CD2 3.79Å; W276-L289 HydrophobicContact CB-CG 4.39Å; A279-L289 HydrophobicContact CB-CD2 3.29Å; T285-L289 PolarHBondContact O-N 3.44Å; S286-L289 PolarHBondContact O-N 3.21Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.1Å; L289-A292 PolarHBondContact O-N 3.46Å; L289-A292 VanDerWaalsContact O-N 3.09Å; L289-M293 HydrophobicContact CD1-CG 4.1Å; L289-M293 HydrophobicContact CD1-SD 3.42Å; L289-M293 WeakPolarHBondContact CD1-SD 3.49Å; L289-M293 HydrophobicContact CD2-SD 4.23Å; L289-M293 HydrophobicContact CG-SD 3.48Å; L289-M293 WeakPolarHBondContact CG-SD 3.12Å; L289-M293 WeakPolarHBondContact O-CB 3.49Å; L289-M293 WeakPolarHBondContact O-CG 3.36Å; L289-M293 PolarHBondContact O-N 2.97Å
290	L	91.8	Very high	86.1	Confident	56 Å²	56	52.9 Å²	52.9	29%	0.293	27%	0.273	S	S	.	.	H	α-helix	trans	-55.8	-42.7	174.5	-69.9	169.2	0	0	0	112.1	W276 S286 A292 M293 E294 F415	W276-L290 HydrophobicContact CD2-CD2 4.49Å; W276-L290 HydrophobicContact CG-CD2 4.24Å; S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 2.02Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.42Å; L290-M293 PolarHBondContact O-N 3.25Å; L290-E294 PolarHBondContact O-N 2.91Å; L290-F415 HydrophobicContact CD2-CE1 3.99Å; L290-F415 HydrophobicContact CD2-CZ 3.65Å
291	T	91.9	Very high	87.8	Confident	60 Å²	60	47.8 Å²	47.8	37%	0.368	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-33.8	178.2	-53.1	0	0	0	0	112.9	Y254 Y259 R287 K288 L289	Y254-T291 HydrophobicContact CE2-CG2 4.12Å; Y259-T291 HydrophobicContact CD2-CG2 4.26Å; Y259-T291 WeakPolarHBondContact CD2-O 3.42Å; Y259-T291 HydrophobicContact CE2-CG2 3.76Å; R287-T291 WeakPolarHBondContact O-CB 3.33Å; R287-T291 PolarHBondContact O-N 3.32Å; R287-T291 VanDerWaalsContact O-N 3.14Å; R287-T291 PolarHBondContact O-OG1 2.89Å; K288-T291 PolarHBondContact O-N 3.11Å; L289-T291 VanDerWaalsContact C-N 3.3Å; L289-T291 PolarHBondContact O-N 3.1Å
292	A	93.2	Very high	89.3	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-83.5	-25.6	177.8	0	0	0	0	0	113.8	F250 Y254 Y259 K288 L289 L290	F250-A292 HydrophobicContact CD1-CB 4.49Å; Y254-A292 HydrophobicContact CD2-CB 4.16Å; Y259-A292 HydrophobicContact CG-CB 4.44Å; K288-A292 PolarHBondContact O-N 2.84Å; L289-A292 PolarHBondContact O-N 3.46Å; L289-A292 VanDerWaalsContact O-N 3.09Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.42Å
293	M	93.2	Very high	90.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-83.1	-18.9	177.7	-75.8	169.9	54.6	0	0	113.4	F250 W275 W276 L289 L290 G295 Y296 F415	F250-M293 HydrophobicContact CB-CG 4.04Å; F250-M293 HydrophobicContact CD1-CG 3.73Å; F250-M293 HydrophobicContact CD2-CG 3.68Å; F250-M293 HydrophobicContact CD2-SD 4.26Å; F250-M293 HydrophobicContact CE1-CG 4.03Å; F250-M293 HydrophobicContact CE2-CG 3.98Å; F250-M293 HydrophobicContact CG-CG 3.54Å; F250-M293 HydrophobicContact CG-SD 4.46Å; F250-M293 HydrophobicContact CZ-CG 4.15Å; W275-M293 HydrophobicContact CH2-CE 3.56Å; W275-M293 HydrophobicContact CH2-SD 3.6Å; W275-M293 VanDerWaalsContact CH2-SD 3.6Å; W275-M293 HydrophobicContact CZ2-CE 3.22Å; W275-M293 HydrophobicContact CZ2-SD 3.94Å; W275-M293 HydrophobicContact CZ3-CE 4.36Å; W275-M293 HydrophobicContact CZ3-SD 4.24Å; W276-M293 HydrophobicContact CB-CE 4.07Å; W276-M293 HydrophobicContact CB-SD 4.22Å; W276-M293 HydrophobicContact CD2-CE 4.33Å; W276-M293 HydrophobicContact CE3-CE 3.87Å; W276-M293 HydrophobicContact CG-CE 4.46Å; L289-M293 HydrophobicContact CD1-CG 4.1Å; L289-M293 HydrophobicContact CD1-SD 3.42Å; L289-M293 WeakPolarHBondContact CD1-SD 3.49Å; L289-M293 HydrophobicContact CD2-SD 4.23Å; L289-M293 HydrophobicContact CG-SD 3.48Å; L289-M293 WeakPolarHBondContact CG-SD 3.12Å; L289-M293 WeakPolarHBondContact O-CB 3.49Å; L289-M293 WeakPolarHBondContact O-CG 3.36Å; L289-M293 PolarHBondContact O-N 2.97Å; L290-M293 PolarHBondContact O-N 3.25Å; M293-G295 PolarHBondContact O-N 3.45Å; M293-Y296 HydrophobicContact CB-CD1 3.85Å; M293-Y296 HydrophobicContact CB-CE1 4Å; M293-Y296 HydrophobicContact CE-CD1 4.42Å; M293-Y296 HydrophobicContact CE-CE1 3.6Å; M293-Y296 HydrophobicContact CG-CD1 4.28Å; M293-Y296 HydrophobicContact CG-CE1 4.36Å; M293-Y296 WeakPolarHBondContact O-CD1 3.44Å; M293-Y296 PolarHBondContact O-N 2.91Å; M293-Y296 VanDerWaalsContact O-N 3.08Å; M293-F415 HydrophobicContact CB-CD1 4.21Å; M293-F415 HydrophobicContact CB-CE1 4.25Å; M293-F415 HydrophobicContact CE-CZ 4.49Å
294	E	95.1	Very high	91.6	Very high	60 Å²	60	34.2 Å²	34.2	28%	0.28	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	124.7	-177.4	-164.3	60.1	-152.6	0	0	112.2	L290 Q416 D417 Q443	L290-E294 PolarHBondContact O-N 2.91Å; E294-Q416 WeakPolarHBondContact OE1-CA 3.26Å; E294-D417 PolarHBondContact OE1-N 3.12Å; E294-Q443 PolarHBondContact O-NE2 2.76Å
295	G	94.7	Very high	92.4	Very high	5 Å²	5	35.2 Å²	35.2	5%	0.052	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	7.7	178.9	0	0	0	0	0	117	Q264 M293 Q414 F415	Q264-G295 PolarHBondContact NE2-O 2.87Å; M293-G295 PolarHBondContact O-N 3.45Å; G295-Q414 PolarHBondContact O-NE2 2.71Å; G295-F415 VanDerWaalsContact CA-O 3.3Å; G295-F415 WeakPolarHBondContact CA-O 3.34Å; G295-F415 PolarHBondContact N-O 2.93Å
296	Y	96.4	Very high	92.5	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-59.5	148.5	170	76.9	-108.9	0	0	0	111	F250 I267 W275 M293 S298 Q414 F415 E420	F250-Y296 HydrophobicContact CZ-CD1 4.23Å; F250-Y296 HydrophobicContact CZ-CG 4.49Å; I267-Y296 HydrophobicContact CD1-CD1 4.2Å; I267-Y296 HydrophobicContact CD1-CD2 3.52Å; I267-Y296 HydrophobicContact CD1-CE1 4.34Å; I267-Y296 HydrophobicContact CD1-CE2 3.61Å; I267-Y296 HydrophobicContact CD1-CG 3.87Å; I267-Y296 HydrophobicContact CG1-CD2 3.58Å; I267-Y296 HydrophobicContact CG1-CE2 3.95Å; I267-Y296 HydrophobicContact CG1-CG 4.19Å; W275-Y296 HydrophobicContact CZ2-CE1 4.5Å; M293-Y296 HydrophobicContact CB-CD1 3.85Å; M293-Y296 HydrophobicContact CB-CE1 4Å; M293-Y296 HydrophobicContact CE-CD1 4.42Å; M293-Y296 HydrophobicContact CE-CE1 3.6Å; M293-Y296 HydrophobicContact CG-CD1 4.28Å; M293-Y296 HydrophobicContact CG-CE1 4.36Å; M293-Y296 WeakPolarHBondContact O-CD1 3.44Å; M293-Y296 PolarHBondContact O-N 2.91Å; M293-Y296 VanDerWaalsContact O-N 3.08Å; Y296-S298 WeakPolarHBondContact CE2-OG 3.49Å; Y296-Q414 WeakPolarHBondContact O-CA 3.37Å; Y296-F415 HydrophobicContact CD1-CB 3.7Å; Y296-F415 HydrophobicContact CD1-CD1 4.45Å; Y296-F415 HydrophobicContact CD1-CG 4.14Å; Y296-F415 HydrophobicContact CD2-CB 4.29Å; Y296-F415 HydrophobicContact CE1-CB 3.38Å; Y296-F415 HydrophobicContact CE1-CD1 4.04Å; Y296-F415 AromaticContact CE1-CD2 3.89Å; Y296-F415 HydrophobicContact CE1-CD2 3.89Å; Y296-F415 AromaticContact CE1-CG 3.5Å; Y296-F415 HydrophobicContact CE1-CG 3.5Å; Y296-F415 VanDerWaalsContact CE1-CG 3.5Å; Y296-F415 HydrophobicContact CE2-CB 4.07Å; Y296-F415 HydrophobicContact CG-CB 4.09Å; Y296-F415 AromaticContact CZ-CD2 3.97Å; Y296-F415 AromaticContact CZ-CG 3.92Å; Y296-F415 PolarHBondContact O-N 3.22Å; Y296-E420 PolarHBondContact OH-OE1 3.27Å
297	I	97.4	Very high	92.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.7	173.3	-60.5	-63.1	0	0	0	108.4	F175 W265 I266 I267 V299 F412 N413 Q414 V423 I440	F175-I297 HydrophobicContact CE1-CG1 4.17Å; F175-I297 HydrophobicContact CE1-CG2 4.46Å; F175-I297 HydrophobicContact CZ-CD1 4.16Å; F175-I297 HydrophobicContact CZ-CG1 3.93Å; F175-I297 HydrophobicContact CZ-CG2 4.34Å; W265-I297 PolarHBondContact O-N 2.69Å; I266-I297 CarbonylContact C-O 3.6Å; I266-I297 WeakPolarHBondContact CA-O 3.05Å; I266-I297 HydrophobicContact CG1-CB 4.47Å; I267-I297 PolarHBondContact N-O 3.33Å; I297-V299 HydrophobicContact CG2-CG2 4.19Å; I297-F412 HydrophobicContact CG2-CD1 3.79Å; I297-N413 CarbonylContact C-O 3.56Å; I297-N413 WeakPolarHBondContact CA-O 3.41Å; I297-Q414 HydrophobicContact CD1-CB 3.82Å; I297-Q414 HydrophobicContact CD1-CG 3.85Å; I297-V423 HydrophobicContact CD1-CG2 4.44Å; I297-I440 HydrophobicContact CD1-CD1 4.21Å
298	S	96.3	Very high	92.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.6	171.6	26.4	0	0	0	0	110.7	I267 Y296 N413 E420	I267-S298 WeakPolarHBondContact O-CA 3.26Å; Y296-S298 WeakPolarHBondContact CE2-OG 3.49Å; S298-N413 PolarHBondContact N-O 3.01Å; S298-N413 PolarHBondContact O-N 3.16Å; S298-N413 VanDerWaalsContact OG-CB 3.23Å; S298-N413 WeakPolarHBondContact OG-CB 3.49Å; S298-E420 VanDerWaalsContact CB-OE1 3.26Å; S298-E420 WeakPolarHBondContact CB-OE1 3.37Å; S298-E420 VanDerWaalsContact OG-CD 3.3Å; S298-E420 PolarHBondContact OG-OE1 2.67Å
299	V	96.5	Very high	93	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.8	-179.1	-160.6	0	0	0	0	110.4	V168 V172 I266 I267 G269 I297 I410 F412	V168-V299 HydrophobicContact CG1-CB 3.95Å; V168-V299 HydrophobicContact CG1-CG1 3.72Å; V172-V299 HydrophobicContact CG2-CG2 4.24Å; I266-V299 HydrophobicContact CG2-CG2 3.81Å; I267-V299 PolarHBondContact O-N 2.86Å; G269-V299 PolarHBondContact N-O 3.44Å; I297-V299 HydrophobicContact CG2-CG2 4.19Å; V299-I410 HydrophobicContact CG1-CG2 3.36Å; V299-F412 HydrophobicContact CB-CE1 4.49Å; V299-F412 HydrophobicContact CG1-CD1 4.22Å; V299-F412 HydrophobicContact CG1-CE1 3.88Å; V299-F412 HydrophobicContact CG1-CZ 4.22Å; V299-F412 HydrophobicContact CG2-CD1 3.8Å; V299-F412 HydrophobicContact CG2-CE1 3.73Å
300	D	94.1	Very high	93.1	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	171.9	-177.4	176.9	43.6	0	0	0	108.8	K337 I410 K411	D300-K337 IonicContact OD1-NZ 2.69Å; D300-I410 WeakPolarHBondContact O-CG2 3.49Å; D300-K411 PolarHBondContact N-O 3.01Å; D300-K411 WeakPolarHBondContact O-CG 3.27Å; D300-K411 PolarHBondContact O-N 3.48Å; D300-K411 VanDerWaalsContact OD2-CE 3.27Å; D300-K411 WeakPolarHBondContact OD2-CE 3.34Å; D300-K411 IonicContact OD2-NZ 2.81Å; D300-K411 PolarHBondContact OD2-NZ 2.85Å
301	F	93.2	Very high	93.1	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.066	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	154.2	173.6	52.2	-101	0	0	0	111.9	T145 V162 P163 P303 K337 F338 F341 I410 K411	T145-F301 HydrophobicContact CG2-CE1 4.23Å; V162-F301 HydrophobicContact CG2-CD1 4.33Å; V162-F301 HydrophobicContact CG2-CE1 3.97Å; V162-F301 HydrophobicContact CG2-CE2 4.38Å; V162-F301 HydrophobicContact CG2-CZ 3.98Å; P163-F301 HydrophobicContact CB-CB 4.48Å; P163-F301 HydrophobicContact CG-CB 4.1Å; F301-P303 WeakPolarHBondContact O-CD 3.36Å; F301-K337 HydrophobicContact CE2-CD 4.47Å; F301-K337 HydrophobicContact CZ-CD 4.35Å; F301-F338 HydrophobicContact CE1-CE1 4.47Å; F301-F338 HydrophobicContact CE2-CE1 4.49Å; F301-F338 HydrophobicContact CZ-CD1 4.31Å; F301-F338 AromaticContact CZ-CE1 3.69Å; F301-F338 HydrophobicContact CZ-CE1 3.69Å; F301-F338 HydrophobicContact CZ-CZ 4.25Å; F301-F341 AromaticContact CD2-CE2 3.57Å; F301-F341 HydrophobicContact CD2-CE2 3.57Å; F301-F341 AromaticContact CD2-CZ 3.72Å; F301-F341 HydrophobicContact CD2-CZ 3.72Å; F301-F341 HydrophobicContact CE2-CD2 4.42Å; F301-F341 AromaticContact CE2-CE2 3.52Å; F301-F341 HydrophobicContact CE2-CE2 3.52Å; F301-F341 HydrophobicContact CE2-CZ 4.15Å; F301-F341 HydrophobicContact CG-CZ 4.44Å; F301-F341 HydrophobicContact CZ-CE2 4.49Å; F301-I410 HydrophobicContact CB-CD1 4.41Å; F301-K411 VanDerWaalsContact O-CE 3.26Å; F301-K411 WeakPolarHBondContact O-CE 3.36Å; F301-K411 PolarHBondContact O-NZ 2.94Å
302	E	92.8	Very high	93.1	Very high	24 Å²	24	37.8 Å²	37.8	11%	0.112	20%	0.204	C	C	.	.			trans	-78.2	120.5	171.6	-173.7	92.4	146.5	0	0	109.8	L304 S306 T409 K411 K422	E302-L304 WeakPolarHBondContact CG-O 3.46Å; E302-S306 PolarHBondContact OE1-OG 3.33Å; E302-T409 HydrophobicContact CB-CG2 4.22Å; E302-T409 PolarHBondContact N-O 2.71Å; E302-K411 WeakPolarHBondContact OE2-CB 3.45Å; E302-K422 VanDerWaalsContact CD-NZ 3.27Å; E302-K422 IonicContact OE1-NZ 3.61Å; E302-K422 PolarHBondContact OE1-NZ 3.22Å; E302-K422 IonicContact OE2-NZ 3.65Å; E302-K422 PolarHBondContact OE2-NZ 3.46Å
303	P	92.6	Very high	93.1	Very high	32 Å²	32	38.2 Å²	38.2	21%	0.208	21%	0.207	C	C	.	.	S	Bend	trans	-72.2	-29.3	-177.1	-21.4	35.1	0	0	0	115.2	F301 T396	F301-P303 WeakPolarHBondContact O-CD 3.36Å; P303-T396 VanDerWaalsContact O-CG2 3.27Å; P303-T396 WeakPolarHBondContact O-CG2 3.43Å
304	L	94.2	Very high	93	Very high	22 Å²	22	40 Å²	40	12%	0.115	23%	0.226	C	C	.	.	S	Bend	trans	-142	146.4	179	-69.4	179	0	0	0	109.2	E302 S306 Y320 E321 V395 T396	E302-L304 WeakPolarHBondContact CG-O 3.46Å; L304-S306 PolarHBondContact O-N 3.05Å; L304-Y320 HydrophobicContact CD2-CD1 4.07Å; L304-Y320 HydrophobicContact CD2-CE1 3.9Å; L304-E321 HydrophobicContact CD1-CB 3.99Å; L304-E321 HydrophobicContact CD1-CG 4.07Å; L304-V395 HydrophobicContact CD2-CB 4.37Å; L304-V395 HydrophobicContact CD2-CG2 4.04Å; L304-T396 HydrophobicContact CD2-CG2 4.49Å
305	S	92.4	Very high	92.9	Very high	27 Å²	27	40.1 Å²	40.1	19%	0.189	22%	0.224	C	C	.	.			trans	-68.1	127.4	-178.7	-165.8	0	0	0	0	111.9	R307 P317 V395	S305-R307 PolarHBondContact O-N 2.98Å; S305-R307 VanDerWaalsContact O-N 3.14Å; S305-R307 PolarHBondContact OG-N 3.48Å; S305-P317 WeakPolarHBondContact O-CB 3.26Å; S305-V395 PolarHBondContact N-O 3.08Å
306	S	87.8	Confident	93	Very high	69 Å²	69	40.8 Å²	40.8	48%	0.483	23%	0.227	S	C	.	.	S	Bend	trans	-61.7	-14.4	170	-77.4	0	0	0	0	113.6	E302 L304 K422	E302-S306 PolarHBondContact OE1-OG 3.33Å; L304-S306 PolarHBondContact O-N 3.05Å; S306-K422 PolarHBondContact OG-NZ 2.9Å; S306-K422 VanDerWaalsContact OG-NZ 3.12Å
307	R	87.8	Confident	92.9	Very high	136 Å²	136	41 Å²	41	51%	0.513	23%	0.229	S	C	.	.	S	Bend	trans	-87.8	130.9	-176.3	-60.3	-176.8	-178.3	-165.9	-3.3	111.8	S305 V309	S305-R307 PolarHBondContact O-N 2.98Å; S305-R307 VanDerWaalsContact O-N 3.14Å; S305-R307 PolarHBondContact OG-N 3.48Å; R307-V309 HydrophobicContact CB-CG2 4.2Å; R307-V309 PolarHBondContact O-N 2.87Å
308	P	90.1	Very high	92.8	Very high	108 Å²	108	47.7 Å²	47.7	70%	0.701	26%	0.257	S	S	*	.			trans	-80.7	48.1	-179.4	35.9	-37.8	0	0	0	112.6
309	V	91.3	Very high	92.7	Very high	80 Å²	80	51.4 Å²	51.4	49%	0.485	28%	0.275	S	S	.	.			trans	-90.7	138.2	176.4	-178.7	0	0	0	0	109.3	R307 G311 P317	R307-V309 HydrophobicContact CB-CG2 4.2Å; R307-V309 PolarHBondContact O-N 2.87Å; V309-G311 PolarHBondContact O-N 3.09Å; V309-P317 WeakPolarHBondContact O-CD 3.46Å
310	K	92.6	Very high	92.7	Very high	130 Å²	130	51.2 Å²	51.2	57%	0.565	27%	0.274	S	S	*	.			trans	-74.5	123.6	172.8	-72.4	-175.1	166	-134.9	0	109.9	G314 R315 T316	K310-G314 VanDerWaalsContact CD-O 3.28Å; K310-G314 WeakPolarHBondContact CD-O 3.44Å; K310-G314 WeakPolarHBondContact CE-O 3.21Å; K310-G314 PolarHBondContact NZ-O 3.34Å; K310-G314 VanDerWaalsContact NZ-O 3.13Å; K310-R315 WeakPolarHBondContact CA-O 3.46Å; K310-T316 HydrophobicContact CG-CG2 3.67Å
311	G	91.2	Very high	92.8	Very high	14 Å²	14	54.2 Å²	54.2	14%	0.144	29%	0.287	C	S	.	.			trans	-81.2	-172.1	176.9	0	0	0	0	0	112.8	V309 S313 G314 R315 Y393	V309-G311 PolarHBondContact O-N 3.09Å; G311-S313 PolarHBondContact O-N 3.38Å; G311-S313 VanDerWaalsContact O-N 3.13Å; G311-G314 PolarHBondContact O-N 2.99Å; G311-R315 PolarHBondContact N-O 3.11Å; G311-Y393 CarbonylContact C-O 3.46Å; G311-Y393 WeakPolarHBondContact CA-O 3.43Å
312	I	92.7	Very high	92.9	Very high	49 Å²	49	60.8 Å²	60.8	25%	0.251	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.7	178.7	-169.5	166.4	0	0	0	113.7	G314 W347 K351 F392 Y393	I312-G314 VanDerWaalsContact C-N 3.27Å; I312-G314 PolarHBondContact O-N 3.27Å; I312-W347 HydrophobicContact CB-CE3 4.42Å; I312-W347 HydrophobicContact CD1-CE3 3.89Å; I312-W347 HydrophobicContact CD1-CZ3 4.3Å; I312-W347 HydrophobicContact CG1-CE3 3.89Å; I312-W347 HydrophobicContact CG1-CZ3 3.97Å; I312-W347 HydrophobicContact CG2-CB 4.21Å; I312-W347 HydrophobicContact CG2-CD2 3.65Å; I312-W347 HydrophobicContact CG2-CE3 3.71Å; I312-W347 HydrophobicContact CG2-CG 3.88Å; I312-W347 HydrophobicContact CG2-CZ3 4.32Å; I312-K351 HydrophobicContact CD1-CD 4.3Å; I312-F392 HydrophobicContact CB-CD2 3.9Å; I312-F392 HydrophobicContact CB-CE2 4.41Å; I312-F392 HydrophobicContact CD1-CD2 4.15Å; I312-F392 HydrophobicContact CD1-CG 4.34Å; I312-F392 HydrophobicContact CG2-CD2 3.66Å; I312-F392 HydrophobicContact CG2-CE2 3.68Å; I312-Y393 PolarHBondContact N-O 3.19Å
313	S	92.1	Very high	93	Very high	12 Å²	12	61.9 Å²	61.9	8%	0.084	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.2	177.3	63.7	0	0	0	0	114.8	G311 R315 Y343	G311-S313 PolarHBondContact O-N 3.38Å; G311-S313 VanDerWaalsContact O-N 3.13Å; S313-R315 WeakPolarHBondContact O-CD 3.27Å; S313-R315 PolarHBondContact O-N 3.1Å; S313-R315 PolarHBondContact O-NH1 3.09Å; S313-Y343 WeakPolarHBondContact CB-OH 3.3Å; S313-Y343 PolarHBondContact OG-OH 3.21Å
314	G	92.1	Very high	93.1	Very high	38 Å²	38	60.4 Å²	60.4	39%	0.392	31%	0.311	S	S	.	.	S	Bend	trans	76.1	-3.6	-174.2	0	0	0	0	0	115.4	K310 G311 I312	K310-G314 VanDerWaalsContact CD-O 3.28Å; K310-G314 WeakPolarHBondContact CD-O 3.44Å; K310-G314 WeakPolarHBondContact CE-O 3.21Å; K310-G314 PolarHBondContact NZ-O 3.34Å; K310-G314 VanDerWaalsContact NZ-O 3.13Å; G311-G314 PolarHBondContact O-N 2.99Å; I312-G314 VanDerWaalsContact C-N 3.27Å; I312-G314 PolarHBondContact O-N 3.27Å
315	R	92.8	Very high	93.2	Very high	63 Å²	63	64.3 Å²	64.3	24%	0.238	33%	0.325	C	S	.	.			trans	-90.9	151.1	172	-68	87	173.5	140.3	-4	111.3	H74 K310 G311 S313 E319 E323	H74-R315 PolarHBondContact CD2-NH2 3.33Å; H74-R315 PolarHBondContact CE1-NE 3.06Å; H74-R315 PolarHBondContact ND1-NE 3.27Å; H74-R315 PolarHBondContact NE2-NE 3.48Å; H74-R315 PolarHBondContact NE2-NH2 3.04Å; K310-R315 WeakPolarHBondContact CA-O 3.46Å; G311-R315 PolarHBondContact N-O 3.11Å; S313-R315 WeakPolarHBondContact O-CD 3.27Å; S313-R315 PolarHBondContact O-N 3.1Å; S313-R315 PolarHBondContact O-NH1 3.09Å; R315-E319 HydrophobicContact CB-CB 4.24Å; R315-E319 HydrophobicContact CG-CB 4.44Å; R315-E323 IonicContact NE-OE1 3.73Å; R315-E323 IonicContact NE-OE2 3.32Å
316	T	95.6	Very high	93.3	Very high	20 Å²	20	69.8 Å²	69.8	12%	0.123	34%	0.342	C	S	.	.			trans	-82.6	160.1	162	62.2	0	0	0	0	110.7	K310 K318 E319 Y320	K310-T316 HydrophobicContact CG-CG2 3.67Å; T316-K318 PolarHBondContact O-N 3.34Å; T316-E319 WeakPolarHBondContact CB-OE2 3.49Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.42Å; T316-E319 PolarHBondContact N-OE2 3.1Å; T316-E319 PolarHBondContact O-N 3.49Å; T316-E319 VanDerWaalsContact OG1-CG 3.3Å; T316-E319 WeakPolarHBondContact OG1-CG 3.43Å; T316-E319 PolarHBondContact OG1-N 2.99Å; T316-E319 PolarHBondContact OG1-OE2 3.4Å; T316-Y320 PolarHBondContact O-N 3.44Å; T316-Y320 VanDerWaalsContact O-N 3.08Å
317	P	95.4	Very high	93.5	Very high	7 Å²	7	68.1 Å²	68.1	5%	0.045	33%	0.326	C	S	.	.	H	α-helix	trans	-54.9	-36.4	178.1	-27.2	34.4	0	0	0	113.9	S305 V309 E321 V395	S305-P317 WeakPolarHBondContact O-CB 3.26Å; V309-P317 WeakPolarHBondContact O-CD 3.46Å; P317-E321 VanDerWaalsContact O-CB 3.28Å; P317-E321 WeakPolarHBondContact O-CB 3.36Å; P317-E321 PolarHBondContact O-N 2.71Å; P317-V395 WeakPolarHBondContact CG-O 3.29Å
318	K	94.9	Very high	93.6	Very high	140 Å²	140	62 Å²	62	61%	0.609	30%	0.304	S	S	*	.	H	α-helix	trans	-76	-23.6	178.6	-67.9	-172.5	176.9	-176.3	0	114.4	T316 K322	T316-K318 PolarHBondContact O-N 3.34Å; K318-K322 WeakPolarHBondContact O-CD 3.29Å; K318-K322 WeakPolarHBondContact O-CG 3.23Å
319	E	95.3	Very high	93.6	Very high	79 Å²	79	64.4 Å²	64.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-75.7	-49.2	171.9	-73.3	159.3	154.3	0	0	109.1	R315 T316 E321 K322 E323	R315-E319 HydrophobicContact CB-CB 4.24Å; R315-E319 HydrophobicContact CG-CB 4.44Å; T316-E319 WeakPolarHBondContact CB-OE2 3.49Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.42Å; T316-E319 PolarHBondContact N-OE2 3.1Å; T316-E319 PolarHBondContact O-N 3.49Å; T316-E319 VanDerWaalsContact OG1-CG 3.3Å; T316-E319 WeakPolarHBondContact OG1-CG 3.43Å; T316-E319 PolarHBondContact OG1-N 2.99Å; T316-E319 PolarHBondContact OG1-OE2 3.4Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.17Å; E319-K322 PolarHBondContact O-N 3.15Å; E319-E323 WeakPolarHBondContact O-CG 3.49Å; E319-E323 PolarHBondContact O-N 3.09Å; E319-E323 VanDerWaalsContact O-N 3.1Å
320	Y	96	Very high	93.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-44.1	173.6	164	-106.9	0	0	0	112.9	A67 L304 T316 K322 E323 Y324 H339 Y343 V395	A67-Y320 WeakPolarHBondContact CB-OH 3.47Å; L304-Y320 HydrophobicContact CD2-CD1 4.07Å; L304-Y320 HydrophobicContact CD2-CE1 3.9Å; T316-Y320 PolarHBondContact O-N 3.44Å; T316-Y320 VanDerWaalsContact O-N 3.08Å; Y320-K322 VanDerWaalsContact C-N 3.29Å; Y320-K322 PolarHBondContact O-N 2.85Å; Y320-E323 PolarHBondContact O-N 2.92Å; Y320-Y324 WeakPolarHBondContact O-CB 3.3Å; Y320-Y324 PolarHBondContact O-N 3.32Å; Y320-H339 AromaticContact CE1-CE1 3.63Å; Y320-H339 AromaticContact CE1-ND1 3.57Å; Y320-H339 AromaticContact CZ-ND1 3.64Å; Y320-H339 PolarHBondContact OH-ND1 3.03Å; Y320-H339 PolarHBondContact OH-O 3.45Å; Y320-Y343 AromaticContact CD2-CD2 3.96Å; Y320-Y343 HydrophobicContact CD2-CD2 3.96Å; Y320-Y343 AromaticContact CD2-CE2 3.97Å; Y320-Y343 HydrophobicContact CD2-CE2 3.97Å; Y320-Y343 HydrophobicContact CD2-CG 4.32Å; Y320-Y343 HydrophobicContact CE2-CD1 4.39Å; Y320-Y343 AromaticContact CE2-CD2 3.34Å; Y320-Y343 HydrophobicContact CE2-CD2 3.34Å; Y320-Y343 AromaticContact CE2-CE2 3.8Å; Y320-Y343 HydrophobicContact CE2-CE2 3.8Å; Y320-Y343 AromaticContact CE2-CG 3.71Å; Y320-Y343 HydrophobicContact CE2-CG 3.71Å; Y320-Y343 AromaticContact CZ-CD2 3.99Å; Y320-Y343 AromaticContact CZ-CG 3.93Å; Y320-V395 HydrophobicContact CD1-CB 3.83Å; Y320-V395 HydrophobicContact CD1-CG1 3.84Å; Y320-V395 HydrophobicContact CD1-CG2 3.79Å; Y320-V395 HydrophobicContact CD2-CG1 4.48Å; Y320-V395 HydrophobicContact CE1-CB 4.33Å; Y320-V395 HydrophobicContact CE1-CG2 3.76Å; Y320-V395 HydrophobicContact CG-CB 4.31Å; Y320-V395 HydrophobicContact CG-CG1 3.8Å; Y320-V395 HydrophobicContact CG-CG2 4.48Å
321	E	95.4	Very high	93.1	Very high	73 Å²	73	65 Å²	65	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-42.1	178.3	-177.4	176.2	-140.9	0	0	111.8	L304 P317 E319 Y325	L304-E321 HydrophobicContact CD1-CB 3.99Å; L304-E321 HydrophobicContact CD1-CG 4.07Å; P317-E321 VanDerWaalsContact O-CB 3.28Å; P317-E321 WeakPolarHBondContact O-CB 3.36Å; P317-E321 PolarHBondContact O-N 2.71Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.17Å; E321-Y325 HydrophobicContact CG-CD2 3.8Å; E321-Y325 HydrophobicContact CG-CE2 3.67Å; E321-Y325 WeakPolarHBondContact O-CD2 3.4Å; E321-Y325 PolarHBondContact O-N 3.09Å
322	K	95.3	Very high	92.9	Very high	154 Å²	154	67.7 Å²	67.7	67%	0.67	33%	0.332	S	S	*	.	H	α-helix	trans	-67.6	-41.6	176.6	-69.7	170.9	-178.9	-179.8	0	112.6	K318 E319 Y320 R326	K318-K322 WeakPolarHBondContact O-CD 3.29Å; K318-K322 WeakPolarHBondContact O-CG 3.23Å; E319-K322 PolarHBondContact O-N 3.15Å; Y320-K322 VanDerWaalsContact C-N 3.29Å; Y320-K322 PolarHBondContact O-N 2.85Å; K322-R326 WeakPolarHBondContact O-CB 3.46Å; K322-R326 PolarHBondContact O-N 3.03Å
323	E	95.2	Very high	92.5	Very high	47 Å²	47	67.3 Å²	67.3	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-49.4	175.5	-69.1	166.1	174.3	0	0	110.1	L70 H74 R315 E319 Y320 Y325 R326 E327	L70-E323 HydrophobicContact CD1-CB 4.47Å; H74-E323 IonicContact CE1-OE2 3.36Å; H74-E323 PolarHBondContact CE1-OE2 2.85Å; H74-E323 IonicContact NE2-OE2 2.81Å; R315-E323 IonicContact NE-OE1 3.73Å; R315-E323 IonicContact NE-OE2 3.32Å; E319-E323 WeakPolarHBondContact O-CG 3.49Å; E319-E323 PolarHBondContact O-N 3.09Å; E319-E323 VanDerWaalsContact O-N 3.1Å; Y320-E323 PolarHBondContact O-N 2.92Å; E323-Y325 PolarHBondContact O-N 2.8Å; E323-R326 WeakPolarHBondContact O-CB 3.27Å; E323-R326 PolarHBondContact O-N 3.27Å; E323-R326 VanDerWaalsContact O-N 3.15Å; E323-E327 PolarHBondContact O-N 3.27Å; E323-E327 VanDerWaalsContact O-N 3.11Å
324	Y	95.4	Very high	92.3	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-46.4	177.2	172.1	-110.9	0	0	0	113.2	G63 P66 A67 Y320 R326 E327 L328 A335 S336 H339	G63-Y324 VanDerWaalsContact O-CE2 3.3Å; G63-Y324 WeakPolarHBondContact O-CE2 3.31Å; G63-Y324 PolarHBondContact O-OH 3.32Å; P66-Y324 HydrophobicContact CB-CD2 4.44Å; P66-Y324 HydrophobicContact CB-CE2 4.38Å; A67-Y324 HydrophobicContact CB-CD2 4.03Å; A67-Y324 HydrophobicContact CB-CE2 4.02Å; Y320-Y324 WeakPolarHBondContact O-CB 3.3Å; Y320-Y324 PolarHBondContact O-N 3.32Å; Y324-R326 VanDerWaalsContact C-N 3.29Å; Y324-R326 PolarHBondContact O-N 2.85Å; Y324-E327 PolarHBondContact O-N 3.29Å; Y324-L328 HydrophobicContact CD1-CD1 3.94Å; Y324-L328 HydrophobicContact CD2-CG 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.38Å; Y324-L328 HydrophobicContact CE1-CG 4.17Å; Y324-L328 HydrophobicContact CE2-CD1 4.11Å; Y324-L328 HydrophobicContact CE2-CD2 4.19Å; Y324-L328 HydrophobicContact CE2-CG 3.99Å; Y324-L328 VanDerWaalsContact CZ-CD1 3.48Å; Y324-L328 WeakPolarHBondContact O-CG 3.4Å; Y324-L328 PolarHBondContact O-N 2.7Å; Y324-A335 HydrophobicContact CE1-CB 4.28Å; Y324-S336 PolarHBondContact OH-N 3.3Å; Y324-S336 VanDerWaalsContact OH-N 3.15Å; Y324-H339 AromaticContact CD1-CE1 3.5Å; Y324-H339 VanDerWaalsContact CD1-CE1 3.5Å; Y324-H339 WeakPolarHBondContact CD1-CE1 3.44Å; Y324-H339 AromaticContact CD1-CG 3.89Å; Y324-H339 AromaticContact CD1-ND1 3.14Å; Y324-H339 WeakPolarHBondContact CD1-ND1 3.43Å; Y324-H339 HydrophobicContact CD2-CB 4.34Å; Y324-H339 AromaticContact CD2-ND1 3.89Å; Y324-H339 HydrophobicContact CE1-CB 3.87Å; Y324-H339 AromaticContact CE1-CE1 3.71Å; Y324-H339 AromaticContact CE1-CG 3.46Å; Y324-H339 VanDerWaalsContact CE1-CG 3.46Å; Y324-H339 AromaticContact CE1-ND1 3.23Å; Y324-H339 WeakPolarHBondContact CE1-ND1 3.4Å; Y324-H339 HydrophobicContact CE2-CB 3.68Å; Y324-H339 AromaticContact CE2-ND1 3.98Å; Y324-H339 AromaticContact CG-ND1 3.48Å; Y324-H339 AromaticContact CZ-CG 3.58Å; Y324-H339 AromaticContact CZ-ND1 3.67Å; Y324-H339 WeakPolarHBondContact OH-CB 3.43Å
325	Y	94.9	Very high	92.1	Very high	105 Å²	105	74.8 Å²	74.8	41%	0.412	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-30	176.5	-82.9	-63.1	0	0	0	113.3	E321 E323 L328 Q329 A335	E321-Y325 HydrophobicContact CG-CD2 3.8Å; E321-Y325 HydrophobicContact CG-CE2 3.67Å; E321-Y325 WeakPolarHBondContact O-CD2 3.4Å; E321-Y325 PolarHBondContact O-N 3.09Å; E323-Y325 PolarHBondContact O-N 2.8Å; Y325-L328 HydrophobicContact CD1-CD1 3.8Å; Y325-L328 HydrophobicContact CE1-CD1 4.06Å; Y325-Q329 VanDerWaalsContact O-CG 3.32Å; Y325-Q329 WeakPolarHBondContact O-CG 3.42Å; Y325-Q329 PolarHBondContact O-N 2.82Å; Y325-Q329 VanDerWaalsContact O-N 3.09Å; Y325-A335 HydrophobicContact CE1-CB 3.75Å
326	R	94.6	Very high	91.9	Very high	142 Å²	142	72.2 Å²	72.2	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-41.1	173.3	-170.2	-167.6	69.5	-172.8	-0.3	111.6	K322 E323 Y324 Q329 Q330	K322-R326 WeakPolarHBondContact O-CB 3.46Å; K322-R326 PolarHBondContact O-N 3.03Å; E323-R326 WeakPolarHBondContact O-CB 3.27Å; E323-R326 PolarHBondContact O-N 3.27Å; E323-R326 VanDerWaalsContact O-N 3.15Å; Y324-R326 VanDerWaalsContact C-N 3.29Å; Y324-R326 PolarHBondContact O-N 2.85Å; R326-Q329 PolarHBondContact O-N 3.07Å; R326-Q330 WeakPolarHBondContact O-CG 3.41Å; R326-Q330 PolarHBondContact O-N 3.31Å; R326-Q330 PolarHBondContact O-NE2 3.25Å
327	E	92	Very high	91.7	Very high	34 Å²	34	74.8 Å²	74.8	16%	0.159	37%	0.365	C	S	.	.	H	α-helix	trans	-71.3	-37.7	176.9	-59.1	-42.1	125.7	0	0	112.5	P66 L70 E323 Y324 Q329 Q330 K331	P66-E327 HydrophobicContact CB-CB 4.02Å; L70-E327 HydrophobicContact CD1-CG 3.88Å; L70-E327 HydrophobicContact CD2-CG 3.91Å; L70-E327 HydrophobicContact CG-CG 4.01Å; E323-E327 PolarHBondContact O-N 3.27Å; E323-E327 VanDerWaalsContact O-N 3.11Å; Y324-E327 PolarHBondContact O-N 3.29Å; E327-Q329 VanDerWaalsContact C-N 3.34Å; E327-Q329 PolarHBondContact O-N 3.06Å; E327-Q330 PolarHBondContact O-N 2.99Å; E327-Q330 PolarHBondContact OE1-NE2 3.2Å; E327-Q330 PolarHBondContact OE2-NE2 2.69Å; E327-Q330 VanDerWaalsContact OE2-NE2 3.07Å; E327-K331 PolarHBondContact O-N 3.41Å; E327-K331 VanDerWaalsContact O-N 3.12Å
328	L	91.2	Very high	91.6	Very high	8 Å²	8	75.3 Å²	75.3	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-44.3	171.8	-76.9	174.3	0	0	0	112.2	P66 Y324 Y325 Q330 K331 G332 V333 A335	P66-L328 HydrophobicContact CG-CD2 4.14Å; Y324-L328 HydrophobicContact CD1-CD1 3.94Å; Y324-L328 HydrophobicContact CD2-CG 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.38Å; Y324-L328 HydrophobicContact CE1-CG 4.17Å; Y324-L328 HydrophobicContact CE2-CD1 4.11Å; Y324-L328 HydrophobicContact CE2-CD2 4.19Å; Y324-L328 HydrophobicContact CE2-CG 3.99Å; Y324-L328 VanDerWaalsContact CZ-CD1 3.48Å; Y324-L328 WeakPolarHBondContact O-CG 3.4Å; Y324-L328 PolarHBondContact O-N 2.7Å; Y325-L328 HydrophobicContact CD1-CD1 3.8Å; Y325-L328 HydrophobicContact CE1-CD1 4.06Å; L328-Q330 VanDerWaalsContact C-N 3.34Å; L328-Q330 PolarHBondContact O-N 3Å; L328-K331 PolarHBondContact O-N 2.9Å; L328-G332 PolarHBondContact O-N 3.4Å; L328-V333 HydrophobicContact CD2-CB 4.12Å; L328-V333 HydrophobicContact CD2-CG1 4.31Å; L328-V333 PolarHBondContact O-N 3.01Å; L328-A335 HydrophobicContact CD1-CB 3.61Å
329	Q	89.8	Confident	91.6	Very high	158 Å²	158	69.1 Å²	69.1	74%	0.738	34%	0.34	S	S	*	.	H	α-helix	trans	-64.1	-37	178.6	-76.9	176.4	3	0	0	112.6	Y325 R326 E327	Y325-Q329 VanDerWaalsContact O-CG 3.32Å; Y325-Q329 WeakPolarHBondContact O-CG 3.42Å; Y325-Q329 PolarHBondContact O-N 2.82Å; Y325-Q329 VanDerWaalsContact O-N 3.09Å; R326-Q329 PolarHBondContact O-N 3.07Å; E327-Q329 VanDerWaalsContact C-N 3.34Å; E327-Q329 PolarHBondContact O-N 3.06Å
330	Q	88.3	Confident	91.6	Very high	132 Å²	132	65.4 Å²	65.4	62%	0.617	32%	0.323	S	S	*	.	H	α-helix	trans	-67.2	-35	175.6	-73.8	175.3	70.9	0	0	112.6	R326 E327 L328	R326-Q330 WeakPolarHBondContact O-CG 3.41Å; R326-Q330 PolarHBondContact O-N 3.31Å; R326-Q330 PolarHBondContact O-NE2 3.25Å; E327-Q330 PolarHBondContact O-N 2.99Å; E327-Q330 PolarHBondContact OE1-NE2 3.2Å; E327-Q330 PolarHBondContact OE2-NE2 2.69Å; E327-Q330 VanDerWaalsContact OE2-NE2 3.07Å; L328-Q330 VanDerWaalsContact C-N 3.34Å; L328-Q330 PolarHBondContact O-N 3Å
331	K	85.6	Confident	91.6	Very high	89 Å²	89	65.5 Å²	65.5	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-89.4	-14.9	179	-68.2	-168.3	179.2	-179.7	0	114.9	E65 P66 E327 L328 V333	E65-K331 IonicContact OE1-NZ 3.87Å; E65-K331 PolarHBondContact OE1-NZ 3.22Å; P66-K331 HydrophobicContact CG-CD 4.29Å; E327-K331 PolarHBondContact O-N 3.41Å; E327-K331 VanDerWaalsContact O-N 3.12Å; L328-K331 PolarHBondContact O-N 2.9Å; K331-V333 HydrophobicContact CB-CG2 3.93Å
332	G	86	Confident	91.6	Very high	72 Å²	72	62 Å²	62	74%	0.742	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	33.1	-178.5	0	0	0	0	0	114.3	L328	L328-G332 PolarHBondContact O-N 3.4Å
333	V	85.5	Confident	91.7	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.248	28%	0.275	C	S	.	.			trans	-112.5	149.4	-171.9	-178.8	0	0	0	0	111.7	Q62 L328 K331	Q62-V333 HydrophobicContact CB-CG1 3.67Å; L328-V333 HydrophobicContact CD2-CB 4.12Å; L328-V333 HydrophobicContact CD2-CG1 4.31Å; L328-V333 PolarHBondContact O-N 3.01Å; K331-V333 HydrophobicContact CB-CG2 3.93Å
334	E	86.2	Confident	91.7	Very high	153 Å²	153	52.5 Å²	52.5	72%	0.715	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-72.2	149.4	174.7	-65.1	-166.9	157.9	0	0	113.4	G63	G63-E334 WeakPolarHBondContact CA-O 3.46Å
335	A	87.9	Confident	91.8	Very high	54 Å²	54	52.5 Å²	52.5	45%	0.446	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-76.7	127	180	0	0	0	0	0	112.3	Y324 Y325 L328	Y324-A335 HydrophobicContact CE1-CB 4.28Å; Y325-A335 HydrophobicContact CE1-CB 3.75Å; L328-A335 HydrophobicContact CD1-CB 3.61Å
336	S	89.9	Confident	91.8	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-94.2	129.9	177.6	175	0	0	0	0	111	I60 Y324 F338 H339	I60-S336 PolarHBondContact O-OG 3.18Å; Y324-S336 PolarHBondContact OH-N 3.3Å; Y324-S336 VanDerWaalsContact OH-N 3.15Å; S336-F338 PolarHBondContact O-N 3.12Å; S336-F338 PolarHBondContact OG-N 2.84Å; S336-H339 WeakPolarHBondContact O-CB 3.44Å; S336-H339 PolarHBondContact O-CD2 3Å; S336-H339 PolarHBondContact O-N 2.87Å; S336-H339 VanDerWaalsContact O-N 3.1Å
337	K	90.7	Very high	91.9	Very high	74 Å²	74	40.8 Å²	40.8	32%	0.322	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.8	178.3	77	170.4	-173.7	167	0	114.6	D300 F301	D300-K337 IonicContact OD1-NZ 2.69Å; F301-K337 HydrophobicContact CE2-CD 4.47Å; F301-K337 HydrophobicContact CZ-CD 4.35Å
338	F	93.6	Very high	92.1	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.079	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.5	-179.6	-58.7	-84.9	0	0	0	114.1	I60 I64 F142 A143 T145 V162 F301 S336 G340 F341 A342	I60-F338 HydrophobicContact CD1-CD2 4.46Å; I60-F338 HydrophobicContact CD1-CE2 4.06Å; I60-F338 HydrophobicContact CG2-CD2 3.85Å; I60-F338 HydrophobicContact CG2-CE2 4.42Å; I64-F338 HydrophobicContact CD1-CB 3.79Å; F142-F338 HydrophobicContact CD2-CB 4.45Å; F142-F338 WeakPolarHBondContact O-CD1 3.38Å; A143-F338 HydrophobicContact CB-CD1 4.1Å; A143-F338 HydrophobicContact CB-CD2 4.46Å; A143-F338 HydrophobicContact CB-CE1 4.27Å; A143-F338 HydrophobicContact CB-CG 4.18Å; T145-F338 HydrophobicContact CG2-CE1 4.3Å; V162-F338 HydrophobicContact CG2-CD1 4.21Å; V162-F338 HydrophobicContact CG2-CE1 4.07Å; F301-F338 HydrophobicContact CE1-CE1 4.47Å; F301-F338 HydrophobicContact CE2-CE1 4.49Å; F301-F338 HydrophobicContact CZ-CD1 4.31Å; F301-F338 AromaticContact CZ-CE1 3.69Å; F301-F338 HydrophobicContact CZ-CE1 3.69Å; F301-F338 HydrophobicContact CZ-CZ 4.25Å; S336-F338 PolarHBondContact O-N 3.12Å; S336-F338 PolarHBondContact OG-N 2.84Å; F338-G340 PolarHBondContact O-N 3.12Å; F338-F341 HydrophobicContact CD1-CD2 4.34Å; F338-F341 PolarHBondContact O-N 3.37Å; F338-A342 PolarHBondContact O-N 3.04Å
339	H	94.6	Very high	92.2	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-54.9	-45.6	-174.4	75.7	114.8	0	0	0	114	A67 Y320 Y324 S336 F341 A342 Y343	A67-H339 HydrophobicContact CB-CB 3.99Å; Y320-H339 AromaticContact CE1-CE1 3.63Å; Y320-H339 AromaticContact CE1-ND1 3.57Å; Y320-H339 AromaticContact CZ-ND1 3.64Å; Y320-H339 PolarHBondContact OH-ND1 3.03Å; Y320-H339 PolarHBondContact OH-O 3.45Å; Y324-H339 AromaticContact CD1-CE1 3.5Å; Y324-H339 VanDerWaalsContact CD1-CE1 3.5Å; Y324-H339 WeakPolarHBondContact CD1-CE1 3.44Å; Y324-H339 AromaticContact CD1-CG 3.89Å; Y324-H339 AromaticContact CD1-ND1 3.14Å; Y324-H339 WeakPolarHBondContact CD1-ND1 3.43Å; Y324-H339 HydrophobicContact CD2-CB 4.34Å; Y324-H339 AromaticContact CD2-ND1 3.89Å; Y324-H339 HydrophobicContact CE1-CB 3.87Å; Y324-H339 AromaticContact CE1-CE1 3.71Å; Y324-H339 AromaticContact CE1-CG 3.46Å; Y324-H339 VanDerWaalsContact CE1-CG 3.46Å; Y324-H339 AromaticContact CE1-ND1 3.23Å; Y324-H339 WeakPolarHBondContact CE1-ND1 3.4Å; Y324-H339 HydrophobicContact CE2-CB 3.68Å; Y324-H339 AromaticContact CE2-ND1 3.98Å; Y324-H339 AromaticContact CG-ND1 3.48Å; Y324-H339 AromaticContact CZ-CG 3.58Å; Y324-H339 AromaticContact CZ-ND1 3.67Å; Y324-H339 WeakPolarHBondContact OH-CB 3.43Å; S336-H339 WeakPolarHBondContact O-CB 3.44Å; S336-H339 PolarHBondContact O-CD2 3Å; S336-H339 PolarHBondContact O-N 2.87Å; S336-H339 VanDerWaalsContact O-N 3.1Å; H339-F341 PolarHBondContact O-N 2.94Å; H339-A342 PolarHBondContact O-N 3.06Å; H339-Y343 WeakPolarHBondContact O-CB 3.34Å; H339-Y343 PolarHBondContact O-N 3.36Å
340	G	95.6	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-37.2	176.5	0	0	0	0	0	113.5	F338 A342 Y343 D344	F338-G340 PolarHBondContact O-N 3.12Å; G340-A342 VanDerWaalsContact C-N 3.34Å; G340-Y343 PolarHBondContact O-N 3.25Å; G340-D344 PolarHBondContact O-N 3.3Å
341	F	96.1	Very high	92.7	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-69.1	-32.2	177.5	-63.3	-65.8	0	0	0	112.6	F142 T161 V162 F301 F338 H339 G345 T396 R406	F142-F341 HydrophobicContact CB-CB 4.34Å; T161-F341 WeakPolarHBondContact CB-O 3.35Å; T161-F341 WeakPolarHBondContact O-CD1 3.14Å; T161-F341 PolarHBondContact OG1-O 2.72Å; V162-F341 HydrophobicContact CB-CD1 4.46Å; V162-F341 HydrophobicContact CB-CG 4.29Å; V162-F341 HydrophobicContact CG2-CD2 4.22Å; V162-F341 HydrophobicContact CG2-CE2 4.27Å; V162-F341 HydrophobicContact CG2-CG 4.45Å; V162-F341 HydrophobicContact CG2-CZ 4.5Å; F301-F341 AromaticContact CD2-CE2 3.57Å; F301-F341 HydrophobicContact CD2-CE2 3.57Å; F301-F341 AromaticContact CD2-CZ 3.72Å; F301-F341 HydrophobicContact CD2-CZ 3.72Å; F301-F341 HydrophobicContact CE2-CD2 4.42Å; F301-F341 AromaticContact CE2-CE2 3.52Å; F301-F341 HydrophobicContact CE2-CE2 3.52Å; F301-F341 HydrophobicContact CE2-CZ 4.15Å; F301-F341 HydrophobicContact CG-CZ 4.44Å; F301-F341 HydrophobicContact CZ-CE2 4.49Å; F338-F341 HydrophobicContact CD1-CD2 4.34Å; F338-F341 PolarHBondContact O-N 3.37Å; H339-F341 PolarHBondContact O-N 2.94Å; F341-G345 PolarHBondContact O-N 3.33Å; F341-G345 VanDerWaalsContact O-N 3.13Å; F341-T396 HydrophobicContact CD1-CG2 4.01Å; F341-T396 HydrophobicContact CE1-CG2 4.11Å; F341-T396 HydrophobicContact CG-CG2 4.39Å; F341-R406 VanDerWaalsContact CD1-NH1 3.27Å
342	A	95.8	Very high	93.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-73	-44.7	172.5	0	0	0	0	0	111.7	I64 V68 F117 F142 F338 H339 G340 D344 G345 I346	I64-A342 HydrophobicContact CG2-CB 3.43Å; I64-A342 VanDerWaalsContact CG2-CB 3.43Å; V68-A342 HydrophobicContact CG2-CB 4.32Å; F117-A342 HydrophobicContact CZ-CB 4.17Å; F142-A342 HydrophobicContact CB-CB 4.17Å; F142-A342 HydrophobicContact CD1-CB 4.2Å; F142-A342 HydrophobicContact CD2-CB 4.35Å; F142-A342 HydrophobicContact CG-CB 3.96Å; F338-A342 PolarHBondContact O-N 3.04Å; H339-A342 PolarHBondContact O-N 3.06Å; G340-A342 VanDerWaalsContact C-N 3.34Å; A342-D344 PolarHBondContact O-N 2.85Å; A342-G345 WeakPolarHBondContact O-CA 3.33Å; A342-G345 PolarHBondContact O-N 2.96Å; A342-G345 VanDerWaalsContact O-N 3.09Å; A342-I346 PolarHBondContact O-N 3.3Å; A342-I346 VanDerWaalsContact O-N 3.08Å
343	Y	96.3	Very high	93.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-54.1	-54.2	174.6	-176.9	-88.8	0	0	0	111.6	A67 L70 A71 H74 S313 Y320 H339 G340 G345 I346 W347 V395	A67-Y343 WeakPolarHBondContact O-CD2 3.29Å; L70-Y343 HydrophobicContact CB-CE2 4.39Å; A71-Y343 HydrophobicContact CB-CD2 3.64Å; A71-Y343 HydrophobicContact CB-CE2 3.75Å; A71-Y343 HydrophobicContact CB-CG 4.27Å; H74-Y343 AromaticContact ND1-CE2 3.94Å; H74-Y343 AromaticContact ND1-CZ 3.85Å; H74-Y343 PolarHBondContact ND1-OH 3.16Å; S313-Y343 WeakPolarHBondContact CB-OH 3.3Å; S313-Y343 PolarHBondContact OG-OH 3.21Å; Y320-Y343 AromaticContact CD2-CD2 3.96Å; Y320-Y343 HydrophobicContact CD2-CD2 3.96Å; Y320-Y343 AromaticContact CD2-CE2 3.97Å; Y320-Y343 HydrophobicContact CD2-CE2 3.97Å; Y320-Y343 HydrophobicContact CD2-CG 4.32Å; Y320-Y343 HydrophobicContact CE2-CD1 4.39Å; Y320-Y343 AromaticContact CE2-CD2 3.34Å; Y320-Y343 HydrophobicContact CE2-CD2 3.34Å; Y320-Y343 AromaticContact CE2-CE2 3.8Å; Y320-Y343 HydrophobicContact CE2-CE2 3.8Å; Y320-Y343 AromaticContact CE2-CG 3.71Å; Y320-Y343 HydrophobicContact CE2-CG 3.71Å; Y320-Y343 AromaticContact CZ-CD2 3.99Å; Y320-Y343 AromaticContact CZ-CG 3.93Å; H339-Y343 WeakPolarHBondContact O-CB 3.34Å; H339-Y343 PolarHBondContact O-N 3.36Å; G340-Y343 PolarHBondContact O-N 3.25Å; Y343-G345 PolarHBondContact O-N 3.18Å; Y343-I346 PolarHBondContact O-N 3.01Å; Y343-W347 AromaticContact CD1-CD1 3.88Å; Y343-W347 AromaticContact CE1-CD1 3.48Å; Y343-W347 VanDerWaalsContact CE1-CD1 3.48Å; Y343-W347 AromaticContact CE1-NE1 3.29Å; Y343-W347 VanDerWaalsContact CE1-NE1 3.29Å; Y343-W347 AromaticContact CZ-CD1 3.88Å; Y343-W347 AromaticContact CZ-NE1 3.25Å; Y343-W347 VanDerWaalsContact CZ-NE1 3.25Å; Y343-W347 PolarHBondContact O-N 2.9Å; Y343-W347 PolarHBondContact OH-NE1 2.82Å; Y343-W347 VanDerWaalsContact OH-NE1 3.07Å; Y343-V395 HydrophobicContact CD1-CG1 3.85Å; Y343-V395 HydrophobicContact CD1-CG2 3.83Å; Y343-V395 HydrophobicContact CE1-CG1 3.78Å; Y343-V395 HydrophobicContact CG-CG2 4.42Å
344	D	96.8	Very high	93.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-28.8	177.7	-73.1	-21.2	0	0	0	112.2	G340 A342 W347 V348 G394 V395 T396 V399	G340-D344 PolarHBondContact O-N 3.3Å; A342-D344 PolarHBondContact O-N 2.85Å; D344-W347 PolarHBondContact O-N 2.89Å; D344-V348 WeakPolarHBondContact O-CG2 3.46Å; D344-V348 PolarHBondContact O-N 2.9Å; D344-G394 WeakPolarHBondContact OD1-CA 3.47Å; D344-V395 PolarHBondContact OD1-N 2.61Å; D344-V395 PolarHBondContact OD2-N 2.85Å; D344-T396 WeakPolarHBondContact OD2-CB 3.36Å; D344-T396 WeakPolarHBondContact OD2-CG2 3.34Å; D344-T396 PolarHBondContact OD2-N 3.44Å; D344-T396 PolarHBondContact OD2-OG1 2.98Å; D344-V399 HydrophobicContact CB-CG2 4.15Å
345	G	95.9	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-37.2	175.3	0	0	0	0	0	114.3	L140 F341 A342 Y343 W347 V348 I349	L140-G345 WeakPolarHBondContact CD2-O 3.42Å; F341-G345 PolarHBondContact O-N 3.33Å; F341-G345 VanDerWaalsContact O-N 3.13Å; A342-G345 WeakPolarHBondContact O-CA 3.33Å; A342-G345 PolarHBondContact O-N 2.96Å; A342-G345 VanDerWaalsContact O-N 3.09Å; Y343-G345 PolarHBondContact O-N 3.18Å; G345-W347 VanDerWaalsContact C-N 3.34Å; G345-V348 WeakPolarHBondContact O-CB 3.47Å; G345-V348 PolarHBondContact O-N 3.35Å; G345-I349 WeakPolarHBondContact O-CG1 3.42Å; G345-I349 PolarHBondContact O-N 3.28Å
346	I	95.8	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.4	-38.8	172.9	-61.3	-60.6	0	0	0	110.6	V68 A71 I72 I75 L85 F117 A342 Y343 I349 A350	V68-I346 HydrophobicContact CB-CG1 4.49Å; V68-I346 HydrophobicContact CG1-CD1 3.98Å; V68-I346 HydrophobicContact CG1-CG1 4.1Å; V68-I346 HydrophobicContact CG2-CG1 4.28Å; A71-I346 HydrophobicContact CB-CB 3.72Å; A71-I346 HydrophobicContact CB-CG1 4.2Å; A71-I346 HydrophobicContact CB-CG2 3.77Å; I72-I346 HydrophobicContact CG1-CG2 4.13Å; I75-I346 HydrophobicContact CD1-CG2 3.7Å; L85-I346 HydrophobicContact CD1-CG2 4.24Å; F117-I346 HydrophobicContact CD1-CD1 3.85Å; F117-I346 HydrophobicContact CE1-CD1 3.57Å; F117-I346 HydrophobicContact CE1-CG1 4.2Å; F117-I346 HydrophobicContact CE2-CD1 4.33Å; F117-I346 HydrophobicContact CG-CD1 4.33Å; F117-I346 HydrophobicContact CZ-CD1 3.81Å; F117-I346 HydrophobicContact CZ-CG1 4.11Å; A342-I346 PolarHBondContact O-N 3.3Å; A342-I346 VanDerWaalsContact O-N 3.08Å; Y343-I346 PolarHBondContact O-N 3.01Å; I346-I349 PolarHBondContact O-N 2.88Å; I346-A350 PolarHBondContact O-N 3.41Å
347	W	95.8	Very high	93.8	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-65	-37.9	172.7	-78.1	99.2	0	0	0	113.3	H74 I75 Y81 I312 Y343 D344 G345 I349 A350 K351 F392	H74-W347 HydrophobicContact CB-CZ2 3.94Å; I75-W347 HydrophobicContact CD1-CD2 4.24Å; I75-W347 HydrophobicContact CD1-CE3 4.46Å; I75-W347 HydrophobicContact CG1-CD2 3.95Å; I75-W347 HydrophobicContact CG1-CE3 3.92Å; I75-W347 HydrophobicContact CG1-CH2 3.72Å; I75-W347 HydrophobicContact CG1-CZ2 3.73Å; I75-W347 HydrophobicContact CG1-CZ3 3.82Å; Y81-W347 AromaticContact CE2-CZ3 3.96Å; Y81-W347 HydrophobicContact CE2-CZ3 3.96Å; I312-W347 HydrophobicContact CB-CE3 4.42Å; I312-W347 HydrophobicContact CD1-CE3 3.89Å; I312-W347 HydrophobicContact CD1-CZ3 4.3Å; I312-W347 HydrophobicContact CG1-CE3 3.89Å; I312-W347 HydrophobicContact CG1-CZ3 3.97Å; I312-W347 HydrophobicContact CG2-CB 4.21Å; I312-W347 HydrophobicContact CG2-CD2 3.65Å; I312-W347 HydrophobicContact CG2-CE3 3.71Å; I312-W347 HydrophobicContact CG2-CG 3.88Å; I312-W347 HydrophobicContact CG2-CZ3 4.32Å; Y343-W347 AromaticContact CD1-CD1 3.88Å; Y343-W347 AromaticContact CE1-CD1 3.48Å; Y343-W347 VanDerWaalsContact CE1-CD1 3.48Å; Y343-W347 AromaticContact CE1-NE1 3.29Å; Y343-W347 VanDerWaalsContact CE1-NE1 3.29Å; Y343-W347 AromaticContact CZ-CD1 3.88Å; Y343-W347 AromaticContact CZ-NE1 3.25Å; Y343-W347 VanDerWaalsContact CZ-NE1 3.25Å; Y343-W347 PolarHBondContact O-N 2.9Å; Y343-W347 PolarHBondContact OH-NE1 2.82Å; Y343-W347 VanDerWaalsContact OH-NE1 3.07Å; D344-W347 PolarHBondContact O-N 2.89Å; G345-W347 VanDerWaalsContact C-N 3.34Å; W347-I349 VanDerWaalsContact C-N 3.34Å; W347-A350 PolarHBondContact O-N 2.84Å; W347-K351 VanDerWaalsContact O-CB 3.31Å; W347-K351 WeakPolarHBondContact O-CB 3.38Å; W347-K351 PolarHBondContact O-N 2.76Å; W347-F392 HydrophobicContact CB-CE2 4.07Å; W347-F392 HydrophobicContact CB-CZ 3.96Å
348	V	95.9	Very high	93.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.3	-48.1	170.6	168.9	0	0	0	0	110.4	L140 T161 D344 G345 T352 M387 F392 V399 F401	L140-V348 HydrophobicContact CD2-CB 4.05Å; L140-V348 HydrophobicContact CD2-CG1 3.89Å; T161-V348 HydrophobicContact CG2-CG2 4.45Å; D344-V348 WeakPolarHBondContact O-CG2 3.46Å; D344-V348 PolarHBondContact O-N 2.9Å; G345-V348 WeakPolarHBondContact O-CB 3.47Å; G345-V348 PolarHBondContact O-N 3.35Å; V348-T352 VanDerWaalsContact O-CB 3.25Å; V348-T352 WeakPolarHBondContact O-CB 3.48Å; V348-T352 PolarHBondContact O-N 3.08Å; V348-T352 PolarHBondContact O-OG1 2.74Å; V348-M387 HydrophobicContact CG1-SD 4.06Å; V348-F392 HydrophobicContact CG2-CE1 3.74Å; V348-F392 HydrophobicContact CG2-CZ 3.82Å; V348-V399 HydrophobicContact CG2-CG1 3.69Å; V348-F401 HydrophobicContact CG1-CE2 3.99Å; V348-F401 HydrophobicContact CG1-CZ 4.24Å; V348-F401 HydrophobicContact CG2-CE2 4.31Å; V348-F401 HydrophobicContact CG2-CZ 4.18Å
349	I	94.7	Very high	93.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-48	-179.3	-67.2	165	0	0	0	110.9	I45 M115 F117 L140 G345 I346 W347 K351 T352 L353	I45-I349 HydrophobicContact CD1-CG2 3.61Å; I45-I349 HydrophobicContact CG1-CG2 4.24Å; I45-I349 HydrophobicContact CG2-CD1 4.48Å; M115-I349 HydrophobicContact CE-CG1 4.06Å; M115-I349 HydrophobicContact SD-CB 4.44Å; M115-I349 HydrophobicContact SD-CG1 4.16Å; M115-I349 HydrophobicContact SD-CG2 3.91Å; F117-I349 HydrophobicContact CB-CD1 3.97Å; F117-I349 HydrophobicContact CD2-CD1 3.63Å; F117-I349 HydrophobicContact CE2-CD1 4.35Å; F117-I349 HydrophobicContact CG-CD1 3.99Å; L140-I349 HydrophobicContact CD2-CD1 4.12Å; L140-I349 HydrophobicContact CD2-CG1 3.88Å; G345-I349 WeakPolarHBondContact O-CG1 3.42Å; G345-I349 PolarHBondContact O-N 3.28Å; I346-I349 PolarHBondContact O-N 2.88Å; W347-I349 VanDerWaalsContact C-N 3.34Å; I349-K351 PolarHBondContact O-N 3.29Å; I349-T352 PolarHBondContact O-N 2.83Å; I349-L353 HydrophobicContact CG2-CD1 3.61Å; I349-L353 HydrophobicContact CG2-CG 4.16Å; I349-L353 WeakPolarHBondContact O-CB 3.14Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.13Å
350	A	94	Very high	93	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-49.3	178.4	0	0	0	0	0	112.3	I75 Y81 L85 I346 W347 T352 L353 N354	I75-A350 HydrophobicContact CD1-CB 3.73Å; I75-A350 HydrophobicContact CG1-CB 4.36Å; I75-A350 HydrophobicContact CG2-CB 4.5Å; Y81-A350 HydrophobicContact CD1-CB 4.37Å; Y81-A350 HydrophobicContact CE1-CB 4.18Å; L85-A350 HydrophobicContact CD1-CB 4.04Å; I346-A350 PolarHBondContact O-N 3.41Å; W347-A350 PolarHBondContact O-N 2.84Å; A350-T352 PolarHBondContact O-N 2.98Å; A350-L353 PolarHBondContact O-N 2.9Å; A350-N354 WeakPolarHBondContact O-CB 3.12Å; A350-N354 PolarHBondContact O-N 2.89Å
351	K	93.8	Very high	92.4	Very high	71 Å²	71	21.4 Å²	21.4	31%	0.309	9%	0.093	S	C	.	.	H	α-helix	trans	-62.3	-41.3	178.3	-172.5	170.6	-176.7	172.5	0	112.1	I312 W347 I349 R355 N391 F392	I312-K351 HydrophobicContact CD1-CD 4.3Å; W347-K351 VanDerWaalsContact O-CB 3.31Å; W347-K351 WeakPolarHBondContact O-CB 3.38Å; W347-K351 PolarHBondContact O-N 2.76Å; I349-K351 PolarHBondContact O-N 3.29Å; K351-R355 WeakPolarHBondContact O-CB 3.26Å; K351-R355 PolarHBondContact O-N 2.91Å; K351-R355 VanDerWaalsContact O-N 3.08Å; K351-N391 PolarHBondContact NZ-O 2.97Å; K351-F392 HydrophobicContact CD-CD1 4.03Å; K351-F392 HydrophobicContact CD-CE1 4.49Å
352	T	93.8	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-52.4	178	-59.8	0	0	0	0	111.2	V348 I349 A350 N354 R355 V356 V383 V386 M387	V348-T352 VanDerWaalsContact O-CB 3.25Å; V348-T352 WeakPolarHBondContact O-CB 3.48Å; V348-T352 PolarHBondContact O-N 3.08Å; V348-T352 PolarHBondContact O-OG1 2.74Å; I349-T352 PolarHBondContact O-N 2.83Å; A350-T352 PolarHBondContact O-N 2.98Å; T352-N354 VanDerWaalsContact C-N 3.34Å; T352-N354 PolarHBondContact O-N 3.03Å; T352-R355 PolarHBondContact O-N 3.31Å; T352-V356 HydrophobicContact CG2-CG2 4.46Å; T352-V356 WeakPolarHBondContact O-CG2 3.43Å; T352-V356 PolarHBondContact O-N 3.06Å; T352-V383 HydrophobicContact CG2-CG1 4.06Å; T352-V386 HydrophobicContact CG2-CB 4.3Å; T352-V386 HydrophobicContact CG2-CG1 3.89Å; T352-M387 HydrophobicContact CG2-CG 3.64Å
353	L	90.7	Very high	91.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-38	-178.6	-67.5	175.9	0	0	0	112	F36 L43 F83 L85 L114 M115 I349 A350 R357	F36-L353 HydrophobicContact CE2-CD2 4.32Å; F36-L353 HydrophobicContact CZ-CB 4.33Å; F36-L353 HydrophobicContact CZ-CD2 4.26Å; F36-L353 WeakPolarHBondContact CZ-O 3.31Å; L43-L353 HydrophobicContact CD1-CB 4.4Å; L43-L353 HydrophobicContact CD1-CD1 3.98Å; F83-L353 HydrophobicContact CZ-CB 4.35Å; L85-L353 HydrophobicContact CD2-CD1 4.18Å; L114-L353 HydrophobicContact CB-CD2 4.27Å; L114-L353 HydrophobicContact CD1-CD1 4.48Å; L114-L353 HydrophobicContact CD1-CD2 4.14Å; M115-L353 HydrophobicContact CG-CD2 4.5Å; M115-L353 HydrophobicContact SD-CD2 4.14Å; M115-L353 HydrophobicContact SD-CG 4.29Å; I349-L353 HydrophobicContact CG2-CD1 3.61Å; I349-L353 HydrophobicContact CG2-CG 4.16Å; I349-L353 WeakPolarHBondContact O-CB 3.14Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.13Å; A350-L353 PolarHBondContact O-N 2.9Å; L353-R357 WeakPolarHBondContact O-CB 3.47Å; L353-R357 PolarHBondContact O-N 2.88Å
354	N	91.8	Very high	90.2	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.15	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-47.4	173.6	-167.7	50.8	0	0	0	111.5	Y81 F83 A350 T352 R357 E358	Y81-N354 HydrophobicContact CD1-CB 3.83Å; Y81-N354 HydrophobicContact CE1-CB 3.84Å; F83-N354 HydrophobicContact CE1-CB 3.95Å; F83-N354 HydrophobicContact CZ-CB 4.22Å; A350-N354 WeakPolarHBondContact O-CB 3.12Å; A350-N354 PolarHBondContact O-N 2.89Å; T352-N354 VanDerWaalsContact C-N 3.34Å; T352-N354 PolarHBondContact O-N 3.03Å; N354-R357 WeakPolarHBondContact O-CB 3.49Å; N354-R357 PolarHBondContact O-N 2.81Å; N354-R357 VanDerWaalsContact O-N 3.16Å; N354-E358 PolarHBondContact O-N 2.83Å
355	R	92.3	Very high	89.2	Confident	116 Å²	116	40.6 Å²	40.6	44%	0.438	18%	0.179	S	C	.	.	H	α-helix	trans	-66	-40.2	-179.3	-176.7	56.5	175.6	169.9	2	112.8	K351 T352 R357 E358 L359 V386	K351-R355 WeakPolarHBondContact O-CB 3.26Å; K351-R355 PolarHBondContact O-N 2.91Å; K351-R355 VanDerWaalsContact O-N 3.08Å; T352-R355 PolarHBondContact O-N 3.31Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.86Å; R355-E358 VanDerWaalsContact CD-OE2 3.25Å; R355-E358 WeakPolarHBondContact CD-OE2 3.25Å; R355-E358 IonicContact CZ-OE2 2.63Å; R355-E358 IonicContact NE-OE2 2.75Å; R355-E358 IonicContact NH1-OE2 2.64Å; R355-E358 PolarHBondContact NH1-OE2 2.93Å; R355-E358 WeakPolarHBondContact O-CB 3.36Å; R355-E358 PolarHBondContact O-N 2.78Å; R355-L359 WeakPolarHBondContact O-CG 3.39Å; R355-L359 PolarHBondContact O-N 2.9Å; R355-L359 VanDerWaalsContact O-N 3.09Å; R355-V386 HydrophobicContact CB-CG1 3.86Å; R355-V386 HydrophobicContact CG-CG1 3.86Å; R355-V386 HydrophobicContact CG-CG2 4.07Å
356	V	89.8	Confident	88	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-38.8	172.9	172.7	0	0	0	0	110.9	F36 T352 L359 L360 M382 V383 V386	F36-V356 HydrophobicContact CE1-CG1 4.29Å; T352-V356 HydrophobicContact CG2-CG2 4.46Å; T352-V356 WeakPolarHBondContact O-CG2 3.43Å; T352-V356 PolarHBondContact O-N 3.06Å; V356-L359 PolarHBondContact O-N 3.31Å; V356-L360 HydrophobicContact CG1-CD1 3.95Å; V356-L360 HydrophobicContact CG1-CG 4.44Å; V356-L360 WeakPolarHBondContact O-CB 3.43Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 3.39Å; V356-M382 HydrophobicContact CG1-CB 4.19Å; V356-M382 HydrophobicContact CG2-CB 4.29Å; V356-V383 HydrophobicContact CG1-CG2 4.48Å; V356-V383 HydrophobicContact CG2-CG2 4.01Å; V356-V386 HydrophobicContact CG2-CB 4.13Å; V356-V386 HydrophobicContact CG2-CG1 4.46Å; V356-V386 HydrophobicContact CG2-CG2 3.9Å
357	R	86.9	Confident	86.6	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175.5	-170.2	-179.2	-69.3	-172.8	-5.9	112.9	F36 L37 L353 N354 R355 L360 R361	F36-R357 HydrophobicContact CD1-CB 4.47Å; F36-R357 HydrophobicContact CE1-CB 3.69Å; F36-R357 HydrophobicContact CE1-CG 4.21Å; F36-R357 HydrophobicContact CZ-CB 4.13Å; F36-R357 PolarHBondContact O-NE 2.88Å; F36-R357 PolarHBondContact O-NH2 2.91Å; F36-R357 VanDerWaalsContact O-NH2 3.15Å; L37-R357 HydrophobicContact CD2-CG 4.28Å; L353-R357 WeakPolarHBondContact O-CB 3.47Å; L353-R357 PolarHBondContact O-N 2.88Å; N354-R357 WeakPolarHBondContact O-CB 3.49Å; N354-R357 PolarHBondContact O-N 2.81Å; N354-R357 VanDerWaalsContact O-N 3.16Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.86Å; R357-L360 PolarHBondContact O-N 3.04Å; R357-R361 WeakPolarHBondContact O-CB 3.3Å; R357-R361 WeakPolarHBondContact O-CG 3.04Å; R357-R361 PolarHBondContact O-N 3.33Å
358	E	88.4	Confident	84.6	Confident	81 Å²	81	57.4 Å²	57.4	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-44.2	173.5	-69.3	173.4	173.6	0	0	112.2	N354 R355 R361 T362	N354-E358 PolarHBondContact O-N 2.83Å; R355-E358 VanDerWaalsContact CD-OE2 3.25Å; R355-E358 WeakPolarHBondContact CD-OE2 3.25Å; R355-E358 IonicContact CZ-OE2 2.63Å; R355-E358 IonicContact NE-OE2 2.75Å; R355-E358 IonicContact NH1-OE2 2.64Å; R355-E358 PolarHBondContact NH1-OE2 2.93Å; R355-E358 WeakPolarHBondContact O-CB 3.36Å; R355-E358 PolarHBondContact O-N 2.78Å; E358-R361 PolarHBondContact O-N 2.91Å; E358-T362 WeakPolarHBondContact O-CB 3.42Å; E358-T362 PolarHBondContact O-N 3.44Å; E358-T362 PolarHBondContact O-OG1 2.77Å
359	L	88.3	Confident	82.3	Confident	63 Å²	63	67.3 Å²	67.3	33%	0.33	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-46.2	177.4	-67.2	172.1	0	0	0	111.1	R355 V356 T362 K363 V386	R355-L359 WeakPolarHBondContact O-CG 3.39Å; R355-L359 PolarHBondContact O-N 2.9Å; R355-L359 VanDerWaalsContact O-N 3.09Å; V356-L359 PolarHBondContact O-N 3.31Å; L359-T362 WeakPolarHBondContact O-CB 3.36Å; L359-T362 PolarHBondContact O-N 3.43Å; L359-T362 VanDerWaalsContact O-N 3.17Å; L359-K363 PolarHBondContact O-N 2.76Å; L359-V386 HydrophobicContact CD1-CG2 3.82Å
360	L	84.6	Confident	80.1	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-45.5	175.5	-76.8	168.1	0	0	0	112.4	F36 L37 V356 R357 T362 K363 E364 F372 V374 V379 M382	F36-L360 HydrophobicContact CD1-CD1 3.68Å; F36-L360 HydrophobicContact CE1-CD1 3.9Å; L37-L360 HydrophobicContact CD2-CB 3.85Å; V356-L360 HydrophobicContact CG1-CD1 3.95Å; V356-L360 HydrophobicContact CG1-CG 4.44Å; V356-L360 WeakPolarHBondContact O-CB 3.43Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 3.39Å; R357-L360 PolarHBondContact O-N 3.04Å; L360-T362 VanDerWaalsContact C-N 3.25Å; L360-T362 PolarHBondContact O-N 2.58Å; L360-K363 PolarHBondContact O-N 3.48Å; L360-K363 VanDerWaalsContact O-N 3.15Å; L360-E364 WeakPolarHBondContact O-CB 3.39Å; L360-E364 PolarHBondContact O-N 3.47Å; L360-F372 HydrophobicContact CD2-CZ 4.31Å; L360-V374 HydrophobicContact CD1-CG1 4.35Å; L360-V374 HydrophobicContact CD2-CG1 3.73Å; L360-V374 HydrophobicContact CD2-CG2 4.24Å; L360-V379 HydrophobicContact CD1-CG2 4.41Å; L360-M382 HydrophobicContact CD1-CE 4.41Å; L360-M382 HydrophobicContact CD2-CE 3.42Å; L360-M382 VanDerWaalsContact CD2-CE 3.42Å; L360-M382 HydrophobicContact CD2-SD 4.42Å; L360-M382 HydrophobicContact CG-CE 3.81Å; L360-M382 HydrophobicContact CG-SD 4.49Å
361	R	83.3	Confident	78.1	Confident	81 Å²	81	82.5 Å²	82.5	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-33.1	174.6	-76.5	-179.9	173.2	169.2	-1.1	112.8	L37 R357 E358 R365	L37-R361 HydrophobicContact CD2-CG 3.53Å; L37-R361 PolarHBondContact O-NH2 3.08Å; R357-R361 WeakPolarHBondContact O-CB 3.3Å; R357-R361 WeakPolarHBondContact O-CG 3.04Å; R357-R361 PolarHBondContact O-N 3.33Å; E358-R361 PolarHBondContact O-N 2.91Å; R361-R365 VanDerWaalsContact O-CG 3.26Å; R361-R365 WeakPolarHBondContact O-CG 3.26Å; R361-R365 PolarHBondContact O-N 2.66Å
362	T	84.3	Confident	75.9	Confident	73 Å²	73	81 Å²	81	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-70	-42.1	175.6	-55.2	0	0	0	0	110.6	E358 L359 L360 R365 Q366	E358-T362 WeakPolarHBondContact O-CB 3.42Å; E358-T362 PolarHBondContact O-N 3.44Å; E358-T362 PolarHBondContact O-OG1 2.77Å; L359-T362 WeakPolarHBondContact O-CB 3.36Å; L359-T362 PolarHBondContact O-N 3.43Å; L359-T362 VanDerWaalsContact O-N 3.17Å; L360-T362 VanDerWaalsContact C-N 3.25Å; L360-T362 PolarHBondContact O-N 2.58Å; T362-R365 PolarHBondContact O-N 3.23Å; T362-Q366 WeakPolarHBondContact O-CG 3.3Å; T362-Q366 PolarHBondContact O-N 3.07Å; T362-Q366 VanDerWaalsContact O-N 3.13Å
363	K	80.1	Confident	74.1	Confident	59 Å²	59	85.8 Å²	85.8	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-67.7	-41	176.9	-166.2	-177.8	176.1	-173.9	0	112.7	L359 L360 R365 Q366 N367 F372 E378	L359-K363 PolarHBondContact O-N 2.76Å; L360-K363 PolarHBondContact O-N 3.48Å; L360-K363 VanDerWaalsContact O-N 3.15Å; K363-R365 PolarHBondContact O-N 2.83Å; K363-Q366 PolarHBondContact O-N 2.67Å; K363-Q366 VanDerWaalsContact O-N 3.14Å; K363-N367 PolarHBondContact O-N 3.11Å; K363-F372 HydrophobicContact CB-CE2 4.34Å; K363-F372 HydrophobicContact CB-CZ 4.41Å; K363-F372 HydrophobicContact CD-CE2 4.14Å; K363-F372 HydrophobicContact CG-CE2 4.02Å; K363-E378 IonicContact NZ-OE1 3.64Å; K363-E378 PolarHBondContact NZ-OE1 3.35Å; K363-E378 IonicContact NZ-OE2 3.45Å; K363-E378 PolarHBondContact NZ-OE2 3.15Å
364	E	77.4	Confident	72.7	Confident	82 Å²	82	85.8 Å²	85.8	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-55.7	-48.4	172.5	-178.8	-175.4	-152.1	0	0	110.9	L360 Q366 N367 F372	L360-E364 WeakPolarHBondContact O-CB 3.39Å; L360-E364 PolarHBondContact O-N 3.47Å; E364-Q366 VanDerWaalsContact C-N 3.29Å; E364-Q366 PolarHBondContact O-N 2.76Å; E364-N367 PolarHBondContact O-N 2.83Å; E364-F372 HydrophobicContact CB-CD1 3.94Å; E364-F372 HydrophobicContact CB-CE1 3.76Å; E364-F372 HydrophobicContact CB-CG 4.41Å; E364-F372 HydrophobicContact CB-CZ 4.11Å; E364-F372 HydrophobicContact CG-CD1 3.93Å; E364-F372 HydrophobicContact CG-CE1 4.21Å; E364-F372 HydrophobicContact CG-CG 4.42Å
365	R	75.1	Confident	71.5	Confident	191 Å²	191	88.7 Å²	88.7	72%	0.721	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-29.9	175.9	-73.8	172.6	177.9	-170.2	-1.1	113.9	R361 T362 K363	R361-R365 VanDerWaalsContact O-CG 3.26Å; R361-R365 WeakPolarHBondContact O-CG 3.26Å; R361-R365 PolarHBondContact O-N 2.66Å; T362-R365 PolarHBondContact O-N 3.23Å; K363-R365 PolarHBondContact O-N 2.83Å
366	Q	71.8	Confident	70.5	Confident	145 Å²	145	85.1 Å²	85.1	68%	0.678	40%	0.404	S	S	*	.	H	α-helix	trans	-76.6	-35.5	176	-73.9	173	-14.5	0	0	112	T362 K363 E364 M368	T362-Q366 WeakPolarHBondContact O-CG 3.3Å; T362-Q366 PolarHBondContact O-N 3.07Å; T362-Q366 VanDerWaalsContact O-N 3.13Å; K363-Q366 PolarHBondContact O-N 2.67Å; K363-Q366 VanDerWaalsContact O-N 3.14Å; E364-Q366 VanDerWaalsContact C-N 3.29Å; E364-Q366 PolarHBondContact O-N 2.76Å; Q366-M368 PolarHBondContact O-N 2.98Å
367	N	67.2	Low	69.9	Low	70 Å²	70	93.5 Å²	93.5	37%	0.374	44%	0.436	S	S	.	.			trans	-87.6	35.8	-179.1	-75.6	-9.9	0	0	0	113.7	K363 E364 Y369 H370 F372	K363-N367 PolarHBondContact O-N 3.11Å; E364-N367 PolarHBondContact O-N 2.83Å; N367-Y369 PolarHBondContact O-N 2.93Å; N367-H370 PolarHBondContact O-N 2.78Å; N367-F372 HydrophobicContact CB-CD2 4.16Å
368	M	52.8	Low	69.6	Low	140 Å²	140	96.7 Å²	96.7	69%	0.69	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.1	-171	-167.4	176.7	-71.5	0	0	116	Q366	Q366-M368 PolarHBondContact O-N 2.98Å
369	Y	46.9	Very low	69.3	Low	208 Å²	208	93.5 Å²	93.5	82%	0.816	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	4.7	-174.9	-65.2	-78.2	0	0	0	115.2	N367	N367-Y369 PolarHBondContact O-N 2.93Å
370	H	50.2	Low	69.1	Low	158 Å²	158	91 Å²	91	73%	0.731	43%	0.426	S	S	*	.	S	Bend	trans	-131.7	150.9	177.3	-71.5	-32.1	0	0	0	111.4	N367 F372	N367-H370 PolarHBondContact O-N 2.78Å; H370-F372 PolarHBondContact O-N 2.76Å
371	N	50.7	Low	69.2	Low	162 Å²	162	97.4 Å²	97.4	87%	0.866	45%	0.454	S	S	*	.			trans	-59.6	108	170.9	-81	5.1	0	0	0	108.9	T373	N371-T373 PolarHBondContact O-N 3.45Å
372	F	47.4	Very low	69.5	Low	38 Å²	38	94.9 Å²	94.9	17%	0.167	45%	0.446	C	S	.	.			trans	-80.8	99.4	-176.3	-179.5	-107.2	0	0	0	110.3	L37 L360 K363 E364 N367 H370 V374	L37-F372 HydrophobicContact CD1-CE1 4.02Å; L360-F372 HydrophobicContact CD2-CZ 4.31Å; K363-F372 HydrophobicContact CB-CE2 4.34Å; K363-F372 HydrophobicContact CB-CZ 4.41Å; K363-F372 HydrophobicContact CD-CE2 4.14Å; K363-F372 HydrophobicContact CG-CE2 4.02Å; E364-F372 HydrophobicContact CB-CD1 3.94Å; E364-F372 HydrophobicContact CB-CE1 3.76Å; E364-F372 HydrophobicContact CB-CG 4.41Å; E364-F372 HydrophobicContact CB-CZ 4.11Å; E364-F372 HydrophobicContact CG-CD1 3.93Å; E364-F372 HydrophobicContact CG-CE1 4.21Å; E364-F372 HydrophobicContact CG-CG 4.42Å; N367-F372 HydrophobicContact CB-CD2 4.16Å; H370-F372 PolarHBondContact O-N 2.76Å; F372-V374 HydrophobicContact CD1-CG2 3.86Å; F372-V374 HydrophobicContact CE1-CG2 3.24Å; F372-V374 HydrophobicContact CZ-CG2 3.72Å
373	T	56.6	Low	69.8	Low	101 Å²	101	91.6 Å²	91.6	62%	0.62	43%	0.426	S	S	*	.			trans	-99.3	129.8	172.8	54.6	0	0	0	0	110.5	D32 N371	D32-T373 WeakPolarHBondContact OD1-CA 3.43Å; N371-T373 PolarHBondContact O-N 3.45Å
374	V	60.2	Low	70.3	Confident	1 Å²	1	90.9 Å²	90.9	1%	0.006	43%	0.425	C	S	.	.			trans	-98.5	102.9	-176.5	-178.4	0	0	0	0	111.6	D32 N33 L360 F372 V379	D32-V374 PolarHBondContact OD1-N 2.75Å; D32-V374 VanDerWaalsContact OD1-N 3.07Å; N33-V374 HydrophobicContact CB-CB 3.82Å; N33-V374 HydrophobicContact CB-CG1 3.8Å; N33-V374 PolarHBondContact N-O 3.25Å; N33-V374 PolarHBondContact ND2-O 2.79Å; L360-V374 HydrophobicContact CD1-CG1 4.35Å; L360-V374 HydrophobicContact CD2-CG1 3.73Å; L360-V374 HydrophobicContact CD2-CG2 4.24Å; F372-V374 HydrophobicContact CD1-CG2 3.86Å; F372-V374 HydrophobicContact CE1-CG2 3.24Å; F372-V374 HydrophobicContact CZ-CG2 3.72Å; V374-V379 HydrophobicContact CG1-CG2 3.33Å
375	D	68.6	Low	70.9	Confident	89 Å²	89	90.6 Å²	90.6	48%	0.476	43%	0.426	S	S	.	.			trans	-66.4	132.3	178.5	177.9	13.1	0	0	0	112.7	R377 E378 V379	D375-R377 PolarHBondContact O-N 2.93Å; D375-R377 PolarHBondContact OD1-N 3.39Å; D375-E378 HydrophobicContact CB-CB 4.38Å; D375-E378 PolarHBondContact O-N 3.35Å; D375-E378 VanDerWaalsContact O-N 3.09Å; D375-V379 PolarHBondContact O-N 2.79Å; D375-V379 VanDerWaalsContact O-N 3.08Å
376	D	69.3	Low	71.8	Confident	42 Å²	42	82 Å²	82	23%	0.225	39%	0.394	C	S	.	.	H	α-helix	trans	-53.1	-37.6	174.5	-75.8	-37.8	0	0	0	112.4	N33 K112 V379 G380	N33-D376 PolarHBondContact ND2-OD1 3.2Å; N33-D376 PolarHBondContact OD1-OD1 3.11Å; K112-D376 VanDerWaalsContact CE-OD1 3.23Å; K112-D376 WeakPolarHBondContact CE-OD1 3.48Å; K112-D376 VanDerWaalsContact NZ-CG 3.32Å; K112-D376 IonicContact NZ-OD1 3.26Å; K112-D376 PolarHBondContact NZ-OD1 3.03Å; K112-D376 IonicContact NZ-OD2 3.72Å; K112-D376 PolarHBondContact NZ-OD2 3.25Å; K112-D376 VanDerWaalsContact NZ-OD2 3.12Å; D376-V379 PolarHBondContact O-N 3.48Å; D376-G380 PolarHBondContact O-N 2.87Å
377	R	77.8	Confident	72.8	Confident	175 Å²	175	75.1 Å²	75.1	66%	0.66	36%	0.362	S	S	*	.	H	α-helix	trans	-68.6	-35.7	179.1	-172.6	179	-173.6	-163.4	2.8	112.5	D375 K381	D375-R377 PolarHBondContact O-N 2.93Å; D375-R377 PolarHBondContact OD1-N 3.39Å; R377-K381 PolarHBondContact O-N 3.04Å
378	E	81.4	Confident	73.9	Confident	70 Å²	70	75.8 Å²	75.8	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	-41.4	176.8	-167	175.1	-145.4	0	0	111.1	K363 D375 K381 M382	K363-E378 IonicContact NZ-OE1 3.64Å; K363-E378 PolarHBondContact NZ-OE1 3.35Å; K363-E378 IonicContact NZ-OE2 3.45Å; K363-E378 PolarHBondContact NZ-OE2 3.15Å; D375-E378 HydrophobicContact CB-CB 4.38Å; D375-E378 PolarHBondContact O-N 3.35Å; D375-E378 VanDerWaalsContact O-N 3.09Å; E378-K381 PolarHBondContact O-N 3.42Å; E378-M382 HydrophobicContact CG-CE 3.91Å; E378-M382 PolarHBondContact O-N 2.59Å
379	V	81.8	Confident	75.8	Confident	14 Å²	14	76.2 Å²	76.2	9%	0.085	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-48.4	174.4	177.9	0	0	0	0	111	L360 V374 D375 D376 K381 M382 V383	L360-V379 HydrophobicContact CD1-CG2 4.41Å; V374-V379 HydrophobicContact CG1-CG2 3.33Å; D375-V379 PolarHBondContact O-N 2.79Å; D375-V379 VanDerWaalsContact O-N 3.08Å; D376-V379 PolarHBondContact O-N 3.48Å; V379-K381 VanDerWaalsContact C-N 3.28Å; V379-K381 PolarHBondContact O-N 2.97Å; V379-M382 HydrophobicContact CG2-CE 4.46Å; V379-M382 PolarHBondContact O-N 3.3Å; V379-M382 VanDerWaalsContact O-N 3.14Å; V379-V383 HydrophobicContact CG1-CG2 4.3Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.08Å
380	G	83.3	Confident	78	Confident	10 Å²	10	66.7 Å²	66.7	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-41.2	177.6	0	0	0	0	0	112.6	N136 D376 L384	N136-G380 WeakPolarHBondContact O-CA 3.38Å; D376-G380 PolarHBondContact O-N 2.87Å; G380-L384 PolarHBondContact O-N 3.15Å; G380-L384 VanDerWaalsContact O-N 3.11Å
381	K	87.3	Confident	80.1	Confident	136 Å²	136	62.7 Å²	62.7	59%	0.591	31%	0.314	S	S	*	.	H	α-helix	trans	-65.8	-46.8	174.1	-169.3	-174.5	173.8	-169.8	0	112.4	R377 E378 V379 V383 L384 D385	R377-K381 PolarHBondContact O-N 3.04Å; E378-K381 PolarHBondContact O-N 3.42Å; V379-K381 VanDerWaalsContact C-N 3.28Å; V379-K381 PolarHBondContact O-N 2.97Å; K381-V383 VanDerWaalsContact C-N 3.3Å; K381-V383 PolarHBondContact O-N 3.21Å; K381-L384 PolarHBondContact O-N 3.17Å; K381-L384 VanDerWaalsContact O-N 3.13Å; K381-D385 WeakPolarHBondContact CE-OD2 3.39Å; K381-D385 PolarHBondContact O-N 3.05Å
382	M	89.4	Confident	82.2	Confident	29 Å²	29	55.8 Å²	55.8	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-37.1	177.5	-76.4	-175.5	-69	0	0	112.5	V356 L360 E378 V379 V386	V356-M382 HydrophobicContact CG1-CB 4.19Å; V356-M382 HydrophobicContact CG2-CB 4.29Å; L360-M382 HydrophobicContact CD1-CE 4.41Å; L360-M382 HydrophobicContact CD2-CE 3.42Å; L360-M382 VanDerWaalsContact CD2-CE 3.42Å; L360-M382 HydrophobicContact CD2-SD 4.42Å; L360-M382 HydrophobicContact CG-CE 3.81Å; L360-M382 HydrophobicContact CG-SD 4.49Å; E378-M382 HydrophobicContact CG-CE 3.91Å; E378-M382 PolarHBondContact O-N 2.59Å; V379-M382 HydrophobicContact CG2-CE 4.46Å; V379-M382 PolarHBondContact O-N 3.3Å; V379-M382 VanDerWaalsContact O-N 3.14Å; M382-V386 VanDerWaalsContact O-CB 3.26Å; M382-V386 WeakPolarHBondContact O-CB 3.39Å; M382-V386 WeakPolarHBondContact O-CG2 3.47Å; M382-V386 PolarHBondContact O-N 2.77Å
383	V	90.2	Very high	84.4	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-43.6	173.3	171	0	0	0	0	110.9	M115 V138 T352 V356 V379 K381 M387	M115-V383 HydrophobicContact CE-CG1 3.97Å; M115-V383 HydrophobicContact CG-CG1 4.22Å; M115-V383 HydrophobicContact SD-CG1 3.95Å; V138-V383 HydrophobicContact CB-CG1 4.07Å; V138-V383 HydrophobicContact CG2-CB 4.18Å; V138-V383 HydrophobicContact CG2-CG1 3.74Å; T352-V383 HydrophobicContact CG2-CG1 4.06Å; V356-V383 HydrophobicContact CG1-CG2 4.48Å; V356-V383 HydrophobicContact CG2-CG2 4.01Å; V379-V383 HydrophobicContact CG1-CG2 4.3Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.08Å; K381-V383 VanDerWaalsContact C-N 3.3Å; K381-V383 PolarHBondContact O-N 3.21Å; V383-M387 WeakPolarHBondContact O-CB 3.02Å; V383-M387 WeakPolarHBondContact O-CG 3.32Å; V383-M387 PolarHBondContact O-N 2.89Å
384	L	90.5	Very high	86.2	Confident	45 Å²	45	55.3 Å²	55.3	24%	0.236	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-47	178.3	-174.1	149.8	0	0	0	112.2	N157 F159 G380 K381 M387 N388	N157-L384 WeakPolarHBondContact OD1-CD1 2.95Å; F159-L384 HydrophobicContact CE2-CG 4.19Å; F159-L384 HydrophobicContact CZ-CG 4.37Å; G380-L384 PolarHBondContact O-N 3.15Å; G380-L384 VanDerWaalsContact O-N 3.11Å; K381-L384 PolarHBondContact O-N 3.17Å; K381-L384 VanDerWaalsContact O-N 3.13Å; L384-M387 PolarHBondContact O-N 3.18Å; L384-N388 PolarHBondContact O-N 2.81Å; L384-N388 VanDerWaalsContact O-N 3.15Å
385	D	91	Very high	87.9	Confident	76 Å²	76	55.3 Å²	55.3	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-48.5	178.7	-69.6	-22.6	0	0	0	110.3	K381 M387 N388 E389	K381-D385 WeakPolarHBondContact CE-OD2 3.39Å; K381-D385 PolarHBondContact O-N 3.05Å; D385-M387 PolarHBondContact O-N 2.89Å; D385-N388 PolarHBondContact O-N 3.4Å; D385-E389 PolarHBondContact O-N 2.68Å
386	V	93.6	Very high	89.1	Confident	10 Å²	10	51.5 Å²	51.5	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-41	177.4	169.9	0	0	0	0	112	T352 R355 V356 L359 M382 N388 E389 T390	T352-V386 HydrophobicContact CG2-CB 4.3Å; T352-V386 HydrophobicContact CG2-CG1 3.89Å; R355-V386 HydrophobicContact CB-CG1 3.86Å; R355-V386 HydrophobicContact CG-CG1 3.86Å; R355-V386 HydrophobicContact CG-CG2 4.07Å; V356-V386 HydrophobicContact CG2-CB 4.13Å; V356-V386 HydrophobicContact CG2-CG1 4.46Å; V356-V386 HydrophobicContact CG2-CG2 3.9Å; L359-V386 HydrophobicContact CD1-CG2 3.82Å; M382-V386 VanDerWaalsContact O-CB 3.26Å; M382-V386 WeakPolarHBondContact O-CB 3.39Å; M382-V386 WeakPolarHBondContact O-CG2 3.47Å; M382-V386 PolarHBondContact O-N 2.77Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 2.95Å; V386-E389 PolarHBondContact O-N 2.71Å; V386-E389 VanDerWaalsContact O-N 3.11Å; V386-T390 PolarHBondContact O-N 2.93Å
387	M	91.8	Very high	90.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-39.5	176.8	-83.3	-141.5	-73.1	0	0	111.9	M115 V138 F159 V348 T352 V383 L384 D385 E389 T390 F401	M115-M387 HydrophobicContact CE-CE 3.63Å; M115-M387 HydrophobicContact CE-SD 3.65Å; V138-M387 HydrophobicContact CB-CE 4.02Å; V138-M387 HydrophobicContact CG1-CE 3.24Å; F159-M387 HydrophobicContact CB-CE 4.14Å; F159-M387 HydrophobicContact CD1-CB 4.32Å; F159-M387 HydrophobicContact CD1-CE 4.44Å; F159-M387 HydrophobicContact CD2-CE 3.48Å; F159-M387 VanDerWaalsContact CD2-CE 3.48Å; F159-M387 HydrophobicContact CE1-CB 3.98Å; F159-M387 HydrophobicContact CE2-CB 4.48Å; F159-M387 HydrophobicContact CE2-CE 3.94Å; F159-M387 HydrophobicContact CG-CE 3.78Å; F159-M387 HydrophobicContact CG-SD 4.4Å; F159-M387 HydrophobicContact CZ-CB 4.07Å; V348-M387 HydrophobicContact CG1-SD 4.06Å; T352-M387 HydrophobicContact CG2-CG 3.64Å; V383-M387 WeakPolarHBondContact O-CB 3.02Å; V383-M387 WeakPolarHBondContact O-CG 3.32Å; V383-M387 PolarHBondContact O-N 2.89Å; L384-M387 PolarHBondContact O-N 3.18Å; D385-M387 PolarHBondContact O-N 2.89Å; M387-E389 PolarHBondContact O-N 3.16Å; M387-T390 PolarHBondContact O-N 2.96Å; M387-T390 VanDerWaalsContact O-N 3.13Å; M387-T390 PolarHBondContact O-OG1 2.73Å; M387-F401 WeakPolarHBondContact O-CD2 3.46Å
388	N	91.6	Very high	90.9	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-66	-24.8	177.1	-167.1	62.4	0	0	0	113.1	L384 D385 V386	L384-N388 PolarHBondContact O-N 2.81Å; L384-N388 VanDerWaalsContact O-N 3.15Å; D385-N388 PolarHBondContact O-N 3.4Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 2.95Å
389	E	92.8	Very high	91.6	Very high	150 Å²	150	40.3 Å²	40.3	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4	174.2	-66.1	-175.5	173.4	0	0	114.2	D385 V386 M387 N391	D385-E389 PolarHBondContact O-N 2.68Å; V386-E389 PolarHBondContact O-N 2.71Å; V386-E389 VanDerWaalsContact O-N 3.11Å; M387-E389 PolarHBondContact O-N 3.16Å; E389-N391 PolarHBondContact O-N 2.72Å
390	T	92.8	Very high	92.1	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.043	21%	0.21	C	C	.	.			trans	-65.6	127.8	-175.3	54.5	0	0	0	0	113.1	V386 M387 F401	V386-T390 PolarHBondContact O-N 2.93Å; M387-T390 PolarHBondContact O-N 2.96Å; M387-T390 VanDerWaalsContact O-N 3.13Å; M387-T390 PolarHBondContact O-OG1 2.73Å; T390-F401 VanDerWaalsContact OG1-CD2 3.22Å; T390-F401 WeakPolarHBondContact OG1-CD2 3.43Å; T390-F401 VanDerWaalsContact OG1-CE2 3.23Å; T390-F401 WeakPolarHBondContact OG1-CE2 3.31Å
391	N	94.4	Very high	92.6	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	125.6	173.9	-172.2	0.5	0	0	0	109.3	K351 E389 Q398 V399	K351-N391 PolarHBondContact NZ-O 2.97Å; E389-N391 PolarHBondContact O-N 2.72Å; N391-Q398 PolarHBondContact OD1-NE2 2.95Å; N391-V399 WeakPolarHBondContact CA-O 3.4Å
392	F	93.9	Very high	92.8	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	173.1	169.3	63.7	-81.6	0	0	0	111.2	I312 W347 V348 K351 Q398 V399	I312-F392 HydrophobicContact CB-CD2 3.9Å; I312-F392 HydrophobicContact CB-CE2 4.41Å; I312-F392 HydrophobicContact CD1-CD2 4.15Å; I312-F392 HydrophobicContact CD1-CG 4.34Å; I312-F392 HydrophobicContact CG2-CD2 3.66Å; I312-F392 HydrophobicContact CG2-CE2 3.68Å; W347-F392 HydrophobicContact CB-CE2 4.07Å; W347-F392 HydrophobicContact CB-CZ 3.96Å; V348-F392 HydrophobicContact CG2-CE1 3.74Å; V348-F392 HydrophobicContact CG2-CZ 3.82Å; K351-F392 HydrophobicContact CD-CD1 4.03Å; K351-F392 HydrophobicContact CD-CE1 4.49Å; F392-Q398 WeakPolarHBondContact O-CA 3.44Å; F392-V399 HydrophobicContact CD1-CB 4.3Å; F392-V399 HydrophobicContact CE1-CB 4.01Å; F392-V399 HydrophobicContact CE1-CG1 4.09Å; F392-V399 HydrophobicContact CE2-CB 4.4Å; F392-V399 HydrophobicContact CE2-CG2 4.09Å; F392-V399 HydrophobicContact CZ-CB 4.06Å; F392-V399 HydrophobicContact CZ-CG1 4.23Å; F392-V399 HydrophobicContact CZ-CG2 4.05Å; F392-V399 PolarHBondContact N-O 3.47Å; F392-V399 PolarHBondContact O-N 3.25Å
393	Y	94.4	Very high	92.7	Very high	123 Å²	123	47.9 Å²	47.9	48%	0.482	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	169.6	-74.6	-82.5	0	0	0	110.6	G311 I312 Q398	G311-Y393 CarbonylContact C-O 3.46Å; G311-Y393 WeakPolarHBondContact CA-O 3.43Å; I312-Y393 PolarHBondContact N-O 3.19Å; Y393-Q398 HydrophobicContact CD1-CB 4.08Å; Y393-Q398 HydrophobicContact CE1-CB 3.81Å; Y393-Q398 HydrophobicContact CE1-CG 4.29Å
394	G	94.4	Very high	92.6	Very high	7 Å²	7	48 Å²	48	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-171.6	170.9	0	0	0	0	0	112.3	D344 T396 G397	D344-G394 WeakPolarHBondContact OD1-CA 3.47Å; G394-T396 VanDerWaalsContact C-N 3.28Å; G394-T396 PolarHBondContact O-N 2.93Å; G394-G397 PolarHBondContact N-O 3.28Å; G394-G397 PolarHBondContact O-N 2.91Å
395	V	95.1	Very high	92.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25.3	-179.9	-58.3	0	0	0	0	112.3	L304 S305 P317 Y320 Y343 D344 G397	L304-V395 HydrophobicContact CD2-CB 4.37Å; L304-V395 HydrophobicContact CD2-CG2 4.04Å; S305-V395 PolarHBondContact N-O 3.08Å; P317-V395 WeakPolarHBondContact CG-O 3.29Å; Y320-V395 HydrophobicContact CD1-CB 3.83Å; Y320-V395 HydrophobicContact CD1-CG1 3.84Å; Y320-V395 HydrophobicContact CD1-CG2 3.79Å; Y320-V395 HydrophobicContact CD2-CG1 4.48Å; Y320-V395 HydrophobicContact CE1-CB 4.33Å; Y320-V395 HydrophobicContact CE1-CG2 3.76Å; Y320-V395 HydrophobicContact CG-CB 4.31Å; Y320-V395 HydrophobicContact CG-CG1 3.8Å; Y320-V395 HydrophobicContact CG-CG2 4.48Å; Y343-V395 HydrophobicContact CD1-CG1 3.85Å; Y343-V395 HydrophobicContact CD1-CG2 3.83Å; Y343-V395 HydrophobicContact CE1-CG1 3.78Å; Y343-V395 HydrophobicContact CG-CG2 4.42Å; D344-V395 PolarHBondContact OD1-N 2.61Å; D344-V395 PolarHBondContact OD2-N 2.85Å; V395-G397 VanDerWaalsContact C-N 3.29Å
396	T	94.4	Very high	92.7	Very high	8 Å²	8	45 Å²	45	5%	0.049	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	11.7	174.7	65.7	0	0	0	0	113	P303 L304 F341 D344 G394 R406	P303-T396 VanDerWaalsContact O-CG2 3.27Å; P303-T396 WeakPolarHBondContact O-CG2 3.43Å; L304-T396 HydrophobicContact CD2-CG2 4.49Å; F341-T396 HydrophobicContact CD1-CG2 4.01Å; F341-T396 HydrophobicContact CE1-CG2 4.11Å; F341-T396 HydrophobicContact CG-CG2 4.39Å; D344-T396 WeakPolarHBondContact OD2-CB 3.36Å; D344-T396 WeakPolarHBondContact OD2-CG2 3.34Å; D344-T396 PolarHBondContact OD2-N 3.44Å; D344-T396 PolarHBondContact OD2-OG1 2.98Å; G394-T396 VanDerWaalsContact C-N 3.28Å; G394-T396 PolarHBondContact O-N 2.93Å; T396-R406 PolarHBondContact O-NH2 3.17Å; T396-R406 PolarHBondContact OG1-NH1 3.36Å; T396-R406 PolarHBondContact OG1-NH2 2.69Å
397	G	92.9	Very high	92.6	Very high	9 Å²	9	46.1 Å²	46.1	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.6	-152.4	-178.8	0	0	0	0	0	112.3	G394 V395 V399	G394-G397 PolarHBondContact N-O 3.28Å; G394-G397 PolarHBondContact O-N 2.91Å; V395-G397 VanDerWaalsContact C-N 3.29Å; G397-V399 PolarHBondContact O-N 3.42Å
398	Q	92.8	Very high	92.5	Very high	44 Å²	44	46.5 Å²	46.5	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.8	178.8	-164.6	170.2	3.6	0	0	110.3	N391 F392 Y393 R406 I429	N391-Q398 PolarHBondContact OD1-NE2 2.95Å; F392-Q398 WeakPolarHBondContact O-CA 3.44Å; Y393-Q398 HydrophobicContact CD1-CB 4.08Å; Y393-Q398 HydrophobicContact CE1-CB 3.81Å; Y393-Q398 HydrophobicContact CE1-CG 4.29Å; Q398-R406 PolarHBondContact O-NE 3.16Å; Q398-R406 PolarHBondContact O-NH2 3.15Å; Q398-I429 HydrophobicContact CB-CD1 3.84Å; Q398-I429 HydrophobicContact CG-CD1 4Å
399	V	94.4	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113	176.1	-175.4	0	0	0	0	107.2	D344 V348 N391 F392 G397 F401	D344-V399 HydrophobicContact CB-CG2 4.15Å; V348-V399 HydrophobicContact CG2-CG1 3.69Å; N391-V399 WeakPolarHBondContact CA-O 3.4Å; F392-V399 HydrophobicContact CD1-CB 4.3Å; F392-V399 HydrophobicContact CE1-CB 4.01Å; F392-V399 HydrophobicContact CE1-CG1 4.09Å; F392-V399 HydrophobicContact CE2-CB 4.4Å; F392-V399 HydrophobicContact CE2-CG2 4.09Å; F392-V399 HydrophobicContact CZ-CB 4.06Å; F392-V399 HydrophobicContact CZ-CG1 4.23Å; F392-V399 HydrophobicContact CZ-CG2 4.05Å; F392-V399 PolarHBondContact N-O 3.47Å; F392-V399 PolarHBondContact O-N 3.25Å; G397-V399 PolarHBondContact O-N 3.42Å; V399-F401 HydrophobicContact CG1-CZ 4.34Å
400	M	93.8	Very high	92.7	Very high	55 Å²	55	37 Å²	37	27%	0.271	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	137.2	179.5	178.8	-174.4	-68	0	0	108.5	M407 I429	M400-M407 PolarHBondContact O-N 3.14Å; M400-M407 VanDerWaalsContact O-N 3.14Å; M400-I429 HydrophobicContact CB-CD1 4.48Å
401	F	93.4	Very high	92.8	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.8	175.1	-54.1	-69.8	0	0	0	111.9	L140 F159 R160 T161 V348 M387 T390 V399 E405 R406	L140-F401 HydrophobicContact CD1-CZ 4.11Å; F159-F401 HydrophobicContact CD1-CB 4.27Å; F159-F401 HydrophobicContact CD1-CD1 4.34Å; F159-F401 HydrophobicContact CD1-CD2 4.1Å; F159-F401 AromaticContact CD1-CG 3.97Å; F159-F401 HydrophobicContact CD1-CG 3.97Å; F159-F401 HydrophobicContact CE1-CB 4.38Å; F159-F401 HydrophobicContact CE1-CG 4.47Å; R160-F401 VanDerWaalsContact O-CE1 3.3Å; R160-F401 WeakPolarHBondContact O-CE1 3.48Å; T161-F401 HydrophobicContact CG2-CE1 4.47Å; T161-F401 HydrophobicContact CG2-CZ 4.21Å; V348-F401 HydrophobicContact CG1-CE2 3.99Å; V348-F401 HydrophobicContact CG1-CZ 4.24Å; V348-F401 HydrophobicContact CG2-CE2 4.31Å; V348-F401 HydrophobicContact CG2-CZ 4.18Å; M387-F401 WeakPolarHBondContact O-CD2 3.46Å; T390-F401 VanDerWaalsContact OG1-CD2 3.22Å; T390-F401 WeakPolarHBondContact OG1-CD2 3.43Å; T390-F401 VanDerWaalsContact OG1-CE2 3.23Å; T390-F401 WeakPolarHBondContact OG1-CE2 3.31Å; V399-F401 HydrophobicContact CG1-CZ 4.34Å; F401-E405 CarbonylContact C-O 3.55Å; F401-E405 VanDerWaalsContact CA-O 3.22Å; F401-E405 WeakPolarHBondContact CA-O 3.5Å; F401-R406 HydrophobicContact CD1-CB 4.13Å; F401-R406 HydrophobicContact CE1-CB 4.19Å
402	R	90.5	Very high	92.9	Very high	164 Å²	164	34.3 Å²	34.3	62%	0.619	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	118	167.1	174.1	177.1	-83.5	174.4	-5.4	106.8	G404 E405 M407	R402-G404 PolarHBondContact O-N 3.31Å; R402-E405 PolarHBondContact N-O 3.32Å; R402-E405 PolarHBondContact O-N 3.1Å; R402-M407 HydrophobicContact CB-CG 4.22Å; R402-M407 HydrophobicContact CB-SD 4.02Å
403	N	88.9	Confident	93	Very high	120 Å²	120	34.6 Å²	34.6	64%	0.642	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	37.8	-175.7	-57.3	-21.3	0	0	0	113.2	K152 E405	K152-N403 VanDerWaalsContact CE-C 3.47Å; K152-N403 WeakPolarHBondContact CE-O 3.44Å; K152-N403 HydrophobicContact CG-CB 4.45Å; N403-E405 PolarHBondContact O-N 2.89Å
404	G	87.4	Confident	93.1	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-9.3	-178.8	0	0	0	0	0	116.3	F159 R160 R402	F159-G404 WeakPolarHBondContact CA-O 3.42Å; R160-G404 PolarHBondContact N-O 3.42Å; R402-G404 PolarHBondContact O-N 3.31Å
405	E	91.3	Very high	93.1	Very high	49 Å²	49	28.5 Å²	28.5	23%	0.229	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	147.7	169.4	-60.6	-155.1	114	0	0	111.1	A150 R160 S164 F401 R402 N403	A150-E405 HydrophobicContact CB-CG 4.32Å; R160-E405 IonicContact CZ-OE1 2.69Å; R160-E405 IonicContact NE-OE1 2.75Å; R160-E405 IonicContact NH2-OE1 3.78Å; R160-E405 PolarHBondContact NH2-OE1 3.07Å; S164-E405 WeakPolarHBondContact CB-OE1 3.37Å; S164-E405 PolarHBondContact OG-OE1 2.81Å; F401-E405 CarbonylContact C-O 3.55Å; F401-E405 VanDerWaalsContact CA-O 3.22Å; F401-E405 WeakPolarHBondContact CA-O 3.5Å; R402-E405 PolarHBondContact N-O 3.32Å; R402-E405 PolarHBondContact O-N 3.1Å; N403-E405 PolarHBondContact O-N 2.89Å
406	R	92.8	Very high	93.1	Very high	9 Å²	9	29.2 Å²	29.2	3%	0.034	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132	173.2	-177.5	-176.4	175.4	-176.1	0.2	112	R160 T161 F341 T396 Q398 F401 G408	R160-R406 WeakPolarHBondContact O-CB 3.37Å; T161-R406 WeakPolarHBondContact O-CD 3.34Å; T161-R406 PolarHBondContact O-NH1 2.93Å; F341-R406 VanDerWaalsContact CD1-NH1 3.27Å; T396-R406 PolarHBondContact O-NH2 3.17Å; T396-R406 PolarHBondContact OG1-NH1 3.36Å; T396-R406 PolarHBondContact OG1-NH2 2.69Å; Q398-R406 PolarHBondContact O-NE 3.16Å; Q398-R406 PolarHBondContact O-NH2 3.15Å; F401-R406 HydrophobicContact CD1-CB 4.13Å; F401-R406 HydrophobicContact CE1-CB 4.19Å; R406-G408 PolarHBondContact O-N 2.75Å
407	M	90.2	Very high	92.9	Very high	35 Å²	35	35.1 Å²	35.1	17%	0.172	17%	0.174	C	C	.	.			trans	-75.9	113.9	163	-53.8	-61.7	-64.7	0	0	109.5	M400 R402 S428 I429	M400-M407 PolarHBondContact O-N 3.14Å; M400-M407 VanDerWaalsContact O-N 3.14Å; R402-M407 HydrophobicContact CB-CG 4.22Å; R402-M407 HydrophobicContact CB-SD 4.02Å; M407-S428 WeakPolarHBondContact CE-O 3.18Å; M407-I429 HydrophobicContact CB-CD1 4.12Å; M407-I429 HydrophobicContact CB-CG1 3.49Å; M407-I429 VanDerWaalsContact CB-CG1 3.49Å; M407-I429 HydrophobicContact CG-CG1 4.41Å
408	G	90.3	Very high	92.7	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	18%	0.182	C	C	.	.			trans	-125	-173.5	-176	0	0	0	0	0	114.8	R406 S428	R406-G408 PolarHBondContact O-N 2.75Å; G408-S428 PolarHBondContact N-OG 2.82Å; G408-S428 WeakPolarHBondContact O-CB 3.48Å; G408-S428 PolarHBondContact O-N 2.87Å; G408-S428 PolarHBondContact O-OG 3.46Å
409	T	93.6	Very high	92.6	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.184	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.6	172.6	-57.3	0	0	0	0	110	E302 E425 Y426	E302-T409 HydrophobicContact CB-CG2 4.22Å; E302-T409 PolarHBondContact N-O 2.71Å; T409-E425 HydrophobicContact CG2-CB 3.94Å; T409-Y426 WeakPolarHBondContact CA-O 3.5Å
410	I	95.4	Very high	92.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.7	173.2	-55	-56.8	0	0	0	108	A167 A171 V299 D300 F301 E425 Y426	A167-I410 HydrophobicContact CB-CD1 4.21Å; A171-I410 HydrophobicContact CB-CB 3.91Å; A171-I410 HydrophobicContact CB-CG1 4.08Å; A171-I410 HydrophobicContact CB-CG2 3.76Å; V299-I410 HydrophobicContact CG1-CG2 3.36Å; D300-I410 WeakPolarHBondContact O-CG2 3.49Å; F301-I410 HydrophobicContact CB-CD1 4.41Å; I410-E425 CarbonylContact O-C 3.57Å; I410-E425 VanDerWaalsContact O-CA 3.31Å; I410-E425 WeakPolarHBondContact O-CA 3.46Å; I410-Y426 HydrophobicContact CB-CD1 4.27Å; I410-Y426 HydrophobicContact CG1-CD1 4.17Å; I410-Y426 PolarHBondContact N-O 2.79Å; I410-Y426 PolarHBondContact O-N 2.89Å
411	K	94.7	Very high	92.5	Very high	27 Å²	27	44 Å²	44	12%	0.117	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.3	175.3	64.1	-179.9	-177	-146.7	0	110.1	D300 F301 E302	D300-K411 PolarHBondContact N-O 3.01Å; D300-K411 WeakPolarHBondContact O-CG 3.27Å; D300-K411 PolarHBondContact O-N 3.48Å; D300-K411 VanDerWaalsContact OD2-CE 3.27Å; D300-K411 WeakPolarHBondContact OD2-CE 3.34Å; D300-K411 IonicContact OD2-NZ 2.81Å; D300-K411 PolarHBondContact OD2-NZ 2.85Å; F301-K411 VanDerWaalsContact O-CE 3.26Å; F301-K411 WeakPolarHBondContact O-CE 3.36Å; F301-K411 PolarHBondContact O-NZ 2.94Å; E302-K411 WeakPolarHBondContact OE2-CB 3.45Å
412	F	96.5	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	168.8	-67.9	-90	0	0	0	108.4	A171 F175 I297 V299 V423 G424 L433	A171-F412 HydrophobicContact CB-CE2 4.13Å; A171-F412 HydrophobicContact CB-CZ 3.75Å; A171-F412 WeakPolarHBondContact O-CZ 3.48Å; F175-F412 HydrophobicContact CB-CE1 3.92Å; F175-F412 HydrophobicContact CB-CZ 4.01Å; F175-F412 HydrophobicContact CD2-CD1 4.09Å; F175-F412 HydrophobicContact CD2-CE1 4.06Å; F175-F412 HydrophobicContact CD2-CZ 4.48Å; F175-F412 HydrophobicContact CE2-CD1 4.45Å; F175-F412 HydrophobicContact CG-CD1 4.4Å; F175-F412 AromaticContact CG-CE1 3.99Å; F175-F412 HydrophobicContact CG-CE1 3.99Å; F175-F412 HydrophobicContact CG-CZ 4.47Å; I297-F412 HydrophobicContact CG2-CD1 3.79Å; V299-F412 HydrophobicContact CB-CE1 4.49Å; V299-F412 HydrophobicContact CG1-CD1 4.22Å; V299-F412 HydrophobicContact CG1-CE1 3.88Å; V299-F412 HydrophobicContact CG1-CZ 4.22Å; V299-F412 HydrophobicContact CG2-CD1 3.8Å; V299-F412 HydrophobicContact CG2-CE1 3.73Å; F412-V423 HydrophobicContact CB-CG2 3.89Å; F412-V423 WeakPolarHBondContact O-CG2 3.5Å; F412-V423 PolarHBondContact O-N 3.24Å; F412-G424 PolarHBondContact N-O 2.97Å; F412-G424 PolarHBondContact O-N 3.44Å; F412-L433 HydrophobicContact CD2-CD1 3.93Å; F412-L433 HydrophobicContact CE2-CD1 3.52Å; F412-L433 HydrophobicContact CZ-CD1 4.34Å
413	N	95.6	Very high	92.8	Very high	21 Å²	21	38 Å²	38	11%	0.112	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.5	169.7	-77.4	1.3	0	0	0	108.9	I297 S298 E420 V421 K422	I297-N413 CarbonylContact C-O 3.56Å; I297-N413 WeakPolarHBondContact CA-O 3.41Å; S298-N413 PolarHBondContact N-O 3.01Å; S298-N413 PolarHBondContact O-N 3.16Å; S298-N413 VanDerWaalsContact OG-CB 3.23Å; S298-N413 WeakPolarHBondContact OG-CB 3.49Å; N413-E420 HydrophobicContact CB-CB 4.3Å; N413-E420 PolarHBondContact ND2-OE2 2.8Å; N413-V421 CarbonylContact C-O 3.57Å; N413-V421 VanDerWaalsContact CA-O 3.29Å; N413-V421 WeakPolarHBondContact CA-O 3.46Å; N413-K422 WeakPolarHBondContact OD1-CA 3.26Å
414	Q	96.3	Very high	93	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.4	167.8	-173.3	173.8	45.7	0	0	109.8	G295 Y296 I297 Q416 E420 V421 V423 R441	G295-Q414 PolarHBondContact O-NE2 2.71Å; Y296-Q414 WeakPolarHBondContact O-CA 3.37Å; I297-Q414 HydrophobicContact CD1-CB 3.82Å; I297-Q414 HydrophobicContact CD1-CG 3.85Å; Q414-Q416 HydrophobicContact CB-CG 4.4Å; Q414-Q416 HydrophobicContact CG-CG 4.08Å; Q414-Q416 PolarHBondContact O-N 2.93Å; Q414-E420 WeakPolarHBondContact O-CA 3.41Å; Q414-V421 PolarHBondContact N-O 2.87Å; Q414-V421 PolarHBondContact O-N 2.66Å; Q414-V423 HydrophobicContact CB-CG1 3.62Å; Q414-V423 HydrophobicContact CB-CG2 4.18Å; Q414-R441 PolarHBondContact NE2-O 3.46Å; Q414-R441 PolarHBondContact OE1-O 3.3Å
415	F	95.2	Very high	93.4	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	117.6	171.7	-167.5	-105.6	0	0	0	110.7	W276 L290 M293 G295 Y296 Q419 E420	W276-F415 HydrophobicContact CE3-CE2 4.13Å; W276-F415 HydrophobicContact CE3-CZ 4.5Å; W276-F415 AromaticContact CH2-CE2 3.58Å; W276-F415 HydrophobicContact CH2-CE2 3.58Å; W276-F415 HydrophobicContact CH2-CZ 4.32Å; W276-F415 HydrophobicContact CZ2-CE2 4.05Å; W276-F415 HydrophobicContact CZ2-CZ 4.37Å; W276-F415 HydrophobicContact CZ3-CD2 4.38Å; W276-F415 AromaticContact CZ3-CE2 3.62Å; W276-F415 HydrophobicContact CZ3-CE2 3.62Å; W276-F415 HydrophobicContact CZ3-CZ 4.38Å; L290-F415 HydrophobicContact CD2-CE1 3.99Å; L290-F415 HydrophobicContact CD2-CZ 3.65Å; M293-F415 HydrophobicContact CB-CD1 4.21Å; M293-F415 HydrophobicContact CB-CE1 4.25Å; M293-F415 HydrophobicContact CE-CZ 4.49Å; G295-F415 VanDerWaalsContact CA-O 3.3Å; G295-F415 WeakPolarHBondContact CA-O 3.34Å; G295-F415 PolarHBondContact N-O 2.93Å; Y296-F415 HydrophobicContact CD1-CB 3.7Å; Y296-F415 HydrophobicContact CD1-CD1 4.45Å; Y296-F415 HydrophobicContact CD1-CG 4.14Å; Y296-F415 HydrophobicContact CD2-CB 4.29Å; Y296-F415 HydrophobicContact CE1-CB 3.38Å; Y296-F415 HydrophobicContact CE1-CD1 4.04Å; Y296-F415 AromaticContact CE1-CD2 3.89Å; Y296-F415 HydrophobicContact CE1-CD2 3.89Å; Y296-F415 AromaticContact CE1-CG 3.5Å; Y296-F415 HydrophobicContact CE1-CG 3.5Å; Y296-F415 VanDerWaalsContact CE1-CG 3.5Å; Y296-F415 HydrophobicContact CE2-CB 4.07Å; Y296-F415 HydrophobicContact CG-CB 4.09Å; Y296-F415 AromaticContact CZ-CD2 3.97Å; Y296-F415 AromaticContact CZ-CG 3.92Å; Y296-F415 PolarHBondContact O-N 3.22Å; F415-Q419 CarbonylContact C-O 3.52Å; F415-Q419 WeakPolarHBondContact CA-O 3.34Å; F415-E420 HydrophobicContact CD2-CG 4.35Å
416	Q	94.4	Very high	93.6	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.4	-177.2	-60.4	-177.4	4.4	0	0	109.8	E294 Q414 G418 Q419 V421 S439	E294-Q416 WeakPolarHBondContact OE1-CA 3.26Å; Q414-Q416 HydrophobicContact CB-CG 4.4Å; Q414-Q416 HydrophobicContact CG-CG 4.08Å; Q414-Q416 PolarHBondContact O-N 2.93Å; Q416-G418 PolarHBondContact O-N 3.22Å; Q416-Q419 PolarHBondContact N-O 2.9Å; Q416-Q419 PolarHBondContact O-N 3.33Å; Q416-Q419 VanDerWaalsContact O-O 3.14Å; Q416-V421 HydrophobicContact CB-CG2 4.44Å; Q416-S439 PolarHBondContact NE2-O 3Å
417	D	90	Very high	93.7	Very high	133 Å²	133	32.9 Å²	32.9	71%	0.711	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	28.9	171.4	-63.2	-55.3	0	0	0	114	E294 R441	E294-D417 PolarHBondContact OE1-N 3.12Å; D417-R441 IonicContact OD2-NH1 2.64Å; D417-R441 PolarHBondContact OD2-NH1 2.82Å
418	G	88.4	Confident	93.8	Very high	25 Å²	25	32.3 Å²	32.3	26%	0.258	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	4.7	-178.8	0	0	0	0	0	116.7	W276 Q416	W276-G418 WeakPolarHBondContact CZ2-O 3.05Å; Q416-G418 PolarHBondContact O-N 3.22Å
419	Q	91.4	Very high	93.8	Very high	144 Å²	144	34.7 Å²	34.7	67%	0.673	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	153.8	178.5	-62.2	-171.8	5.5	0	0	112.4	F415 Q416	F415-Q419 CarbonylContact C-O 3.52Å; F415-Q419 WeakPolarHBondContact CA-O 3.34Å; Q416-Q419 PolarHBondContact N-O 2.9Å; Q416-Q419 PolarHBondContact O-N 3.33Å; Q416-Q419 VanDerWaalsContact O-O 3.14Å
420	E	92.3	Very high	93.7	Very high	72 Å²	72	35.9 Å²	35.9	34%	0.336	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.5	168.3	-70.4	-160.5	149.1	0	0	111.3	Y296 S298 N413 Q414 F415	Y296-E420 PolarHBondContact OH-OE1 3.27Å; S298-E420 VanDerWaalsContact CB-OE1 3.26Å; S298-E420 WeakPolarHBondContact CB-OE1 3.37Å; S298-E420 VanDerWaalsContact OG-CD 3.3Å; S298-E420 PolarHBondContact OG-OE1 2.67Å; N413-E420 HydrophobicContact CB-CB 4.3Å; N413-E420 PolarHBondContact ND2-OE2 2.8Å; Q414-E420 WeakPolarHBondContact O-CA 3.41Å; F415-E420 HydrophobicContact CD2-CG 4.35Å
421	V	94.1	Very high	93.6	Very high	53 Å²	53	39.6 Å²	39.6	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.6	177.4	-177.3	0	0	0	0	109.4	N413 Q414 Q416 V423	N413-V421 CarbonylContact C-O 3.57Å; N413-V421 VanDerWaalsContact CA-O 3.29Å; N413-V421 WeakPolarHBondContact CA-O 3.46Å; Q414-V421 PolarHBondContact N-O 2.87Å; Q414-V421 PolarHBondContact O-N 2.66Å; Q416-V421 HydrophobicContact CB-CG2 4.44Å; V421-V423 PolarHBondContact O-N 2.91Å
422	K	93.8	Very high	93.6	Very high	46 Å²	46	43.5 Å²	43.5	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.9	174.3	-175.8	176.1	174.8	-178.5	0	109.7	E302 S306 N413 E425	E302-K422 VanDerWaalsContact CD-NZ 3.27Å; E302-K422 IonicContact OE1-NZ 3.61Å; E302-K422 PolarHBondContact OE1-NZ 3.22Å; E302-K422 IonicContact OE2-NZ 3.65Å; E302-K422 PolarHBondContact OE2-NZ 3.46Å; S306-K422 PolarHBondContact OG-NZ 2.9Å; S306-K422 VanDerWaalsContact OG-NZ 3.12Å; N413-K422 WeakPolarHBondContact OD1-CA 3.26Å; K422-E425 IonicContact NZ-OE2 3.89Å; K422-E425 PolarHBondContact NZ-OE2 2.71Å
423	V	95.6	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-12.3	179.9	-66.2	0	0	0	0	113.5	I297 F412 Q414 V421 Q436 I440	I297-V423 HydrophobicContact CD1-CG2 4.44Å; F412-V423 HydrophobicContact CB-CG2 3.89Å; F412-V423 WeakPolarHBondContact O-CG2 3.5Å; F412-V423 PolarHBondContact O-N 3.24Å; Q414-V423 HydrophobicContact CB-CG1 3.62Å; Q414-V423 HydrophobicContact CB-CG2 4.18Å; V421-V423 PolarHBondContact O-N 2.91Å; V423-Q436 WeakPolarHBondContact O-CB 3.37Å; V423-Q436 PolarHBondContact O-N 3.41Å; V423-I440 HydrophobicContact CB-CB 4.14Å; V423-I440 HydrophobicContact CG1-CB 4.02Å; V423-I440 HydrophobicContact CG1-CG1 4.36Å; V423-I440 HydrophobicContact CG2-CD1 4.4Å
424	G	94.6	Very high	93.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	177.3	174.8	0	0	0	0	0	115	F412 D434	F412-G424 PolarHBondContact N-O 2.97Å; F412-G424 PolarHBondContact O-N 3.44Å; G424-D434 CarbonylContact C-O 3.51Å; G424-D434 WeakPolarHBondContact CA-O 3.5Å
425	E	94.6	Very high	93.2	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.9	174.2	61.6	-177.8	-133	0	0	112.1	T409 I410 K422 D434	T409-E425 HydrophobicContact CG2-CB 3.94Å; I410-E425 CarbonylContact O-C 3.57Å; I410-E425 VanDerWaalsContact O-CA 3.31Å; I410-E425 WeakPolarHBondContact O-CA 3.46Å; K422-E425 IonicContact NZ-OE2 3.89Å; K422-E425 PolarHBondContact NZ-OE2 2.71Å; E425-D434 HydrophobicContact CG-CB 4.38Å; E425-D434 PolarHBondContact N-O 3.06Å; E425-D434 PolarHBondContact O-N 2.99Å
426	Y	95.4	Very high	93	Very high	10 Å²	10	53.8 Å²	53.8	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	175.6	166.2	-103.1	0	0	0	109.9	P170 A171 K174 T409 I410 D431 I432 L433	P170-Y426 HydrophobicContact CB-CE1 4.34Å; A171-Y426 HydrophobicContact CB-CD1 3.39Å; A171-Y426 HydrophobicContact CB-CE1 4.01Å; A171-Y426 HydrophobicContact CB-CG 3.82Å; K174-Y426 HydrophobicContact CB-CD2 4.45Å; K174-Y426 HydrophobicContact CB-CE2 4.47Å; K174-Y426 HydrophobicContact CG-CD2 4.31Å; K174-Y426 HydrophobicContact CG-CE2 3.85Å; T409-Y426 WeakPolarHBondContact CA-O 3.5Å; I410-Y426 HydrophobicContact CB-CD1 4.27Å; I410-Y426 HydrophobicContact CG1-CD1 4.17Å; I410-Y426 PolarHBondContact N-O 2.79Å; I410-Y426 PolarHBondContact O-N 2.89Å; Y426-D431 PolarHBondContact OH-OD1 3.31Å; Y426-I432 WeakPolarHBondContact CA-O 3.38Å; Y426-I432 WeakPolarHBondContact CD2-O 3.42Å; Y426-L433 HydrophobicContact CD2-CB 4.29Å
427	N	94.2	Very high	92.2	Very high	35 Å²	35	57.9 Å²	57.9	19%	0.187	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.1	178.7	-177	-38	0	0	0	110	I429 A430 D431 I432	N427-I429 VanDerWaalsContact C-N 3.28Å; N427-I429 PolarHBondContact O-N 2.89Å; N427-I429 WeakPolarHBondContact OD1-CB 3.39Å; N427-I429 PolarHBondContact OD1-N 2.89Å; N427-A430 HydrophobicContact CB-CB 4.31Å; N427-A430 PolarHBondContact O-N 3.36Å; N427-A430 PolarHBondContact OD1-N 2.96Å; N427-D431 WeakPolarHBondContact O-CA 3.41Å; N427-D431 PolarHBondContact O-N 2.69Å; N427-I432 PolarHBondContact N-O 3.26Å; N427-I432 PolarHBondContact O-N 3.04Å
428	S	92.6	Very high	91.8	Very high	23 Å²	23	59.2 Å²	59.2	16%	0.161	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.5	-177.6	64.7	0	0	0	0	115.2	M407 G408	M407-S428 WeakPolarHBondContact CE-O 3.18Å; G408-S428 PolarHBondContact N-OG 2.82Å; G408-S428 WeakPolarHBondContact O-CB 3.48Å; G408-S428 PolarHBondContact O-N 2.87Å; G408-S428 PolarHBondContact O-OG 3.46Å
429	I	91.4	Very high	91.8	Very high	58 Å²	58	59.5 Å²	59.5	30%	0.297	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.2	176.3	-59.1	173.9	0	0	0	110.1	Q398 M400 M407 N427	Q398-I429 HydrophobicContact CB-CD1 3.84Å; Q398-I429 HydrophobicContact CG-CD1 4Å; M400-I429 HydrophobicContact CB-CD1 4.48Å; M407-I429 HydrophobicContact CB-CD1 4.12Å; M407-I429 HydrophobicContact CB-CG1 3.49Å; M407-I429 VanDerWaalsContact CB-CG1 3.49Å; M407-I429 HydrophobicContact CG-CG1 4.41Å; N427-I429 VanDerWaalsContact C-N 3.28Å; N427-I429 PolarHBondContact O-N 2.89Å; N427-I429 WeakPolarHBondContact OD1-CB 3.39Å; N427-I429 PolarHBondContact OD1-N 2.89Å
430	A	91.7	Very high	91.8	Very high	55 Å²	55	53.6 Å²	53.6	46%	0.455	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.4	-179.7	0	0	0	0	0	113.7	N427 I432	N427-A430 HydrophobicContact CB-CB 4.31Å; N427-A430 PolarHBondContact O-N 3.36Å; N427-A430 PolarHBondContact OD1-N 2.96Å; A430-I432 VanDerWaalsContact C-N 3.26Å; A430-I432 HydrophobicContact CB-CB 4.41Å; A430-I432 HydrophobicContact CB-CD1 4.07Å; A430-I432 HydrophobicContact CB-CG1 4.21Å; A430-I432 PolarHBondContact O-N 2.81Å
431	D	92.8	Very high	91.8	Very high	81 Å²	81	57 Å²	57	43%	0.433	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	31.8	-174.3	-167.1	31.3	0	0	0	114	K174 Y426 N427	K174-D431 WeakPolarHBondContact CE-OD1 3.24Å; K174-D431 PolarHBondContact NZ-O 3.48Å; K174-D431 VanDerWaalsContact NZ-O 3.08Å; K174-D431 IonicContact NZ-OD1 3.85Å; K174-D431 PolarHBondContact NZ-OD1 2.87Å; K174-D431 IonicContact NZ-OD2 3.17Å; K174-D431 PolarHBondContact NZ-OD2 3.18Å; Y426-D431 PolarHBondContact OH-OD1 3.31Å; N427-D431 WeakPolarHBondContact O-CA 3.41Å; N427-D431 PolarHBondContact O-N 2.69Å
432	I	94.3	Very high	91.7	Very high	108 Å²	108	56.5 Å²	56.5	55%	0.554	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.5	-176.8	-64.5	170.9	0	0	0	110.3	Y426 N427 A430	Y426-I432 WeakPolarHBondContact CA-O 3.38Å; Y426-I432 WeakPolarHBondContact CD2-O 3.42Å; N427-I432 PolarHBondContact N-O 3.26Å; N427-I432 PolarHBondContact O-N 3.04Å; A430-I432 VanDerWaalsContact C-N 3.26Å; A430-I432 HydrophobicContact CB-CB 4.41Å; A430-I432 HydrophobicContact CB-CD1 4.07Å; A430-I432 HydrophobicContact CB-CG1 4.21Å; A430-I432 PolarHBondContact O-N 2.81Å
433	L	94.8	Very high	91.3	Very high	34 Å²	34	58.2 Å²	58.2	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.8	168.2	175.7	68.9	0	0	0	109	K174 F175 F412 Y426 L435	K174-L433 HydrophobicContact CB-CB 4.33Å; K174-L433 HydrophobicContact CB-CD2 4.34Å; F175-L433 HydrophobicContact CB-CD2 4.42Å; F412-L433 HydrophobicContact CD2-CD1 3.93Å; F412-L433 HydrophobicContact CE2-CD1 3.52Å; F412-L433 HydrophobicContact CZ-CD1 4.34Å; Y426-L433 HydrophobicContact CD2-CB 4.29Å; L433-L435 HydrophobicContact CD1-CD2 4.12Å; L433-L435 HydrophobicContact CD1-CG 4.38Å; L433-L435 HydrophobicContact CD2-CD1 4.06Å; L433-L435 HydrophobicContact CD2-CD2 4.41Å; L433-L435 HydrophobicContact CD2-CG 4.09Å; L433-L435 HydrophobicContact CG-CD2 4.29Å; L433-L435 HydrophobicContact CG-CG 4.01Å
434	D	93.2	Very high	90.6	Very high	97 Å²	97	59.5 Å²	59.5	52%	0.519	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.1	175.3	-171.3	7	0	0	0	109.2	G424 E425	G424-D434 CarbonylContact C-O 3.51Å; G424-D434 WeakPolarHBondContact CA-O 3.5Å; E425-D434 HydrophobicContact CG-CB 4.38Å; E425-D434 PolarHBondContact N-O 3.06Å; E425-D434 PolarHBondContact O-N 2.99Å
435	L	92.5	Very high	90	Very high	18 Å²	18	67 Å²	67	9%	0.094	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.9	-177.9	-70.3	178.7	0	0	0	110.7	F175 Y178 Y179 L433 N437	F175-L435 HydrophobicContact CD2-CD1 4.44Å; F175-L435 HydrophobicContact CD2-CD2 4.2Å; F175-L435 HydrophobicContact CE2-CD1 4.45Å; F175-L435 HydrophobicContact CE2-CD2 4.14Å; Y178-L435 HydrophobicContact CD1-CD1 3.49Å; Y178-L435 VanDerWaalsContact CD1-CD1 3.49Å; Y178-L435 HydrophobicContact CD2-CD1 4.05Å; Y178-L435 HydrophobicContact CE1-CD1 3.55Å; Y178-L435 HydrophobicContact CE2-CD1 4.09Å; Y178-L435 HydrophobicContact CG-CD1 3.76Å; Y179-L435 HydrophobicContact CE2-CD1 4.36Å; L433-L435 HydrophobicContact CD1-CD2 4.12Å; L433-L435 HydrophobicContact CD1-CG 4.38Å; L433-L435 HydrophobicContact CD2-CD1 4.06Å; L433-L435 HydrophobicContact CD2-CD2 4.41Å; L433-L435 HydrophobicContact CD2-CG 4.09Å; L433-L435 HydrophobicContact CG-CD2 4.29Å; L433-L435 HydrophobicContact CG-CG 4.01Å; L435-N437 PolarHBondContact O-N 2.76Å; L435-N437 VanDerWaalsContact O-N 3.09Å
436	Q	89.9	Confident	89.6	Confident	91 Å²	91	71.5 Å²	71.5	43%	0.425	38%	0.381	S	S	.	.			trans	-82.7	87.2	176.1	-60	-175.7	4.8	0	0	109.5	V423 N438 S439 I440	V423-Q436 WeakPolarHBondContact O-CB 3.37Å; V423-Q436 PolarHBondContact O-N 3.41Å; Q436-N438 PolarHBondContact O-N 3.48Å; Q436-S439 WeakPolarHBondContact CB-OG 3.49Å; Q436-S439 WeakPolarHBondContact O-CB 3.29Å; Q436-S439 PolarHBondContact O-N 3.46Å; Q436-S439 PolarHBondContact OE1-OG 2.82Å; Q436-S439 VanDerWaalsContact OE1-OG 3.07Å; Q436-I440 PolarHBondContact O-N 3.09Å
437	N	77.8	Confident	89.3	Confident	101 Å²	101	73.2 Å²	73.2	54%	0.54	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.7	-176.7	-75.1	-11.8	0	0	0	114.9	Y178 L435	Y178-N437 PolarHBondContact OH-OD1 3.04Å; L435-N437 PolarHBondContact O-N 2.76Å; L435-N437 VanDerWaalsContact O-N 3.09Å
438	N	81.9	Confident	89.1	Confident	162 Å²	162	71.9 Å²	71.9	87%	0.866	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.6	177.6	-66.8	-2.8	0	0	0	113.4	Q436	Q436-N438 PolarHBondContact O-N 3.48Å
439	S	89.3	Confident	89	Confident	30 Å²	30	75.1 Å²	75.1	21%	0.21	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-39.3	-175.5	-54.8	0	0	0	0	111.7	Q416 Q436	Q416-S439 PolarHBondContact NE2-O 3Å; Q436-S439 WeakPolarHBondContact CB-OG 3.49Å; Q436-S439 WeakPolarHBondContact O-CB 3.29Å; Q436-S439 PolarHBondContact O-N 3.46Å; Q436-S439 PolarHBondContact OE1-OG 2.82Å; Q436-S439 VanDerWaalsContact OE1-OG 3.07Å
440	I	91.9	Very high	88.9	Confident	20 Å²	20	72.9 Å²	72.9	10%	0.103	39%	0.386	C	S	.	.			trans	-74.9	138.9	-177.6	-164.1	161.2	0	0	0	112.2	F175 I297 V423 Q436 F442	F175-I440 HydrophobicContact CE2-CD1 4.41Å; F175-I440 HydrophobicContact CZ-CD1 4.31Å; I297-I440 HydrophobicContact CD1-CD1 4.21Å; V423-I440 HydrophobicContact CB-CB 4.14Å; V423-I440 HydrophobicContact CG1-CB 4.02Å; V423-I440 HydrophobicContact CG1-CG1 4.36Å; V423-I440 HydrophobicContact CG2-CD1 4.4Å; Q436-I440 PolarHBondContact O-N 3.09Å; I440-F442 HydrophobicContact CD1-CE2 4.33Å; I440-F442 HydrophobicContact CD1-CZ 4.04Å; I440-F442 HydrophobicContact CG1-CE2 4.23Å; I440-F442 HydrophobicContact CG1-CZ 4.3Å
441	R	91.8	Very high	88.7	Confident	143 Å²	143	74.8 Å²	74.8	54%	0.54	38%	0.382	S	S	.	.			trans	-132.6	143.6	-179.1	-62	179.8	-176.5	170.7	4.3	110.5	Q414 D417	Q414-R441 PolarHBondContact NE2-O 3.46Å; Q414-R441 PolarHBondContact OE1-O 3.3Å; D417-R441 IonicContact OD2-NH1 2.64Å; D417-R441 PolarHBondContact OD2-NH1 2.82Å
442	F	90.9	Very high	88.2	Confident	44 Å²	44	73.4 Å²	73.4	19%	0.193	38%	0.376	C	S	.	.			trans	-119.8	151.1	169.6	-63.7	-80.8	0	0	0	109	Y179 W181 I440 G444 P447	Y179-F442 AromaticContact CE1-CE2 4Å; Y179-F442 HydrophobicContact CE1-CE2 4Å; Y179-F442 AromaticContact CE1-CZ 3.99Å; Y179-F442 HydrophobicContact CE1-CZ 3.99Å; Y179-F442 HydrophobicContact CE2-CZ 4.35Å; Y179-F442 AromaticContact CZ-CZ 3.83Å; W181-F442 HydrophobicContact CH2-CE1 4.48Å; I440-F442 HydrophobicContact CD1-CE2 4.33Å; I440-F442 HydrophobicContact CD1-CZ 4.04Å; I440-F442 HydrophobicContact CG1-CE2 4.23Å; I440-F442 HydrophobicContact CG1-CZ 4.3Å; F442-G444 PolarHBondContact O-N 2.83Å; F442-P447 HydrophobicContact CD1-CB 4.42Å; F442-P447 HydrophobicContact CD2-CB 4.24Å; F442-P447 HydrophobicContact CD2-CG 3.98Å; F442-P447 HydrophobicContact CE1-CB 4.21Å; F442-P447 HydrophobicContact CE2-CB 4.04Å; F442-P447 HydrophobicContact CE2-CG 3.76Å; F442-P447 HydrophobicContact CG-CB 4.44Å; F442-P447 HydrophobicContact CZ-CB 4.02Å; F442-P447 HydrophobicContact CZ-CG 4.2Å
443	Q	85.8	Confident	87.6	Confident	81 Å²	81	73.4 Å²	73.4	38%	0.379	37%	0.373	S	S	.	.	S	Bend	trans	-74.3	-13.6	176.5	-60.5	86.1	-9.8	0	0	112.5	E294	E294-Q443 PolarHBondContact O-NE2 2.76Å
444	G	81.3	Confident	87	Confident	27 Å²	27	75.1 Å²	75.1	28%	0.278	38%	0.384	S	S	.	.	S	Bend	trans	-96.8	166.8	168.9	0	0	0	0	0	111.9	F442 E446	F442-G444 PolarHBondContact O-N 2.83Å; G444-E446 PolarHBondContact O-N 3.29Å
445	V	82.2	Confident	86.6	Confident	158 Å²	158	77.9 Å²	77.9	96%	0.958	39%	0.387	S	S	*	.	S	Bend	trans	-66.2	-29	171.8	-177.4	0	0	0	0	111.5
446	E	85.2	Confident	86.3	Confident	125 Å²	125	81.8 Å²	81.8	58%	0.584	41%	0.408	S	S	*	.	S	Bend	trans	-121.2	157.6	175.2	-66.8	175.1	-172.9	0	0	109	G444 K449	G444-E446 PolarHBondContact O-N 3.29Å; E446-K449 IonicContact OE2-NZ 3.13Å
447	P	90.4	Very high	86.2	Confident	47 Å²	47	82 Å²	82	31%	0.305	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55.6	150.3	167.9	-21.5	32.4	0	0	0	111.8	Y179 W181 F442	Y179-P447 HydrophobicContact CD1-CB 3.96Å; Y179-P447 HydrophobicContact CD1-CG 3.72Å; Y179-P447 HydrophobicContact CE1-CB 4.26Å; Y179-P447 HydrophobicContact CE1-CG 3.7Å; W181-P447 HydrophobicContact CZ2-CB 4.16Å; F442-P447 HydrophobicContact CD1-CB 4.42Å; F442-P447 HydrophobicContact CD2-CB 4.24Å; F442-P447 HydrophobicContact CD2-CG 3.98Å; F442-P447 HydrophobicContact CE1-CB 4.21Å; F442-P447 HydrophobicContact CE2-CB 4.04Å; F442-P447 HydrophobicContact CE2-CG 3.76Å; F442-P447 HydrophobicContact CG-CB 4.44Å; F442-P447 HydrophobicContact CZ-CB 4.02Å; F442-P447 HydrophobicContact CZ-CG 4.2Å
448	P	90.6	Very high	86.6	Confident	7 Å²	7	80.2 Å²	80.2	5%	0.045	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-59.2	149.2	178.7	23.2	-32.8	0	0	0	111.8	W181 I236 Q264	W181-P448 HydrophobicContact CZ2-CG 3.97Å; W181-P448 PolarHBondContact NE1-O 2.94Å; I236-P448 HydrophobicContact CD1-CG 4.38Å; Q264-P448 HydrophobicContact CB-CG 3.96Å
449	K	89.4	Confident	86.8	Confident	91 Å²	91	76.5 Å²	76.5	40%	0.396	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-92.4	145.4	176.9	-66.3	-176.4	-179.3	-179.3	0	110.8	R235 E446 R451 F453	R235-K449 WeakPolarHBondContact CD-O 3.35Å; R235-K449 PolarHBondContact NH1-O 3.36Å; R235-K449 VanDerWaalsContact NH1-O 3.15Å; E446-K449 IonicContact OE2-NZ 3.13Å; K449-R451 PolarHBondContact O-N 3.06Å; K449-F453 HydrophobicContact CB-CE2 4.24Å; K449-F453 HydrophobicContact CD-CD2 4.07Å; K449-F453 HydrophobicContact CD-CE2 3.96Å
450	D	89.9	Confident	86.7	Confident	11 Å²	11	79.9 Å²	79.9	6%	0.059	38%	0.381	C	S	.	.	S	Bend	trans	-70.7	-14.3	-173	76.3	-2.4	0	0	0	115.2	W181 S182 R183 I236	W181-D450 HydrophobicContact CB-CB 4.48Å; S182-D450 WeakPolarHBondContact CA-OD2 3.45Å; S182-D450 WeakPolarHBondContact CB-OD2 3.36Å; S182-D450 PolarHBondContact N-OD2 3.01Å; S182-D450 PolarHBondContact OG-OD2 3.18Å; R183-D450 HydrophobicContact CB-CB 4.15Å; R183-D450 PolarHBondContact N-OD2 3.09Å; R183-D450 PolarHBondContact NH1-O 2.91Å; I236-D450 HydrophobicContact CG1-CB 4.22Å
451	R	86.6	Confident	86.5	Confident	94 Å²	94	79.6 Å²	79.6	36%	0.355	38%	0.379	S	S	.	.	S	Bend	trans	-155.2	159.8	176.8	69.7	-165.7	74.5	-161.3	6.5	111.1	S182 K449 F453	S182-R451 PolarHBondContact OG-NH2 2.92Å; K449-R451 PolarHBondContact O-N 3.06Å; R451-F453 HydrophobicContact CG-CE2 4.32Å
452	T	82.9	Confident	86.5	Confident	52 Å²	52	76.7 Å²	76.7	32%	0.319	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-64.3	129.3	163.3	44.3	0	0	0	0	111.5	D233	D233-T452 WeakPolarHBondContact OD2-CB 3.47Å; D233-T452 WeakPolarHBondContact OD2-CG2 3.49Å; D233-T452 PolarHBondContact OD2-N 3.33Å; D233-T452 PolarHBondContact OD2-OG1 3.26Å
453	F	80.8	Confident	86.5	Confident	109 Å²	109	78.3 Å²	78.3	48%	0.478	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.2	173.5	-79.6	-93.8	0	0	0	110.3	K449 R451 R455 D622 I623 A624	K449-F453 HydrophobicContact CB-CE2 4.24Å; K449-F453 HydrophobicContact CD-CD2 4.07Å; K449-F453 HydrophobicContact CD-CE2 3.96Å; R451-F453 HydrophobicContact CG-CE2 4.32Å; F453-R455 PolarHBondContact O-N 2.88Å; F453-D622 PolarHBondContact N-O 3.14Å; F453-I623 CarbonylContact O-C 3.35Å; F453-I623 WeakPolarHBondContact O-CA 3.39Å; F453-I623 WeakPolarHBondContact O-CG2 3.48Å; F453-A624 PolarHBondContact O-N 3.18Å
454	V	83.5	Confident	86.8	Confident	70 Å²	70	78.1 Å²	78.1	42%	0.424	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.5	176.1	-179.2	0	0	0	0	110	L614 A624 R626	V454-L614 HydrophobicContact CG1-CD2 3.72Å; V454-L614 HydrophobicContact CG2-CD2 4.04Å; V454-A624 CarbonylContact C-O 3.56Å; V454-A624 VanDerWaalsContact CA-O 3.29Å; V454-A624 WeakPolarHBondContact CA-O 3.27Å; V454-A624 HydrophobicContact CG2-CB 4.42Å; V454-R626 HydrophobicContact CG1-CB 3.85Å
455	R	84.2	Confident	87.4	Confident	155 Å²	155	78.9 Å²	78.9	59%	0.585	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.1	173.7	-175.4	175.2	-176.4	164.2	2.7	110.1	F453 I623 A624 I625 R626	F453-R455 PolarHBondContact O-N 2.88Å; R455-I623 HydrophobicContact CB-CG2 3.63Å; R455-A624 PolarHBondContact N-O 2.86Å; R455-I625 WeakPolarHBondContact O-CA 3.32Å; R455-R626 PolarHBondContact O-N 3.04Å
456	L	85.9	Confident	88	Confident	100 Å²	100	73.4 Å²	73.4	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	132	170.1	-60.6	176.1	0	0	0	109.8	R626 F628	L456-R626 WeakPolarHBondContact CA-O 3.3Å; L456-R626 HydrophobicContact CD2-CB 4.09Å; L456-R626 HydrophobicContact CD2-CG 4.46Å; L456-F628 HydrophobicContact CB-CD1 4.13Å; L456-F628 HydrophobicContact CB-CE1 3.97Å
457	Q	87.1	Confident	88.3	Confident	94 Å²	94	70.6 Å²	70.6	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.3	177.9	-178.3	167.5	-24.6	0	0	111.5	I625 R626 P627 F628	Q457-I625 HydrophobicContact CB-CG2 3.62Å; Q457-I625 HydrophobicContact CG-CG2 4.39Å; Q457-R626 PolarHBondContact N-O 2.83Å; Q457-P627 CarbonylContact O-C 3.56Å; Q457-P627 VanDerWaalsContact O-CA 3.3Å; Q457-P627 WeakPolarHBondContact O-CA 3.42Å; Q457-F628 WeakPolarHBondContact O-CD1 3.24Å; Q457-F628 PolarHBondContact O-N 3.46Å
458	R	86.4	Confident	88.6	Confident	64 Å²	64	73 Å²	73	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.1	177	-169.9	-176	-72.9	147.8	-21.6	110.9	G525 F628 E630	R458-G525 VanDerWaalsContact CZ-C 3.5Å; R458-G525 PolarHBondContact NH1-O 3.44Å; R458-G525 PolarHBondContact NH2-O 3.41Å; R458-F628 HydrophobicContact CB-CE1 4.09Å; R458-F628 HydrophobicContact CB-CE2 3.9Å; R458-F628 HydrophobicContact CB-CZ 3.65Å; R458-F628 HydrophobicContact CG-CD2 4.5Å; R458-F628 HydrophobicContact CG-CE2 3.96Å; R458-F628 HydrophobicContact CG-CZ 4.22Å; R458-E630 IonicContact CZ-OE1 3.65Å; R458-E630 IonicContact NE-OE1 3.96Å; R458-E630 PolarHBondContact NE-OE1 3.07Å; R458-E630 IonicContact NH2-OE1 3.6Å; R458-E630 PolarHBondContact NH2-OE1 3.04Å; R458-E630 IonicContact NH2-OE2 2.7Å
459	R	87.1	Confident	88.8	Confident	84 Å²	84	73 Å²	73	32%	0.317	36%	0.356	S	S	.	.			trans	-76.8	117.2	164.5	-71.7	-176.5	172.4	176.5	1.3	108.7	E615 P627 F628	R459-E615 IonicContact CZ-OE1 2.68Å; R459-E615 IonicContact NH2-OE1 3.68Å; R459-E615 PolarHBondContact NH2-OE1 3.01Å; R459-P627 HydrophobicContact CG-CB 4.12Å; R459-F628 PolarHBondContact N-O 3.36Å
460	H	86.8	Confident	89.1	Confident	102 Å²	102	69.2 Å²	69.2	47%	0.472	34%	0.341	S	S	.	.			trans	-111.5	157.4	-174.4	59.2	-88.3	0	0	0	112.6	D524	H460-D524 WeakPolarHBondContact CA-OD2 3.17Å
461	I	88.7	Confident	89.4	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.072	36%	0.36	C	S	.	.			trans	-69.5	130.9	168.5	-57.6	174.9	0	0	0	109.6	V463 D524 P701 N702 F705	I461-V463 PolarHBondContact O-N 3.34Å; I461-D524 HydrophobicContact CD1-CB 4.38Å; I461-D524 HydrophobicContact CG1-CB 4.5Å; I461-P701 HydrophobicContact CG1-CB 4.47Å; I461-N702 WeakPolarHBondContact CA-OD1 3.48Å; I461-F705 HydrophobicContact CD1-CB 4.24Å; I461-F705 HydrophobicContact CD1-CD2 4.43Å; I461-F705 HydrophobicContact CD1-CG 4.2Å; I461-F705 HydrophobicContact CG2-CD1 3.94Å; I461-F705 HydrophobicContact CG2-CE1 4.47Å; I461-F705 HydrophobicContact CG2-CG 4.4Å
462	N	90.1	Very high	89.8	Confident	82 Å²	82	71.1 Å²	71.1	44%	0.439	36%	0.36	S	S	.	.			trans	-68.8	123.5	-174.7	-164.6	8.1	0	0	0	111.4	P464 L465 Y466 N702	N462-P464 VanDerWaalsContact C-CD 3.49Å; N462-P464 WeakPolarHBondContact OD1-CD 3.49Å; N462-L465 HydrophobicContact CB-CB 4.4Å; N462-L465 WeakPolarHBondContact O-CB 3.47Å; N462-L465 PolarHBondContact O-N 3Å; N462-Y466 PolarHBondContact O-N 2.77Å; N462-Y466 VanDerWaalsContact O-N 3.16Å; N462-N702 WeakPolarHBondContact CB-OD1 3.49Å; N462-N702 PolarHBondContact N-OD1 3.13Å
463	V	91.1	Very high	90.4	Very high	77 Å²	77	68.6 Å²	68.6	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-56.8	-41.2	-171.5	-169.9	0	0	0	0	114	I461 L465 Y466 S467 F527	I461-V463 PolarHBondContact O-N 3.34Å; V463-L465 VanDerWaalsContact C-N 3.34Å; V463-L465 PolarHBondContact O-N 3.4Å; V463-Y466 PolarHBondContact O-N 3.45Å; V463-S467 WeakPolarHBondContact O-CB 3.31Å; V463-S467 PolarHBondContact O-N 3.34Å; V463-F527 HydrophobicContact CG2-CZ 4.1Å
464	P	93.6	Very high	91.2	Very high	77 Å²	77	67.2 Å²	67.2	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-37	176	-22.3	35.7	0	0	0	113.1	N462 S467 I468	N462-P464 VanDerWaalsContact C-CD 3.49Å; N462-P464 WeakPolarHBondContact OD1-CD 3.49Å; P464-S467 PolarHBondContact O-N 3.14Å; P464-I468 WeakPolarHBondContact O-CD1 3.38Å; P464-I468 VanDerWaalsContact O-CG1 3.27Å; P464-I468 WeakPolarHBondContact O-CG1 3.5Å; P464-I468 PolarHBondContact O-N 3.24Å
465	L	92.8	Very high	91.7	Very high	43 Å²	43	69.4 Å²	69.4	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-45.8	177.3	175.7	65	0	0	0	110.8	N462 V463 S467 I468 L469 N702 F705 C706	N462-L465 HydrophobicContact CB-CB 4.4Å; N462-L465 WeakPolarHBondContact O-CB 3.47Å; N462-L465 PolarHBondContact O-N 3Å; V463-L465 VanDerWaalsContact C-N 3.34Å; V463-L465 PolarHBondContact O-N 3.4Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.98Å; L465-I468 PolarHBondContact O-N 3.4Å; L465-L469 HydrophobicContact CD1-CD1 3.76Å; L465-L469 HydrophobicContact CD1-CG 4.36Å; L465-L469 HydrophobicContact CG-CD1 4.05Å; L465-L469 WeakPolarHBondContact O-CG 3.4Å; L465-L469 PolarHBondContact O-N 3.18Å; L465-L469 VanDerWaalsContact O-N 3.11Å; L465-N702 HydrophobicContact CD2-CB 4.31Å; L465-N702 WeakPolarHBondContact CD2-O 3.24Å; L465-F705 HydrophobicContact CD2-CD1 4.5Å; L465-C706 HydrophobicContact CD1-CB 4.33Å; L465-C706 HydrophobicContact CD2-CB 4.31Å
466	Y	93.9	Very high	92.3	Very high	43 Å²	43	62.4 Å²	62.4	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-43.3	175.2	178.3	-115.1	0	0	0	112.1	N462 V463 S470 F705	N462-Y466 PolarHBondContact O-N 2.77Å; N462-Y466 VanDerWaalsContact O-N 3.16Å; V463-Y466 PolarHBondContact O-N 3.45Å; Y466-S470 WeakPolarHBondContact O-CB 3.41Å; Y466-S470 PolarHBondContact O-N 3.49Å; Y466-S470 PolarHBondContact O-OG 3.27Å; Y466-F705 HydrophobicContact CD2-CE1 4.06Å; Y466-F705 AromaticContact CD2-CZ 3.74Å; Y466-F705 HydrophobicContact CD2-CZ 3.74Å; Y466-F705 HydrophobicContact CE2-CZ 4.31Å
467	S	93.1	Very high	92.7	Very high	66 Å²	66	60.5 Å²	60.5	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-49.6	177.5	-174.5	0	0	0	0	112.3	V463 P464 L465 L469 S470 T471	V463-S467 WeakPolarHBondContact O-CB 3.31Å; V463-S467 PolarHBondContact O-N 3.34Å; P464-S467 PolarHBondContact O-N 3.14Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.98Å; S467-L469 PolarHBondContact O-N 2.87Å; S467-S470 WeakPolarHBondContact O-CB 3.11Å; S467-S470 PolarHBondContact O-N 3.41Å; S467-T471 WeakPolarHBondContact O-CG2 3.38Å; S467-T471 PolarHBondContact O-N 2.97Å
468	I	95.8	Very high	93.2	Very high	99 Å²	99	61.6 Å²	61.6	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-51.7	179	-68.9	164	0	0	0	110.8	P464 L465 S470 T471 I472	P464-I468 WeakPolarHBondContact O-CD1 3.38Å; P464-I468 VanDerWaalsContact O-CG1 3.27Å; P464-I468 WeakPolarHBondContact O-CG1 3.5Å; P464-I468 PolarHBondContact O-N 3.24Å; L465-I468 PolarHBondContact O-N 3.4Å; I468-S470 VanDerWaalsContact C-N 3.3Å; I468-S470 PolarHBondContact O-N 2.89Å; I468-T471 PolarHBondContact O-N 3.45Å; I468-T471 PolarHBondContact O-OG1 2.95Å; I468-I472 HydrophobicContact CG2-CD1 4.11Å; I468-I472 WeakPolarHBondContact O-CG1 3.33Å; I468-I472 PolarHBondContact O-N 3.21Å
469	L	95.5	Very high	93.6	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-33.5	-179	-69	168.1	0	0	0	112.4	L465 S467 T473 F705 A709 L710 I713	L465-L469 HydrophobicContact CD1-CD1 3.76Å; L465-L469 HydrophobicContact CD1-CG 4.36Å; L465-L469 HydrophobicContact CG-CD1 4.05Å; L465-L469 WeakPolarHBondContact O-CG 3.4Å; L465-L469 PolarHBondContact O-N 3.18Å; L465-L469 VanDerWaalsContact O-N 3.11Å; S467-L469 PolarHBondContact O-N 2.87Å; L469-T473 WeakPolarHBondContact O-CB 3.05Å; L469-T473 PolarHBondContact O-N 2.98Å; L469-T473 PolarHBondContact O-OG1 3.23Å; L469-F705 HydrophobicContact CB-CE1 4.4Å; L469-F705 HydrophobicContact CD1-CD1 3.97Å; L469-F705 HydrophobicContact CD1-CE1 3.58Å; L469-F705 HydrophobicContact CD1-CZ 4.37Å; L469-A709 HydrophobicContact CD1-CB 4.01Å; L469-A709 HydrophobicContact CD2-CB 4.26Å; L469-L710 HydrophobicContact CD2-CD2 4.18Å; L469-L710 HydrophobicContact CD2-CG 4.37Å; L469-I713 HydrophobicContact CD2-CD1 4.38Å
470	S	95.3	Very high	94	Very high	13 Å²	13	57.1 Å²	57.1	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-46.3	173	-66.7	0	0	0	0	112.2	Y466 S467 I468 I472 T473 I474	Y466-S470 WeakPolarHBondContact O-CB 3.41Å; Y466-S470 PolarHBondContact O-N 3.49Å; Y466-S470 PolarHBondContact O-OG 3.27Å; S467-S470 WeakPolarHBondContact O-CB 3.11Å; S467-S470 PolarHBondContact O-N 3.41Å; I468-S470 VanDerWaalsContact C-N 3.3Å; I468-S470 PolarHBondContact O-N 2.89Å; S470-I472 PolarHBondContact O-N 2.96Å; S470-T473 WeakPolarHBondContact O-CB 3.38Å; S470-T473 PolarHBondContact O-N 3.06Å; S470-T473 VanDerWaalsContact O-N 3.16Å; S470-I474 WeakPolarHBondContact O-CG1 3.36Å; S470-I474 PolarHBondContact O-N 2.04Å
471	T	95.4	Very high	94.4	Very high	73 Å²	73	53.6 Å²	53.6	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-40.8	179.1	60.4	0	0	0	0	112.9	S467 I468 T473 I474 L475	S467-T471 WeakPolarHBondContact O-CG2 3.38Å; S467-T471 PolarHBondContact O-N 2.97Å; I468-T471 PolarHBondContact O-N 3.45Å; I468-T471 PolarHBondContact O-OG1 2.95Å; T471-T473 VanDerWaalsContact C-N 3.31Å; T471-T473 PolarHBondContact O-N 3.46Å; T471-I474 PolarHBondContact O-N 3.5Å; T471-L475 PolarHBondContact O-N 2.87Å; T471-L475 VanDerWaalsContact O-N 3.12Å
472	I	95.8	Very high	94.6	Very high	71 Å²	71	55.8 Å²	55.8	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-40.4	174.6	-63	168.8	0	0	0	110.5	I468 S470 L475 G476 I713	I468-I472 HydrophobicContact CG2-CD1 4.11Å; I468-I472 WeakPolarHBondContact O-CG1 3.33Å; I468-I472 PolarHBondContact O-N 3.21Å; S470-I472 PolarHBondContact O-N 2.96Å; I472-L475 PolarHBondContact O-N 3.34Å; I472-G476 PolarHBondContact O-N 3.09Å; I472-I713 HydrophobicContact CG2-CD1 4.11Å; I472-I713 HydrophobicContact CG2-CG2 3.97Å
473	T	96.1	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-40.3	177.2	-58.7	0	0	0	0	112	L469 S470 T471 G476 M477 Y515 I518 F519	L469-T473 WeakPolarHBondContact O-CB 3.05Å; L469-T473 PolarHBondContact O-N 2.98Å; L469-T473 PolarHBondContact O-OG1 3.23Å; S470-T473 WeakPolarHBondContact O-CB 3.38Å; S470-T473 PolarHBondContact O-N 3.06Å; S470-T473 VanDerWaalsContact O-N 3.16Å; T471-T473 VanDerWaalsContact C-N 3.31Å; T471-T473 PolarHBondContact O-N 3.46Å; T473-G476 PolarHBondContact O-N 2.03Å; T473-M477 WeakPolarHBondContact O-CG 3.4Å; T473-M477 PolarHBondContact O-N 2.87Å; T473-Y515 HydrophobicContact CG2-CD1 3.97Å; T473-Y515 HydrophobicContact CG2-CG 4.26Å; T473-Y515 WeakPolarHBondContact CG2-O 3.48Å; T473-I518 HydrophobicContact CG2-CB 4.35Å; T473-I518 HydrophobicContact CG2-CD1 4.07Å; T473-F519 HydrophobicContact CG2-CD2 4.36Å; T473-F519 HydrophobicContact CG2-CE2 3.49Å; T473-F519 VanDerWaalsContact CG2-CE2 3.49Å; T473-F519 HydrophobicContact CG2-CZ 3.65Å
474	I	96.3	Very high	95	Very high	80 Å²	80	51 Å²	51	41%	0.41	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-45.1	174.6	-66.6	166.4	0	0	0	110.9	S470 T471 G476 M477 L478 F519	S470-I474 WeakPolarHBondContact O-CG1 3.36Å; S470-I474 PolarHBondContact O-N 2.04Å; T471-I474 PolarHBondContact O-N 3.5Å; I474-G476 VanDerWaalsContact C-N 3.3Å; I474-G476 PolarHBondContact O-N 3.25Å; I474-M477 HydrophobicContact CG1-CE 4.36Å; I474-M477 PolarHBondContact O-N 3.01Å; I474-L478 HydrophobicContact CG2-CD1 4.11Å; I474-L478 HydrophobicContact CG2-CG 4.41Å; I474-L478 WeakPolarHBondContact O-CG 3.46Å; I474-L478 PolarHBondContact O-N 2.88Å; I474-F519 HydrophobicContact CG1-CE1 4.32Å; I474-F519 HydrophobicContact CG1-CZ 3.92Å
475	L	95.8	Very high	95	Very high	116 Å²	116	54 Å²	54	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-59.2	-41.5	175.1	-70.5	167.2	0	0	0	111.7	T471 I472 L478 M479	T471-L475 PolarHBondContact O-N 2.87Å; T471-L475 VanDerWaalsContact O-N 3.12Å; I472-L475 PolarHBondContact O-N 3.34Å; L475-L478 PolarHBondContact O-N 3.39Å; L475-M479 WeakPolarHBondContact O-CB 3.05Å; L475-M479 PolarHBondContact O-N 2.74Å
476	G	95.1	Very high	94.9	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-42.5	173.6	0	0	0	0	0	113.5	I472 T473 I474 M479 A480	I472-G476 PolarHBondContact O-N 3.09Å; T473-G476 PolarHBondContact O-N 2.03Å; I474-G476 VanDerWaalsContact C-N 3.3Å; I474-G476 PolarHBondContact O-N 3.25Å; G476-M479 PolarHBondContact O-N 2.98Å; G476-A480 WeakPolarHBondContact O-CB 3.04Å; G476-A480 PolarHBondContact O-N 3.19Å
477	M	95.8	Very high	94.8	Very high	60 Å²	60	51.4 Å²	51.4	30%	0.296	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-40.5	176.1	-70.1	-165.8	-61.9	0	0	112.8	T473 I474 A480 G481 Y515 F519	T473-M477 WeakPolarHBondContact O-CG 3.4Å; T473-M477 PolarHBondContact O-N 2.87Å; I474-M477 HydrophobicContact CG1-CE 4.36Å; I474-M477 PolarHBondContact O-N 3.01Å; M477-A480 WeakPolarHBondContact O-CB 3.46Å; M477-A480 PolarHBondContact O-N 2.96Å; M477-G481 PolarHBondContact O-N 3.3Å; M477-Y515 HydrophobicContact CG-CD2 3.92Å; M477-Y515 HydrophobicContact CG-CG 3.98Å; M477-F519 HydrophobicContact CE-CE2 3.49Å; M477-F519 VanDerWaalsContact CE-CE2 3.49Å; M477-F519 HydrophobicContact CE-CZ 3.71Å; M477-F519 HydrophobicContact SD-CE2 4.17Å
478	L	96.1	Very high	94.7	Very high	116 Å²	116	52.1 Å²	52.1	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-62.8	-43	175.3	-70.1	172.8	0	0	0	111.3	I474 L475 G481 A482	I474-L478 HydrophobicContact CG2-CD1 4.11Å; I474-L478 HydrophobicContact CG2-CG 4.41Å; I474-L478 WeakPolarHBondContact O-CG 3.46Å; I474-L478 PolarHBondContact O-N 2.88Å; L475-L478 PolarHBondContact O-N 3.39Å; L478-G481 PolarHBondContact O-N 3.39Å; L478-A482 PolarHBondContact O-N 2.8Å
479	M	94.8	Very high	94.4	Very high	54 Å²	54	54.5 Å²	54.5	27%	0.266	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-44.1	173.7	-175.6	-171.8	64.8	0	0	111.8	L475 G476 G481 A482 F483 T717 L720	L475-M479 WeakPolarHBondContact O-CB 3.05Å; L475-M479 PolarHBondContact O-N 2.74Å; G476-M479 PolarHBondContact O-N 2.98Å; M479-G481 VanDerWaalsContact C-N 3.33Å; M479-G481 PolarHBondContact O-N 3.29Å; M479-A482 PolarHBondContact O-N 3.11Å; M479-F483 HydrophobicContact CE-CE2 4.17Å; M479-F483 HydrophobicContact CG-CD2 4.07Å; M479-F483 HydrophobicContact CG-CE2 3.57Å; M479-F483 HydrophobicContact CG-CZ 4.13Å; M479-F483 WeakPolarHBondContact O-CD2 3.44Å; M479-F483 PolarHBondContact O-N 3.41Å; M479-F483 HydrophobicContact SD-CE2 3.83Å; M479-F483 HydrophobicContact SD-CZ 4.35Å; M479-T717 HydrophobicContact CE-CG2 4.01Å; M479-L720 HydrophobicContact CE-CB 4.37Å; M479-L720 HydrophobicContact CE-CD1 4.28Å
480	A	95.3	Very high	94	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-42	174.7	0	0	0	0	0	111.8	G476 M477 F483 L484 I508 M512 L720	G476-A480 WeakPolarHBondContact O-CB 3.04Å; G476-A480 PolarHBondContact O-N 3.19Å; M477-A480 WeakPolarHBondContact O-CB 3.46Å; M477-A480 PolarHBondContact O-N 2.96Å; A480-F483 PolarHBondContact O-N 2.03Å; A480-L484 WeakPolarHBondContact O-CB 3.33Å; A480-L484 PolarHBondContact O-N 2.74Å; A480-I508 HydrophobicContact CB-CG2 4.05Å; A480-I508 WeakPolarHBondContact O-CG2 3.45Å; A480-M512 VanDerWaalsContact C-CE 3.49Å; A480-M512 HydrophobicContact CB-CE 3.83Å; A480-M512 HydrophobicContact CB-CG 3.99Å; A480-L720 HydrophobicContact CB-CD1 3.85Å
481	G	95.5	Very high	93.6	Very high	29 Å²	29	62.2 Å²	62.2	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.1	0	0	0	0	0	113	M477 L478 M479 L484 F485 M512	M477-G481 PolarHBondContact O-N 3.3Å; L478-G481 PolarHBondContact O-N 3.39Å; M479-G481 VanDerWaalsContact C-N 3.33Å; M479-G481 PolarHBondContact O-N 3.29Å; G481-L484 PolarHBondContact O-N 3.46Å; G481-F485 WeakPolarHBondContact O-CB 3.27Å; G481-F485 PolarHBondContact O-N 3.17Å; G481-M512 VanDerWaalsContact CA-CE 3.48Å; G481-M512 VanDerWaalsContact N-CE 3.29Å
482	A	94.5	Very high	93	Very high	59 Å²	59	64.7 Å²	64.7	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.2	0	0	0	0	0	112.3	L478 M479 F486	L478-A482 PolarHBondContact O-N 2.8Å; M479-A482 PolarHBondContact O-N 3.11Å; A482-F486 WeakPolarHBondContact O-CB 3.22Å; A482-F486 PolarHBondContact O-N 3.38Å
483	F	94.4	Very high	92.3	Very high	19 Å²	19	64.3 Å²	64.3	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-36.5	174.8	-69.1	-41.3	0	0	0	112.8	M479 A480 F486 N487 I508 L720 F724 V725	M479-F483 HydrophobicContact CE-CE2 4.17Å; M479-F483 HydrophobicContact CG-CD2 4.07Å; M479-F483 HydrophobicContact CG-CE2 3.57Å; M479-F483 HydrophobicContact CG-CZ 4.13Å; M479-F483 WeakPolarHBondContact O-CD2 3.44Å; M479-F483 PolarHBondContact O-N 3.41Å; M479-F483 HydrophobicContact SD-CE2 3.83Å; M479-F483 HydrophobicContact SD-CZ 4.35Å; A480-F483 PolarHBondContact O-N 2.03Å; F483-F486 PolarHBondContact O-N 2.86Å; F483-N487 WeakPolarHBondContact O-CB 3.33Å; F483-N487 PolarHBondContact O-N 3.09Å; F483-I508 HydrophobicContact CB-CD1 4.18Å; F483-L720 HydrophobicContact CD2-CB 4.18Å; F483-L720 HydrophobicContact CE2-CB 4.17Å; F483-F724 HydrophobicContact CB-CB 4.5Å; F483-F724 HydrophobicContact CB-CD2 4.46Å; F483-F724 HydrophobicContact CB-CG 4.26Å; F483-F724 HydrophobicContact CD1-CB 3.74Å; F483-F724 HydrophobicContact CD1-CG 4.4Å; F483-F724 HydrophobicContact CD2-CB 4.31Å; F483-F724 HydrophobicContact CE1-CB 3.95Å; F483-F724 HydrophobicContact CE2-CB 4.48Å; F483-F724 HydrophobicContact CG-CB 3.95Å; F483-F724 HydrophobicContact CG-CD2 4.48Å; F483-F724 HydrophobicContact CG-CG 4.21Å; F483-F724 HydrophobicContact CZ-CB 4.31Å; F483-V725 HydrophobicContact CZ-CG2 4.07Å
484	L	94	Very high	91.4	Very high	41 Å²	41	70.8 Å²	70.8	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-49.6	175.8	-174.1	60.1	0	0	0	111	A480 G481 F486 N487 I488 N505 I508 M512	A480-L484 WeakPolarHBondContact O-CB 3.33Å; A480-L484 PolarHBondContact O-N 2.74Å; G481-L484 PolarHBondContact O-N 3.46Å; L484-F486 VanDerWaalsContact C-N 3.34Å; L484-F486 PolarHBondContact O-N 3.39Å; L484-N487 PolarHBondContact O-N 3.12Å; L484-I488 HydrophobicContact CD1-CD1 3.92Å; L484-I488 HydrophobicContact CD1-CG1 4.36Å; L484-I488 HydrophobicContact CG-CD1 3.85Å; L484-I488 WeakPolarHBondContact O-CB 3.33Å; L484-I488 VanDerWaalsContact O-CG1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.37Å; L484-I488 PolarHBondContact O-N 2.85Å; L484-N505 HydrophobicContact CD1-CB 4.23Å; L484-I508 HydrophobicContact CB-CD1 4.22Å; L484-I508 HydrophobicContact CB-CG2 4.03Å; L484-I508 HydrophobicContact CD1-CD1 4.22Å; L484-M512 HydrophobicContact CD2-CE 4.16Å; L484-M512 HydrophobicContact CD2-SD 4.47Å
485	F	93.7	Very high	90.5	Very high	138 Å²	138	70.1 Å²	70.1	61%	0.605	35%	0.349	S	S	*	.	H	α-helix	trans	-57.7	-46.1	175.6	176.7	-103.1	0	0	0	111.8	G481 N487 I488 K489	G481-F485 WeakPolarHBondContact O-CB 3.27Å; G481-F485 PolarHBondContact O-N 3.17Å; F485-N487 PolarHBondContact O-N 2.94Å; F485-I488 PolarHBondContact O-N 3.01Å; F485-K489 HydrophobicContact CE1-CD 4.13Å; F485-K489 HydrophobicContact CZ-CD 4.12Å; F485-K489 VanDerWaalsContact O-CB 3.29Å; F485-K489 WeakPolarHBondContact O-CB 3.46Å; F485-K489 PolarHBondContact O-N 2.9Å
486	F	91.6	Very high	89.8	Confident	31 Å²	31	64.7 Å²	64.7	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-45.1	176.4	171.3	-100	0	0	0	112.8	A482 F483 L484 N490 I496 L728 M731	A482-F486 WeakPolarHBondContact O-CB 3.22Å; A482-F486 PolarHBondContact O-N 3.38Å; F483-F486 PolarHBondContact O-N 2.86Å; L484-F486 VanDerWaalsContact C-N 3.34Å; L484-F486 PolarHBondContact O-N 3.39Å; F486-N490 VanDerWaalsContact CD2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CD2-ND2 2.99Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact O-CB 3.49Å; F486-N490 PolarHBondContact O-N 2.8Å; F486-N490 VanDerWaalsContact O-N 3.17Å; F486-N490 PolarHBondContact O-ND2 3.36Å; F486-N490 VanDerWaalsContact O-ND2 3.11Å; F486-I496 HydrophobicContact CE1-CD1 4.16Å; F486-I496 HydrophobicContact CZ-CD1 4.39Å; F486-L728 HydrophobicContact CD2-CD1 3.82Å; F486-L728 HydrophobicContact CE1-CB 4.49Å; F486-L728 HydrophobicContact CE1-CD1 4.35Å; F486-L728 HydrophobicContact CE2-CD1 3.38Å; F486-L728 HydrophobicContact CG-CD1 4.47Å; F486-L728 HydrophobicContact CZ-CB 4.27Å; F486-L728 HydrophobicContact CZ-CD1 3.67Å; F486-M731 HydrophobicContact CE1-CE 4.47Å; F486-M731 HydrophobicContact CE2-CE 3.53Å; F486-M731 HydrophobicContact CZ-CE 3.43Å; F486-M731 VanDerWaalsContact CZ-CE 3.43Å; F486-M731 HydrophobicContact CZ-CG 4.42Å
487	N	90.5	Very high	89.2	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-36.6	-179.5	-170.3	57.1	0	0	0	112.1	F483 L484 F485 R491 I496 P501 N504 N505 F724	F483-N487 WeakPolarHBondContact O-CB 3.33Å; F483-N487 PolarHBondContact O-N 3.09Å; L484-N487 PolarHBondContact O-N 3.12Å; F485-N487 PolarHBondContact O-N 2.94Å; N487-R491 WeakPolarHBondContact O-CA 3.42Å; N487-R491 PolarHBondContact O-N 2.81Å; N487-I496 WeakPolarHBondContact OD1-CG2 3.47Å; N487-P501 PolarHBondContact ND2-O 3.48Å; N487-P501 VanDerWaalsContact ND2-O 3.12Å; N487-N504 WeakPolarHBondContact ND2-CB 3.39Å; N487-N505 PolarHBondContact ND2-OD1 2.9Å; N487-F724 HydrophobicContact CB-CE1 4.29Å
488	I	91.1	Very high	88.2	Confident	81 Å²	81	73 Å²	73	42%	0.415	36%	0.355	S	S	.	.	H	α-helix	trans	-69.8	-50.5	175.9	-68	170.3	0	0	0	111	L484 F485 N490 R491	L484-I488 HydrophobicContact CD1-CD1 3.92Å; L484-I488 HydrophobicContact CD1-CG1 4.36Å; L484-I488 HydrophobicContact CG-CD1 3.85Å; L484-I488 WeakPolarHBondContact O-CB 3.33Å; L484-I488 VanDerWaalsContact O-CG1 3.31Å; L484-I488 WeakPolarHBondContact O-CG1 3.37Å; L484-I488 PolarHBondContact O-N 2.85Å; F485-I488 PolarHBondContact O-N 3.01Å; I488-N490 VanDerWaalsContact C-N 3.29Å; I488-N490 PolarHBondContact O-N 3.03Å; I488-R491 WeakPolarHBondContact O-CB 3.3Å; I488-R491 VanDerWaalsContact O-CG 3.27Å; I488-R491 WeakPolarHBondContact O-CG 3.23Å; I488-R491 PolarHBondContact O-N 2.92Å
489	K	90.8	Very high	87.4	Confident	149 Å²	149	67.9 Å²	67.9	65%	0.648	33%	0.329	S	S	*	.	H	α-helix	trans	-56.8	-44.2	-179.2	-178.1	173.8	179.9	176	0	111.5	F485	F485-K489 HydrophobicContact CE1-CD 4.13Å; F485-K489 HydrophobicContact CZ-CD 4.12Å; F485-K489 VanDerWaalsContact O-CB 3.29Å; F485-K489 WeakPolarHBondContact O-CB 3.46Å; F485-K489 PolarHBondContact O-N 2.9Å
490	N	86.5	Confident	87	Confident	44 Å²	44	65.6 Å²	65.6	24%	0.235	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	15.4	-174.8	-59.2	-51.7	0	0	0	113.8	F486 I488 N492 H493 I496 M731	F486-N490 VanDerWaalsContact CD2-ND2 3.31Å; F486-N490 WeakPolarHBondContact CD2-ND2 2.99Å; F486-N490 WeakPolarHBondContact CE2-ND2 3.44Å; F486-N490 WeakPolarHBondContact O-CB 3.49Å; F486-N490 PolarHBondContact O-N 2.8Å; F486-N490 VanDerWaalsContact O-N 3.17Å; F486-N490 PolarHBondContact O-ND2 3.36Å; F486-N490 VanDerWaalsContact O-ND2 3.11Å; I488-N490 VanDerWaalsContact C-N 3.29Å; I488-N490 PolarHBondContact O-N 3.03Å; N490-N492 PolarHBondContact O-N 3.07Å; N490-H493 VanDerWaalsContact O-CB 3.3Å; N490-H493 WeakPolarHBondContact O-CB 2.99Å; N490-H493 PolarHBondContact O-N 2.87Å; N490-I496 HydrophobicContact CB-CD1 3.46Å; N490-I496 VanDerWaalsContact CB-CD1 3.46Å; N490-M731 HydrophobicContact CB-CE 3.68Å; N490-M731 WeakPolarHBondContact ND2-CE 3.5Å
491	R	86	Confident	86.5	Confident	136 Å²	136	66.4 Å²	66.4	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.3	-175.2	70.3	-175.8	-177	172.7	-2.3	115.3	N487 I488	N487-R491 WeakPolarHBondContact O-CA 3.42Å; N487-R491 PolarHBondContact O-N 2.81Å; I488-R491 WeakPolarHBondContact O-CB 3.3Å; I488-R491 VanDerWaalsContact O-CG 3.27Å; I488-R491 WeakPolarHBondContact O-CG 3.23Å; I488-R491 PolarHBondContact O-N 2.92Å
492	N	82.6	Confident	86.3	Confident	126 Å²	126	71.5 Å²	71.5	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.9	-179.4	-72.4	-16.7	0	0	0	113	N490	N490-N492 PolarHBondContact O-N 3.07Å
493	H	81.8	Confident	86.1	Confident	63 Å²	63	68.7 Å²	68.7	29%	0.292	31%	0.312	S	S	.	.	S	Bend	trans	-66.7	140	-179	-172	-113.6	0	0	0	111.3	N490 L495 I496 K497 M731	N490-H493 VanDerWaalsContact O-CB 3.3Å; N490-H493 WeakPolarHBondContact O-CB 2.99Å; N490-H493 PolarHBondContact O-N 2.87Å; H493-L495 VanDerWaalsContact C-N 3.29Å; H493-L495 PolarHBondContact O-N 2.7Å; H493-I496 PolarHBondContact O-N 3.29Å; H493-I496 VanDerWaalsContact O-N 3.13Å; H493-K497 WeakPolarHBondContact O-CB 3.43Å; H493-K497 PolarHBondContact O-N 3.47Å; H493-M731 HydrophobicContact CB-SD 4.41Å; H493-M731 PolarHBondContact ND1-SD 3.12Å
494	R	77.4	Confident	85.9	Confident	136 Å²	136	67.8 Å²	67.8	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-55.3	-40.7	-169.4	-177.1	175.8	170.4	-174.8	-3.6	113.2	M498 A738	R494-M498 HydrophobicContact CG-CE 4.14Å; R494-M498 HydrophobicContact CG-SD 4.48Å; R494-M498 WeakPolarHBondContact O-CG 3.35Å; R494-M498 PolarHBondContact O-N 2.89Å; R494-M498 VanDerWaalsContact O-N 3.1Å; R494-A738 PolarHBondContact NH1-O 3.23Å
495	L	76.8	Confident	85.8	Confident	66 Å²	66	67.6 Å²	67.6	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-49.3	179	-175.1	65.3	0	0	0	112.2	H493 S499 T730 M731	H493-L495 VanDerWaalsContact C-N 3.29Å; H493-L495 PolarHBondContact O-N 2.7Å; L495-S499 PolarHBondContact O-N 3.05Å; L495-T730 HydrophobicContact CD2-CG2 4.07Å; L495-M731 HydrophobicContact CD2-CG 3.83Å
496	I	81.7	Confident	85.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-73.3	-38.8	-178	-72.6	166.5	0	0	0	110.8	F486 N487 N490 H493 M498 S499 P501 M731	F486-I496 HydrophobicContact CE1-CD1 4.16Å; F486-I496 HydrophobicContact CZ-CD1 4.39Å; N487-I496 WeakPolarHBondContact OD1-CG2 3.47Å; N490-I496 HydrophobicContact CB-CD1 3.46Å; N490-I496 VanDerWaalsContact CB-CD1 3.46Å; H493-I496 PolarHBondContact O-N 3.29Å; H493-I496 VanDerWaalsContact O-N 3.13Å; I496-M498 VanDerWaalsContact C-N 3.3Å; I496-M498 PolarHBondContact O-N 3.29Å; I496-S499 PolarHBondContact O-N 3.26Å; I496-S499 VanDerWaalsContact O-N 3.09Å; I496-P501 HydrophobicContact CG2-CB 4.01Å; I496-M731 HydrophobicContact CD1-CE 3.9Å; I496-M731 HydrophobicContact CD1-SD 4.02Å
497	K	82.3	Confident	85.9	Confident	142 Å²	142	61.6 Å²	61.6	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-61.3	-34.5	176.1	-169.5	171.2	-176.4	171.9	0	112.8	H493	H493-K497 WeakPolarHBondContact O-CB 3.43Å; H493-K497 PolarHBondContact O-N 3.47Å
498	M	76.1	Confident	86.2	Confident	101 Å²	101	61.6 Å²	61.6	50%	0.498	28%	0.282	S	S	.	.	H	α-helix	trans	-74.3	-31.5	173.3	-73	-175.1	175.4	0	0	112.9	R494 I496 S500 A669	R494-M498 HydrophobicContact CG-CE 4.14Å; R494-M498 HydrophobicContact CG-SD 4.48Å; R494-M498 WeakPolarHBondContact O-CG 3.35Å; R494-M498 PolarHBondContact O-N 2.89Å; R494-M498 VanDerWaalsContact O-N 3.1Å; I496-M498 VanDerWaalsContact C-N 3.3Å; I496-M498 PolarHBondContact O-N 3.29Å; M498-S500 PolarHBondContact O-N 3.44Å; M498-S500 VanDerWaalsContact O-N 3.17Å; M498-A669 HydrophobicContact SD-CB 4.29Å
499	S	79.2	Confident	86.4	Confident	8 Å²	8	61.9 Å²	61.9	6%	0.056	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	4.6	176.9	-175.6	0	0	0	0	114.4	L495 I496 N504 K558 D672 K727	L495-S499 PolarHBondContact O-N 3.05Å; I496-S499 PolarHBondContact O-N 3.26Å; I496-S499 VanDerWaalsContact O-N 3.09Å; S499-N504 PolarHBondContact OG-ND2 3.25Å; S499-K558 WeakPolarHBondContact O-CE 3.2Å; S499-K558 PolarHBondContact O-NZ 2.87Å; S499-K558 PolarHBondContact OG-NZ 3.23Å; S499-D672 WeakPolarHBondContact CB-OD2 3.5Å; S499-D672 PolarHBondContact OG-OD2 3.17Å; S499-K727 WeakPolarHBondContact OG-CE 3.39Å; S499-K727 PolarHBondContact OG-NZ 2.96Å
500	S	85	Confident	86.6	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.042	25%	0.253	C	S	.	.			trans	61.4	79.9	-176.9	-41.8	0	0	0	0	112.2	M498 Y502 M503 N504 R561	M498-S500 PolarHBondContact O-N 3.44Å; M498-S500 VanDerWaalsContact O-N 3.17Å; S500-Y502 VanDerWaalsContact C-N 3.28Å; S500-Y502 PolarHBondContact O-N 2.91Å; S500-M503 WeakPolarHBondContact O-CB 3.13Å; S500-M503 PolarHBondContact O-N 3.46Å; S500-N504 PolarHBondContact O-N 3.35Å; S500-R561 PolarHBondContact OG-NH1 3.49Å
501	P	86.1	Confident	87	Confident	17 Å²	17	52.9 Å²	52.9	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-32.1	-167.7	22.4	-32.5	0	0	0	113.9	N487 I496 N504 N505	N487-P501 PolarHBondContact ND2-O 3.48Å; N487-P501 VanDerWaalsContact ND2-O 3.12Å; I496-P501 HydrophobicContact CG2-CB 4.01Å; P501-N504 PolarHBondContact O-N 2.97Å; P501-N505 PolarHBondContact O-N 2.84Å
502	Y	89.9	Confident	87.4	Confident	137 Å²	137	48.8 Å²	48.8	54%	0.537	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-36.3	176.2	-66.7	-71.6	0	0	0	113.1	S500 N505 L506	S500-Y502 VanDerWaalsContact C-N 3.28Å; S500-Y502 PolarHBondContact O-N 2.91Å; Y502-N505 PolarHBondContact O-N 3.25Å; Y502-L506 PolarHBondContact O-N 2.84Å; Y502-L506 VanDerWaalsContact O-N 3.12Å
503	M	90.2	Very high	88	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-39.9	175	-66.2	-72.6	125.2	0	0	111	S500 N505 L506 I507 A554 A557 K558 L581 L582 V585	S500-M503 WeakPolarHBondContact O-CB 3.13Å; S500-M503 PolarHBondContact O-N 3.46Å; M503-N505 VanDerWaalsContact C-N 3.32Å; M503-N505 PolarHBondContact O-N 3.41Å; M503-L506 HydrophobicContact CE-CD1 4.34Å; M503-L506 PolarHBondContact O-N 3.42Å; M503-I507 WeakPolarHBondContact O-CG1 2.97Å; M503-I507 PolarHBondContact O-N 3.05Å; M503-A554 HydrophobicContact SD-CB 4.37Å; M503-A557 HydrophobicContact SD-CB 4.1Å; M503-K558 HydrophobicContact CB-CD 3.78Å; M503-K558 HydrophobicContact CB-CG 3.83Å; M503-K558 HydrophobicContact CG-CG 4.06Å; M503-L581 HydrophobicContact CE-CB 3.56Å; M503-L581 HydrophobicContact CG-CD2 4.08Å; M503-L581 HydrophobicContact SD-CB 3.95Å; M503-L581 HydrophobicContact SD-CD2 4.19Å; M503-L582 HydrophobicContact CE-CB 4.3Å; M503-L582 HydrophobicContact CE-CD2 3.44Å; M503-L582 VanDerWaalsContact CE-CD2 3.44Å; M503-L582 HydrophobicContact CE-CG 3.58Å; M503-V585 HydrophobicContact CE-CG2 4.43Å; M503-V585 HydrophobicContact SD-CG2 4.24Å
504	N	90.3	Very high	88.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-40	173.2	-75.5	-20.4	0	0	0	111.8	N487 S499 S500 P501 I507 I508 K558 F724	N487-N504 WeakPolarHBondContact ND2-CB 3.39Å; S499-N504 PolarHBondContact OG-ND2 3.25Å; S500-N504 PolarHBondContact O-N 3.35Å; P501-N504 PolarHBondContact O-N 2.97Å; N504-I507 PolarHBondContact O-N 3.39Å; N504-I508 WeakPolarHBondContact O-CG1 3.17Å; N504-I508 PolarHBondContact O-N 3.01Å; N504-K558 WeakPolarHBondContact OD1-CE 3.38Å; N504-K558 PolarHBondContact OD1-NZ 2.94Å; N504-F724 HydrophobicContact CB-CE1 3.88Å; N504-F724 HydrophobicContact CB-CZ 3.73Å
505	N	93.1	Very high	89.5	Confident	37 Å²	37	36.3 Å²	36.3	20%	0.198	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174.6	-73.1	-9.1	0	0	0	112.3	L484 N487 P501 Y502 M503 I508 L509	L484-N505 HydrophobicContact CD1-CB 4.23Å; N487-N505 PolarHBondContact ND2-OD1 2.9Å; P501-N505 PolarHBondContact O-N 2.84Å; Y502-N505 PolarHBondContact O-N 3.25Å; M503-N505 VanDerWaalsContact C-N 3.32Å; M503-N505 PolarHBondContact O-N 3.41Å; N505-I508 PolarHBondContact O-N 2.67Å; N505-L509 WeakPolarHBondContact O-CB 3.03Å; N505-L509 PolarHBondContact O-N 3.34Å
506	L	93.5	Very high	90.4	Very high	40 Å²	40	34.8 Å²	34.8	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-37.6	176.9	-72.1	179.2	0	0	0	112.9	Y502 M503 I508 L509 G510 T550 A554 L582 V585	Y502-L506 PolarHBondContact O-N 2.84Å; Y502-L506 VanDerWaalsContact O-N 3.12Å; M503-L506 HydrophobicContact CE-CD1 4.34Å; M503-L506 PolarHBondContact O-N 3.42Å; L506-I508 VanDerWaalsContact C-N 3.32Å; L506-I508 PolarHBondContact O-N 3.33Å; L506-L509 PolarHBondContact O-N 3.2Å; L506-G510 PolarHBondContact O-N 2.94Å; L506-T550 HydrophobicContact CB-CG2 4.21Å; L506-T550 HydrophobicContact CD2-CG2 3.98Å; L506-A554 HydrophobicContact CB-CB 3.82Å; L506-L582 HydrophobicContact CD1-CD2 3.53Å; L506-V585 HydrophobicContact CD1-CG1 4.37Å
507	I	94.1	Very high	91	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-44.5	174	-65.6	167.6	0	0	0	110.5	M503 N504 G511 A554 M555 K558 T719	M503-I507 WeakPolarHBondContact O-CG1 2.97Å; M503-I507 PolarHBondContact O-N 3.05Å; N504-I507 PolarHBondContact O-N 3.39Å; I507-G511 PolarHBondContact O-N 3.31Å; I507-A554 HydrophobicContact CD1-CB 4.47Å; I507-A554 HydrophobicContact CG1-CB 3.69Å; I507-M555 HydrophobicContact CD1-CG 3.63Å; I507-M555 HydrophobicContact CG1-CG 3.97Å; I507-K558 HydrophobicContact CD1-CD 4.22Å; I507-T719 HydrophobicContact CG2-CG2 4.27Å
508	I	95.4	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-43.7	178.9	-59.7	161.8	0	0	0	111.5	A480 F483 L484 N504 N505 L506 G511 M512 L720 F724	A480-I508 HydrophobicContact CB-CG2 4.05Å; A480-I508 WeakPolarHBondContact O-CG2 3.45Å; F483-I508 HydrophobicContact CB-CD1 4.18Å; L484-I508 HydrophobicContact CB-CD1 4.22Å; L484-I508 HydrophobicContact CB-CG2 4.03Å; L484-I508 HydrophobicContact CD1-CD1 4.22Å; N504-I508 WeakPolarHBondContact O-CG1 3.17Å; N504-I508 PolarHBondContact O-N 3.01Å; N505-I508 PolarHBondContact O-N 2.67Å; L506-I508 VanDerWaalsContact C-N 3.32Å; L506-I508 PolarHBondContact O-N 3.33Å; I508-G511 PolarHBondContact O-N 3.41Å; I508-G511 VanDerWaalsContact O-N 3.16Å; I508-M512 HydrophobicContact CG2-CE 4.05Å; I508-M512 HydrophobicContact CG2-SD 4.43Å; I508-M512 WeakPolarHBondContact O-CG 3.35Å; I508-M512 PolarHBondContact O-N 3.17Å; I508-L720 HydrophobicContact CB-CD2 4.39Å; I508-L720 HydrophobicContact CG1-CD2 3.84Å; I508-F724 HydrophobicContact CD1-CE1 3.89Å; I508-F724 HydrophobicContact CD1-CE2 3.79Å; I508-F724 HydrophobicContact CD1-CZ 3.4Å; I508-F724 HydrophobicContact CG1-CD2 4.45Å; I508-F724 HydrophobicContact CG1-CE2 3.54Å; I508-F724 HydrophobicContact CG1-CZ 3.6Å
509	L	95.4	Very high	92.5	Very high	87 Å²	87	25.4 Å²	25.4	46%	0.455	13%	0.131	S	C	.	.	H	α-helix	trans	-64.2	-42.2	-179.8	-166.6	155.5	0	0	0	111.4	N505 L506 G511 M512 L513	N505-L509 WeakPolarHBondContact O-CB 3.03Å; N505-L509 PolarHBondContact O-N 3.34Å; L506-L509 PolarHBondContact O-N 3.2Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.35Å; L509-M512 PolarHBondContact O-N 3.29Å; L509-L513 HydrophobicContact CD2-CD1 3.75Å; L509-L513 HydrophobicContact CD2-CG 4.25Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.34Å
510	G	95.3	Very high	93.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-40.3	171.5	0	0	0	0	0	112.6	L506 L513 S514 G547	L506-G510 PolarHBondContact O-N 2.94Å; G510-L513 PolarHBondContact O-N 2.71Å; G510-S514 PolarHBondContact O-N 3.26Å; G510-S514 PolarHBondContact O-OG 3.45Å; G510-S514 VanDerWaalsContact O-OG 3.12Å; G510-G547 WeakPolarHBondContact CA-O 3.47Å
511	G	94.3	Very high	93.3	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-40.4	173.2	0	0	0	0	0	113.8	I507 I508 L509 S514 Y515	I507-G511 PolarHBondContact O-N 3.31Å; I508-G511 PolarHBondContact O-N 3.41Å; I508-G511 VanDerWaalsContact O-N 3.16Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.35Å; G511-S514 PolarHBondContact O-N 3Å; G511-Y515 WeakPolarHBondContact O-CD2 3.5Å; G511-Y515 PolarHBondContact O-N 2.94Å
512	M	95.7	Very high	93.4	Very high	50 Å²	50	27.6 Å²	27.6	25%	0.246	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-42.1	174.1	-71.9	176	168.7	0	0	112.1	A480 G481 L484 I508 L509 Y515 A516	A480-M512 VanDerWaalsContact C-CE 3.49Å; A480-M512 HydrophobicContact CB-CE 3.83Å; A480-M512 HydrophobicContact CB-CG 3.99Å; G481-M512 VanDerWaalsContact CA-CE 3.48Å; G481-M512 VanDerWaalsContact N-CE 3.29Å; L484-M512 HydrophobicContact CD2-CE 4.16Å; L484-M512 HydrophobicContact CD2-SD 4.47Å; I508-M512 HydrophobicContact CG2-CE 4.05Å; I508-M512 HydrophobicContact CG2-SD 4.43Å; I508-M512 WeakPolarHBondContact O-CG 3.35Å; I508-M512 PolarHBondContact O-N 3.17Å; L509-M512 PolarHBondContact O-N 3.29Å; M512-Y515 PolarHBondContact O-N 2.93Å; M512-A516 PolarHBondContact O-N 3Å
513	L	95.2	Very high	93.4	Very high	51 Å²	51	23.3 Å²	23.3	27%	0.267	13%	0.125	S	C	.	.	H	α-helix	trans	-63.7	-41.3	174.3	-70.1	172.8	0	0	0	111.9	L509 G510 Y515 A516 S517 I543 V546	L509-L513 HydrophobicContact CD2-CD1 3.75Å; L509-L513 HydrophobicContact CD2-CG 4.25Å; L509-L513 WeakPolarHBondContact O-CG 3.38Å; L509-L513 PolarHBondContact O-N 3.34Å; G510-L513 PolarHBondContact O-N 2.71Å; L513-Y515 PolarHBondContact O-N 3.4Å; L513-A516 WeakPolarHBondContact O-CB 3.29Å; L513-A516 PolarHBondContact O-N 3.3Å; L513-S517 PolarHBondContact O-N 3.27Å; L513-S517 VanDerWaalsContact O-N 3.16Å; L513-I543 HydrophobicContact CB-CG2 4.42Å; L513-I543 VanDerWaalsContact O-CG2 3.23Å; L513-I543 WeakPolarHBondContact O-CG2 3.23Å; L513-V546 HydrophobicContact CD1-CG1 4.11Å
514	S	94.9	Very high	93.1	Very high	11 Å²	11	24 Å²	24	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-43.3	174.3	-63.2	0	0	0	0	112.2	G510 G511 S517	G510-S514 PolarHBondContact O-N 3.26Å; G510-S514 PolarHBondContact O-OG 3.45Å; G510-S514 VanDerWaalsContact O-OG 3.12Å; G511-S514 PolarHBondContact O-N 3Å; S514-S517 PolarHBondContact O-N 3.36Å; S514-S517 PolarHBondContact O-OG 2.97Å
515	Y	95.8	Very high	92.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-40	173	-72	-53.9	0	0	0	112.6	T473 M477 G511 M512 L513 S517 I518 I713 T717 L720	T473-Y515 HydrophobicContact CG2-CD1 3.97Å; T473-Y515 HydrophobicContact CG2-CG 4.26Å; T473-Y515 WeakPolarHBondContact CG2-O 3.48Å; M477-Y515 HydrophobicContact CG-CD2 3.92Å; M477-Y515 HydrophobicContact CG-CG 3.98Å; G511-Y515 WeakPolarHBondContact O-CD2 3.5Å; G511-Y515 PolarHBondContact O-N 2.94Å; M512-Y515 PolarHBondContact O-N 2.93Å; L513-Y515 PolarHBondContact O-N 3.4Å; Y515-S517 PolarHBondContact O-N 3.26Å; Y515-I518 HydrophobicContact CD1-CD1 4.32Å; Y515-I518 PolarHBondContact O-N 3.11Å; Y515-I518 VanDerWaalsContact O-N 3.15Å; Y515-I713 HydrophobicContact CE1-CG1 4.48Å; Y515-T717 PolarHBondContact OH-N 3.39Å; Y515-T717 PolarHBondContact OH-OG1 3.15Å; Y515-L720 HydrophobicContact CE2-CD1 4.32Å
516	A	94.9	Very high	91.8	Very high	35 Å²	35	24.9 Å²	24.9	29%	0.289	15%	0.146	S	C	.	.	H	α-helix	trans	-59.5	-32.8	177.5	0	0	0	0	0	112.7	M512 L513 I518 F519 I543	M512-A516 PolarHBondContact O-N 3Å; L513-A516 WeakPolarHBondContact O-CB 3.29Å; L513-A516 PolarHBondContact O-N 3.3Å; A516-I518 VanDerWaalsContact C-N 3.28Å; A516-I518 PolarHBondContact O-N 3.18Å; A516-F519 PolarHBondContact O-N 3.1Å; A516-I543 HydrophobicContact CB-CG2 4.4Å
517	S	94.8	Very high	91.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-30.4	177.5	76.5	0	0	0	0	113.8	L513 S514 Y515 F519 L520 F521	L513-S517 PolarHBondContact O-N 3.27Å; L513-S517 VanDerWaalsContact O-N 3.16Å; S514-S517 PolarHBondContact O-N 3.36Å; S514-S517 PolarHBondContact O-OG 2.97Å; Y515-S517 PolarHBondContact O-N 3.26Å; S517-F519 PolarHBondContact O-N 3.02Å; S517-L520 PolarHBondContact O-N 3.16Å; S517-L520 VanDerWaalsContact O-N 3.11Å; S517-F521 WeakPolarHBondContact O-CD2 3.37Å; S517-F521 PolarHBondContact O-N 3.32Å
518	I	95.1	Very high	91.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-40.7	-177.1	-62.8	169.8	0	0	0	111.3	T473 Y515 A516 L520 F521 G522 F705 A709 I712 I713	T473-I518 HydrophobicContact CG2-CB 4.35Å; T473-I518 HydrophobicContact CG2-CD1 4.07Å; Y515-I518 HydrophobicContact CD1-CD1 4.32Å; Y515-I518 PolarHBondContact O-N 3.11Å; Y515-I518 VanDerWaalsContact O-N 3.15Å; A516-I518 VanDerWaalsContact C-N 3.28Å; A516-I518 PolarHBondContact O-N 3.18Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.28Å; I518-F521 PolarHBondContact O-N 2.99Å; I518-G522 PolarHBondContact O-N 3.07Å; I518-F705 HydrophobicContact CG2-CE2 4.48Å; I518-F705 HydrophobicContact CG2-CZ 4.39Å; I518-A709 HydrophobicContact CG2-CB 3.99Å; I518-I712 HydrophobicContact CD1-CB 4.08Å; I518-I712 HydrophobicContact CD1-CG2 3.82Å; I518-I712 HydrophobicContact CG1-CB 4.3Å; I518-I712 HydrophobicContact CG1-CD1 4.25Å; I518-I712 HydrophobicContact CG1-CG2 4.07Å; I518-I713 HydrophobicContact CD1-CD1 4.2Å; I518-I713 HydrophobicContact CD1-CG1 3.63Å
519	F	93.9	Very high	90.7	Very high	45 Å²	45	32.4 Å²	32.4	20%	0.197	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.2	-59	-78.6	0	0	0	111	T473 I474 M477 A516 S517 F521 G522 L523	T473-F519 HydrophobicContact CG2-CD2 4.36Å; T473-F519 HydrophobicContact CG2-CE2 3.49Å; T473-F519 VanDerWaalsContact CG2-CE2 3.49Å; T473-F519 HydrophobicContact CG2-CZ 3.65Å; I474-F519 HydrophobicContact CG1-CE1 4.32Å; I474-F519 HydrophobicContact CG1-CZ 3.92Å; M477-F519 HydrophobicContact CE-CE2 3.49Å; M477-F519 VanDerWaalsContact CE-CE2 3.49Å; M477-F519 HydrophobicContact CE-CZ 3.71Å; M477-F519 HydrophobicContact SD-CE2 4.17Å; A516-F519 PolarHBondContact O-N 3.1Å; S517-F519 PolarHBondContact O-N 3.02Å; F519-F521 VanDerWaalsContact C-N 3.31Å; F519-F521 PolarHBondContact O-N 3.28Å; F519-G522 PolarHBondContact O-N 3.41Å; F519-L523 PolarHBondContact O-N 3.31Å
520	L	92.3	Very high	90.2	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-25.9	179	-56.3	-178.1	0	0	0	113.5	S517 I518 L523 L536 V539 R540 I543	S517-L520 PolarHBondContact O-N 3.16Å; S517-L520 VanDerWaalsContact O-N 3.11Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.28Å; L520-L523 HydrophobicContact CD2-CD1 4.31Å; L520-L536 HydrophobicContact CD2-CD2 4.02Å; L520-V539 HydrophobicContact CD1-CG1 3.82Å; L520-R540 HydrophobicContact CB-CB 3.76Å; L520-R540 HydrophobicContact CD1-CB 4.42Å; L520-I543 HydrophobicContact CD1-CD1 3.79Å
521	F	90	Very high	89.6	Confident	48 Å²	48	40.1 Å²	40.1	21%	0.211	22%	0.22	C	C	.	.	H	α-helix	trans	-76.1	-22.6	172.7	-81.5	-68.4	0	0	0	113.7	S517 I518 F519 R540 L544 F705	S517-F521 WeakPolarHBondContact O-CD2 3.37Å; S517-F521 PolarHBondContact O-N 3.32Å; I518-F521 PolarHBondContact O-N 2.99Å; F519-F521 VanDerWaalsContact C-N 3.31Å; F519-F521 PolarHBondContact O-N 3.28Å; F521-R540 HydrophobicContact CD1-CG 4.43Å; F521-R540 HydrophobicContact CE1-CG 3.99Å; F521-R540 HydrophobicContact CZ-CB 4.42Å; F521-R540 HydrophobicContact CZ-CG 4.17Å; F521-L544 HydrophobicContact CE2-CD2 4.01Å; F521-L544 HydrophobicContact CZ-CD2 4.12Å; F521-F705 HydrophobicContact CB-CD2 4.1Å; F521-F705 HydrophobicContact CB-CE2 4.01Å
522	G	88.1	Confident	89.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-91.8	-9.8	177.4	0	0	0	0	0	114.8	I518 F519 D524	I518-G522 PolarHBondContact O-N 3.07Å; F519-G522 PolarHBondContact O-N 3.41Å; G522-D524 PolarHBondContact O-N 3.36Å; G522-D524 VanDerWaalsContact O-N 3.1Å
523	L	88.4	Confident	89	Confident	47 Å²	47	42.8 Å²	42.8	25%	0.246	23%	0.231	C	C	.	.			trans	-78.6	88.9	172.1	-70	176.8	0	0	0	110.5	F519 L520 F527 V528 L536	F519-L523 PolarHBondContact O-N 3.31Å; L520-L523 HydrophobicContact CD2-CD1 4.31Å; L523-F527 HydrophobicContact CD2-CB 4.38Å; L523-V528 HydrophobicContact CB-CG2 4.26Å; L523-V528 HydrophobicContact CD2-CG2 4.28Å; L523-L536 HydrophobicContact CB-CD1 3.89Å; L523-L536 HydrophobicContact CD1-CD1 4.13Å; L523-L536 HydrophobicContact CD1-CD2 4.46Å
524	D	84.1	Confident	88.6	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.07	24%	0.237	C	C	.	.			trans	-84.6	163.5	173.6	-169.5	11.7	0	0	0	111.6	H460 I461 G522 G526 F527	H460-D524 WeakPolarHBondContact CA-OD2 3.17Å; I461-D524 HydrophobicContact CD1-CB 4.38Å; I461-D524 HydrophobicContact CG1-CB 4.5Å; G522-D524 PolarHBondContact O-N 3.36Å; G522-D524 VanDerWaalsContact O-N 3.1Å; D524-G526 PolarHBondContact O-N 3.45Å; D524-F527 PolarHBondContact O-N 2.95Å
525	G	77.4	Confident	88.3	Confident	6 Å²	6	47.9 Å²	47.9	6%	0.062	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-4.3	180	0	0	0	0	0	114.9	R458 V528	R458-G525 VanDerWaalsContact CZ-C 3.5Å; R458-G525 PolarHBondContact NH1-O 3.44Å; R458-G525 PolarHBondContact NH2-O 3.41Å; G525-V528 CarbonylContact C-O 3.5Å; G525-V528 VanDerWaalsContact O-O 3.1Å
526	G	80	Confident	88.1	Confident	50 Å²	50	49.2 Å²	49.2	52%	0.515	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.9	167.6	0	0	0	0	0	114.6	D524	D524-G526 PolarHBondContact O-N 3.45Å
527	F	84	Confident	87.7	Confident	117 Å²	117	47.6 Å²	47.6	51%	0.513	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-15.4	-179.5	-69.4	-75.1	0	0	0	113.7	V463 L523 D524	V463-F527 HydrophobicContact CG2-CZ 4.1Å; L523-F527 HydrophobicContact CD2-CB 4.38Å; D524-F527 PolarHBondContact O-N 2.95Å
528	V	87.8	Confident	87.5	Confident	26 Å²	26	48.6 Å²	48.6	16%	0.158	26%	0.258	C	S	.	.	S	Bend	trans	-139.8	144.2	-163.6	176.8	0	0	0	0	108.8	L523 G525 E532 L536	L523-V528 HydrophobicContact CB-CG2 4.26Å; L523-V528 HydrophobicContact CD2-CG2 4.28Å; G525-V528 CarbonylContact C-O 3.5Å; G525-V528 VanDerWaalsContact O-O 3.1Å; V528-E532 HydrophobicContact CG1-CB 3.23Å; V528-E532 HydrophobicContact CG1-CG 4.36Å; V528-L536 HydrophobicContact CB-CD1 4.25Å; V528-L536 HydrophobicContact CG1-CD1 3.79Å; V528-L536 HydrophobicContact CG2-CD1 3.94Å
529	S	87	Confident	87.4	Confident	58 Å²	58	51.7 Å²	51.7	41%	0.406	28%	0.277	S	S	.	.			trans	-70.8	155.3	-179.1	72.3	0	0	0	0	112.7	K531 E532 F533	S529-K531 PolarHBondContact O-N 3.49Å; S529-E532 VanDerWaalsContact CB-OE2 3.26Å; S529-E532 WeakPolarHBondContact CB-OE2 3.44Å; S529-E532 PolarHBondContact N-OE2 3.49Å; S529-E532 PolarHBondContact O-N 3.36Å; S529-E532 WeakPolarHBondContact OG-CG 3.45Å; S529-E532 PolarHBondContact OG-OE2 2.94Å; S529-F533 PolarHBondContact O-N 3.27Å
530	D	84.3	Confident	87.2	Confident	75 Å²	75	52.1 Å²	52.1	40%	0.401	28%	0.277	S	S	.	.	H	α-helix	trans	-49.3	-37.4	-178.1	-66.3	15.1	0	0	0	114	R607	D530-R607 VanDerWaalsContact CG-CZ 3.41Å; D530-R607 IonicContact OD1-CZ 2.69Å; D530-R607 IonicContact OD1-NH1 2.91Å; D530-R607 IonicContact OD1-NH2 2.71Å; D530-R607 PolarHBondContact OD1-NH2 3.42Å; D530-R607 IonicContact OD2-CZ 2.76Å; D530-R607 VanDerWaalsContact OD2-CZ 3.26Å; D530-R607 IonicContact OD2-NH1 2.71Å; D530-R607 PolarHBondContact OD2-NH1 3.2Å; D530-R607 IonicContact OD2-NH2 3.94Å; D530-R607 PolarHBondContact OD2-NH2 3.48Å; D530-R607 VanDerWaalsContact OD2-NH2 3.17Å
531	K	83.9	Confident	87.1	Confident	174 Å²	174	51.9 Å²	51.9	76%	0.757	28%	0.277	S	S	*	.	H	α-helix	trans	-74.8	-39.2	178.5	-68.4	-177.4	178	178.9	0	112.9	S529 F533	S529-K531 PolarHBondContact O-N 3.49Å; K531-F533 VanDerWaalsContact C-N 3.32Å
532	E	88.3	Confident	87.3	Confident	104 Å²	104	53.1 Å²	53.1	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-70	-34.6	177.4	-69.1	163.5	143	0	0	110.3	V528 S529 E534 T535 L536	V528-E532 HydrophobicContact CG1-CB 3.23Å; V528-E532 HydrophobicContact CG1-CG 4.36Å; S529-E532 VanDerWaalsContact CB-OE2 3.26Å; S529-E532 WeakPolarHBondContact CB-OE2 3.44Å; S529-E532 PolarHBondContact N-OE2 3.49Å; S529-E532 PolarHBondContact O-N 3.36Å; S529-E532 WeakPolarHBondContact OG-CG 3.45Å; S529-E532 PolarHBondContact OG-OE2 2.94Å; E532-E534 PolarHBondContact O-N 3.46Å; E532-T535 PolarHBondContact O-N 2.92Å; E532-T535 VanDerWaalsContact O-N 3.09Å; E532-T535 PolarHBondContact O-OG1 3.22Å; E532-L536 WeakPolarHBondContact O-CG 3.13Å; E532-L536 PolarHBondContact O-N 2.96Å
533	F	87.9	Confident	87.6	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-44.2	174.6	-173.4	-94.9	0	0	0	112.7	S529 K531 T535 L536 C537 R607 E630	S529-F533 PolarHBondContact O-N 3.27Å; K531-F533 VanDerWaalsContact C-N 3.32Å; F533-T535 VanDerWaalsContact C-N 3.29Å; F533-T535 PolarHBondContact O-N 2.97Å; F533-L536 WeakPolarHBondContact O-CB 3.35Å; F533-L536 PolarHBondContact O-N 3.34Å; F533-L536 VanDerWaalsContact O-N 3.12Å; F533-C537 PolarHBondContact O-N 3.28Å; F533-C537 PolarHBondContact O-SG 3.03Å; F533-R607 HydrophobicContact CD1-CB 4.17Å; F533-R607 HydrophobicContact CD1-CG 4.06Å; F533-R607 HydrophobicContact CE1-CB 4.44Å; F533-R607 HydrophobicContact CE1-CG 4.17Å; F533-E630 HydrophobicContact CE1-CB 4.32Å; F533-E630 HydrophobicContact CZ-CB 4.18Å
534	E	87.9	Confident	87.9	Confident	86 Å²	86	55.4 Å²	55.4	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-39.4	174.4	-66.8	-173.3	158.9	0	0	112.4	E532 C537 T538 R607	E532-E534 PolarHBondContact O-N 3.46Å; E534-C537 WeakPolarHBondContact O-CB 3.41Å; E534-C537 PolarHBondContact O-N 3.26Å; E534-T538 PolarHBondContact O-N 2.9Å; E534-T538 PolarHBondContact O-OG1 2.93Å; E534-R607 HydrophobicContact CG-CB 4.02Å
535	T	88.8	Confident	88.4	Confident	84 Å²	84	55.8 Å²	55.8	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-68.7	-38.7	175.3	69.4	0	0	0	0	112	E532 F533 T538 V539	E532-T535 PolarHBondContact O-N 2.92Å; E532-T535 VanDerWaalsContact O-N 3.09Å; E532-T535 PolarHBondContact O-OG1 3.22Å; F533-T535 VanDerWaalsContact C-N 3.29Å; F533-T535 PolarHBondContact O-N 2.97Å; T535-T538 WeakPolarHBondContact O-CB 3.36Å; T535-T538 PolarHBondContact O-N 3.45Å; T535-V539 WeakPolarHBondContact O-CG2 3.36Å; T535-V539 PolarHBondContact O-N 3.37Å
536	L	90.1	Very high	89.2	Confident	27 Å²	27	57 Å²	57	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-38.8	175.6	-70.6	179	0	0	0	112.5	L520 L523 V528 E532 F533 T538 V539 R540	L520-L536 HydrophobicContact CD2-CD2 4.02Å; L523-L536 HydrophobicContact CB-CD1 3.89Å; L523-L536 HydrophobicContact CD1-CD1 4.13Å; L523-L536 HydrophobicContact CD1-CD2 4.46Å; V528-L536 HydrophobicContact CB-CD1 4.25Å; V528-L536 HydrophobicContact CG1-CD1 3.79Å; V528-L536 HydrophobicContact CG2-CD1 3.94Å; E532-L536 WeakPolarHBondContact O-CG 3.13Å; E532-L536 PolarHBondContact O-N 2.96Å; F533-L536 WeakPolarHBondContact O-CB 3.35Å; F533-L536 PolarHBondContact O-N 3.34Å; F533-L536 VanDerWaalsContact O-N 3.12Å; L536-T538 PolarHBondContact O-N 3.26Å; L536-V539 PolarHBondContact O-N 3.48Å; L536-R540 WeakPolarHBondContact O-CB 3.37Å; L536-R540 VanDerWaalsContact O-CG 3.29Å; L536-R540 WeakPolarHBondContact O-CG 3.36Å; L536-R540 PolarHBondContact O-N 2.95Å
537	C	88.1	Confident	90	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-51.4	-41.2	172.3	-68	0	0	0	0	111.7	F533 E534 T541 L605 C632	F533-C537 PolarHBondContact O-N 3.28Å; F533-C537 PolarHBondContact O-SG 3.03Å; E534-C537 WeakPolarHBondContact O-CB 3.41Å; E534-C537 PolarHBondContact O-N 3.26Å; C537-T541 PolarHBondContact O-OG1 2.97Å; C537-L605 HydrophobicContact CB-CB 4.35Å; C537-C632 HydrophobicContact CB-CB 3.56Å; C537-C632 WeakPolarHBondContact CB-SG 3.35Å; C537-C632 WeakPolarHBondContact SG-CB 3.34Å; C537-C632 CovalentContact SG-SG 2.03Å; C537-C632 PolarHBondContact SG-SG 3.19Å
538	T	90.5	Very high	90.5	Very high	22 Å²	22	50.9 Å²	50.9	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-74.1	-55.7	177.6	-56.7	0	0	0	0	110.8	E534 T535 L536 R540 T541 W542 Q600	E534-T538 PolarHBondContact O-N 2.9Å; E534-T538 PolarHBondContact O-OG1 2.93Å; T535-T538 WeakPolarHBondContact O-CB 3.36Å; T535-T538 PolarHBondContact O-N 3.45Å; L536-T538 PolarHBondContact O-N 3.26Å; T538-R540 PolarHBondContact O-N 2.67Å; T538-T541 WeakPolarHBondContact O-CB 3.33Å; T538-T541 PolarHBondContact O-N 2.98Å; T538-W542 PolarHBondContact O-N 3.26Å; T538-Q600 VanDerWaalsContact CG2-OE1 3.27Å
539	V	91.6	Very high	90.9	Very high	66 Å²	66	49.7 Å²	49.7	40%	0.4	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-39.7	-172.5	177.2	0	0	0	0	112.6	L520 T535 L536 T541 W542 I543	L520-V539 HydrophobicContact CD1-CG1 3.82Å; T535-V539 WeakPolarHBondContact O-CG2 3.36Å; T535-V539 PolarHBondContact O-N 3.37Å; L536-V539 PolarHBondContact O-N 3.48Å; V539-T541 VanDerWaalsContact C-N 3.29Å; V539-T541 PolarHBondContact O-N 3.35Å; V539-W542 PolarHBondContact O-N 3.16Å; V539-I543 HydrophobicContact CG1-CD1 3.75Å; V539-I543 HydrophobicContact CG1-CG1 4.2Å; V539-I543 WeakPolarHBondContact O-CG1 3.4Å; V539-I543 PolarHBondContact O-N 3.14Å
540	R	91.3	Very high	91.2	Very high	54 Å²	54	47.4 Å²	47.4	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-40.1	178.9	76.4	-168.5	-170.6	173.3	7.2	112.3	L520 F521 L536 T538 L544 C632	L520-R540 HydrophobicContact CB-CB 3.76Å; L520-R540 HydrophobicContact CD1-CB 4.42Å; F521-R540 HydrophobicContact CD1-CG 4.43Å; F521-R540 HydrophobicContact CE1-CG 3.99Å; F521-R540 HydrophobicContact CZ-CB 4.42Å; F521-R540 HydrophobicContact CZ-CG 4.17Å; L536-R540 WeakPolarHBondContact O-CB 3.37Å; L536-R540 VanDerWaalsContact O-CG 3.29Å; L536-R540 WeakPolarHBondContact O-CG 3.36Å; L536-R540 PolarHBondContact O-N 2.95Å; T538-R540 PolarHBondContact O-N 2.67Å; R540-L544 PolarHBondContact O-N 3.19Å; R540-C632 PolarHBondContact NH2-SG 3.46Å
541	T	90.1	Very high	91.7	Very high	25 Å²	25	44.5 Å²	44.5	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-44.8	-179.2	-54.3	0	0	0	0	110.8	C537 T538 V539 I545 W599	C537-T541 PolarHBondContact O-OG1 2.97Å; T538-T541 WeakPolarHBondContact O-CB 3.33Å; T538-T541 PolarHBondContact O-N 2.98Å; V539-T541 VanDerWaalsContact C-N 3.29Å; V539-T541 PolarHBondContact O-N 3.35Å; T541-I545 HydrophobicContact CG2-CD1 4.02Å; T541-I545 PolarHBondContact O-N 3.15Å; T541-W599 HydrophobicContact CG2-CH2 4.42Å; T541-W599 HydrophobicContact CG2-CZ3 4.11Å
542	W	94.1	Very high	92.2	Very high	73 Å²	73	36.3 Å²	36.3	28%	0.277	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-48.7	177.6	-80.9	59.6	0	0	0	112.7	T538 V539 L544 I545 V546 L593 L596 I597 Q600	T538-W542 PolarHBondContact O-N 3.26Å; V539-W542 PolarHBondContact O-N 3.16Å; W542-L544 PolarHBondContact O-N 3.3Å; W542-I545 PolarHBondContact O-N 3.48Å; W542-V546 WeakPolarHBondContact O-CB 3.18Å; W542-V546 WeakPolarHBondContact O-CG2 3.24Å; W542-V546 PolarHBondContact O-N 3.48Å; W542-L593 HydrophobicContact CZ3-CD2 4.26Å; W542-L596 HydrophobicContact CB-CD1 4.47Å; W542-L596 HydrophobicContact CD2-CB 4.17Å; W542-L596 HydrophobicContact CD2-CD1 4.01Å; W542-L596 HydrophobicContact CE3-CD1 4.26Å; W542-L596 HydrophobicContact CG-CD1 4.09Å; W542-L596 HydrophobicContact CG-CD2 4.5Å; W542-L596 HydrophobicContact CH2-CB 4.27Å; W542-L596 HydrophobicContact CZ2-CB 3.84Å; W542-I597 HydrophobicContact CH2-CG1 3.65Å; W542-I597 HydrophobicContact CZ2-CG1 4.33Å; W542-Q600 HydrophobicContact CZ2-CB 4.42Å
543	I	94.9	Very high	92.4	Very high	45 Å²	45	31.4 Å²	31.4	23%	0.231	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-41.4	-177.5	-70.8	-176.2	0	0	0	111.5	L513 A516 L520 V539 G547	L513-I543 HydrophobicContact CB-CG2 4.42Å; L513-I543 VanDerWaalsContact O-CG2 3.23Å; L513-I543 WeakPolarHBondContact O-CG2 3.23Å; A516-I543 HydrophobicContact CB-CG2 4.4Å; L520-I543 HydrophobicContact CD1-CD1 3.79Å; V539-I543 HydrophobicContact CG1-CD1 3.75Å; V539-I543 HydrophobicContact CG1-CG1 4.2Å; V539-I543 WeakPolarHBondContact O-CG1 3.4Å; V539-I543 PolarHBondContact O-N 3.14Å; I543-G547 PolarHBondContact O-N 3.33Å
544	L	93.7	Very high	92.6	Very high	50 Å²	50	31 Å²	31	26%	0.262	16%	0.161	S	C	.	.	H	α-helix	trans	-62.6	-46.4	177.5	-179.1	63.2	0	0	0	112.1	F521 R540 W542 G547 Y548 I712	F521-L544 HydrophobicContact CE2-CD2 4.01Å; F521-L544 HydrophobicContact CZ-CD2 4.12Å; R540-L544 PolarHBondContact O-N 3.19Å; W542-L544 PolarHBondContact O-N 3.3Å; L544-G547 PolarHBondContact O-N 3.41Å; L544-Y548 WeakPolarHBondContact O-CB 3.45Å; L544-Y548 PolarHBondContact O-N 2.75Å; L544-I712 HydrophobicContact CD1-CD1 3.96Å; L544-I712 HydrophobicContact CD1-CG1 4.47Å
545	I	94.3	Very high	92.8	Very high	22 Å²	22	27.1 Å²	27.1	11%	0.113	14%	0.142	C	C	.	.	H	α-helix	trans	-69.3	-41.2	-177.8	-72.5	166.1	0	0	0	111.6	T541 W542 T549 D592 L596 V644	T541-I545 HydrophobicContact CG2-CD1 4.02Å; T541-I545 PolarHBondContact O-N 3.15Å; W542-I545 PolarHBondContact O-N 3.48Å; I545-T549 WeakPolarHBondContact O-CB 3.47Å; I545-T549 PolarHBondContact O-N 2.93Å; I545-T549 PolarHBondContact O-OG1 3.16Å; I545-D592 HydrophobicContact CG2-CB 4.09Å; I545-L596 HydrophobicContact CB-CD1 4.26Å; I545-L596 HydrophobicContact CD1-CD2 3.89Å; I545-L596 HydrophobicContact CG2-CD1 3.98Å; I545-V644 HydrophobicContact CD1-CG1 4.23Å
546	V	95.5	Very high	92.9	Very high	31 Å²	31	23.4 Å²	23.4	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-66	-42.5	175.5	169.9	0	0	0	0	111.3	L513 W542 T549 T550 L589 L593	L513-V546 HydrophobicContact CD1-CG1 4.11Å; W542-V546 WeakPolarHBondContact O-CB 3.18Å; W542-V546 WeakPolarHBondContact O-CG2 3.24Å; W542-V546 PolarHBondContact O-N 3.48Å; V546-T549 PolarHBondContact O-N 3.37Å; V546-T550 WeakPolarHBondContact O-CB 3.49Å; V546-T550 PolarHBondContact O-N 3.38Å; V546-T550 PolarHBondContact O-OG1 3.49Å; V546-L589 HydrophobicContact CB-CD1 4.45Å; V546-L589 HydrophobicContact CG1-CD1 4.08Å; V546-L589 HydrophobicContact CG2-CD1 4.31Å; V546-L593 HydrophobicContact CG2-CD2 4.18Å
547	G	95.6	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-50.9	175.9	0	0	0	0	0	112.5	G510 I543 L544 T549 T550 A551	G510-G547 WeakPolarHBondContact CA-O 3.47Å; I543-G547 PolarHBondContact O-N 3.33Å; L544-G547 PolarHBondContact O-N 3.41Å; G547-T549 PolarHBondContact O-N 3.27Å; G547-T550 PolarHBondContact O-N 3.11Å; G547-A551 PolarHBondContact O-N 2.81Å
548	Y	94.7	Very high	92.9	Very high	39 Å²	39	22.5 Å²	22.5	15%	0.153	11%	0.114	C	C	.	.	H	α-helix	trans	-55.6	-50.3	175.5	177.8	-86.4	0	0	0	111.9	L544 T550 A551 F552 K648 V683	L544-Y548 WeakPolarHBondContact O-CB 3.45Å; L544-Y548 PolarHBondContact O-N 2.75Å; Y548-T550 PolarHBondContact O-N 3.47Å; Y548-A551 PolarHBondContact O-N 3.04Å; Y548-F552 HydrophobicContact CD1-CB 4.36Å; Y548-F552 HydrophobicContact CE1-CB 3.98Å; Y548-F552 HydrophobicContact CE1-CG 4.24Å; Y548-F552 VanDerWaalsContact O-CB 3.29Å; Y548-F552 WeakPolarHBondContact O-CB 3.2Å; Y548-F552 PolarHBondContact O-N 3.24Å; Y548-K648 HydrophobicContact CD1-CD 3.79Å; Y548-K648 HydrophobicContact CE1-CD 3.6Å; Y548-V683 HydrophobicContact CE2-CG1 4.14Å
549	T	95.3	Very high	92.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-39.1	-174.7	-52.7	0	0	0	0	111.9	I545 V546 G547 G553 M588 L589 D592 K648	I545-T549 WeakPolarHBondContact O-CB 3.47Å; I545-T549 PolarHBondContact O-N 2.93Å; I545-T549 PolarHBondContact O-OG1 3.16Å; V546-T549 PolarHBondContact O-N 3.37Å; G547-T549 PolarHBondContact O-N 3.27Å; T549-G553 WeakPolarHBondContact O-CA 3.49Å; T549-G553 PolarHBondContact O-N 3.16Å; T549-M588 HydrophobicContact CG2-CB 4.22Å; T549-L589 HydrophobicContact CG2-CB 4.4Å; T549-L589 HydrophobicContact CG2-CD1 4.36Å; T549-D592 WeakPolarHBondContact CG2-OD2 3.32Å; T549-D592 PolarHBondContact OG1-OD2 3.04Å; T549-K648 PolarHBondContact OG1-NZ 2.97Å
550	T	94.7	Very high	92.7	Very high	10 Å²	10	22.5 Å²	22.5	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-43.1	177.4	-55.2	0	0	0	0	111.2	L506 V546 G547 Y548 A554	L506-T550 HydrophobicContact CB-CG2 4.21Å; L506-T550 HydrophobicContact CD2-CG2 3.98Å; V546-T550 WeakPolarHBondContact O-CB 3.49Å; V546-T550 PolarHBondContact O-N 3.38Å; V546-T550 PolarHBondContact O-OG1 3.49Å; G547-T550 PolarHBondContact O-N 3.11Å; Y548-T550 PolarHBondContact O-N 3.47Å; T550-A554 VanDerWaalsContact O-CB 3.29Å; T550-A554 WeakPolarHBondContact O-CB 3.37Å; T550-A554 PolarHBondContact O-N 3.45Å
551	A	94.1	Very high	92.4	Very high	14 Å²	14	22.5 Å²	22.5	12%	0.116	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-52.7	178.1	0	0	0	0	0	112.8	G547 Y548 A554 M555	G547-A551 PolarHBondContact O-N 2.81Å; Y548-A551 PolarHBondContact O-N 3.04Å; A551-A554 PolarHBondContact O-N 2.98Å; A551-M555 PolarHBondContact O-N 3.44Å; A551-M555 VanDerWaalsContact O-N 3.15Å
552	F	93.9	Very high	92.1	Very high	2 Å²	2	22 Å²	22	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-43.7	-177.8	-169.9	-89.1	0	0	0	111.8	Y548 A554 M555 F556 L651 M652 V680 V683	Y548-F552 HydrophobicContact CD1-CB 4.36Å; Y548-F552 HydrophobicContact CE1-CB 3.98Å; Y548-F552 HydrophobicContact CE1-CG 4.24Å; Y548-F552 VanDerWaalsContact O-CB 3.29Å; Y548-F552 WeakPolarHBondContact O-CB 3.2Å; Y548-F552 PolarHBondContact O-N 3.24Å; F552-A554 VanDerWaalsContact C-N 3.3Å; F552-A554 PolarHBondContact O-N 2.98Å; F552-M555 HydrophobicContact CD2-CE 4.4Å; F552-M555 PolarHBondContact O-N 2.93Å; F552-M555 VanDerWaalsContact O-N 3.15Å; F552-F556 HydrophobicContact CD1-CB 4.48Å; F552-F556 HydrophobicContact CE1-CB 4.32Å; F552-F556 WeakPolarHBondContact O-CB 3.48Å; F552-F556 PolarHBondContact O-N 3.39Å; F552-L651 HydrophobicContact CD1-CD2 4.14Å; F552-L651 HydrophobicContact CD1-CG 4.11Å; F552-L651 HydrophobicContact CE1-CD2 4.47Å; F552-L651 HydrophobicContact CE1-CG 3.94Å; F552-M652 HydrophobicContact CZ-CB 4.48Å; F552-V680 HydrophobicContact CE2-CG1 4.13Å; F552-V680 HydrophobicContact CZ-CG1 4.33Å; F552-V683 HydrophobicContact CD2-CG1 4.21Å
553	G	93.5	Very high	91.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-39.8	176.7	0	0	0	0	0	112.4	T549 F556 A557 V585	T549-G553 WeakPolarHBondContact O-CA 3.49Å; T549-G553 PolarHBondContact O-N 3.16Å; G553-F556 PolarHBondContact O-N 2.96Å; G553-A557 WeakPolarHBondContact O-CB 3.45Å; G553-A557 PolarHBondContact O-N 3.49Å; G553-V585 WeakPolarHBondContact O-CG2 3.39Å
554	A	92.9	Very high	90.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.7	-36.2	175.7	0	0	0	0	0	113.2	M503 L506 I507 T550 A551 F552 K558	M503-A554 HydrophobicContact SD-CB 4.37Å; L506-A554 HydrophobicContact CB-CB 3.82Å; I507-A554 HydrophobicContact CD1-CB 4.47Å; I507-A554 HydrophobicContact CG1-CB 3.69Å; T550-A554 VanDerWaalsContact O-CB 3.29Å; T550-A554 WeakPolarHBondContact O-CB 3.37Å; T550-A554 PolarHBondContact O-N 3.45Å; A551-A554 PolarHBondContact O-N 2.98Å; F552-A554 VanDerWaalsContact C-N 3.3Å; F552-A554 PolarHBondContact O-N 2.98Å; A554-K558 WeakPolarHBondContact O-CG 3.44Å; A554-K558 PolarHBondContact O-N 2.96Å
555	M	91.1	Very high	90.2	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-44.5	170.6	-71.7	-172.9	-74.2	0	0	111.7	I507 A551 F552 K558 T559 I676 V680 V683 T719	I507-M555 HydrophobicContact CD1-CG 3.63Å; I507-M555 HydrophobicContact CG1-CG 3.97Å; A551-M555 PolarHBondContact O-N 3.44Å; A551-M555 VanDerWaalsContact O-N 3.15Å; F552-M555 HydrophobicContact CD2-CE 4.4Å; F552-M555 PolarHBondContact O-N 2.93Å; F552-M555 VanDerWaalsContact O-N 3.15Å; M555-K558 WeakPolarHBondContact O-CB 3.36Å; M555-K558 PolarHBondContact O-N 3.12Å; M555-T559 PolarHBondContact O-N 3.38Å; M555-T559 PolarHBondContact O-OG1 3.45Å; M555-I676 HydrophobicContact CB-CG2 4.07Å; M555-I676 HydrophobicContact CG-CG2 4.28Å; M555-V680 HydrophobicContact CB-CG2 4.17Å; M555-V680 HydrophobicContact SD-CG2 4.48Å; M555-V683 HydrophobicContact CE-CG2 4.19Å; M555-T719 HydrophobicContact CE-CG2 4.03Å; M555-T719 HydrophobicContact SD-CG2 3.69Å
556	F	91.7	Very high	89.3	Confident	7 Å²	7	23.3 Å²	23.3	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-46.6	177	177	-83	0	0	0	112.4	F552 G553 K558 T559 W560 M588 F654 L658	F552-F556 HydrophobicContact CD1-CB 4.48Å; F552-F556 HydrophobicContact CE1-CB 4.32Å; F552-F556 WeakPolarHBondContact O-CB 3.48Å; F552-F556 PolarHBondContact O-N 3.39Å; G553-F556 PolarHBondContact O-N 2.96Å; F556-K558 PolarHBondContact O-N 3.28Å; F556-T559 PolarHBondContact O-N 2.86Å; F556-T559 PolarHBondContact O-OG1 3.41Å; F556-W560 HydrophobicContact CE1-CB 4.25Å; F556-W560 VanDerWaalsContact O-CB 3.28Å; F556-W560 WeakPolarHBondContact O-CB 3.47Å; F556-W560 PolarHBondContact O-N 3.07Å; F556-M588 HydrophobicContact CD1-CE 3.47Å; F556-M588 VanDerWaalsContact CD1-CE 3.47Å; F556-M588 HydrophobicContact CD1-SD 4.21Å; F556-M588 HydrophobicContact CE1-CE 3.47Å; F556-M588 VanDerWaalsContact CE1-CE 3.47Å; F556-M588 HydrophobicContact CG-CE 4.17Å; F556-M588 HydrophobicContact CZ-CE 4.13Å; F556-F654 AromaticContact CE2-CD1 3.47Å; F556-F654 HydrophobicContact CE2-CD1 3.47Å; F556-F654 VanDerWaalsContact CE2-CD1 3.47Å; F556-F654 AromaticContact CE2-CE1 3.86Å; F556-F654 HydrophobicContact CE2-CE1 3.86Å; F556-F654 HydrophobicContact CE2-CG 4.13Å; F556-F654 AromaticContact CZ-CD1 3.59Å; F556-F654 HydrophobicContact CZ-CD1 3.59Å; F556-F654 AromaticContact CZ-CE1 3.5Å; F556-F654 HydrophobicContact CZ-CE1 3.5Å; F556-F654 VanDerWaalsContact CZ-CE1 3.5Å; F556-F654 HydrophobicContact CZ-CZ 4.44Å; F556-L658 HydrophobicContact CD2-CD1 4.19Å; F556-L658 HydrophobicContact CE1-CD1 4.4Å; F556-L658 HydrophobicContact CE2-CD1 3.45Å; F556-L658 VanDerWaalsContact CE2-CD1 3.45Å; F556-L658 HydrophobicContact CE2-CG 4.46Å; F556-L658 HydrophobicContact CZ-CD1 3.56Å
557	A	90.8	Very high	88.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-30.8	178.8	0	0	0	0	0	112.1	M503 G553 R561 L581 V585	M503-A557 HydrophobicContact SD-CB 4.1Å; G553-A557 WeakPolarHBondContact O-CB 3.45Å; G553-A557 PolarHBondContact O-N 3.49Å; A557-R561 WeakPolarHBondContact O-CB 3.49Å; A557-R561 PolarHBondContact O-N 2.91Å; A557-L581 HydrophobicContact CB-CB 4.16Å; A557-L581 HydrophobicContact CB-CD2 4.38Å; A557-L581 HydrophobicContact CB-CG 4.22Å; A557-L581 WeakPolarHBondContact O-CD2 3.27Å; A557-V585 HydrophobicContact CB-CG2 3.79Å
558	K	87.6	Confident	86.6	Confident	9 Å²	9	32.2 Å²	32.2	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-70.1	-48.5	172.9	-76.1	177.3	133	-139.2	0	112.6	S499 M503 N504 I507 A554 M555 F556 R561 V562 D672 I676	S499-K558 WeakPolarHBondContact O-CE 3.2Å; S499-K558 PolarHBondContact O-NZ 2.87Å; S499-K558 PolarHBondContact OG-NZ 3.23Å; M503-K558 HydrophobicContact CB-CD 3.78Å; M503-K558 HydrophobicContact CB-CG 3.83Å; M503-K558 HydrophobicContact CG-CG 4.06Å; N504-K558 WeakPolarHBondContact OD1-CE 3.38Å; N504-K558 PolarHBondContact OD1-NZ 2.94Å; I507-K558 HydrophobicContact CD1-CD 4.22Å; A554-K558 WeakPolarHBondContact O-CG 3.44Å; A554-K558 PolarHBondContact O-N 2.96Å; M555-K558 WeakPolarHBondContact O-CB 3.36Å; M555-K558 PolarHBondContact O-N 3.12Å; F556-K558 PolarHBondContact O-N 3.28Å; K558-R561 PolarHBondContact O-N 2.89Å; K558-V562 PolarHBondContact O-N 3.37Å; K558-D672 IonicContact NZ-OD2 3.09Å; K558-D672 PolarHBondContact NZ-OD2 2.71Å; K558-D672 VanDerWaalsContact NZ-OD2 3.09Å; K558-I676 HydrophobicContact CB-CD1 4.23Å; K558-I676 HydrophobicContact CD-CD1 3.92Å
559	T	88.2	Confident	84.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-40.7	177.6	53.8	0	0	0	0	111.2	M555 F556 R561 V562 H563 I676	M555-T559 PolarHBondContact O-N 3.38Å; M555-T559 PolarHBondContact O-OG1 3.45Å; F556-T559 PolarHBondContact O-N 2.86Å; F556-T559 PolarHBondContact O-OG1 3.41Å; T559-R561 PolarHBondContact O-N 3.43Å; T559-V562 WeakPolarHBondContact O-CB 3.23Å; T559-V562 PolarHBondContact O-N 2.97Å; T559-V562 VanDerWaalsContact O-N 3.15Å; T559-H563 PolarHBondContact O-N 3.35Å; T559-I676 HydrophobicContact CG2-CG2 3.79Å
560	W	88	Confident	82.8	Confident	86 Å²	86	45.4 Å²	45.4	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-58.8	-43.9	173.3	-179.2	87.3	0	0	0	112.7	F556 V562 H563 A564 I584 L658	F556-W560 HydrophobicContact CE1-CB 4.25Å; F556-W560 VanDerWaalsContact O-CB 3.28Å; F556-W560 WeakPolarHBondContact O-CB 3.47Å; F556-W560 PolarHBondContact O-N 3.07Å; W560-V562 VanDerWaalsContact C-N 3.28Å; W560-V562 PolarHBondContact O-N 3.43Å; W560-H563 PolarHBondContact O-N 2.92Å; W560-A564 HydrophobicContact CZ2-CB 4.43Å; W560-A564 VanDerWaalsContact O-CB 3.26Å; W560-A564 WeakPolarHBondContact O-CB 3.21Å; W560-A564 PolarHBondContact O-N 3.02Å; W560-I584 HydrophobicContact CD2-CD1 4.23Å; W560-I584 HydrophobicContact CE3-CD1 3.72Å; W560-I584 HydrophobicContact CH2-CD1 4.02Å; W560-I584 HydrophobicContact CZ2-CD1 4.49Å; W560-I584 HydrophobicContact CZ3-CD1 3.61Å; W560-L658 HydrophobicContact CB-CD1 4.03Å
561	R	86.5	Confident	80.8	Confident	53 Å²	53	52.8 Å²	52.8	20%	0.2	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-41	175	173	-175.9	179.2	154.3	11.4	111.7	S500 A557 K558 T559 I565 I576 D578 L581	S500-R561 PolarHBondContact OG-NH1 3.49Å; A557-R561 WeakPolarHBondContact O-CB 3.49Å; A557-R561 PolarHBondContact O-N 2.91Å; K558-R561 PolarHBondContact O-N 2.89Å; T559-R561 PolarHBondContact O-N 3.43Å; R561-I565 HydrophobicContact CG-CD1 4.02Å; R561-I565 WeakPolarHBondContact O-CD1 3.5Å; R561-I565 VanDerWaalsContact O-CG1 3.24Å; R561-I565 WeakPolarHBondContact O-CG1 3.14Å; R561-I565 PolarHBondContact O-N 3.38Å; R561-I576 PolarHBondContact NH2-O 2.74Å; R561-D578 IonicContact CZ-OD1 3.75Å; R561-D578 IonicContact NH1-OD1 2.74Å; R561-D578 PolarHBondContact NH1-OD1 3Å; R561-D578 IonicContact NH2-OD1 3.91Å; R561-L581 HydrophobicContact CB-CD1 4.33Å; R561-L581 HydrophobicContact CB-CD2 4Å; R561-L581 HydrophobicContact CB-CG 4.44Å; R561-L581 HydrophobicContact CG-CD1 4.46Å; R561-L581 HydrophobicContact CG-CD2 4.44Å
562	V	83.2	Confident	78.8	Confident	16 Å²	16	60.8 Å²	60.8	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-57.4	176.5	176.9	0	0	0	0	109.5	K558 T559 W560 A564 I565 F566 T662 L670	K558-V562 PolarHBondContact O-N 3.37Å; T559-V562 WeakPolarHBondContact O-CB 3.23Å; T559-V562 PolarHBondContact O-N 2.97Å; T559-V562 VanDerWaalsContact O-N 3.15Å; W560-V562 VanDerWaalsContact C-N 3.28Å; W560-V562 PolarHBondContact O-N 3.43Å; V562-A564 VanDerWaalsContact C-N 3.29Å; V562-A564 PolarHBondContact O-N 2.97Å; V562-I565 WeakPolarHBondContact O-CB 3.48Å; V562-I565 PolarHBondContact O-N 3.42Å; V562-F566 HydrophobicContact CG1-CD2 3.94Å; V562-F566 HydrophobicContact CG1-CE2 4.02Å; V562-F566 VanDerWaalsContact O-CD2 3.3Å; V562-F566 WeakPolarHBondContact O-CD2 3.45Å; V562-F566 PolarHBondContact O-N 3.25Å; V562-T662 HydrophobicContact CB-CG2 4.08Å; V562-T662 HydrophobicContact CG1-CG2 3.8Å; V562-L670 HydrophobicContact CG1-CD2 4.06Å; V562-L670 HydrophobicContact CG2-CD2 4.02Å
563	H	83.3	Confident	76.9	Confident	35 Å²	35	69.2 Å²	69.2	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-52	-44.2	178.6	169.7	-106.5	0	0	0	112.9	T559 W560 I565 F566 K567 L658 T662	T559-H563 PolarHBondContact O-N 3.35Å; W560-H563 PolarHBondContact O-N 2.92Å; H563-I565 VanDerWaalsContact C-N 3.26Å; H563-I565 PolarHBondContact O-N 2.72Å; H563-F566 PolarHBondContact O-N 2.69Å; H563-K567 VanDerWaalsContact NE2-CD 3.32Å; H563-K567 WeakPolarHBondContact NE2-CD 3.4Å; H563-K567 WeakPolarHBondContact O-CB 3.17Å; H563-K567 PolarHBondContact O-N 2.79Å; H563-L658 HydrophobicContact CB-CD2 4.45Å; H563-T662 HydrophobicContact CB-CG2 3.76Å
564	A	81.4	Confident	75.3	Confident	26 Å²	26	76 Å²	76	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-19.6	179	0	0	0	0	0	114.8	W560 V562 I576	W560-A564 HydrophobicContact CZ2-CB 4.43Å; W560-A564 VanDerWaalsContact O-CB 3.26Å; W560-A564 WeakPolarHBondContact O-CB 3.21Å; W560-A564 PolarHBondContact O-N 3.02Å; V562-A564 VanDerWaalsContact C-N 3.29Å; V562-A564 PolarHBondContact O-N 2.97Å; A564-I576 HydrophobicContact CB-CD1 4.3Å
565	I	79.1	Confident	73.9	Confident	67 Å²	67	83 Å²	83	34%	0.344	39%	0.392	S	S	.	.	H	α-helix	trans	-81.4	-42.4	173	-72	165.2	0	0	0	110.5	R561 V562 H563 I576	R561-I565 HydrophobicContact CG-CD1 4.02Å; R561-I565 WeakPolarHBondContact O-CD1 3.5Å; R561-I565 VanDerWaalsContact O-CG1 3.24Å; R561-I565 WeakPolarHBondContact O-CG1 3.14Å; R561-I565 PolarHBondContact O-N 3.38Å; V562-I565 WeakPolarHBondContact O-CB 3.48Å; V562-I565 PolarHBondContact O-N 3.42Å; H563-I565 VanDerWaalsContact C-N 3.26Å; H563-I565 PolarHBondContact O-N 2.72Å; I565-I576 HydrophobicContact CG1-CD1 4.44Å
566	F	73.7	Confident	73	Confident	88 Å²	88	83.7 Å²	83.7	39%	0.386	40%	0.395	S	S	.	.	H	α-helix	trans	-82	-31.3	-174	-73.9	-83.8	0	0	0	114.6	V562 H563 N568 V665 I667 L670	V562-F566 HydrophobicContact CG1-CD2 3.94Å; V562-F566 HydrophobicContact CG1-CE2 4.02Å; V562-F566 VanDerWaalsContact O-CD2 3.3Å; V562-F566 WeakPolarHBondContact O-CD2 3.45Å; V562-F566 PolarHBondContact O-N 3.25Å; H563-F566 PolarHBondContact O-N 2.69Å; F566-N568 PolarHBondContact O-N 3.44Å; F566-N568 VanDerWaalsContact O-N 3.12Å; F566-V665 HydrophobicContact CD1-CG1 3.78Å; F566-V665 HydrophobicContact CD2-CG1 3.67Å; F566-V665 HydrophobicContact CE1-CG1 3.43Å; F566-V665 VanDerWaalsContact CE1-CG1 3.43Å; F566-V665 HydrophobicContact CE2-CG1 3.36Å; F566-V665 HydrophobicContact CG-CG1 3.9Å; F566-V665 HydrophobicContact CG-CG2 4.36Å; F566-V665 HydrophobicContact CZ-CG1 3.22Å; F566-I667 HydrophobicContact CE1-CD1 3.86Å; F566-I667 HydrophobicContact CE1-CG1 4.47Å; F566-I667 HydrophobicContact CZ-CD1 3.69Å; F566-I667 HydrophobicContact CZ-CG1 4.27Å; F566-L670 HydrophobicContact CE2-CD2 3.76Å; F566-L670 HydrophobicContact CZ-CD2 4.26Å
567	K	70.9	Confident	72.4	Confident	146 Å²	146	89.8 Å²	89.8	64%	0.635	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.3	179.4	-165.3	157.1	-176.7	162.7	0	114.4	H563 V569	H563-K567 VanDerWaalsContact NE2-CD 3.32Å; H563-K567 WeakPolarHBondContact NE2-CD 3.4Å; H563-K567 WeakPolarHBondContact O-CB 3.17Å; H563-K567 PolarHBondContact O-N 2.79Å; K567-V569 PolarHBondContact O-N 2.86Å
568	N	63.8	Low	71.8	Confident	72 Å²	72	91.4 Å²	91.4	39%	0.385	43%	0.431	S	S	.	.			trans	-98.3	85.5	-170.2	-154.8	-23.9	0	0	0	112.5	F566 K570 M571	F566-N568 PolarHBondContact O-N 3.44Å; F566-N568 VanDerWaalsContact O-N 3.12Å; N568-K570 PolarHBondContact O-N 2.73Å; N568-M571 PolarHBondContact O-N 3.02Å; N568-M571 VanDerWaalsContact O-N 3.09Å
569	V	55	Low	71.7	Confident	143 Å²	143	97.2 Å²	97.2	87%	0.867	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-26.4	-169.1	-176.1	0	0	0	0	115.4	K567	K567-V569 PolarHBondContact O-N 2.86Å
570	K	56.3	Low	71.6	Confident	173 Å²	173	103.9 Å²	103.9	75%	0.752	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-1.1	-177.5	-70.1	-171.7	177.2	179.9	0	115.6	N568 K572	N568-K570 PolarHBondContact O-N 2.73Å; K570-K572 PolarHBondContact O-N 3.44Å
571	M	52.9	Low	71.5	Confident	165 Å²	165	99.8 Å²	99.8	81%	0.813	47%	0.471	S	S	*	.			trans	47.8	16.9	173.4	-78.9	-74.5	-89.7	0	0	117.2	N568 K573	N568-M571 PolarHBondContact O-N 3.02Å; N568-M571 VanDerWaalsContact O-N 3.09Å; M571-K573 PolarHBondContact O-N 3.46Å
572	K	50.2	Low	71.7	Confident	182 Å²	182	100.5 Å²	100.5	79%	0.791	48%	0.479	S	S	*	.			trans	-65.6	121.6	168.3	-67.9	-171.7	177	-172.9	0	107.5	K570 K574	K570-K572 PolarHBondContact O-N 3.44Å; K572-K574 PolarHBondContact O-N 2.73Å
573	K	54.6	Low	72.1	Confident	180 Å²	180	105.8 Å²	105.8	78%	0.783	51%	0.505	S	S	*	.			trans	-53.6	88.8	-177.7	-80.7	175.3	176.7	157.2	0	112.6	M571 I575	M571-K573 PolarHBondContact O-N 3.46Å; K573-I575 PolarHBondContact O-N 3.22Å
574	K	59.3	Low	72.4	Confident	143 Å²	143	106.4 Å²	106.4	62%	0.622	51%	0.509	S	S	*	.			trans	-84	92.4	176	-169.4	175.9	-177.5	179.8	0	109	K572 I576	K572-K574 PolarHBondContact O-N 2.73Å; K574-I576 HydrophobicContact CG-CG1 4.45Å; K574-I576 PolarHBondContact O-N 3.43Å
575	I	64.8	Low	73	Confident	148 Å²	148	105.5 Å²	105.5	76%	0.759	50%	0.501	S	S	*	.			trans	-73.4	97.9	176.5	-56.7	176.7	0	0	0	108.8	K573 K577	K573-I575 PolarHBondContact O-N 3.22Å; I575-K577 PolarHBondContact O-N 3.45Å
576	I	71.8	Confident	73.7	Confident	17 Å²	17	104 Å²	104	9%	0.087	50%	0.502	C	S	.	.			trans	-77.2	117.2	170.5	-54	177.2	0	0	0	107.8	R561 A564 I565 K574 K580 L581	R561-I576 PolarHBondContact NH2-O 2.74Å; A564-I576 HydrophobicContact CB-CD1 4.3Å; I565-I576 HydrophobicContact CG1-CD1 4.44Å; K574-I576 HydrophobicContact CG-CG1 4.45Å; K574-I576 PolarHBondContact O-N 3.43Å; I576-K580 HydrophobicContact CG2-CB 4.34Å; I576-L581 HydrophobicContact CG2-CD1 3.57Å
577	K	78.3	Confident	74.7	Confident	135 Å²	135	101.5 Å²	101.5	59%	0.587	50%	0.501	S	S	*	.			trans	-76.5	143.4	175	-66.1	-175.9	178.2	-177.9	0	110.6	I575 Q579 K580	I575-K577 PolarHBondContact O-N 3.45Å; K577-Q579 PolarHBondContact O-N 3.42Å; K577-Q579 VanDerWaalsContact O-N 3.09Å; K577-K580 PolarHBondContact O-N 3.48Å
578	D	79.4	Confident	75.8	Confident	34 Å²	34	95.7 Å²	95.7	18%	0.182	48%	0.476	C	S	.	.	H	α-helix	trans	-55.9	-28.1	178.8	-65.8	17.6	0	0	0	113.1	R561 K580 L581 L582	R561-D578 IonicContact CZ-OD1 3.75Å; R561-D578 IonicContact NH1-OD1 2.74Å; R561-D578 PolarHBondContact NH1-OD1 3Å; R561-D578 IonicContact NH2-OD1 3.91Å; D578-K580 PolarHBondContact O-N 3.12Å; D578-L581 WeakPolarHBondContact O-CB 3.5Å; D578-L581 PolarHBondContact O-N 3.46Å; D578-L582 PolarHBondContact O-N 3Å
579	Q	84.9	Confident	77.2	Confident	131 Å²	131	94.3 Å²	94.3	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-52.8	-38.3	170.9	-70.5	172.7	-45.4	0	0	113.2	K577 L582 I583	K577-Q579 PolarHBondContact O-N 3.42Å; K577-Q579 VanDerWaalsContact O-N 3.09Å; Q579-L582 PolarHBondContact O-N 2.94Å; Q579-I583 WeakPolarHBondContact O-CG1 3.39Å; Q579-I583 PolarHBondContact O-N 3.06Å
580	K	85.9	Confident	79.2	Confident	142 Å²	142	92.6 Å²	92.6	62%	0.617	45%	0.454	S	S	*	.	H	α-helix	trans	-73	-29.1	178.3	-66.2	-164.1	174.1	-164.4	0	112.5	I576 K577 D578 I584	I576-K580 HydrophobicContact CG2-CB 4.34Å; K577-K580 PolarHBondContact O-N 3.48Å; D578-K580 PolarHBondContact O-N 3.12Å; K580-I584 WeakPolarHBondContact O-CG1 3.48Å; K580-I584 PolarHBondContact O-N 3.48Å
581	L	87.2	Confident	81.1	Confident	0 Å²	0	88.2 Å²	88.2	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-72.4	-40.4	173.1	-81	68.1	0	0	0	110.4	M503 A557 R561 I576 D578 I583 I584 V585	M503-L581 HydrophobicContact CE-CB 3.56Å; M503-L581 HydrophobicContact CG-CD2 4.08Å; M503-L581 HydrophobicContact SD-CB 3.95Å; M503-L581 HydrophobicContact SD-CD2 4.19Å; A557-L581 HydrophobicContact CB-CB 4.16Å; A557-L581 HydrophobicContact CB-CD2 4.38Å; A557-L581 HydrophobicContact CB-CG 4.22Å; A557-L581 WeakPolarHBondContact O-CD2 3.27Å; R561-L581 HydrophobicContact CB-CD1 4.33Å; R561-L581 HydrophobicContact CB-CD2 4Å; R561-L581 HydrophobicContact CB-CG 4.44Å; R561-L581 HydrophobicContact CG-CD1 4.46Å; R561-L581 HydrophobicContact CG-CD2 4.44Å; I576-L581 HydrophobicContact CG2-CD1 3.57Å; D578-L581 WeakPolarHBondContact O-CB 3.5Å; D578-L581 PolarHBondContact O-N 3.46Å; L581-I583 VanDerWaalsContact C-N 3.28Å; L581-I583 PolarHBondContact O-N 3.4Å; L581-I584 WeakPolarHBondContact O-CB 3.38Å; L581-I584 PolarHBondContact O-N 3.02Å; L581-I584 VanDerWaalsContact O-N 3.08Å; L581-V585 PolarHBondContact O-N 3.1Å; L581-V585 VanDerWaalsContact O-N 3.11Å
582	L	88.8	Confident	83.1	Confident	68 Å²	68	80.5 Å²	80.5	36%	0.356	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-38	176	-72.5	170.1	0	0	0	112.2	M503 L506 D578 Q579 I584 V585 G586	M503-L582 HydrophobicContact CE-CB 4.3Å; M503-L582 HydrophobicContact CE-CD2 3.44Å; M503-L582 VanDerWaalsContact CE-CD2 3.44Å; M503-L582 HydrophobicContact CE-CG 3.58Å; L506-L582 HydrophobicContact CD1-CD2 3.53Å; D578-L582 PolarHBondContact O-N 3Å; Q579-L582 PolarHBondContact O-N 2.94Å; L582-I584 VanDerWaalsContact C-N 3.34Å; L582-I584 PolarHBondContact O-N 3.33Å; L582-V585 PolarHBondContact O-N 3.47Å; L582-G586 PolarHBondContact O-N 2.89Å
583	I	91.8	Very high	85.2	Confident	127 Å²	127	74.4 Å²	74.4	65%	0.651	38%	0.376	S	S	*	.	H	α-helix	trans	-63	-38.5	174.5	-67.5	164.9	0	0	0	111.6	Q579 L581 G587	Q579-I583 WeakPolarHBondContact O-CG1 3.39Å; Q579-I583 PolarHBondContact O-N 3.06Å; L581-I583 VanDerWaalsContact C-N 3.28Å; L581-I583 PolarHBondContact O-N 3.4Å; I583-G587 PolarHBondContact O-N 3.47Å
584	I	90.5	Very high	87.1	Confident	47 Å²	47	69 Å²	69	24%	0.241	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-46.8	176.9	-64.4	167.2	0	0	0	110.6	W560 K580 L581 L582 G587 M588	W560-I584 HydrophobicContact CD2-CD1 4.23Å; W560-I584 HydrophobicContact CE3-CD1 3.72Å; W560-I584 HydrophobicContact CH2-CD1 4.02Å; W560-I584 HydrophobicContact CZ2-CD1 4.49Å; W560-I584 HydrophobicContact CZ3-CD1 3.61Å; K580-I584 WeakPolarHBondContact O-CG1 3.48Å; K580-I584 PolarHBondContact O-N 3.48Å; L581-I584 WeakPolarHBondContact O-CB 3.38Å; L581-I584 PolarHBondContact O-N 3.02Å; L581-I584 VanDerWaalsContact O-N 3.08Å; L582-I584 VanDerWaalsContact C-N 3.34Å; L582-I584 PolarHBondContact O-N 3.33Å; I584-G587 PolarHBondContact O-N 3.39Å; I584-M588 HydrophobicContact CG2-CE 4.15Å; I584-M588 WeakPolarHBondContact O-CG 3.22Å; I584-M588 PolarHBondContact O-N 3.33Å; I584-M588 VanDerWaalsContact O-N 3.12Å
585	V	94.1	Very high	88.8	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-42.7	178.1	-174.2	0	0	0	0	111.2	M503 L506 G553 A557 L581 L582 G587 M588 L589	M503-V585 HydrophobicContact CE-CG2 4.43Å; M503-V585 HydrophobicContact SD-CG2 4.24Å; L506-V585 HydrophobicContact CD1-CG1 4.37Å; G553-V585 WeakPolarHBondContact O-CG2 3.39Å; A557-V585 HydrophobicContact CB-CG2 3.79Å; L581-V585 PolarHBondContact O-N 3.1Å; L581-V585 VanDerWaalsContact O-N 3.11Å; L582-V585 PolarHBondContact O-N 3.47Å; V585-G587 VanDerWaalsContact C-N 3.33Å; V585-G587 PolarHBondContact O-N 2.92Å; V585-M588 PolarHBondContact O-N 2.95Å; V585-L589 WeakPolarHBondContact O-CB 3.34Å; V585-L589 PolarHBondContact O-N 2.99Å
586	G	93.2	Very high	90.2	Very high	37 Å²	37	56.8 Å²	56.8	38%	0.381	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-37.7	176.3	0	0	0	0	0	113.1	L582 L589 L590	L582-G586 PolarHBondContact O-N 2.89Å; G586-L589 PolarHBondContact O-N 3.03Å; G586-L590 WeakPolarHBondContact O-CB 3.33Å; G586-L590 PolarHBondContact O-N 3.27Å
587	G	94.4	Very high	91.3	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	32%	0.318	S	S	.	.	H	α-helix	trans	-64.8	-41.9	173.7	0	0	0	0	0	113.1	I583 I584 V585 L590 I591	I583-G587 PolarHBondContact O-N 3.47Å; I584-G587 PolarHBondContact O-N 3.39Å; V585-G587 VanDerWaalsContact C-N 3.33Å; V585-G587 PolarHBondContact O-N 2.92Å; G587-L590 PolarHBondContact O-N 2.89Å; G587-I591 WeakPolarHBondContact O-CG1 3.45Å; G587-I591 PolarHBondContact O-N 3.16Å
588	M	93.7	Very high	92	Very high	25 Å²	25	56.5 Å²	56.5	12%	0.123	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-43.6	174.3	-69.1	176.7	170.8	0	0	111.9	T549 F556 I584 V585 I591 D592 Y647 L651	T549-M588 HydrophobicContact CG2-CB 4.22Å; F556-M588 HydrophobicContact CD1-CE 3.47Å; F556-M588 VanDerWaalsContact CD1-CE 3.47Å; F556-M588 HydrophobicContact CD1-SD 4.21Å; F556-M588 HydrophobicContact CE1-CE 3.47Å; F556-M588 VanDerWaalsContact CE1-CE 3.47Å; F556-M588 HydrophobicContact CG-CE 4.17Å; F556-M588 HydrophobicContact CZ-CE 4.13Å; I584-M588 HydrophobicContact CG2-CE 4.15Å; I584-M588 WeakPolarHBondContact O-CG 3.22Å; I584-M588 PolarHBondContact O-N 3.33Å; I584-M588 VanDerWaalsContact O-N 3.12Å; V585-M588 PolarHBondContact O-N 2.95Å; M588-I591 PolarHBondContact O-N 2.96Å; M588-D592 PolarHBondContact O-N 2.75Å; M588-Y647 PolarHBondContact O-OH 3.34Å; M588-L651 HydrophobicContact CE-CD1 3.63Å; M588-L651 HydrophobicContact SD-CD1 4.01Å
589	L	95	Very high	92.7	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-38.1	176.9	-175.8	66.1	0	0	0	112.4	V546 T549 V585 G586 I591 D592 L593	V546-L589 HydrophobicContact CB-CD1 4.45Å; V546-L589 HydrophobicContact CG1-CD1 4.08Å; V546-L589 HydrophobicContact CG2-CD1 4.31Å; T549-L589 HydrophobicContact CG2-CB 4.4Å; T549-L589 HydrophobicContact CG2-CD1 4.36Å; V585-L589 WeakPolarHBondContact O-CB 3.34Å; V585-L589 PolarHBondContact O-N 2.99Å; G586-L589 PolarHBondContact O-N 3.03Å; L589-I591 VanDerWaalsContact C-N 3.33Å; L589-I591 PolarHBondContact O-N 3.05Å; L589-D592 PolarHBondContact O-N 3.49Å; L589-L593 HydrophobicContact CG-CD1 4.21Å; L589-L593 HydrophobicContact CG-CG 4.49Å; L589-L593 WeakPolarHBondContact O-CG 3.48Å; L589-L593 PolarHBondContact O-N 3.47Å
590	L	95.7	Very high	93	Very high	106 Å²	106	52.3 Å²	52.3	56%	0.555	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-40.1	177	-177.9	63.5	0	0	0	111.8	G586 G587 D592 L593 C594	G586-L590 WeakPolarHBondContact O-CB 3.33Å; G586-L590 PolarHBondContact O-N 3.27Å; G587-L590 PolarHBondContact O-N 2.89Å; L590-D592 VanDerWaalsContact C-N 3.35Å; L590-D592 PolarHBondContact O-N 2.95Å; L590-L593 PolarHBondContact O-N 3.29Å; L590-C594 PolarHBondContact O-N 2.88Å; L590-C594 PolarHBondContact O-SG 3.41Å
591	I	95.6	Very high	93.4	Very high	82 Å²	82	51.9 Å²	51.9	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-46	175.8	-66.8	164.9	0	0	0	110.5	G587 M588 L589 C594 I595 Y647	G587-I591 WeakPolarHBondContact O-CG1 3.45Å; G587-I591 PolarHBondContact O-N 3.16Å; M588-I591 PolarHBondContact O-N 2.96Å; L589-I591 VanDerWaalsContact C-N 3.33Å; L589-I591 PolarHBondContact O-N 3.05Å; I591-C594 PolarHBondContact O-N 3.45Å; I591-I595 HydrophobicContact CG2-CD1 3.96Å; I591-I595 WeakPolarHBondContact O-CG1 3.31Å; I591-I595 PolarHBondContact O-N 3.21Å; I591-Y647 HydrophobicContact CG2-CE1 4.06Å; I591-Y647 HydrophobicContact CG2-CE2 4.07Å
592	D	95.1	Very high	93.7	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.011	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-40.9	177.5	-76.8	-68.1	0	0	0	113.3	I545 T549 M588 L589 L590 C594 I595 L596 Y647 K648	I545-D592 HydrophobicContact CG2-CB 4.09Å; T549-D592 WeakPolarHBondContact CG2-OD2 3.32Å; T549-D592 PolarHBondContact OG1-OD2 3.04Å; M588-D592 PolarHBondContact O-N 2.75Å; L589-D592 PolarHBondContact O-N 3.49Å; L590-D592 VanDerWaalsContact C-N 3.35Å; L590-D592 PolarHBondContact O-N 2.95Å; D592-C594 VanDerWaalsContact C-N 3.33Å; D592-C594 PolarHBondContact O-N 3.45Å; D592-I595 PolarHBondContact O-N 2.92Å; D592-L596 WeakPolarHBondContact O-CB 3.17Å; D592-L596 WeakPolarHBondContact O-CG 3.26Å; D592-L596 PolarHBondContact O-N 3.28Å; D592-Y647 WeakPolarHBondContact OD1-CE1 3.17Å; D592-Y647 WeakPolarHBondContact OD2-CE1 3.37Å; D592-K648 WeakPolarHBondContact OD1-CE 3.49Å; D592-K648 IonicContact OD1-NZ 2.72Å; D592-K648 PolarHBondContact OD1-NZ 3.5Å; D592-K648 IonicContact OD2-NZ 3.58Å; D592-K648 PolarHBondContact OD2-NZ 2.99Å
593	L	94.8	Very high	93.8	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-41.3	175	-69.7	172.3	0	0	0	111.2	W542 V546 L589 L590 L596 I597	W542-L593 HydrophobicContact CZ3-CD2 4.26Å; V546-L593 HydrophobicContact CG2-CD2 4.18Å; L589-L593 HydrophobicContact CG-CD1 4.21Å; L589-L593 HydrophobicContact CG-CG 4.49Å; L589-L593 WeakPolarHBondContact O-CG 3.48Å; L589-L593 PolarHBondContact O-N 3.47Å; L590-L593 PolarHBondContact O-N 3.29Å; L593-L596 PolarHBondContact O-N 2.95Å; L593-I597 WeakPolarHBondContact O-CB 3.4Å; L593-I597 WeakPolarHBondContact O-CD1 3.4Å; L593-I597 WeakPolarHBondContact O-CG1 3.27Å; L593-I597 PolarHBondContact O-N 3.25Å
594	C	95.8	Very high	93.8	Very high	66 Å²	66	50.1 Å²	50.1	45%	0.446	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-44.6	173.7	-70	0	0	0	0	112.1	L590 I591 D592 I597 C598	L590-C594 PolarHBondContact O-N 2.88Å; L590-C594 PolarHBondContact O-SG 3.41Å; I591-C594 PolarHBondContact O-N 3.45Å; D592-C594 VanDerWaalsContact C-N 3.33Å; D592-C594 PolarHBondContact O-N 3.45Å; C594-I597 PolarHBondContact O-N 2.98Å; C594-C598 WeakPolarHBondContact O-CB 3.3Å; C594-C598 PolarHBondContact O-N 3.4Å; C594-C598 PolarHBondContact O-SG 3.04Å
595	I	94.3	Very high	93.8	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.159	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-46.4	177.2	-67.2	165.1	0	0	0	110.7	I591 D592 C598 W599 V644 Y647	I591-I595 HydrophobicContact CG2-CD1 3.96Å; I591-I595 WeakPolarHBondContact O-CG1 3.31Å; I591-I595 PolarHBondContact O-N 3.21Å; D592-I595 PolarHBondContact O-N 2.92Å; I595-C598 PolarHBondContact O-N 3.22Å; I595-W599 WeakPolarHBondContact O-CB 3.48Å; I595-W599 PolarHBondContact O-N 3.34Å; I595-V644 HydrophobicContact CG2-CG2 3.94Å; I595-Y647 HydrophobicContact CD1-CD1 4.21Å
596	L	93.8	Very high	93.6	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-40.1	-179.8	-73.6	173.2	0	0	0	113.3	W542 I545 D592 L593 W599 Q600	W542-L596 HydrophobicContact CB-CD1 4.47Å; W542-L596 HydrophobicContact CD2-CB 4.17Å; W542-L596 HydrophobicContact CD2-CD1 4.01Å; W542-L596 HydrophobicContact CE3-CD1 4.26Å; W542-L596 HydrophobicContact CG-CD1 4.09Å; W542-L596 HydrophobicContact CG-CD2 4.5Å; W542-L596 HydrophobicContact CH2-CB 4.27Å; W542-L596 HydrophobicContact CZ2-CB 3.84Å; I545-L596 HydrophobicContact CB-CD1 4.26Å; I545-L596 HydrophobicContact CD1-CD2 3.89Å; I545-L596 HydrophobicContact CG2-CD1 3.98Å; D592-L596 WeakPolarHBondContact O-CB 3.17Å; D592-L596 WeakPolarHBondContact O-CG 3.26Å; D592-L596 PolarHBondContact O-N 3.28Å; L593-L596 PolarHBondContact O-N 2.95Å; L596-W599 HydrophobicContact CD2-CE3 4.31Å; L596-W599 PolarHBondContact O-N 3.12Å; L596-Q600 WeakPolarHBondContact O-CB 3.31Å; L596-Q600 PolarHBondContact O-N 3.3Å
597	I	94.4	Very high	93.4	Very high	79 Å²	79	57.3 Å²	57.3	41%	0.405	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.6	-69.9	164.7	0	0	0	110.2	W542 L593 C594 W599 Q600 I601	W542-I597 HydrophobicContact CH2-CG1 3.65Å; W542-I597 HydrophobicContact CZ2-CG1 4.33Å; L593-I597 WeakPolarHBondContact O-CB 3.4Å; L593-I597 WeakPolarHBondContact O-CD1 3.4Å; L593-I597 WeakPolarHBondContact O-CG1 3.27Å; L593-I597 PolarHBondContact O-N 3.25Å; C594-I597 PolarHBondContact O-N 2.98Å; I597-W599 PolarHBondContact O-N 3.18Å; I597-Q600 PolarHBondContact O-N 2.95Å; I597-I601 HydrophobicContact CG2-CD1 3.63Å; I597-I601 HydrophobicContact CG2-CG1 4.45Å; I597-I601 WeakPolarHBondContact O-CB 3.49Å; I597-I601 VanDerWaalsContact O-CG1 3.3Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.45Å
598	C	94.5	Very high	93.1	Very high	67 Å²	67	58.2 Å²	58.2	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-44	175.8	-72.3	0	0	0	0	111.9	C594 I595 I601 V602 W640	C594-C598 WeakPolarHBondContact O-CB 3.3Å; C594-C598 PolarHBondContact O-N 3.4Å; C594-C598 PolarHBondContact O-SG 3.04Å; I595-C598 PolarHBondContact O-N 3.22Å; C598-I601 PolarHBondContact O-N 3.22Å; C598-V602 WeakPolarHBondContact O-CB 3.43Å; C598-V602 VanDerWaalsContact O-CG2 3.27Å; C598-V602 WeakPolarHBondContact O-CG2 3.49Å; C598-V602 PolarHBondContact O-N 3.04Å; C598-W640 HydrophobicContact CB-CH2 4.26Å; C598-W640 HydrophobicContact CB-CZ3 4.48Å
599	W	93.8	Very high	92.9	Very high	12 Å²	12	60.6 Å²	60.6	5%	0.045	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-49.9	176.1	-171.6	-0	0	0	0	110.9	T541 I595 L596 I597 I601 V602 D603 L605 N634 W640 L641 V644	T541-W599 HydrophobicContact CG2-CH2 4.42Å; T541-W599 HydrophobicContact CG2-CZ3 4.11Å; I595-W599 WeakPolarHBondContact O-CB 3.48Å; I595-W599 PolarHBondContact O-N 3.34Å; L596-W599 HydrophobicContact CD2-CE3 4.31Å; L596-W599 PolarHBondContact O-N 3.12Å; I597-W599 PolarHBondContact O-N 3.18Å; W599-I601 VanDerWaalsContact C-N 3.32Å; W599-I601 PolarHBondContact O-N 2.81Å; W599-V602 PolarHBondContact O-N 3.48Å; W599-D603 PolarHBondContact NE1-O 2.98Å; W599-D603 CarbonylContact O-C 3.59Å; W599-D603 PolarHBondContact O-N 3.36Å; W599-L605 HydrophobicContact CZ2-CD1 4.43Å; W599-L605 HydrophobicContact CZ2-CD2 4.02Å; W599-L605 HydrophobicContact CZ2-CG 4.34Å; W599-N634 PolarHBondContact NE1-ND2 3.2Å; W599-W640 HydrophobicContact CB-CD2 4.03Å; W599-W640 HydrophobicContact CB-CE3 3.65Å; W599-W640 HydrophobicContact CB-CH2 4.21Å; W599-W640 HydrophobicContact CB-CZ3 3.75Å; W599-W640 AromaticContact CD1-CD1 3.84Å; W599-W640 AromaticContact CD1-CD2 3.61Å; W599-W640 AromaticContact CD1-CE2 3.82Å; W599-W640 AromaticContact CD1-CG 3.64Å; W599-W640 AromaticContact CD1-NE1 3.92Å; W599-W640 HydrophobicContact CD2-CB 3.92Å; W599-W640 HydrophobicContact CD2-CD2 4.2Å; W599-W640 HydrophobicContact CD2-CE3 4.27Å; W599-W640 HydrophobicContact CD2-CG 4.08Å; W599-W640 AromaticContact CE2-CG 3.87Å; W599-W640 HydrophobicContact CE3-CB 4.4Å; W599-W640 HydrophobicContact CG-CB 4.33Å; W599-W640 AromaticContact CG-CD2 3.69Å; W599-W640 HydrophobicContact CG-CD2 3.69Å; W599-W640 AromaticContact CG-CE3 3.74Å; W599-W640 HydrophobicContact CG-CE3 3.74Å; W599-W640 AromaticContact CG-CG 3.96Å; W599-W640 HydrophobicContact CG-CG 3.96Å; W599-W640 HydrophobicContact CG-CZ3 4.32Å; W599-W640 HydrophobicContact CH2-CB 4.36Å; W599-W640 HydrophobicContact CZ2-CB 3.85Å; W599-W640 AromaticContact NE1-CD1 3.76Å; W599-W640 AromaticContact NE1-CG 3.62Å; W599-L641 HydrophobicContact CH2-CD2 3.99Å; W599-V644 HydrophobicContact CZ3-CG2 4.43Å
600	Q	91.5	Very high	92.5	Very high	65 Å²	65	62 Å²	62	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-32.7	-178.5	-168.5	62.6	26	0	0	113.8	T538 W542 L596 I597 P604	T538-Q600 VanDerWaalsContact CG2-OE1 3.27Å; W542-Q600 HydrophobicContact CZ2-CB 4.42Å; L596-Q600 WeakPolarHBondContact O-CB 3.31Å; L596-Q600 PolarHBondContact O-N 3.3Å; I597-Q600 PolarHBondContact O-N 2.95Å; Q600-P604 WeakPolarHBondContact O-CB 3.49Å
601	I	93.1	Very high	92.3	Very high	132 Å²	132	62 Å²	62	68%	0.677	32%	0.321	S	S	*	.	H	α-helix	trans	-80.2	-38.5	179.6	-68.4	171.5	0	0	0	111.6	I597 C598 W599	I597-I601 HydrophobicContact CG2-CD1 3.63Å; I597-I601 HydrophobicContact CG2-CG1 4.45Å; I597-I601 WeakPolarHBondContact O-CB 3.49Å; I597-I601 VanDerWaalsContact O-CG1 3.3Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.45Å; C598-I601 PolarHBondContact O-N 3.22Å; W599-I601 VanDerWaalsContact C-N 3.32Å; W599-I601 PolarHBondContact O-N 2.81Å
602	V	93.8	Very high	91.8	Very high	105 Å²	105	60.1 Å²	60.1	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-87.3	-44.4	-171.7	175.6	0	0	0	0	112.7	C598 W599 W640	C598-V602 WeakPolarHBondContact O-CB 3.43Å; C598-V602 VanDerWaalsContact O-CG2 3.27Å; C598-V602 WeakPolarHBondContact O-CG2 3.49Å; C598-V602 PolarHBondContact O-N 3.04Å; W599-V602 PolarHBondContact O-N 3.48Å; V602-W640 HydrophobicContact CB-CZ2 4.03Å; V602-W640 HydrophobicContact CG1-CZ2 4.1Å
603	D	91.8	Very high	91.4	Very high	18 Å²	18	64.7 Å²	64.7	10%	0.096	34%	0.341	C	S	.	.	S	Bend	trans	-149	73.1	-175.2	-169.1	21.2	0	0	0	109.2	W599 N634 T635 H636	W599-D603 PolarHBondContact NE1-O 2.98Å; W599-D603 CarbonylContact O-C 3.59Å; W599-D603 PolarHBondContact O-N 3.36Å; D603-N634 WeakPolarHBondContact O-CB 3.39Å; D603-N634 PolarHBondContact O-ND2 3.36Å; D603-N634 VanDerWaalsContact OD2-CG 3.29Å; D603-N634 PolarHBondContact OD2-ND2 3.39Å; D603-T635 PolarHBondContact OD1-N 3.49Å; D603-T635 PolarHBondContact OD1-OG1 3.48Å; D603-T635 PolarHBondContact OD2-N 3.44Å; D603-T635 PolarHBondContact OD2-OG1 3.45Å; D603-T635 VanDerWaalsContact OD2-OG1 3.04Å; D603-H636 IonicContact OD2-CG 3.67Å; D603-H636 PolarHBondContact OD2-N 2.98Å; D603-H636 IonicContact OD2-ND1 3.47Å
604	P	91.6	Very high	90.8	Very high	36 Å²	36	66.5 Å²	66.5	23%	0.234	35%	0.351	C	S	.	.			trans	-62.7	144.1	-175	24.3	-34.1	0	0	0	112.2	Q600 R606	Q600-P604 WeakPolarHBondContact O-CB 3.49Å; P604-R606 PolarHBondContact O-N 2.81Å
605	L	89.9	Confident	90.2	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.084	35%	0.348	C	S	.	.			trans	-61.9	127.5	172.3	-68.6	164.8	0	0	0	110.4	C537 W599 N634	C537-L605 HydrophobicContact CB-CB 4.35Å; W599-L605 HydrophobicContact CZ2-CD1 4.43Å; W599-L605 HydrophobicContact CZ2-CD2 4.02Å; W599-L605 HydrophobicContact CZ2-CG 4.34Å; L605-N634 HydrophobicContact CD2-CB 4.46Å
606	R	89.3	Confident	89.3	Confident	163 Å²	163	70.1 Å²	70.1	62%	0.615	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	164.6	177.4	-66	-172.9	-176.5	-169.6	0.9	110.8	P604 T608 C632 E633	P604-R606 PolarHBondContact O-N 2.81Å; R606-T608 PolarHBondContact O-N 3.46Å; R606-C632 CarbonylContact O-C 3.58Å; R606-C632 WeakPolarHBondContact O-CA 3.48Å; R606-E633 PolarHBondContact N-O 3.36Å; R606-E633 PolarHBondContact O-N 2.92Å; R606-E633 VanDerWaalsContact O-O 3.1Å
607	R	89.2	Confident	88.3	Confident	62 Å²	62	70.5 Å²	70.5	23%	0.234	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.5	172.3	179.7	173.4	169.9	-122.2	14	110	D530 F533 E534 E630 H631	D530-R607 VanDerWaalsContact CG-CZ 3.41Å; D530-R607 IonicContact OD1-CZ 2.69Å; D530-R607 IonicContact OD1-NH1 2.91Å; D530-R607 IonicContact OD1-NH2 2.71Å; D530-R607 PolarHBondContact OD1-NH2 3.42Å; D530-R607 IonicContact OD2-CZ 2.76Å; D530-R607 VanDerWaalsContact OD2-CZ 3.26Å; D530-R607 IonicContact OD2-NH1 2.71Å; D530-R607 PolarHBondContact OD2-NH1 3.2Å; D530-R607 IonicContact OD2-NH2 3.94Å; D530-R607 PolarHBondContact OD2-NH2 3.48Å; D530-R607 VanDerWaalsContact OD2-NH2 3.17Å; F533-R607 HydrophobicContact CD1-CB 4.17Å; F533-R607 HydrophobicContact CD1-CG 4.06Å; F533-R607 HydrophobicContact CE1-CB 4.44Å; F533-R607 HydrophobicContact CE1-CG 4.17Å; E534-R607 HydrophobicContact CG-CB 4.02Å; R607-E630 IonicContact CZ-OE1 3.27Å; R607-E630 IonicContact CZ-OE2 2.68Å; R607-E630 IonicContact NE-OE1 2.69Å; R607-E630 IonicContact NE-OE2 3.76Å; R607-E630 PolarHBondContact NE-OE2 3.25Å; R607-E630 VanDerWaalsContact NH2-CD 3.27Å; R607-E630 IonicContact NH2-OE1 2.93Å; R607-E630 PolarHBondContact NH2-OE1 3.08Å; R607-E630 IonicContact NH2-OE2 3.25Å; R607-E630 PolarHBondContact NH2-OE2 3.48Å; R607-H631 WeakPolarHBondContact CA-O 3.48Å
608	T	88.8	Confident	87.1	Confident	53 Å²	53	72.3 Å²	72.3	33%	0.325	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.5	167.5	52.1	0	0	0	0	109.2	R606 E630 H631 E633	R606-T608 PolarHBondContact O-N 3.46Å; T608-E630 WeakPolarHBondContact O-CA 3.22Å; T608-H631 PolarHBondContact N-O 3.36Å; T608-H631 PolarHBondContact O-N 3.35Å; T608-H631 PolarHBondContact OG1-O 3.39Å; T608-E633 HydrophobicContact CG2-CB 4.28Å
609	V	89.4	Confident	85.8	Confident	76 Å²	76	75.9 Å²	75.9	46%	0.461	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.5	178.7	-180	0	0	0	0	108.4	F628	V609-F628 HydrophobicContact CG1-CB 3.97Å; V609-F628 HydrophobicContact CG1-CD2 3.78Å; V609-F628 HydrophobicContact CG1-CG 4.19Å
610	E	87.3	Confident	84.3	Confident	73 Å²	73	77.6 Å²	77.6	34%	0.341	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.5	177.2	-160.9	166.3	158.8	0	0	108.5	F628 L629 H631 R698	E610-F628 VanDerWaalsContact O-CA 3.27Å; E610-F628 WeakPolarHBondContact O-CA 3.4Å; E610-L629 PolarHBondContact N-O 2.96Å; E610-L629 PolarHBondContact O-N 3.01Å; E610-H631 IonicContact OE2-CD2 2.73Å; E610-H631 PolarHBondContact OE2-CD2 3.12Å; E610-H631 IonicContact OE2-NE2 2.71Å; E610-H631 PolarHBondContact OE2-NE2 3.11Å; E610-R698 IonicContact OE2-CZ 2.72Å; E610-R698 IonicContact OE2-NE 2.69Å; E610-R698 IonicContact OE2-NH2 3.48Å; E610-R698 PolarHBondContact OE2-NH2 3.29Å
611	E	89.9	Confident	83.2	Confident	106 Å²	106	80 Å²	80	50%	0.495	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.2	178.3	-71.9	-172.1	-158.7	0	0	110.5	R626 F628	E611-R626 WeakPolarHBondContact OE2-CD 3.35Å; E611-R626 IonicContact OE2-CZ 3.57Å; E611-R626 IonicContact OE2-NE 3.66Å; E611-R626 IonicContact OE2-NH1 3.46Å; E611-R626 PolarHBondContact OE2-NH1 2.84Å; E611-F628 HydrophobicContact CG-CB 4.39Å
612	Y	86.7	Confident	82.1	Confident	42 Å²	42	74.9 Å²	74.9	17%	0.165	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-94.3	168.6	176.8	-63.7	-82.4	0	0	0	111.9	R626 P627 L629	Y612-R626 WeakPolarHBondContact O-CG 3.4Å; Y612-P627 HydrophobicContact CD2-CB 4.31Å; Y612-P627 PolarHBondContact N-O 3.12Å; Y612-L629 HydrophobicContact CE2-CB 3.73Å
613	S	85.2	Confident	81.3	Confident	97 Å²	97	72 Å²	72	68%	0.678	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-55.1	150.4	174.9	53.2	0	0	0	0	112.9	E615 P627	S613-E615 PolarHBondContact O-N 3.29Å; S613-P627 VanDerWaalsContact O-CD 3.22Å; S613-P627 WeakPolarHBondContact O-CD 3.02Å
614	L	83.4	Confident	80.7	Confident	93 Å²	93	71.8 Å²	71.8	49%	0.487	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61	128.9	176.6	-66.3	169.9	0	0	0	111.7	V454 A624 I625 R626	V454-L614 HydrophobicContact CG1-CD2 3.72Å; V454-L614 HydrophobicContact CG2-CD2 4.04Å; L614-A624 HydrophobicContact CD2-CB 4.17Å; L614-I625 WeakPolarHBondContact CA-O 3.47Å; L614-R626 HydrophobicContact CD2-CB 3.81Å; L614-R626 HydrophobicContact CD2-CG 4.21Å
615	E	83.1	Confident	80.4	Confident	84 Å²	84	70.7 Å²	70.7	39%	0.393	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145.1	172.3	-65.7	175.7	-167.8	0	0	108.9	R459 S613 I625 P627	R459-E615 IonicContact CZ-OE1 2.68Å; R459-E615 IonicContact NH2-OE1 3.68Å; R459-E615 PolarHBondContact NH2-OE1 3.01Å; S613-E615 PolarHBondContact O-N 3.29Å; E615-I625 PolarHBondContact N-O 3.03Å; E615-I625 PolarHBondContact O-N 3.25Å; E615-P627 HydrophobicContact CG-CG 3.89Å; E615-P627 WeakPolarHBondContact OE1-CG 3.25Å
616	A	74.1	Confident	80.3	Confident	89 Å²	89	73.7 Å²	73.7	74%	0.736	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	143	174.5	0	0	0	0	0	110.7
617	D	74.6	Confident	80.4	Confident	12 Å²	12	66 Å²	66	6%	0.064	36%	0.361	C	S	.	.			trans	-58.3	124.5	174.4	174.6	63.5	0	0	0	110.7	Q619 G620 R621 I623 I625	D617-Q619 PolarHBondContact O-N 3.37Å; D617-Q619 WeakPolarHBondContact OD2-CB 3.47Å; D617-Q619 PolarHBondContact OD2-N 3.48Å; D617-G620 PolarHBondContact O-N 3.12Å; D617-G620 PolarHBondContact OD2-N 3.02Å; D617-R621 IonicContact OD1-CZ 3.44Å; D617-R621 IonicContact OD1-NE 3.33Å; D617-R621 IonicContact OD1-NH2 2.67Å; D617-R621 PolarHBondContact OD1-NH2 3.45Å; D617-R621 VanDerWaalsContact OD2-CB 3.24Å; D617-R621 WeakPolarHBondContact OD2-CB 3.37Å; D617-R621 WeakPolarHBondContact OD2-CG 3.5Å; D617-R621 IonicContact OD2-CZ 3.01Å; D617-R621 PolarHBondContact OD2-N 2.91Å; D617-R621 VanDerWaalsContact OD2-N 3.09Å; D617-R621 IonicContact OD2-NE 3.64Å; D617-R621 PolarHBondContact OD2-NE 3Å; D617-R621 IonicContact OD2-NH2 3.65Å; D617-R621 PolarHBondContact OD2-NH2 3.41Å; D617-I623 HydrophobicContact CB-CB 4.36Å; D617-I623 VanDerWaalsContact CB-O 3.26Å; D617-I623 WeakPolarHBondContact CB-O 3.31Å; D617-I623 PolarHBondContact N-O 3.48Å; D617-I625 HydrophobicContact CB-CD1 4.3Å
618	P	68.8	Low	80.4	Confident	118 Å²	118	64.6 Å²	64.6	77%	0.766	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.4	-176.4	26.3	-35.1	0	0	0	113.6
619	Q	67.1	Low	80.5	Confident	141 Å²	141	62.4 Å²	62.4	66%	0.659	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	6.2	171.8	-57.5	-179.4	-20.3	0	0	112.6	D617 R621	D617-Q619 PolarHBondContact O-N 3.37Å; D617-Q619 WeakPolarHBondContact OD2-CB 3.47Å; D617-Q619 PolarHBondContact OD2-N 3.48Å; Q619-R621 VanDerWaalsContact C-N 3.27Å; Q619-R621 HydrophobicContact CB-CG 4.44Å; Q619-R621 PolarHBondContact O-N 3.15Å; Q619-R621 VanDerWaalsContact OE1-NH1 3.14Å; Q619-R621 VanDerWaalsContact OE1-NH2 3.14Å
620	G	62.1	Low	80.4	Confident	48 Å²	48	59.3 Å²	59.3	50%	0.495	32%	0.323	S	S	.	.			trans	74.9	4.9	174.9	0	0	0	0	0	115.6	K262 D617	K262-G620 WeakPolarHBondContact CE-O 3.33Å; K262-G620 PolarHBondContact NZ-O 3.33Å; D617-G620 PolarHBondContact O-N 3.12Å; D617-G620 PolarHBondContact OD2-N 3.02Å
621	R	69.3	Low	80.4	Confident	116 Å²	116	56.8 Å²	56.8	44%	0.438	31%	0.312	S	S	.	.			trans	-69.8	171	-177.4	-58.8	172.3	-65.8	-167.1	-4.2	111.7	K262 D617 Q619 I623	K262-R621 PolarHBondContact NZ-O 3.33Å; D617-R621 IonicContact OD1-CZ 3.44Å; D617-R621 IonicContact OD1-NE 3.33Å; D617-R621 IonicContact OD1-NH2 2.67Å; D617-R621 PolarHBondContact OD1-NH2 3.45Å; D617-R621 VanDerWaalsContact OD2-CB 3.24Å; D617-R621 WeakPolarHBondContact OD2-CB 3.37Å; D617-R621 WeakPolarHBondContact OD2-CG 3.5Å; D617-R621 IonicContact OD2-CZ 3.01Å; D617-R621 PolarHBondContact OD2-N 2.91Å; D617-R621 VanDerWaalsContact OD2-N 3.09Å; D617-R621 IonicContact OD2-NE 3.64Å; D617-R621 PolarHBondContact OD2-NE 3Å; D617-R621 IonicContact OD2-NH2 3.65Å; D617-R621 PolarHBondContact OD2-NH2 3.41Å; Q619-R621 VanDerWaalsContact C-N 3.27Å; Q619-R621 HydrophobicContact CB-CG 4.44Å; Q619-R621 PolarHBondContact O-N 3.15Å; Q619-R621 VanDerWaalsContact OE1-NH1 3.14Å; Q619-R621 VanDerWaalsContact OE1-NH2 3.14Å; R621-I623 HydrophobicContact CB-CG1 4.48Å; R621-I623 PolarHBondContact O-N 3.39Å
622	D	69.6	Low	80.4	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.134	29%	0.292	C	S	.	.	S	Bend	trans	-81.7	48.4	177.6	-77	-22.6	0	0	0	113.6	R235 K262 F453	R235-D622 IonicContact CZ-OD1 2.69Å; R235-D622 IonicContact CZ-OD2 3.24Å; R235-D622 IonicContact NH1-OD1 2.67Å; R235-D622 PolarHBondContact NH1-OD1 3.06Å; R235-D622 IonicContact NH1-OD2 2.67Å; R235-D622 PolarHBondContact NH1-OD2 3.07Å; R235-D622 IonicContact NH2-OD1 2.84Å; R235-D622 PolarHBondContact NH2-OD1 2.81Å; R235-D622 IonicContact NH2-OD2 3.71Å; K262-D622 VanDerWaalsContact CD-OD1 3.26Å; K262-D622 WeakPolarHBondContact CD-OD1 3.33Å; K262-D622 WeakPolarHBondContact CE-OD1 3.29Å; K262-D622 WeakPolarHBondContact CG-OD1 3.29Å; K262-D622 IonicContact NZ-OD1 3.42Å; K262-D622 PolarHBondContact NZ-OD1 2.97Å; F453-D622 PolarHBondContact N-O 3.14Å
623	I	75.9	Confident	80.4	Confident	44 Å²	44	52.1 Å²	52.1	23%	0.226	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.5	177.7	-56	175.1	0	0	0	106.8	F453 R455 D617 R621	F453-I623 CarbonylContact O-C 3.35Å; F453-I623 WeakPolarHBondContact O-CA 3.39Å; F453-I623 WeakPolarHBondContact O-CG2 3.48Å; R455-I623 HydrophobicContact CB-CG2 3.63Å; D617-I623 HydrophobicContact CB-CB 4.36Å; D617-I623 VanDerWaalsContact CB-O 3.26Å; D617-I623 WeakPolarHBondContact CB-O 3.31Å; D617-I623 PolarHBondContact N-O 3.48Å; R621-I623 HydrophobicContact CB-CG1 4.48Å; R621-I623 PolarHBondContact O-N 3.39Å
624	A	80.3	Confident	80.7	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.7	166.4	0	0	0	0	0	107.5	F453 V454 R455 L614	F453-A624 PolarHBondContact O-N 3.18Å; V454-A624 CarbonylContact C-O 3.56Å; V454-A624 VanDerWaalsContact CA-O 3.29Å; V454-A624 WeakPolarHBondContact CA-O 3.27Å; V454-A624 HydrophobicContact CG2-CB 4.42Å; R455-A624 PolarHBondContact N-O 2.86Å; L614-A624 HydrophobicContact CD2-CB 4.17Å
625	I	85.3	Confident	80.9	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.5	178.8	-60.6	175.4	0	0	0	107.4	R455 Q457 L614 E615 D617	R455-I625 WeakPolarHBondContact O-CA 3.32Å; Q457-I625 HydrophobicContact CB-CG2 3.62Å; Q457-I625 HydrophobicContact CG-CG2 4.39Å; L614-I625 WeakPolarHBondContact CA-O 3.47Å; E615-I625 PolarHBondContact N-O 3.03Å; E615-I625 PolarHBondContact O-N 3.25Å; D617-I625 HydrophobicContact CB-CD1 4.3Å
626	R	88.1	Confident	81.3	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.1	167.7	-165.9	177.5	-64.6	174	-0.3	108.7	V454 R455 L456 Q457 E611 Y612 L614	V454-R626 HydrophobicContact CG1-CB 3.85Å; R455-R626 PolarHBondContact O-N 3.04Å; L456-R626 WeakPolarHBondContact CA-O 3.3Å; L456-R626 HydrophobicContact CD2-CB 4.09Å; L456-R626 HydrophobicContact CD2-CG 4.46Å; Q457-R626 PolarHBondContact N-O 2.83Å; E611-R626 WeakPolarHBondContact OE2-CD 3.35Å; E611-R626 IonicContact OE2-CZ 3.57Å; E611-R626 IonicContact OE2-NE 3.66Å; E611-R626 IonicContact OE2-NH1 3.46Å; E611-R626 PolarHBondContact OE2-NH1 2.84Å; Y612-R626 WeakPolarHBondContact O-CG 3.4Å; L614-R626 HydrophobicContact CD2-CB 3.81Å; L614-R626 HydrophobicContact CD2-CG 4.21Å
627	P	89.8	Confident	82	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.5	175.1	-5.8	21	0	0	0	109.7	Q457 R459 Y612 S613 E615	Q457-P627 CarbonylContact O-C 3.56Å; Q457-P627 VanDerWaalsContact O-CA 3.3Å; Q457-P627 WeakPolarHBondContact O-CA 3.42Å; R459-P627 HydrophobicContact CG-CB 4.12Å; Y612-P627 HydrophobicContact CD2-CB 4.31Å; Y612-P627 PolarHBondContact N-O 3.12Å; S613-P627 VanDerWaalsContact O-CD 3.22Å; S613-P627 WeakPolarHBondContact O-CD 3.02Å; E615-P627 HydrophobicContact CG-CG 3.89Å; E615-P627 WeakPolarHBondContact OE1-CG 3.25Å
628	F	90.3	Very high	82.8	Confident	32 Å²	32	52.9 Å²	52.9	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	165.4	70.1	-89.7	0	0	0	111.2	L456 Q457 R458 R459 V609 E610 E611 E630	L456-F628 HydrophobicContact CB-CD1 4.13Å; L456-F628 HydrophobicContact CB-CE1 3.97Å; Q457-F628 WeakPolarHBondContact O-CD1 3.24Å; Q457-F628 PolarHBondContact O-N 3.46Å; R458-F628 HydrophobicContact CB-CE1 4.09Å; R458-F628 HydrophobicContact CB-CE2 3.9Å; R458-F628 HydrophobicContact CB-CZ 3.65Å; R458-F628 HydrophobicContact CG-CD2 4.5Å; R458-F628 HydrophobicContact CG-CE2 3.96Å; R458-F628 HydrophobicContact CG-CZ 4.22Å; R459-F628 PolarHBondContact N-O 3.36Å; V609-F628 HydrophobicContact CG1-CB 3.97Å; V609-F628 HydrophobicContact CG1-CD2 3.78Å; V609-F628 HydrophobicContact CG1-CG 4.19Å; E610-F628 VanDerWaalsContact O-CA 3.27Å; E610-F628 WeakPolarHBondContact O-CA 3.4Å; E611-F628 HydrophobicContact CG-CB 4.39Å; F628-E630 HydrophobicContact CD2-CG 4.28Å; F628-E630 HydrophobicContact CE2-CG 4.19Å; F628-E630 WeakPolarHBondContact CE2-OE1 3.44Å
629	L	89.4	Confident	83.9	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.7	174.6	-175.3	57.4	0	0	0	109.6	E610 Y612 H631 P701	E610-L629 PolarHBondContact N-O 2.96Å; E610-L629 PolarHBondContact O-N 3.01Å; Y612-L629 HydrophobicContact CE2-CB 3.73Å; L629-H631 WeakPolarHBondContact CD2-CE1 3.33Å; L629-P701 HydrophobicContact CD1-CB 4.24Å; L629-P701 HydrophobicContact CD1-CG 3.93Å; L629-P701 HydrophobicContact CD2-CG 4.3Å
630	E	88.3	Confident	85.1	Confident	10 Å²	10	47 Å²	47	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.7	-179.1	-56.5	-173	-175.1	0	0	109.1	R458 F533 R607 T608 F628	R458-E630 IonicContact CZ-OE1 3.65Å; R458-E630 IonicContact NE-OE1 3.96Å; R458-E630 PolarHBondContact NE-OE1 3.07Å; R458-E630 IonicContact NH2-OE1 3.6Å; R458-E630 PolarHBondContact NH2-OE1 3.04Å; R458-E630 IonicContact NH2-OE2 2.7Å; F533-E630 HydrophobicContact CE1-CB 4.32Å; F533-E630 HydrophobicContact CZ-CB 4.18Å; R607-E630 IonicContact CZ-OE1 3.27Å; R607-E630 IonicContact CZ-OE2 2.68Å; R607-E630 IonicContact NE-OE1 2.69Å; R607-E630 IonicContact NE-OE2 3.76Å; R607-E630 PolarHBondContact NE-OE2 3.25Å; R607-E630 VanDerWaalsContact NH2-CD 3.27Å; R607-E630 IonicContact NH2-OE1 2.93Å; R607-E630 PolarHBondContact NH2-OE1 3.08Å; R607-E630 IonicContact NH2-OE2 3.25Å; R607-E630 PolarHBondContact NH2-OE2 3.48Å; T608-E630 WeakPolarHBondContact O-CA 3.22Å; F628-E630 HydrophobicContact CD2-CG 4.28Å; F628-E630 HydrophobicContact CE2-CG 4.19Å; F628-E630 WeakPolarHBondContact CE2-OE1 3.44Å
631	H	87.5	Confident	86.5	Confident	20 Å²	20	47.3 Å²	47.3	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	152.1	178.1	-65.1	-56.8	0	0	0	110.6	R607 T608 E610 L629 E633 R698	R607-H631 WeakPolarHBondContact CA-O 3.48Å; T608-H631 PolarHBondContact N-O 3.36Å; T608-H631 PolarHBondContact O-N 3.35Å; T608-H631 PolarHBondContact OG1-O 3.39Å; E610-H631 IonicContact OE2-CD2 2.73Å; E610-H631 PolarHBondContact OE2-CD2 3.12Å; E610-H631 IonicContact OE2-NE2 2.71Å; E610-H631 PolarHBondContact OE2-NE2 3.11Å; L629-H631 WeakPolarHBondContact CD2-CE1 3.33Å; H631-E633 HydrophobicContact CB-CG 3.88Å; H631-R698 PolarHBondContact CD2-NH2 3.09Å
632	C	88.6	Confident	87.5	Confident	13 Å²	13	43.5 Å²	43.5	9%	0.088	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	92.5	171.8	-63.5	0	0	0	0	107.4	C537 R540 R606	C537-C632 HydrophobicContact CB-CB 3.56Å; C537-C632 WeakPolarHBondContact CB-SG 3.35Å; C537-C632 WeakPolarHBondContact SG-CB 3.34Å; C537-C632 CovalentContact SG-SG 2.03Å; C537-C632 PolarHBondContact SG-SG 3.19Å; R540-C632 PolarHBondContact NH2-SG 3.46Å; R606-C632 CarbonylContact O-C 3.58Å; R606-C632 WeakPolarHBondContact O-CA 3.48Å
633	E	88.1	Confident	88.6	Confident	38 Å²	38	46.3 Å²	46.3	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	165	-175.6	-58.5	-161.8	102.1	0	0	111.6	R606 T608 H631 M637 R698	R606-E633 PolarHBondContact N-O 3.36Å; R606-E633 PolarHBondContact O-N 2.92Å; R606-E633 VanDerWaalsContact O-O 3.1Å; T608-E633 HydrophobicContact CG2-CB 4.28Å; H631-E633 HydrophobicContact CB-CG 3.88Å; E633-M637 HydrophobicContact CB-SD 4.32Å; E633-M637 HydrophobicContact CG-CE 4.22Å; E633-M637 HydrophobicContact CG-SD 4.02Å; E633-M637 WeakPolarHBondContact OE1-CE 3.35Å; E633-R698 IonicContact OE1-CZ 3.94Å; E633-R698 IonicContact OE1-NH1 3.83Å; E633-R698 PolarHBondContact OE1-NH1 3.29Å; E633-R698 IonicContact OE1-NH2 2.79Å; E633-R698 PolarHBondContact OE1-NH2 3.09Å; E633-R698 IonicContact OE2-CZ 3.41Å; E633-R698 IonicContact OE2-NH1 3.88Å; E633-R698 IonicContact OE2-NH2 3.59Å; E633-R698 PolarHBondContact OE2-NH2 2.59Å
634	N	90.1	Very high	89.4	Confident	20 Å²	20	44.7 Å²	44.7	11%	0.107	24%	0.24	C	C	.	.			trans	-136.3	172.3	170.5	72.4	-24.3	0	0	0	108.8	W599 D603 L605 H636 M637	W599-N634 PolarHBondContact NE1-ND2 3.2Å; D603-N634 WeakPolarHBondContact O-CB 3.39Å; D603-N634 PolarHBondContact O-ND2 3.36Å; D603-N634 VanDerWaalsContact OD2-CG 3.29Å; D603-N634 PolarHBondContact OD2-ND2 3.39Å; L605-N634 HydrophobicContact CD2-CB 4.46Å; N634-H636 VanDerWaalsContact C-N 3.27Å; N634-H636 PolarHBondContact O-N 2.9Å; N634-M637 WeakPolarHBondContact OD1-CA 3.41Å; N634-M637 WeakPolarHBondContact OD1-CB 3.48Å; N634-M637 PolarHBondContact OD1-N 2.78Å
635	T	89.1	Confident	90	Very high	114 Å²	114	50.1 Å²	50.1	70%	0.699	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.7	-169	54.8	0	0	0	0	113.4	D603	D603-T635 PolarHBondContact OD1-N 3.49Å; D603-T635 PolarHBondContact OD1-OG1 3.48Å; D603-T635 PolarHBondContact OD2-N 3.44Å; D603-T635 PolarHBondContact OD2-OG1 3.45Å; D603-T635 VanDerWaalsContact OD2-OG1 3.04Å
636	H	91.8	Very high	90.4	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.477	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	37.9	-176	-61.3	85.6	0	0	0	112.9	D603 N634 T638 I639 W640	D603-H636 IonicContact OD2-CG 3.67Å; D603-H636 PolarHBondContact OD2-N 2.98Å; D603-H636 IonicContact OD2-ND1 3.47Å; N634-H636 VanDerWaalsContact C-N 3.27Å; N634-H636 PolarHBondContact O-N 2.9Å; H636-T638 VanDerWaalsContact C-N 3.27Å; H636-T638 PolarHBondContact O-N 3.44Å; H636-T638 VanDerWaalsContact O-N 3.16Å; H636-I639 HydrophobicContact CB-CB 4.5Å; H636-I639 HydrophobicContact CB-CD1 4.23Å; H636-I639 PolarHBondContact O-N 3.28Å; H636-W640 PolarHBondContact O-N 2.9Å
637	M	89	Confident	90.7	Very high	43 Å²	43	50.8 Å²	50.8	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-54.3	-39	-171.7	-165.7	177	62.8	0	0	114.2	E633 N634 I639 W640 L641	E633-M637 HydrophobicContact CB-SD 4.32Å; E633-M637 HydrophobicContact CG-CE 4.22Å; E633-M637 HydrophobicContact CG-SD 4.02Å; E633-M637 WeakPolarHBondContact OE1-CE 3.35Å; N634-M637 WeakPolarHBondContact OD1-CA 3.41Å; N634-M637 WeakPolarHBondContact OD1-CB 3.48Å; N634-M637 PolarHBondContact OD1-N 2.78Å; M637-I639 VanDerWaalsContact C-N 3.32Å; M637-I639 PolarHBondContact O-N 2.99Å; M637-W640 PolarHBondContact O-N 3.01Å; M637-L641 HydrophobicContact CE-CD1 4.36Å; M637-L641 HydrophobicContact CG-CD1 3.75Å; M637-L641 HydrophobicContact CG-CG 4.11Å; M637-L641 WeakPolarHBondContact O-CB 3.44Å; M637-L641 WeakPolarHBondContact O-CG 3.18Å; M637-L641 PolarHBondContact O-N 2.89Å; M637-L641 HydrophobicContact SD-CD1 4.19Å
638	T	89.6	Confident	90.8	Very high	111 Å²	111	51.6 Å²	51.6	68%	0.681	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-36.2	179.1	51.4	0	0	0	0	112.8	H636 G642	H636-T638 VanDerWaalsContact C-N 3.27Å; H636-T638 PolarHBondContact O-N 3.44Å; H636-T638 VanDerWaalsContact O-N 3.16Å; T638-G642 PolarHBondContact O-N 3.26Å
639	I	92.3	Very high	91	Very high	96 Å²	96	51.3 Å²	51.3	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-70.6	-49.2	178.9	-64.3	171.4	0	0	0	109.9	H636 M637 G642 I643	H636-I639 HydrophobicContact CB-CB 4.5Å; H636-I639 HydrophobicContact CB-CD1 4.23Å; H636-I639 PolarHBondContact O-N 3.28Å; M637-I639 VanDerWaalsContact C-N 3.32Å; M637-I639 PolarHBondContact O-N 2.99Å; I639-G642 PolarHBondContact O-N 3.44Å; I639-I643 HydrophobicContact CG2-CD1 4Å; I639-I643 WeakPolarHBondContact O-CG1 3.27Å; I639-I643 PolarHBondContact O-N 2.72Å
640	W	92.9	Very high	91.1	Very high	38 Å²	38	57 Å²	57	14%	0.144	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-46.3	180	-71.8	105.3	0	0	0	112.6	C598 W599 V602 H636 M637 G642 I643 V644	C598-W640 HydrophobicContact CB-CH2 4.26Å; C598-W640 HydrophobicContact CB-CZ3 4.48Å; W599-W640 HydrophobicContact CB-CD2 4.03Å; W599-W640 HydrophobicContact CB-CE3 3.65Å; W599-W640 HydrophobicContact CB-CH2 4.21Å; W599-W640 HydrophobicContact CB-CZ3 3.75Å; W599-W640 AromaticContact CD1-CD1 3.84Å; W599-W640 AromaticContact CD1-CD2 3.61Å; W599-W640 AromaticContact CD1-CE2 3.82Å; W599-W640 AromaticContact CD1-CG 3.64Å; W599-W640 AromaticContact CD1-NE1 3.92Å; W599-W640 HydrophobicContact CD2-CB 3.92Å; W599-W640 HydrophobicContact CD2-CD2 4.2Å; W599-W640 HydrophobicContact CD2-CE3 4.27Å; W599-W640 HydrophobicContact CD2-CG 4.08Å; W599-W640 AromaticContact CE2-CG 3.87Å; W599-W640 HydrophobicContact CE3-CB 4.4Å; W599-W640 HydrophobicContact CG-CB 4.33Å; W599-W640 AromaticContact CG-CD2 3.69Å; W599-W640 HydrophobicContact CG-CD2 3.69Å; W599-W640 AromaticContact CG-CE3 3.74Å; W599-W640 HydrophobicContact CG-CE3 3.74Å; W599-W640 AromaticContact CG-CG 3.96Å; W599-W640 HydrophobicContact CG-CG 3.96Å; W599-W640 HydrophobicContact CG-CZ3 4.32Å; W599-W640 HydrophobicContact CH2-CB 4.36Å; W599-W640 HydrophobicContact CZ2-CB 3.85Å; W599-W640 AromaticContact NE1-CD1 3.76Å; W599-W640 AromaticContact NE1-CG 3.62Å; V602-W640 HydrophobicContact CB-CZ2 4.03Å; V602-W640 HydrophobicContact CG1-CZ2 4.1Å; H636-W640 PolarHBondContact O-N 2.9Å; M637-W640 PolarHBondContact O-N 3.01Å; W640-G642 VanDerWaalsContact C-N 3.31Å; W640-G642 PolarHBondContact O-N 2.7Å; W640-I643 PolarHBondContact O-N 3.36Å; W640-V644 WeakPolarHBondContact O-CG2 3.49Å; W640-V644 PolarHBondContact O-N 2.87Å; W640-V644 VanDerWaalsContact O-N 3.07Å
641	L	90.3	Very high	91.3	Very high	55 Å²	55	57.2 Å²	57.2	29%	0.288	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-38.9	174	-70.5	177.7	0	0	0	111.8	W599 M637 V644 Y645	W599-L641 HydrophobicContact CH2-CD2 3.99Å; M637-L641 HydrophobicContact CE-CD1 4.36Å; M637-L641 HydrophobicContact CG-CD1 3.75Å; M637-L641 HydrophobicContact CG-CG 4.11Å; M637-L641 WeakPolarHBondContact O-CB 3.44Å; M637-L641 WeakPolarHBondContact O-CG 3.18Å; M637-L641 PolarHBondContact O-N 2.89Å; M637-L641 HydrophobicContact SD-CD1 4.19Å; L641-V644 PolarHBondContact O-N 2.93Å; L641-Y645 HydrophobicContact CB-CD2 4.27Å; L641-Y645 HydrophobicContact CB-CE2 4.19Å; L641-Y645 HydrophobicContact CD2-CE2 4.39Å; L641-Y645 WeakPolarHBondContact O-CB 3.49Å; L641-Y645 VanDerWaalsContact O-CD2 3.23Å; L641-Y645 WeakPolarHBondContact O-CD2 3.29Å; L641-Y645 PolarHBondContact O-N 3.27Å
642	G	91	Very high	91.5	Very high	37 Å²	37	57.5 Å²	57.5	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-47.1	175.4	0	0	0	0	0	112.9	T638 I639 W640 A646	T638-G642 PolarHBondContact O-N 3.26Å; I639-G642 PolarHBondContact O-N 3.44Å; W640-G642 VanDerWaalsContact C-N 3.31Å; W640-G642 PolarHBondContact O-N 2.7Å; G642-A646 WeakPolarHBondContact O-CB 3.32Å; G642-A646 PolarHBondContact O-N 3.33Å
643	I	93.3	Very high	91.7	Very high	83 Å²	83	62.5 Å²	62.5	43%	0.426	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-47.9	177	-68	164.6	0	0	0	110.9	I639 W640 A646 Y647	I639-I643 HydrophobicContact CG2-CD1 4Å; I639-I643 WeakPolarHBondContact O-CG1 3.27Å; I639-I643 PolarHBondContact O-N 2.72Å; W640-I643 PolarHBondContact O-N 3.36Å; I643-A646 PolarHBondContact O-N 3.21Å; I643-Y647 PolarHBondContact O-N 3.4Å; I643-Y647 VanDerWaalsContact O-N 3.07Å
644	V	92.6	Very high	91.9	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-50.5	180	173.4	0	0	0	0	110.8	I545 I595 W599 W640 L641 A646 Y647 K648	I545-V644 HydrophobicContact CD1-CG1 4.23Å; I595-V644 HydrophobicContact CG2-CG2 3.94Å; W599-V644 HydrophobicContact CZ3-CG2 4.43Å; W640-V644 WeakPolarHBondContact O-CG2 3.49Å; W640-V644 PolarHBondContact O-N 2.87Å; W640-V644 VanDerWaalsContact O-N 3.07Å; L641-V644 PolarHBondContact O-N 2.93Å; V644-A646 PolarHBondContact O-N 3.43Å; V644-Y647 PolarHBondContact O-N 3.31Å; V644-K648 HydrophobicContact CG1-CG 4.28Å; V644-K648 WeakPolarHBondContact O-CB 3.43Å; V644-K648 WeakPolarHBondContact O-CG 3.45Å; V644-K648 PolarHBondContact O-N 3.48Å
645	Y	92.1	Very high	91.9	Very high	127 Å²	127	64.5 Å²	64.5	50%	0.498	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-35.6	-179.6	-71.4	-44.1	0	0	0	112.9	L641 G649 A691	L641-Y645 HydrophobicContact CB-CD2 4.27Å; L641-Y645 HydrophobicContact CB-CE2 4.19Å; L641-Y645 HydrophobicContact CD2-CE2 4.39Å; L641-Y645 WeakPolarHBondContact O-CB 3.49Å; L641-Y645 VanDerWaalsContact O-CD2 3.23Å; L641-Y645 WeakPolarHBondContact O-CD2 3.29Å; L641-Y645 PolarHBondContact O-N 3.27Å; Y645-G649 PolarHBondContact O-N 2.95Å; Y645-A691 HydrophobicContact CE1-CB 4.32Å
646	A	93.6	Very high	92	Very high	56 Å²	56	60.7 Å²	60.7	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-48.3	174.4	0	0	0	0	0	111.8	G642 I643 V644 K648 G649 L650	G642-A646 WeakPolarHBondContact O-CB 3.32Å; G642-A646 PolarHBondContact O-N 3.33Å; I643-A646 PolarHBondContact O-N 3.21Å; V644-A646 PolarHBondContact O-N 3.43Å; A646-K648 PolarHBondContact O-N 3.47Å; A646-G649 PolarHBondContact O-N 2.96Å; A646-L650 WeakPolarHBondContact O-CG 3.46Å; A646-L650 PolarHBondContact O-N 2.92Å
647	Y	94.4	Very high	92	Very high	50 Å²	50	60.6 Å²	60.6	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-60.4	-46.3	176.6	170.7	-118.9	0	0	0	112	M588 I591 D592 I595 I643 V644 L650 L651	M588-Y647 PolarHBondContact O-OH 3.34Å; I591-Y647 HydrophobicContact CG2-CE1 4.06Å; I591-Y647 HydrophobicContact CG2-CE2 4.07Å; D592-Y647 WeakPolarHBondContact OD1-CE1 3.17Å; D592-Y647 WeakPolarHBondContact OD2-CE1 3.37Å; I595-Y647 HydrophobicContact CD1-CD1 4.21Å; I643-Y647 PolarHBondContact O-N 3.4Å; I643-Y647 VanDerWaalsContact O-N 3.07Å; V644-Y647 PolarHBondContact O-N 3.31Å; Y647-L650 PolarHBondContact O-N 3.04Å; Y647-L651 WeakPolarHBondContact O-CB 3.49Å; Y647-L651 PolarHBondContact O-N 3.28Å
648	K	93.3	Very high	91.9	Very high	20 Å²	20	58.6 Å²	58.6	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-42	177.5	-64	-68.8	166.9	-157.2	0	112	Y548 T549 D592 V644 A646 L651 M652	Y548-K648 HydrophobicContact CD1-CD 3.79Å; Y548-K648 HydrophobicContact CE1-CD 3.6Å; T549-K648 PolarHBondContact OG1-NZ 2.97Å; D592-K648 WeakPolarHBondContact OD1-CE 3.49Å; D592-K648 IonicContact OD1-NZ 2.72Å; D592-K648 PolarHBondContact OD1-NZ 3.5Å; D592-K648 IonicContact OD2-NZ 3.58Å; D592-K648 PolarHBondContact OD2-NZ 2.99Å; V644-K648 HydrophobicContact CG1-CG 4.28Å; V644-K648 WeakPolarHBondContact O-CB 3.43Å; V644-K648 WeakPolarHBondContact O-CG 3.45Å; V644-K648 PolarHBondContact O-N 3.48Å; A646-K648 PolarHBondContact O-N 3.47Å; K648-L651 PolarHBondContact O-N 2.89Å; K648-M652 WeakPolarHBondContact O-CB 3.37Å; K648-M652 PolarHBondContact O-N 2.88Å
649	G	93.1	Very high	91.9	Very high	26 Å²	26	53.5 Å²	53.5	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.3	0	0	0	0	0	112.8	Y645 A646 M652 L653	Y645-G649 PolarHBondContact O-N 2.95Å; A646-G649 PolarHBondContact O-N 2.96Å; G649-M652 PolarHBondContact O-N 2.94Å; G649-L653 WeakPolarHBondContact O-CB 3.47Å; G649-L653 PolarHBondContact O-N 3.09Å
650	L	93.1	Very high	91.6	Very high	126 Å²	126	56.2 Å²	56.2	66%	0.66	29%	0.287	S	S	*	.	H	α-helix	trans	-63.5	-44.8	175.7	-71.1	171.8	0	0	0	112.1	A646 Y647 M652 L653 F654	A646-L650 WeakPolarHBondContact O-CG 3.46Å; A646-L650 PolarHBondContact O-N 2.92Å; Y647-L650 PolarHBondContact O-N 3.04Å; L650-M652 VanDerWaalsContact C-N 3.32Å; L650-M652 PolarHBondContact O-N 3Å; L650-L653 PolarHBondContact O-N 3.44Å; L650-F654 WeakPolarHBondContact O-CB 3.46Å; L650-F654 PolarHBondContact O-N 3.45Å
651	L	91.3	Very high	91.4	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-41.1	176.7	-176.5	64.9	0	0	0	111.7	F552 M588 Y647 K648 G655	F552-L651 HydrophobicContact CD1-CD2 4.14Å; F552-L651 HydrophobicContact CD1-CG 4.11Å; F552-L651 HydrophobicContact CE1-CD2 4.47Å; F552-L651 HydrophobicContact CE1-CG 3.94Å; M588-L651 HydrophobicContact CE-CD1 3.63Å; M588-L651 HydrophobicContact SD-CD1 4.01Å; Y647-L651 WeakPolarHBondContact O-CB 3.49Å; Y647-L651 PolarHBondContact O-N 3.28Å; K648-L651 PolarHBondContact O-N 2.89Å; L651-G655 PolarHBondContact O-N 3.37Å
652	M	91.8	Very high	90.9	Very high	25 Å²	25	56.4 Å²	56.4	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-46.7	177.8	-177.5	-178.7	76.7	0	0	112.1	F552 K648 G649 L650 F654 G655 C656 G684 C687 I688	F552-M652 HydrophobicContact CZ-CB 4.48Å; K648-M652 WeakPolarHBondContact O-CB 3.37Å; K648-M652 PolarHBondContact O-N 2.88Å; G649-M652 PolarHBondContact O-N 2.94Å; L650-M652 VanDerWaalsContact C-N 3.32Å; L650-M652 PolarHBondContact O-N 3Å; M652-F654 VanDerWaalsContact C-N 3.34Å; M652-F654 PolarHBondContact O-N 3.03Å; M652-G655 PolarHBondContact O-N 3.26Å; M652-C656 PolarHBondContact O-N 2.86Å; M652-C656 PolarHBondContact O-SG 3.39Å; M652-G684 WeakPolarHBondContact SD-CA 3.35Å; M652-C687 HydrophobicContact SD-CB 4.49Å; M652-I688 HydrophobicContact CE-CD1 3.75Å; M652-I688 HydrophobicContact CE-CG1 3.76Å
653	L	92.3	Very high	90.5	Very high	119 Å²	119	62.3 Å²	62.3	62%	0.623	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-45.2	176.1	-162.5	169	0	0	0	110.4	G649 L650 G655 C656 F657	G649-L653 WeakPolarHBondContact O-CB 3.47Å; G649-L653 PolarHBondContact O-N 3.09Å; L650-L653 PolarHBondContact O-N 3.44Å; L653-G655 PolarHBondContact O-N 3.06Å; L653-C656 WeakPolarHBondContact O-CB 3.28Å; L653-C656 PolarHBondContact O-N 3.26Å; L653-F657 PolarHBondContact O-N 3.46Å
654	F	92.7	Very high	89.6	Confident	100 Å²	100	65.1 Å²	65.1	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-36.4	176.4	-171.5	-140.8	0	0	0	112.8	F556 L650 M652 F657 L658	F556-F654 AromaticContact CE2-CD1 3.47Å; F556-F654 HydrophobicContact CE2-CD1 3.47Å; F556-F654 VanDerWaalsContact CE2-CD1 3.47Å; F556-F654 AromaticContact CE2-CE1 3.86Å; F556-F654 HydrophobicContact CE2-CE1 3.86Å; F556-F654 HydrophobicContact CE2-CG 4.13Å; F556-F654 AromaticContact CZ-CD1 3.59Å; F556-F654 HydrophobicContact CZ-CD1 3.59Å; F556-F654 AromaticContact CZ-CE1 3.5Å; F556-F654 HydrophobicContact CZ-CE1 3.5Å; F556-F654 VanDerWaalsContact CZ-CE1 3.5Å; F556-F654 HydrophobicContact CZ-CZ 4.44Å; L650-F654 WeakPolarHBondContact O-CB 3.46Å; L650-F654 PolarHBondContact O-N 3.45Å; M652-F654 VanDerWaalsContact C-N 3.34Å; M652-F654 PolarHBondContact O-N 3.03Å; F654-F657 HydrophobicContact CD2-CD1 4.04Å; F654-F657 HydrophobicContact CE2-CD1 4.07Å; F654-F657 PolarHBondContact O-N 3.27Å; F654-L658 HydrophobicContact CD2-CG 4.48Å; F654-L658 HydrophobicContact CE1-CD1 4.48Å; F654-L658 HydrophobicContact CE2-CD2 4.2Å; F654-L658 HydrophobicContact CE2-CG 4.22Å; F654-L658 HydrophobicContact CZ-CD1 4.32Å; F654-L658 HydrophobicContact CZ-CD2 4.47Å; F654-L658 HydrophobicContact CZ-CG 4.48Å; F654-L658 WeakPolarHBondContact O-CG 3.42Å; F654-L658 PolarHBondContact O-N 3.3Å
655	G	90.7	Very high	88.6	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-43.7	171.6	0	0	0	0	0	113.2	L651 M652 L653 L658 A659	L651-G655 PolarHBondContact O-N 3.37Å; M652-G655 PolarHBondContact O-N 3.26Å; L653-G655 PolarHBondContact O-N 3.06Å; G655-L658 PolarHBondContact O-N 3.15Å; G655-A659 WeakPolarHBondContact O-CB 3.35Å; G655-A659 PolarHBondContact O-N 2.83Å
656	C	90.4	Very high	86.9	Confident	33 Å²	33	65 Å²	65	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-41.7	173.4	-71.8	0	0	0	0	112	M652 L653 A659 W660 Y681	M652-C656 PolarHBondContact O-N 2.86Å; M652-C656 PolarHBondContact O-SG 3.39Å; L653-C656 WeakPolarHBondContact O-CB 3.28Å; L653-C656 PolarHBondContact O-N 3.26Å; C656-A659 WeakPolarHBondContact O-CB 3.41Å; C656-A659 PolarHBondContact O-N 2.98Å; C656-W660 PolarHBondContact O-N 3.44Å; C656-Y681 HydrophobicContact CB-CD1 4.28Å; C656-Y681 HydrophobicContact CB-CE1 4.01Å
657	F	91.6	Very high	85.5	Confident	101 Å²	101	66.3 Å²	66.3	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.9	172.8	-101.2	0	0	0	112.3	L653 F654 A659 W660 E661	L653-F657 PolarHBondContact O-N 3.46Å; F654-F657 HydrophobicContact CD2-CD1 4.04Å; F654-F657 HydrophobicContact CE2-CD1 4.07Å; F654-F657 PolarHBondContact O-N 3.27Å; F657-A659 VanDerWaalsContact C-N 3.32Å; F657-A659 PolarHBondContact O-N 2.99Å; F657-W660 WeakPolarHBondContact O-CB 3.35Å; F657-W660 PolarHBondContact O-N 3.39Å; F657-E661 HydrophobicContact CE1-CG 4.13Å; F657-E661 HydrophobicContact CE2-CG 4.1Å; F657-E661 HydrophobicContact CZ-CG 3.83Å; F657-E661 PolarHBondContact O-N 2.82Å
658	L	88.4	Confident	83.7	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-32.5	175.6	-66	-177.1	0	0	0	112.8	F556 W560 H563 F654 G655 W660 T662	F556-L658 HydrophobicContact CD2-CD1 4.19Å; F556-L658 HydrophobicContact CE1-CD1 4.4Å; F556-L658 HydrophobicContact CE2-CD1 3.45Å; F556-L658 VanDerWaalsContact CE2-CD1 3.45Å; F556-L658 HydrophobicContact CE2-CG 4.46Å; F556-L658 HydrophobicContact CZ-CD1 3.56Å; W560-L658 HydrophobicContact CB-CD1 4.03Å; H563-L658 HydrophobicContact CB-CD2 4.45Å; F654-L658 HydrophobicContact CD2-CG 4.48Å; F654-L658 HydrophobicContact CE1-CD1 4.48Å; F654-L658 HydrophobicContact CE2-CD2 4.2Å; F654-L658 HydrophobicContact CE2-CG 4.22Å; F654-L658 HydrophobicContact CZ-CD1 4.32Å; F654-L658 HydrophobicContact CZ-CD2 4.47Å; F654-L658 HydrophobicContact CZ-CG 4.48Å; F654-L658 WeakPolarHBondContact O-CG 3.42Å; F654-L658 PolarHBondContact O-N 3.3Å; G655-L658 PolarHBondContact O-N 3.15Å; L658-W660 VanDerWaalsContact C-N 3.34Å; L658-T662 WeakPolarHBondContact O-CB 3.4Å; L658-T662 WeakPolarHBondContact O-CG2 3.35Å; L658-T662 PolarHBondContact O-N 3.36Å; L658-T662 PolarHBondContact O-OG1 3.18Å
659	A	88.1	Confident	81.9	Confident	4 Å²	4	71.8 Å²	71.8	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-67.8	-34	173.3	0	0	0	0	0	112.3	G655 C656 F657 R663 V680 Y681	G655-A659 WeakPolarHBondContact O-CB 3.35Å; G655-A659 PolarHBondContact O-N 2.83Å; C656-A659 WeakPolarHBondContact O-CB 3.41Å; C656-A659 PolarHBondContact O-N 2.98Å; F657-A659 VanDerWaalsContact C-N 3.32Å; F657-A659 PolarHBondContact O-N 2.99Å; A659-R663 PolarHBondContact O-N 3.29Å; A659-V680 HydrophobicContact CB-CG1 4.45Å; A659-Y681 HydrophobicContact CB-CE1 4.27Å; A659-Y681 HydrophobicContact CB-CE2 4.5Å
660	W	87.3	Confident	80.4	Confident	152 Å²	152	73.1 Å²	73.1	58%	0.576	38%	0.38	S	S	*	.	H	α-helix	trans	-67.5	-54.3	174.5	-179.7	-96.1	0	0	0	111.6	C656 F657 L658 T662 R663 Y681	C656-W660 PolarHBondContact O-N 3.44Å; F657-W660 WeakPolarHBondContact O-CB 3.35Å; F657-W660 PolarHBondContact O-N 3.39Å; L658-W660 VanDerWaalsContact C-N 3.34Å; W660-T662 PolarHBondContact O-N 3.31Å; W660-T662 VanDerWaalsContact O-N 3.14Å; W660-R663 VanDerWaalsContact O-CB 3.23Å; W660-R663 WeakPolarHBondContact O-CB 3.49Å; W660-R663 PolarHBondContact O-N 3.45Å; W660-R663 VanDerWaalsContact O-N 3.08Å; W660-Y681 WeakPolarHBondContact CA-OH 3.42Å; W660-Y681 PolarHBondContact N-OH 3.27Å; W660-Y681 VanDerWaalsContact N-OH 3.15Å
661	E	87.2	Confident	79	Confident	93 Å²	93	71 Å²	71	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-55.9	-31.5	178.3	-75.8	-70.3	124.6	0	0	113.2	F657	F657-E661 HydrophobicContact CE1-CG 4.13Å; F657-E661 HydrophobicContact CE2-CG 4.1Å; F657-E661 HydrophobicContact CZ-CG 3.83Å; F657-E661 PolarHBondContact O-N 2.82Å
662	T	81.4	Confident	78.2	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.031	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.7	-178.2	55.5	0	0	0	0	114.7	V562 H563 L658 W660 N664	V562-T662 HydrophobicContact CB-CG2 4.08Å; V562-T662 HydrophobicContact CG1-CG2 3.8Å; H563-T662 HydrophobicContact CB-CG2 3.76Å; L658-T662 WeakPolarHBondContact O-CB 3.4Å; L658-T662 WeakPolarHBondContact O-CG2 3.35Å; L658-T662 PolarHBondContact O-N 3.36Å; L658-T662 PolarHBondContact O-OG1 3.18Å; W660-T662 PolarHBondContact O-N 3.31Å; W660-T662 VanDerWaalsContact O-N 3.14Å; T662-N664 PolarHBondContact O-N 3.47Å
663	R	82	Confident	77.7	Confident	161 Å²	161	71.3 Å²	71.3	61%	0.608	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-39.6	-176.1	177.1	-179.6	164.1	175.4	-2.5	114.1	A659 W660 V665	A659-R663 PolarHBondContact O-N 3.29Å; W660-R663 VanDerWaalsContact O-CB 3.23Å; W660-R663 WeakPolarHBondContact O-CB 3.49Å; W660-R663 PolarHBondContact O-N 3.45Å; W660-R663 VanDerWaalsContact O-N 3.08Å; R663-V665 VanDerWaalsContact C-N 3.26Å; R663-V665 PolarHBondContact O-N 2.95Å
664	N	74.6	Confident	77.2	Confident	142 Å²	142	71.2 Å²	71.2	76%	0.759	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	12.8	-171.7	-67.6	-13.4	0	0	0	113.6	T662	T662-N664 PolarHBondContact O-N 3.47Å
665	V	70.4	Confident	77	Confident	28 Å²	28	70.1 Å²	70.1	17%	0.17	36%	0.361	C	S	.	.			trans	-100.9	86.7	-173.8	-177.8	0	0	0	0	110.8	F566 R663 I667	F566-V665 HydrophobicContact CD1-CG1 3.78Å; F566-V665 HydrophobicContact CD2-CG1 3.67Å; F566-V665 HydrophobicContact CE1-CG1 3.43Å; F566-V665 VanDerWaalsContact CE1-CG1 3.43Å; F566-V665 HydrophobicContact CE2-CG1 3.36Å; F566-V665 HydrophobicContact CG-CG1 3.9Å; F566-V665 HydrophobicContact CG-CG2 4.36Å; F566-V665 HydrophobicContact CZ-CG1 3.22Å; R663-V665 VanDerWaalsContact C-N 3.26Å; R663-V665 PolarHBondContact O-N 2.95Å; V665-I667 PolarHBondContact O-N 3.09Å
666	S	56.4	Low	76.8	Confident	107 Å²	107	70.3 Å²	70.3	75%	0.748	36%	0.362	S	S	*	.			trans	-101	55.7	-170.5	51.1	0	0	0	0	114.7
667	I	64.6	Low	76.6	Confident	82 Å²	82	69 Å²	69	42%	0.421	35%	0.354	S	S	.	.			trans	-80.3	128.7	167	-57.7	-170.2	0	0	0	109.1	F566 V665 A669 L670 N671	F566-I667 HydrophobicContact CE1-CD1 3.86Å; F566-I667 HydrophobicContact CE1-CG1 4.47Å; F566-I667 HydrophobicContact CZ-CD1 3.69Å; F566-I667 HydrophobicContact CZ-CG1 4.27Å; V665-I667 PolarHBondContact O-N 3.09Å; I667-A669 HydrophobicContact CG2-CB 4.27Å; I667-A669 PolarHBondContact O-N 2.74Å; I667-A669 VanDerWaalsContact O-N 3.11Å; I667-L670 HydrophobicContact CB-CB 4.34Å; I667-L670 WeakPolarHBondContact O-CA 3.43Å; I667-L670 PolarHBondContact O-N 2.85Å; I667-N671 PolarHBondContact O-N 2.91Å
668	P	56.4	Low	76.5	Confident	124 Å²	124	68.3 Å²	68.3	81%	0.805	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-55.8	-32.7	-177.9	-29.2	35.7	0	0	0	114.8	L670	P668-L670 PolarHBondContact O-N 3.41Å
669	A	56	Low	76.6	Confident	62 Å²	62	68.2 Å²	68.2	51%	0.512	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-72.5	-4.9	175.2	0	0	0	0	0	114.7	M498 I667	M498-A669 HydrophobicContact SD-CB 4.29Å; I667-A669 HydrophobicContact CG2-CB 4.27Å; I667-A669 PolarHBondContact O-N 2.74Å; I667-A669 VanDerWaalsContact O-N 3.11Å
670	L	60.9	Low	76.7	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.277	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-127.6	7.1	-175	-111.1	85.9	0	0	0	114.4	V562 F566 I667 P668 D672 S673	V562-L670 HydrophobicContact CG1-CD2 4.06Å; V562-L670 HydrophobicContact CG2-CD2 4.02Å; F566-L670 HydrophobicContact CE2-CD2 3.76Å; F566-L670 HydrophobicContact CZ-CD2 4.26Å; I667-L670 HydrophobicContact CB-CB 4.34Å; I667-L670 WeakPolarHBondContact O-CA 3.43Å; I667-L670 PolarHBondContact O-N 2.85Å; P668-L670 PolarHBondContact O-N 3.41Å; L670-D672 PolarHBondContact O-N 3.11Å; L670-S673 PolarHBondContact O-N 2.78Å; L670-S673 PolarHBondContact O-OG 3.24Å
671	N	65.5	Low	76.9	Confident	83 Å²	83	64.6 Å²	64.6	44%	0.444	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.8	-176.9	-156.5	22	0	0	0	114.4	I667 S673 K674 Y675	I667-N671 PolarHBondContact O-N 2.91Å; N671-S673 PolarHBondContact O-N 3.15Å; N671-K674 PolarHBondContact O-N 3.48Å; N671-Y675 WeakPolarHBondContact O-CD2 3.2Å
672	D	74.4	Confident	77.1	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-54.7	-32.2	166.3	-166.8	39	0	0	0	113	S499 K558 L670 K674 Y675 I676 K727	S499-D672 WeakPolarHBondContact CB-OD2 3.5Å; S499-D672 PolarHBondContact OG-OD2 3.17Å; K558-D672 IonicContact NZ-OD2 3.09Å; K558-D672 PolarHBondContact NZ-OD2 2.71Å; K558-D672 VanDerWaalsContact NZ-OD2 3.09Å; L670-D672 PolarHBondContact O-N 3.11Å; D672-K674 VanDerWaalsContact C-N 3.34Å; D672-K674 PolarHBondContact O-N 3.05Å; D672-Y675 PolarHBondContact O-N 3.05Å; D672-I676 WeakPolarHBondContact O-CD1 2.92Å; D672-I676 WeakPolarHBondContact O-CG1 3.45Å; D672-I676 PolarHBondContact O-N 3.36Å; D672-K727 WeakPolarHBondContact OD1-CE 3.38Å; D672-K727 IonicContact OD1-NZ 2.67Å; D672-K727 PolarHBondContact OD1-NZ 3.25Å; D672-K727 IonicContact OD2-NZ 3.8Å
673	S	80	Confident	77.6	Confident	12 Å²	12	61.7 Å²	61.7	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-38.3	-178	60.1	0	0	0	0	113.3	L670 N671 I676 G677	L670-S673 PolarHBondContact O-N 2.78Å; L670-S673 PolarHBondContact O-OG 3.24Å; N671-S673 PolarHBondContact O-N 3.15Å; S673-I676 PolarHBondContact O-N 2.72Å; S673-G677 PolarHBondContact O-N 3.42Å
674	K	83.1	Confident	78	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-44.3	-177.9	-175.9	176.9	177	-179	0	111.9	N671 D672 G677 M678	N671-K674 PolarHBondContact O-N 3.48Å; D672-K674 VanDerWaalsContact C-N 3.34Å; D672-K674 PolarHBondContact O-N 3.05Å; K674-G677 PolarHBondContact O-N 2.92Å; K674-M678 HydrophobicContact CG-CE 4.22Å; K674-M678 HydrophobicContact CG-SD 4.48Å; K674-M678 WeakPolarHBondContact O-CG 3.36Å; K674-M678 PolarHBondContact O-N 3.38Å
675	Y	87.3	Confident	78.8	Confident	78 Å²	78	52.1 Å²	52.1	31%	0.306	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-35.2	178.8	-63	-75.6	0	0	0	112.4	N671 D672 M678 S679 L722 P726	N671-Y675 WeakPolarHBondContact O-CD2 3.2Å; D672-Y675 PolarHBondContact O-N 3.05Å; Y675-M678 PolarHBondContact O-N 2.94Å; Y675-S679 WeakPolarHBondContact O-CB 3.23Å; Y675-S679 PolarHBondContact O-N 3.44Å; Y675-S679 PolarHBondContact O-OG 2.92Å; Y675-L722 WeakPolarHBondContact CB-O 3.21Å; Y675-P726 HydrophobicContact CD1-CG 4.08Å; Y675-P726 HydrophobicContact CD2-CG 4.41Å; Y675-P726 HydrophobicContact CE1-CG 3.88Å; Y675-P726 HydrophobicContact CE2-CB 4.18Å; Y675-P726 HydrophobicContact CE2-CG 4.23Å; Y675-P726 HydrophobicContact CG-CG 4.34Å
676	I	86.7	Confident	79.8	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-43.7	172.6	-63.2	159.6	0	0	0	110.3	M555 K558 T559 D672 S673 M678 S679 V680 V723	M555-I676 HydrophobicContact CB-CG2 4.07Å; M555-I676 HydrophobicContact CG-CG2 4.28Å; K558-I676 HydrophobicContact CB-CD1 4.23Å; K558-I676 HydrophobicContact CD-CD1 3.92Å; T559-I676 HydrophobicContact CG2-CG2 3.79Å; D672-I676 WeakPolarHBondContact O-CD1 2.92Å; D672-I676 WeakPolarHBondContact O-CG1 3.45Å; D672-I676 PolarHBondContact O-N 3.36Å; S673-I676 PolarHBondContact O-N 2.72Å; I676-M678 PolarHBondContact O-N 3.28Å; I676-S679 WeakPolarHBondContact O-CB 3.36Å; I676-S679 PolarHBondContact O-N 3.34Å; I676-S679 VanDerWaalsContact O-N 3.15Å; I676-V680 WeakPolarHBondContact O-CG2 3.33Å; I676-V680 PolarHBondContact O-N 3.03Å; I676-V723 HydrophobicContact CG1-CG2 4.42Å
677	G	86	Confident	81.4	Confident	5 Å²	5	49.6 Å²	49.6	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-44.2	175.6	0	0	0	0	0	113.1	S673 K674 S679 V680 Y681	S673-G677 PolarHBondContact O-N 3.42Å; K674-G677 PolarHBondContact O-N 2.92Å; G677-S679 VanDerWaalsContact C-N 3.3Å; G677-S679 PolarHBondContact O-N 3.35Å; G677-V680 PolarHBondContact O-N 3.17Å; G677-Y681 WeakPolarHBondContact O-CD2 3.43Å; G677-Y681 PolarHBondContact O-N 3.11Å; G677-Y681 VanDerWaalsContact O-N 3.15Å
678	M	88.8	Confident	82.7	Confident	87 Å²	87	50.6 Å²	50.6	43%	0.429	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-39.8	172.4	-72.1	171.2	168.1	0	0	112.5	K674 Y675 I676 Y681 N682 L722	K674-M678 HydrophobicContact CG-CE 4.22Å; K674-M678 HydrophobicContact CG-SD 4.48Å; K674-M678 WeakPolarHBondContact O-CG 3.36Å; K674-M678 PolarHBondContact O-N 3.38Å; Y675-M678 PolarHBondContact O-N 2.94Å; I676-M678 PolarHBondContact O-N 3.28Å; M678-Y681 PolarHBondContact O-N 3.01Å; M678-N682 PolarHBondContact O-N 2.9Å; M678-N682 VanDerWaalsContact O-N 3.07Å; M678-L722 HydrophobicContact CB-CD1 4.24Å
679	S	90.6	Very high	84.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-42.4	177.2	-54.1	0	0	0	0	111.7	Y675 I676 G677 Y681 N682 V683	Y675-S679 WeakPolarHBondContact O-CB 3.23Å; Y675-S679 PolarHBondContact O-N 3.44Å; Y675-S679 PolarHBondContact O-OG 2.92Å; I676-S679 WeakPolarHBondContact O-CB 3.36Å; I676-S679 PolarHBondContact O-N 3.34Å; I676-S679 VanDerWaalsContact O-N 3.15Å; G677-S679 VanDerWaalsContact C-N 3.3Å; G677-S679 PolarHBondContact O-N 3.35Å; S679-Y681 PolarHBondContact O-N 3.36Å; S679-N682 PolarHBondContact O-N 3.46Å; S679-V683 WeakPolarHBondContact O-CB 3.37Å; S679-V683 WeakPolarHBondContact O-CG2 3.5Å; S679-V683 PolarHBondContact O-N 3.18Å
680	V	91.9	Very high	85.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-43.2	176.2	168	0	0	0	0	111.7	F552 M555 A659 I676 G677 G684	F552-V680 HydrophobicContact CE2-CG1 4.13Å; F552-V680 HydrophobicContact CZ-CG1 4.33Å; M555-V680 HydrophobicContact CB-CG2 4.17Å; M555-V680 HydrophobicContact SD-CG2 4.48Å; A659-V680 HydrophobicContact CB-CG1 4.45Å; I676-V680 WeakPolarHBondContact O-CG2 3.33Å; I676-V680 PolarHBondContact O-N 3.03Å; G677-V680 PolarHBondContact O-N 3.17Å; V680-G684 PolarHBondContact O-N 2.91Å
681	Y	90.4	Very high	87.2	Confident	78 Å²	78	45.2 Å²	45.2	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-65.7	-42.6	175.7	-60.2	-47.9	0	0	0	112.7	C656 A659 W660 G677 M678 S679 G684 I685	C656-Y681 HydrophobicContact CB-CD1 4.28Å; C656-Y681 HydrophobicContact CB-CE1 4.01Å; A659-Y681 HydrophobicContact CB-CE1 4.27Å; A659-Y681 HydrophobicContact CB-CE2 4.5Å; W660-Y681 WeakPolarHBondContact CA-OH 3.42Å; W660-Y681 PolarHBondContact N-OH 3.27Å; W660-Y681 VanDerWaalsContact N-OH 3.15Å; G677-Y681 WeakPolarHBondContact O-CD2 3.43Å; G677-Y681 PolarHBondContact O-N 3.11Å; G677-Y681 VanDerWaalsContact O-N 3.15Å; M678-Y681 PolarHBondContact O-N 3.01Å; S679-Y681 PolarHBondContact O-N 3.36Å; Y681-G684 PolarHBondContact O-N 3.42Å; Y681-I685 WeakPolarHBondContact O-CG1 3.43Å; Y681-I685 PolarHBondContact O-N 3.04Å
682	N	90.8	Very high	88.4	Confident	31 Å²	31	44 Å²	44	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-48	177.1	179.7	72.5	0	0	0	111.8	M678 S679 G684 M686	M678-N682 PolarHBondContact O-N 2.9Å; M678-N682 VanDerWaalsContact O-N 3.07Å; S679-N682 PolarHBondContact O-N 3.46Å; N682-G684 VanDerWaalsContact C-N 3.31Å; N682-G684 PolarHBondContact O-N 3.21Å; N682-M686 WeakPolarHBondContact O-CB 3.3Å; N682-M686 WeakPolarHBondContact O-CG 3.43Å; N682-M686 PolarHBondContact O-N 3.36Å; N682-M686 VanDerWaalsContact O-N 3.11Å
683	V	92	Very high	89.1	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-46.6	175.4	172.6	0	0	0	0	110.3	Y548 F552 M555 S679 M686 C687 T719	Y548-V683 HydrophobicContact CE2-CG1 4.14Å; F552-V683 HydrophobicContact CD2-CG1 4.21Å; M555-V683 HydrophobicContact CE-CG2 4.19Å; S679-V683 WeakPolarHBondContact O-CB 3.37Å; S679-V683 WeakPolarHBondContact O-CG2 3.5Å; S679-V683 PolarHBondContact O-N 3.18Å; V683-M686 PolarHBondContact O-N 3.45Å; V683-C687 WeakPolarHBondContact O-CB 3.38Å; V683-C687 PolarHBondContact O-N 3.15Å; V683-C687 PolarHBondContact O-SG 3.34Å; V683-T719 WeakPolarHBondContact CG2-OG1 3.36Å
684	G	90.8	Very high	89.3	Confident	4 Å²	4	45 Å²	45	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-46.7	-176.2	0	0	0	0	0	113.9	M652 V680 Y681 N682 C687 I688	M652-G684 WeakPolarHBondContact SD-CA 3.35Å; V680-G684 PolarHBondContact O-N 2.91Å; Y681-G684 PolarHBondContact O-N 3.42Å; N682-G684 VanDerWaalsContact C-N 3.31Å; N682-G684 PolarHBondContact O-N 3.21Å; G684-C687 PolarHBondContact O-N 3.22Å; G684-I688 WeakPolarHBondContact O-CG1 3.31Å; G684-I688 PolarHBondContact O-N 2.99Å
685	I	91.2	Very high	89.5	Confident	99 Å²	99	47.7 Å²	47.7	51%	0.508	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-45.9	177.7	-66.9	167.5	0	0	0	110.6	Y681 C687 I688 I689	Y681-I685 WeakPolarHBondContact O-CG1 3.43Å; Y681-I685 PolarHBondContact O-N 3.04Å; I685-C687 PolarHBondContact O-N 3.44Å; I685-I688 PolarHBondContact O-N 3.05Å; I685-I689 HydrophobicContact CG2-CD1 3.77Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 3.27Å; I685-I689 VanDerWaalsContact O-N 3.09Å
686	M	91.6	Very high	89.5	Confident	42 Å²	42	50.6 Å²	50.6	21%	0.207	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-37.6	-178.4	-70.3	-70.9	145	0	0	112.5	N682 V683 G690 V711 F714 C715	N682-M686 WeakPolarHBondContact O-CB 3.3Å; N682-M686 WeakPolarHBondContact O-CG 3.43Å; N682-M686 PolarHBondContact O-N 3.36Å; N682-M686 VanDerWaalsContact O-N 3.11Å; V683-M686 PolarHBondContact O-N 3.45Å; M686-G690 PolarHBondContact O-N 2.96Å; M686-V711 HydrophobicContact CB-CG1 4.36Å; M686-V711 WeakPolarHBondContact O-CG1 3.43Å; M686-F714 HydrophobicContact CE-CD1 3.89Å; M686-F714 HydrophobicContact CE-CE1 3.51Å; M686-F714 HydrophobicContact CE-CZ 4.36Å; M686-F714 HydrophobicContact CG-CD1 3.97Å; M686-F714 HydrophobicContact CG-CE1 4.27Å; M686-F714 HydrophobicContact SD-CD1 3.6Å; M686-F714 HydrophobicContact SD-CE1 3.89Å; M686-C715 HydrophobicContact CB-CB 4.35Å
687	C	91.1	Very high	89.7	Confident	40 Å²	40	51.3 Å²	51.3	27%	0.27	28%	0.279	S	S	.	.	H	α-helix	trans	-67.1	-38.9	175.4	-72.7	0	0	0	0	113	M652 V683 G684 I685 A691	M652-C687 HydrophobicContact SD-CB 4.49Å; V683-C687 WeakPolarHBondContact O-CB 3.38Å; V683-C687 PolarHBondContact O-N 3.15Å; V683-C687 PolarHBondContact O-SG 3.34Å; G684-C687 PolarHBondContact O-N 3.22Å; I685-C687 PolarHBondContact O-N 3.44Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.33Å
688	I	91.1	Very high	89.6	Confident	103 Å²	103	54.5 Å²	54.5	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-48.5	175.9	-66.6	167	0	0	0	110.5	M652 G684 I685 A691 A692	M652-I688 HydrophobicContact CE-CD1 3.75Å; M652-I688 HydrophobicContact CE-CG1 3.76Å; G684-I688 WeakPolarHBondContact O-CG1 3.31Å; G684-I688 PolarHBondContact O-N 2.99Å; I685-I688 PolarHBondContact O-N 3.05Å; I688-A691 PolarHBondContact O-N 3.31Å; I688-A692 WeakPolarHBondContact O-CB 3.26Å; I688-A692 PolarHBondContact O-N 3.15Å; I688-A692 VanDerWaalsContact O-N 3.12Å
689	I	90.6	Very high	89.4	Confident	82 Å²	82	54.6 Å²	54.6	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-47.1	179.4	-65.5	170.1	0	0	0	110.5	I685 A691 A692 V693	I685-I689 HydrophobicContact CG2-CD1 3.77Å; I685-I689 WeakPolarHBondContact O-CG1 3.46Å; I685-I689 PolarHBondContact O-N 3.27Å; I685-I689 VanDerWaalsContact O-N 3.09Å; I689-A691 PolarHBondContact O-N 2.93Å; I689-A692 PolarHBondContact O-N 3.42Å; I689-V693 HydrophobicContact CG2-CG2 4.3Å; I689-V693 WeakPolarHBondContact O-CG2 3.48Å; I689-V693 PolarHBondContact O-N 3.45Å
690	G	89.7	Confident	89.3	Confident	10 Å²	10	60.3 Å²	60.3	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-42.7	179.9	0	0	0	0	0	113.5	M686 S694	M686-G690 PolarHBondContact O-N 2.96Å; G690-S694 VanDerWaalsContact O-CB 3.22Å; G690-S694 WeakPolarHBondContact O-CB 3.46Å; G690-S694 PolarHBondContact O-N 3.05Å
691	A	88.4	Confident	89.2	Confident	34 Å²	34	61.1 Å²	61.1	28%	0.281	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-45.7	177.7	0	0	0	0	0	112	Y645 C687 I688 I689 F695	Y645-A691 HydrophobicContact CE1-CB 4.32Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.33Å; I688-A691 PolarHBondContact O-N 3.31Å; I689-A691 PolarHBondContact O-N 2.93Å; A691-F695 PolarHBondContact O-N 3.29Å
692	A	89.6	Confident	89.2	Confident	56 Å²	56	60.1 Å²	60.1	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-45.9	179.6	0	0	0	0	0	112.3	I688 I689 F695 L696	I688-A692 WeakPolarHBondContact O-CB 3.26Å; I688-A692 PolarHBondContact O-N 3.15Å; I688-A692 VanDerWaalsContact O-N 3.12Å; I689-A692 PolarHBondContact O-N 3.42Å; A692-F695 PolarHBondContact O-N 2.98Å; A692-L696 PolarHBondContact O-N 3.07Å
693	V	89.5	Confident	89.3	Confident	41 Å²	41	61.3 Å²	61.3	25%	0.248	33%	0.332	C	S	.	.	H	α-helix	trans	-74.8	-31.4	-177	-177.1	0	0	0	0	112.2	I689 F695 L696 T697 I707	I689-V693 HydrophobicContact CG2-CG2 4.3Å; I689-V693 WeakPolarHBondContact O-CG2 3.48Å; I689-V693 PolarHBondContact O-N 3.45Å; V693-F695 VanDerWaalsContact C-N 3.3Å; V693-F695 PolarHBondContact O-N 3.49Å; V693-L696 PolarHBondContact O-N 3.44Å; V693-T697 HydrophobicContact CG1-CG2 4.15Å; V693-T697 WeakPolarHBondContact O-CG2 3.49Å; V693-T697 PolarHBondContact O-N 3.44Å; V693-T697 PolarHBondContact O-OG1 3.15Å; V693-I707 HydrophobicContact CB-CG2 4.22Å; V693-I707 HydrophobicContact CG1-CD1 3.58Å; V693-I707 HydrophobicContact CG1-CG2 3.86Å
694	S	85.1	Confident	89.2	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-35.3	174.9	-171.8	0	0	0	0	112.5	G690 Q704	G690-S694 VanDerWaalsContact O-CB 3.22Å; G690-S694 WeakPolarHBondContact O-CB 3.46Å; G690-S694 PolarHBondContact O-N 3.05Å; S694-Q704 PolarHBondContact O-NE2 2.85Å; S694-Q704 PolarHBondContact OG-NE2 2.94Å
695	F	86.1	Confident	89.3	Confident	174 Å²	174	64 Å²	64	76%	0.763	34%	0.343	S	S	*	.	H	α-helix	trans	-68	-37.8	174.8	-169.7	-96.3	0	0	0	112.4	A691 A692 V693 T697	A691-F695 PolarHBondContact O-N 3.29Å; A692-F695 PolarHBondContact O-N 2.98Å; V693-F695 VanDerWaalsContact C-N 3.3Å; V693-F695 PolarHBondContact O-N 3.49Å; F695-T697 VanDerWaalsContact C-N 3.32Å; F695-T697 PolarHBondContact O-N 3.26Å
696	L	88.4	Confident	89.4	Confident	139 Å²	139	60.8 Å²	60.8	73%	0.728	33%	0.329	S	S	*	.	H	α-helix	trans	-75.1	-14.8	-179.5	-68	172.1	0	0	0	114.6	A692 V693	A692-L696 PolarHBondContact O-N 3.07Å; V693-L696 PolarHBondContact O-N 3.44Å
697	T	89.9	Confident	89.4	Confident	20 Å²	20	61.1 Å²	61.1	12%	0.123	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	13.8	-169.9	51.3	0	0	0	0	114.4	V693 F695 D699 Q700 V703 I707	V693-T697 HydrophobicContact CG1-CG2 4.15Å; V693-T697 WeakPolarHBondContact O-CG2 3.49Å; V693-T697 PolarHBondContact O-N 3.44Å; V693-T697 PolarHBondContact O-OG1 3.15Å; F695-T697 VanDerWaalsContact C-N 3.32Å; F695-T697 PolarHBondContact O-N 3.26Å; T697-D699 VanDerWaalsContact C-N 3.3Å; T697-D699 PolarHBondContact O-N 2.67Å; T697-Q700 PolarHBondContact O-N 3.22Å; T697-V703 HydrophobicContact CG2-CG1 3.91Å; T697-I707 HydrophobicContact CG2-CD1 4.46Å
698	R	84.9	Confident	89.5	Confident	72 Å²	72	60.6 Å²	60.6	27%	0.272	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-43.4	-177.4	176.9	-177.1	165.6	134.5	0.6	114.3	E610 H631 E633 Q700	E610-R698 IonicContact OE2-CZ 2.72Å; E610-R698 IonicContact OE2-NE 2.69Å; E610-R698 IonicContact OE2-NH2 3.48Å; E610-R698 PolarHBondContact OE2-NH2 3.29Å; H631-R698 PolarHBondContact CD2-NH2 3.09Å; E633-R698 IonicContact OE1-CZ 3.94Å; E633-R698 IonicContact OE1-NH1 3.83Å; E633-R698 PolarHBondContact OE1-NH1 3.29Å; E633-R698 IonicContact OE1-NH2 2.79Å; E633-R698 PolarHBondContact OE1-NH2 3.09Å; E633-R698 IonicContact OE2-CZ 3.41Å; E633-R698 IonicContact OE2-NH1 3.88Å; E633-R698 IonicContact OE2-NH2 3.59Å; E633-R698 PolarHBondContact OE2-NH2 2.59Å; R698-Q700 PolarHBondContact O-N 3.23Å
699	D	84.2	Confident	89.6	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.7	-174.9	-51.2	-37.5	0	0	0	113.7	T697	T697-D699 VanDerWaalsContact C-N 3.3Å; T697-D699 PolarHBondContact O-N 2.67Å
700	Q	88.9	Confident	89.8	Confident	120 Å²	120	56.1 Å²	56.1	56%	0.561	30%	0.304	S	S	*	.			trans	-124.8	80.7	-174.9	-63.9	-168.3	6.9	0	0	110.7	T697 R698 N702 V703 Q704	T697-Q700 PolarHBondContact O-N 3.22Å; R698-Q700 PolarHBondContact O-N 3.23Å; Q700-N702 VanDerWaalsContact C-N 3.27Å; Q700-N702 PolarHBondContact O-N 2.89Å; Q700-N702 VanDerWaalsContact O-N 3.14Å; Q700-V703 HydrophobicContact CB-CB 4.06Å; Q700-V703 HydrophobicContact CB-CG2 4.11Å; Q700-V703 PolarHBondContact O-N 2.98Å; Q700-Q704 PolarHBondContact O-N 3.25Å
701	P	88.9	Confident	90	Very high	18 Å²	18	56.8 Å²	56.8	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-34.9	-170.7	21.9	-34.4	0	0	0	113.4	I461 L629 V703 F705	I461-P701 HydrophobicContact CG1-CB 4.47Å; L629-P701 HydrophobicContact CD1-CB 4.24Å; L629-P701 HydrophobicContact CD1-CG 3.93Å; L629-P701 HydrophobicContact CD2-CG 4.3Å; P701-V703 PolarHBondContact O-N 2.75Å; P701-F705 VanDerWaalsContact O-CB 3.24Å; P701-F705 WeakPolarHBondContact O-CB 3.34Å; P701-F705 PolarHBondContact O-N 3.1Å
702	N	91.2	Very high	90.3	Very high	58 Å²	58	56 Å²	56	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175.1	-75	-58.2	0	0	0	113	I461 N462 L465 Q700 C706	I461-N702 WeakPolarHBondContact CA-OD1 3.48Å; N462-N702 WeakPolarHBondContact CB-OD1 3.49Å; N462-N702 PolarHBondContact N-OD1 3.13Å; L465-N702 HydrophobicContact CD2-CB 4.31Å; L465-N702 WeakPolarHBondContact CD2-O 3.24Å; Q700-N702 VanDerWaalsContact C-N 3.27Å; Q700-N702 PolarHBondContact O-N 2.89Å; Q700-N702 VanDerWaalsContact O-N 3.14Å; N702-C706 VanDerWaalsContact O-CB 3.3Å; N702-C706 WeakPolarHBondContact O-CB 3.43Å; N702-C706 PolarHBondContact O-N 3.46Å
703	V	91.7	Very high	90.5	Very high	55 Å²	55	54.1 Å²	54.1	33%	0.333	28%	0.279	S	S	.	.	H	α-helix	trans	-75.1	-46.3	-179.2	178.5	0	0	0	0	109.8	T697 Q700 P701 F705 C706 I707	T697-V703 HydrophobicContact CG2-CG1 3.91Å; Q700-V703 HydrophobicContact CB-CB 4.06Å; Q700-V703 HydrophobicContact CB-CG2 4.11Å; Q700-V703 PolarHBondContact O-N 2.98Å; P701-V703 PolarHBondContact O-N 2.75Å; V703-F705 PolarHBondContact O-N 3.14Å; V703-C706 PolarHBondContact O-N 3.18Å; V703-I707 HydrophobicContact CG1-CD1 3.64Å; V703-I707 HydrophobicContact CG1-CG1 4.43Å; V703-I707 WeakPolarHBondContact O-CG1 3.44Å; V703-I707 PolarHBondContact O-N 2.74Å
704	Q	90.9	Very high	90.8	Very high	55 Å²	55	56.8 Å²	56.8	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-57.5	-50	177.2	-166.8	-175.3	23.3	0	0	111.7	S694 Q700 C706 I707 V708	S694-Q704 PolarHBondContact O-NE2 2.85Å; S694-Q704 PolarHBondContact OG-NE2 2.94Å; Q700-Q704 PolarHBondContact O-N 3.25Å; Q704-C706 PolarHBondContact O-N 3.48Å; Q704-I707 PolarHBondContact O-N 3.4Å; Q704-V708 WeakPolarHBondContact O-CB 3.43Å; Q704-V708 VanDerWaalsContact O-CG2 3.31Å; Q704-V708 WeakPolarHBondContact O-CG2 3.04Å; Q704-V708 PolarHBondContact O-N 2.97Å
705	F	92.3	Very high	91.2	Very high	12 Å²	12	56.3 Å²	56.3	5%	0.053	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-46.3	178.5	176.1	-109.1	0	0	0	112.1	I461 L465 Y466 L469 I518 F521 P701 V703 I707 A709	I461-F705 HydrophobicContact CD1-CB 4.24Å; I461-F705 HydrophobicContact CD1-CD2 4.43Å; I461-F705 HydrophobicContact CD1-CG 4.2Å; I461-F705 HydrophobicContact CG2-CD1 3.94Å; I461-F705 HydrophobicContact CG2-CE1 4.47Å; I461-F705 HydrophobicContact CG2-CG 4.4Å; L465-F705 HydrophobicContact CD2-CD1 4.5Å; Y466-F705 HydrophobicContact CD2-CE1 4.06Å; Y466-F705 AromaticContact CD2-CZ 3.74Å; Y466-F705 HydrophobicContact CD2-CZ 3.74Å; Y466-F705 HydrophobicContact CE2-CZ 4.31Å; L469-F705 HydrophobicContact CB-CE1 4.4Å; L469-F705 HydrophobicContact CD1-CD1 3.97Å; L469-F705 HydrophobicContact CD1-CE1 3.58Å; L469-F705 HydrophobicContact CD1-CZ 4.37Å; I518-F705 HydrophobicContact CG2-CE2 4.48Å; I518-F705 HydrophobicContact CG2-CZ 4.39Å; F521-F705 HydrophobicContact CB-CD2 4.1Å; F521-F705 HydrophobicContact CB-CE2 4.01Å; P701-F705 VanDerWaalsContact O-CB 3.24Å; P701-F705 WeakPolarHBondContact O-CB 3.34Å; P701-F705 PolarHBondContact O-N 3.1Å; V703-F705 PolarHBondContact O-N 3.14Å; F705-I707 PolarHBondContact O-N 3.06Å; F705-A709 VanDerWaalsContact O-CB 3.26Å; F705-A709 WeakPolarHBondContact O-CB 3.14Å; F705-A709 PolarHBondContact O-N 3.21Å
706	C	93.6	Very high	91.5	Very high	32 Å²	32	48.6 Å²	48.6	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-48.2	178.9	-173.7	0	0	0	0	111.9	L465 N702 V703 Q704 A709 L710	L465-C706 HydrophobicContact CD1-CB 4.33Å; L465-C706 HydrophobicContact CD2-CB 4.31Å; N702-C706 VanDerWaalsContact O-CB 3.3Å; N702-C706 WeakPolarHBondContact O-CB 3.43Å; N702-C706 PolarHBondContact O-N 3.46Å; V703-C706 PolarHBondContact O-N 3.18Å; Q704-C706 PolarHBondContact O-N 3.48Å; C706-A709 PolarHBondContact O-N 2.87Å; C706-L710 WeakPolarHBondContact O-CB 3.43Å; C706-L710 VanDerWaalsContact O-CG 3.27Å; C706-L710 WeakPolarHBondContact O-CG 3.42Å; C706-L710 PolarHBondContact O-N 3.19Å
707	I	92.2	Very high	91.8	Very high	48 Å²	48	43.9 Å²	43.9	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-45.1	-176.8	-65.4	173	0	0	0	111.1	V693 T697 V703 Q704 F705 A709 L710 V711	V693-I707 HydrophobicContact CB-CG2 4.22Å; V693-I707 HydrophobicContact CG1-CD1 3.58Å; V693-I707 HydrophobicContact CG1-CG2 3.86Å; T697-I707 HydrophobicContact CG2-CD1 4.46Å; V703-I707 HydrophobicContact CG1-CD1 3.64Å; V703-I707 HydrophobicContact CG1-CG1 4.43Å; V703-I707 WeakPolarHBondContact O-CG1 3.44Å; V703-I707 PolarHBondContact O-N 2.74Å; Q704-I707 PolarHBondContact O-N 3.4Å; F705-I707 PolarHBondContact O-N 3.06Å; I707-A709 PolarHBondContact O-N 2.99Å; I707-L710 PolarHBondContact O-N 3.27Å; I707-V711 HydrophobicContact CG2-CG2 4.46Å; I707-V711 WeakPolarHBondContact O-CB 3.49Å; I707-V711 VanDerWaalsContact O-CG2 3.31Å; I707-V711 WeakPolarHBondContact O-CG2 3.39Å; I707-V711 PolarHBondContact O-N 3.22Å
708	V	91.8	Very high	92	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-45	177.5	171.6	0	0	0	0	111	Q704 V711 I712	Q704-V708 WeakPolarHBondContact O-CB 3.43Å; Q704-V708 VanDerWaalsContact O-CG2 3.31Å; Q704-V708 WeakPolarHBondContact O-CG2 3.04Å; Q704-V708 PolarHBondContact O-N 2.97Å; V708-V711 PolarHBondContact O-N 3.13Å; V708-I712 HydrophobicContact CG1-CD1 3.88Å; V708-I712 WeakPolarHBondContact O-CG1 3.35Å; V708-I712 PolarHBondContact O-N 3.47Å; V708-I712 VanDerWaalsContact O-N 3.1Å
709	A	94.1	Very high	92.4	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-47.9	177.1	0	0	0	0	0	112.1	L469 I518 F705 C706 I707 V711 I712 I713	L469-A709 HydrophobicContact CD1-CB 4.01Å; L469-A709 HydrophobicContact CD2-CB 4.26Å; I518-A709 HydrophobicContact CG2-CB 3.99Å; F705-A709 VanDerWaalsContact O-CB 3.26Å; F705-A709 WeakPolarHBondContact O-CB 3.14Å; F705-A709 PolarHBondContact O-N 3.21Å; C706-A709 PolarHBondContact O-N 2.87Å; I707-A709 PolarHBondContact O-N 2.99Å; A709-V711 PolarHBondContact O-N 3.05Å; A709-I712 PolarHBondContact O-N 3.29Å; A709-I713 WeakPolarHBondContact O-CB 3.39Å; A709-I713 WeakPolarHBondContact O-CD1 3.33Å; A709-I713 WeakPolarHBondContact O-CG1 3.35Å; A709-I713 PolarHBondContact O-N 3.38Å
710	L	93.6	Very high	92.8	Very high	89 Å²	89	38.2 Å²	38.2	47%	0.466	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-41.5	179	-73.9	173.5	0	0	0	112.5	L469 C706 I707 I713 F714	L469-L710 HydrophobicContact CD2-CD2 4.18Å; L469-L710 HydrophobicContact CD2-CG 4.37Å; C706-L710 WeakPolarHBondContact O-CB 3.43Å; C706-L710 VanDerWaalsContact O-CG 3.27Å; C706-L710 WeakPolarHBondContact O-CG 3.42Å; C706-L710 PolarHBondContact O-N 3.19Å; I707-L710 PolarHBondContact O-N 3.27Å; L710-I713 PolarHBondContact O-N 3.04Å; L710-F714 VanDerWaalsContact O-CB 3.24Å; L710-F714 WeakPolarHBondContact O-CB 3.38Å; L710-F714 PolarHBondContact O-N 3.44Å
711	V	94.5	Very high	93	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-47.1	175.7	167.8	0	0	0	0	111	M686 I707 V708 A709 C715	M686-V711 HydrophobicContact CB-CG1 4.36Å; M686-V711 WeakPolarHBondContact O-CG1 3.43Å; I707-V711 HydrophobicContact CG2-CG2 4.46Å; I707-V711 WeakPolarHBondContact O-CB 3.49Å; I707-V711 VanDerWaalsContact O-CG2 3.31Å; I707-V711 WeakPolarHBondContact O-CG2 3.39Å; I707-V711 PolarHBondContact O-N 3.22Å; V708-V711 PolarHBondContact O-N 3.13Å; A709-V711 PolarHBondContact O-N 3.05Å; V711-C715 WeakPolarHBondContact O-CB 3.32Å; V711-C715 PolarHBondContact O-N 3.26Å
712	I	94.1	Very high	93.1	Very high	18 Å²	18	36 Å²	36	9%	0.092	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-43.7	179.4	-64.4	167.1	0	0	0	111	I518 L544 V708 A709 S716	I518-I712 HydrophobicContact CD1-CB 4.08Å; I518-I712 HydrophobicContact CD1-CG2 3.82Å; I518-I712 HydrophobicContact CG1-CB 4.3Å; I518-I712 HydrophobicContact CG1-CD1 4.25Å; I518-I712 HydrophobicContact CG1-CG2 4.07Å; L544-I712 HydrophobicContact CD1-CD1 3.96Å; L544-I712 HydrophobicContact CD1-CG1 4.47Å; V708-I712 HydrophobicContact CG1-CD1 3.88Å; V708-I712 WeakPolarHBondContact O-CG1 3.35Å; V708-I712 PolarHBondContact O-N 3.47Å; V708-I712 VanDerWaalsContact O-N 3.1Å; A709-I712 PolarHBondContact O-N 3.29Å; I712-S716 VanDerWaalsContact O-CB 3.25Å; I712-S716 WeakPolarHBondContact O-CB 3.21Å; I712-S716 PolarHBondContact O-N 2.74Å; I712-S716 PolarHBondContact O-OG 2.73Å
713	I	95.4	Very high	93.1	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.082	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-51.9	179	-69.3	164.2	0	0	0	110.5	L469 I472 Y515 I518 A709 L710 S716 T717	L469-I713 HydrophobicContact CD2-CD1 4.38Å; I472-I713 HydrophobicContact CG2-CD1 4.11Å; I472-I713 HydrophobicContact CG2-CG2 3.97Å; Y515-I713 HydrophobicContact CE1-CG1 4.48Å; I518-I713 HydrophobicContact CD1-CD1 4.2Å; I518-I713 HydrophobicContact CD1-CG1 3.63Å; A709-I713 WeakPolarHBondContact O-CB 3.39Å; A709-I713 WeakPolarHBondContact O-CD1 3.33Å; A709-I713 WeakPolarHBondContact O-CG1 3.35Å; A709-I713 PolarHBondContact O-N 3.38Å; L710-I713 PolarHBondContact O-N 3.04Å; I713-S716 PolarHBondContact O-N 3.28Å; I713-T717 WeakPolarHBondContact O-CB 3.49Å; I713-T717 PolarHBondContact O-N 3.24Å; I713-T717 PolarHBondContact O-OG1 2.91Å
714	F	94.5	Very high	93	Very high	97 Å²	97	30.8 Å²	30.8	43%	0.425	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-46.8	-177.9	-173.9	-92.1	0	0	0	111.6	M686 L710 S716 I718	M686-F714 HydrophobicContact CE-CD1 3.89Å; M686-F714 HydrophobicContact CE-CE1 3.51Å; M686-F714 HydrophobicContact CE-CZ 4.36Å; M686-F714 HydrophobicContact CG-CD1 3.97Å; M686-F714 HydrophobicContact CG-CE1 4.27Å; M686-F714 HydrophobicContact SD-CD1 3.6Å; M686-F714 HydrophobicContact SD-CE1 3.89Å; L710-F714 VanDerWaalsContact O-CB 3.24Å; L710-F714 WeakPolarHBondContact O-CB 3.38Å; L710-F714 PolarHBondContact O-N 3.44Å; F714-S716 PolarHBondContact O-N 3.23Å; F714-I718 HydrophobicContact CD1-CD1 3.9Å; F714-I718 HydrophobicContact CD2-CD1 4.04Å; F714-I718 HydrophobicContact CE1-CD1 3.39Å; F714-I718 HydrophobicContact CE2-CD1 3.57Å; F714-I718 HydrophobicContact CG-CD1 4.21Å; F714-I718 HydrophobicContact CZ-CD1 3.22Å; F714-I718 WeakPolarHBondContact O-CB 3.39Å; F714-I718 WeakPolarHBondContact O-CG1 3.37Å; F714-I718 PolarHBondContact O-N 3.21Å
715	C	93.6	Very high	92.9	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.108	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-48.9	177.4	-177.2	0	0	0	0	112.1	M686 V711 T719	M686-C715 HydrophobicContact CB-CB 4.35Å; V711-C715 WeakPolarHBondContact O-CB 3.32Å; V711-C715 PolarHBondContact O-N 3.26Å; C715-T719 WeakPolarHBondContact O-CB 3.32Å; C715-T719 PolarHBondContact O-N 3.15Å; C715-T719 PolarHBondContact O-OG1 3.5Å
716	S	93.6	Very high	92.7	Very high	13 Å²	13	31.7 Å²	31.7	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-70.9	-45.4	-178.4	-54.9	0	0	0	0	112.2	I712 I713 F714 T719 L720	I712-S716 VanDerWaalsContact O-CB 3.25Å; I712-S716 WeakPolarHBondContact O-CB 3.21Å; I712-S716 PolarHBondContact O-N 2.74Å; I712-S716 PolarHBondContact O-OG 2.73Å; I713-S716 PolarHBondContact O-N 3.28Å; F714-S716 PolarHBondContact O-N 3.23Å; S716-T719 PolarHBondContact O-N 3.37Å; S716-L720 WeakPolarHBondContact O-CG 3.25Å; S716-L720 PolarHBondContact O-N 2.95Å
717	T	94.7	Very high	92.2	Very high	40 Å²	40	30.9 Å²	30.9	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-50	-178.6	-58.1	0	0	0	0	111.1	M479 Y515 I713 T719 L720 C721	M479-T717 HydrophobicContact CE-CG2 4.01Å; Y515-T717 PolarHBondContact OH-N 3.39Å; Y515-T717 PolarHBondContact OH-OG1 3.15Å; I713-T717 WeakPolarHBondContact O-CB 3.49Å; I713-T717 PolarHBondContact O-N 3.24Å; I713-T717 PolarHBondContact O-OG1 2.91Å; T717-T719 PolarHBondContact O-N 2.92Å; T717-L720 PolarHBondContact O-N 3.38Å; T717-C721 WeakPolarHBondContact O-CB 3.47Å; T717-C721 PolarHBondContact O-N 3.37Å; T717-C721 PolarHBondContact O-SG 3.21Å; T717-C721 VanDerWaalsContact O-SG 3.35Å
718	I	94.4	Very high	91.9	Very high	48 Å²	48	32 Å²	32	25%	0.246	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-40.4	-179.1	-71.1	-174.6	0	0	0	111.4	F714 L720 C721 L722	F714-I718 HydrophobicContact CD1-CD1 3.9Å; F714-I718 HydrophobicContact CD2-CD1 4.04Å; F714-I718 HydrophobicContact CE1-CD1 3.39Å; F714-I718 HydrophobicContact CE2-CD1 3.57Å; F714-I718 HydrophobicContact CG-CD1 4.21Å; F714-I718 HydrophobicContact CZ-CD1 3.22Å; F714-I718 WeakPolarHBondContact O-CB 3.39Å; F714-I718 WeakPolarHBondContact O-CG1 3.37Å; F714-I718 PolarHBondContact O-N 3.21Å; I718-L720 VanDerWaalsContact C-N 3.34Å; I718-L720 PolarHBondContact O-N 2.97Å; I718-C721 PolarHBondContact O-N 3.46Å; I718-L722 HydrophobicContact CG2-CD1 3.6Å; I718-L722 HydrophobicContact CG2-CG 3.96Å; I718-L722 WeakPolarHBondContact O-CB 3.3Å; I718-L722 WeakPolarHBondContact O-CG 3.47Å; I718-L722 PolarHBondContact O-N 3.49Å
719	T	92.2	Very high	91.5	Very high	9 Å²	9	35 Å²	35	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-45.2	176.8	-61.1	0	0	0	0	111.4	I507 M555 V683 C715 S716 T717 V723	I507-T719 HydrophobicContact CG2-CG2 4.27Å; M555-T719 HydrophobicContact CE-CG2 4.03Å; M555-T719 HydrophobicContact SD-CG2 3.69Å; V683-T719 WeakPolarHBondContact CG2-OG1 3.36Å; C715-T719 WeakPolarHBondContact O-CB 3.32Å; C715-T719 PolarHBondContact O-N 3.15Å; C715-T719 PolarHBondContact O-OG1 3.5Å; S716-T719 PolarHBondContact O-N 3.37Å; T717-T719 PolarHBondContact O-N 2.92Å; T719-V723 WeakPolarHBondContact O-CB 3.34Å; T719-V723 VanDerWaalsContact O-CG2 3.23Å; T719-V723 WeakPolarHBondContact O-CG2 3.48Å; T719-V723 PolarHBondContact O-N 3.01Å; T719-V723 VanDerWaalsContact O-N 3.15Å
720	L	93.2	Very high	90.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-46.3	175.8	-68.2	174.6	0	0	0	111.8	M479 A480 F483 I508 Y515 S716 T717 I718 V723 F724	M479-L720 HydrophobicContact CE-CB 4.37Å; M479-L720 HydrophobicContact CE-CD1 4.28Å; A480-L720 HydrophobicContact CB-CD1 3.85Å; F483-L720 HydrophobicContact CD2-CB 4.18Å; F483-L720 HydrophobicContact CE2-CB 4.17Å; I508-L720 HydrophobicContact CB-CD2 4.39Å; I508-L720 HydrophobicContact CG1-CD2 3.84Å; Y515-L720 HydrophobicContact CE2-CD1 4.32Å; S716-L720 WeakPolarHBondContact O-CG 3.25Å; S716-L720 PolarHBondContact O-N 2.95Å; T717-L720 PolarHBondContact O-N 3.38Å; I718-L720 VanDerWaalsContact C-N 3.34Å; I718-L720 PolarHBondContact O-N 2.97Å; L720-V723 PolarHBondContact O-N 3.36Å; L720-F724 HydrophobicContact CD2-CD2 4.26Å; L720-F724 HydrophobicContact CD2-CE2 4.08Å; L720-F724 WeakPolarHBondContact O-CB 3.49Å; L720-F724 WeakPolarHBondContact O-CD2 3.15Å; L720-F724 PolarHBondContact O-N 2.86Å
721	C	93.4	Very high	90.1	Very high	42 Å²	42	35.8 Å²	35.8	28%	0.284	20%	0.197	S	C	.	.	H	α-helix	trans	-61.7	-48.8	-179.9	-73.3	0	0	0	0	112.3	T717 I718 V723 F724 V725	T717-C721 WeakPolarHBondContact O-CB 3.47Å; T717-C721 PolarHBondContact O-N 3.37Å; T717-C721 PolarHBondContact O-SG 3.21Å; T717-C721 VanDerWaalsContact O-SG 3.35Å; I718-C721 PolarHBondContact O-N 3.46Å; C721-V723 VanDerWaalsContact C-N 3.34Å; C721-V723 PolarHBondContact O-N 3.36Å; C721-F724 PolarHBondContact O-N 3.05Å; C721-V725 HydrophobicContact CB-CG2 4.21Å; C721-V725 WeakPolarHBondContact O-CB 3.45Å; C721-V725 WeakPolarHBondContact O-CG2 3.47Å; C721-V725 PolarHBondContact O-N 3.38Å
722	L	91.3	Very high	89.3	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-39	178.5	-71	177.5	0	0	0	112.4	Y675 M678 I718 P726	Y675-L722 WeakPolarHBondContact CB-O 3.21Å; M678-L722 HydrophobicContact CB-CD1 4.24Å; I718-L722 HydrophobicContact CG2-CD1 3.6Å; I718-L722 HydrophobicContact CG2-CG 3.96Å; I718-L722 WeakPolarHBondContact O-CB 3.3Å; I718-L722 WeakPolarHBondContact O-CG 3.47Å; I718-L722 PolarHBondContact O-N 3.49Å; L722-P726 WeakPolarHBondContact O-CD 3.46Å; L722-P726 WeakPolarHBondContact O-CG 3.37Å
723	V	89.7	Confident	88.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-78.4	-33.4	-177.8	174.9	0	0	0	0	112.6	I676 T719 L720 C721 K727	I676-V723 HydrophobicContact CG1-CG2 4.42Å; T719-V723 WeakPolarHBondContact O-CB 3.34Å; T719-V723 VanDerWaalsContact O-CG2 3.23Å; T719-V723 WeakPolarHBondContact O-CG2 3.48Å; T719-V723 PolarHBondContact O-N 3.01Å; T719-V723 VanDerWaalsContact O-N 3.15Å; L720-V723 PolarHBondContact O-N 3.36Å; C721-V723 VanDerWaalsContact C-N 3.34Å; C721-V723 PolarHBondContact O-N 3.36Å; V723-K727 WeakPolarHBondContact O-CD 3.46Å; V723-K727 WeakPolarHBondContact O-CE 3.39Å; V723-K727 PolarHBondContact O-NZ 3.1Å
724	F	89.7	Confident	87.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-111	-31.8	-170.5	-67.1	-79.4	0	0	0	115.7	F483 N487 N504 I508 L720 C721 K727 L728	F483-F724 HydrophobicContact CB-CB 4.5Å; F483-F724 HydrophobicContact CB-CD2 4.46Å; F483-F724 HydrophobicContact CB-CG 4.26Å; F483-F724 HydrophobicContact CD1-CB 3.74Å; F483-F724 HydrophobicContact CD1-CG 4.4Å; F483-F724 HydrophobicContact CD2-CB 4.31Å; F483-F724 HydrophobicContact CE1-CB 3.95Å; F483-F724 HydrophobicContact CE2-CB 4.48Å; F483-F724 HydrophobicContact CG-CB 3.95Å; F483-F724 HydrophobicContact CG-CD2 4.48Å; F483-F724 HydrophobicContact CG-CG 4.21Å; F483-F724 HydrophobicContact CZ-CB 4.31Å; N487-F724 HydrophobicContact CB-CE1 4.29Å; N504-F724 HydrophobicContact CB-CE1 3.88Å; N504-F724 HydrophobicContact CB-CZ 3.73Å; I508-F724 HydrophobicContact CD1-CE1 3.89Å; I508-F724 HydrophobicContact CD1-CE2 3.79Å; I508-F724 HydrophobicContact CD1-CZ 3.4Å; I508-F724 HydrophobicContact CG1-CD2 4.45Å; I508-F724 HydrophobicContact CG1-CE2 3.54Å; I508-F724 HydrophobicContact CG1-CZ 3.6Å; L720-F724 HydrophobicContact CD2-CD2 4.26Å; L720-F724 HydrophobicContact CD2-CE2 4.08Å; L720-F724 WeakPolarHBondContact O-CB 3.49Å; L720-F724 WeakPolarHBondContact O-CD2 3.15Å; L720-F724 PolarHBondContact O-N 2.86Å; C721-F724 PolarHBondContact O-N 3.05Å; F724-K727 WeakPolarHBondContact O-CB 3.47Å; F724-K727 PolarHBondContact O-N 3.01Å; F724-L728 PolarHBondContact O-N 2.97Å
725	V	89.4	Confident	85.3	Confident	53 Å²	53	51.9 Å²	51.9	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-44.6	-178.2	175.2	0	0	0	0	112.6	F483 C721 K727 L728 I729	F483-V725 HydrophobicContact CZ-CG2 4.07Å; C721-V725 HydrophobicContact CB-CG2 4.21Å; C721-V725 WeakPolarHBondContact O-CB 3.45Å; C721-V725 WeakPolarHBondContact O-CG2 3.47Å; C721-V725 PolarHBondContact O-N 3.38Å; V725-K727 VanDerWaalsContact C-N 3.26Å; V725-K727 PolarHBondContact O-N 3.16Å; V725-L728 PolarHBondContact O-N 3.01Å; V725-I729 HydrophobicContact CG1-CD1 3.67Å; V725-I729 HydrophobicContact CG1-CG1 4.25Å; V725-I729 WeakPolarHBondContact O-CG1 3.39Å; V725-I729 PolarHBondContact O-N 2.88Å
726	P	87.1	Confident	83.2	Confident	33 Å²	33	57.1 Å²	57.1	21%	0.214	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-36.7	176.2	-25.3	35.3	0	0	0	113.2	Y675 L722 T730	Y675-P726 HydrophobicContact CD1-CG 4.08Å; Y675-P726 HydrophobicContact CD2-CG 4.41Å; Y675-P726 HydrophobicContact CE1-CG 3.88Å; Y675-P726 HydrophobicContact CE2-CB 4.18Å; Y675-P726 HydrophobicContact CE2-CG 4.23Å; Y675-P726 HydrophobicContact CG-CG 4.34Å; L722-P726 WeakPolarHBondContact O-CD 3.46Å; L722-P726 WeakPolarHBondContact O-CG 3.37Å; P726-T730 WeakPolarHBondContact O-CB 3.4Å; P726-T730 PolarHBondContact O-N 3.09Å; P726-T730 PolarHBondContact O-OG1 2.89Å
727	K	84.9	Confident	81.1	Confident	15 Å²	15	60.1 Å²	60.1	7%	0.065	33%	0.33	C	S	.	.	H	α-helix	trans	-67.5	-44.7	177.3	-63.4	177.1	178.5	122.8	0	111.4	S499 D672 V723 F724 V725 T730 M731	S499-K727 WeakPolarHBondContact OG-CE 3.39Å; S499-K727 PolarHBondContact OG-NZ 2.96Å; D672-K727 WeakPolarHBondContact OD1-CE 3.38Å; D672-K727 IonicContact OD1-NZ 2.67Å; D672-K727 PolarHBondContact OD1-NZ 3.25Å; D672-K727 IonicContact OD2-NZ 3.8Å; V723-K727 WeakPolarHBondContact O-CD 3.46Å; V723-K727 WeakPolarHBondContact O-CE 3.39Å; V723-K727 PolarHBondContact O-NZ 3.1Å; F724-K727 WeakPolarHBondContact O-CB 3.47Å; F724-K727 PolarHBondContact O-N 3.01Å; V725-K727 VanDerWaalsContact C-N 3.26Å; V725-K727 PolarHBondContact O-N 3.16Å; K727-T730 PolarHBondContact O-N 3.02Å; K727-M731 VanDerWaalsContact O-CG 3.25Å; K727-M731 WeakPolarHBondContact O-CG 3.23Å; K727-M731 PolarHBondContact O-N 3.23Å
728	L	84.9	Confident	78.9	Confident	71 Å²	71	59.6 Å²	59.6	37%	0.372	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-45.9	177.8	-177.6	63.5	0	0	0	111.5	F486 F724 V725 M731 R732	F486-L728 HydrophobicContact CD2-CD1 3.82Å; F486-L728 HydrophobicContact CE1-CB 4.49Å; F486-L728 HydrophobicContact CE1-CD1 4.35Å; F486-L728 HydrophobicContact CE2-CD1 3.38Å; F486-L728 HydrophobicContact CG-CD1 4.47Å; F486-L728 HydrophobicContact CZ-CB 4.27Å; F486-L728 HydrophobicContact CZ-CD1 3.67Å; F724-L728 PolarHBondContact O-N 2.97Å; V725-L728 PolarHBondContact O-N 3.01Å; L728-M731 PolarHBondContact O-N 3.32Å; L728-R732 PolarHBondContact O-N 2.76Å; L728-R732 VanDerWaalsContact O-N 3.13Å
729	I	83.6	Confident	76.6	Confident	95 Å²	95	63 Å²	63	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-49.5	177.4	-65.8	169.4	0	0	0	110.5	V725 M731 R732 T733	V725-I729 HydrophobicContact CG1-CD1 3.67Å; V725-I729 HydrophobicContact CG1-CG1 4.25Å; V725-I729 WeakPolarHBondContact O-CG1 3.39Å; V725-I729 PolarHBondContact O-N 2.88Å; I729-M731 VanDerWaalsContact C-N 3.3Å; I729-M731 PolarHBondContact O-N 3.38Å; I729-R732 PolarHBondContact O-N 3.45Å; I729-T733 HydrophobicContact CG2-CG2 4.38Å; I729-T733 PolarHBondContact O-N 3.08Å; I729-T733 PolarHBondContact O-OG1 3.14Å; I729-T733 VanDerWaalsContact O-OG1 3.1Å
730	T	79.7	Confident	74.1	Confident	68 Å²	68	69.9 Å²	69.9	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-37	-177.8	-59.9	0	0	0	0	112.3	L495 P726 K727 R732 N734	L495-T730 HydrophobicContact CD2-CG2 4.07Å; P726-T730 WeakPolarHBondContact O-CB 3.4Å; P726-T730 PolarHBondContact O-N 3.09Å; P726-T730 PolarHBondContact O-OG1 2.89Å; K727-T730 PolarHBondContact O-N 3.02Å; T730-R732 VanDerWaalsContact C-N 3.35Å; T730-N734 PolarHBondContact O-N 3.47Å
731	M	77.6	Confident	71.5	Confident	38 Å²	38	76 Å²	76	19%	0.187	42%	0.417	C	S	.	.	H	α-helix	trans	-70.5	-29.2	174.6	-62.8	-131.1	-54.2	0	0	113.1	F486 N490 H493 L495 I496 K727 L728 I729	F486-M731 HydrophobicContact CE1-CE 4.47Å; F486-M731 HydrophobicContact CE2-CE 3.53Å; F486-M731 HydrophobicContact CZ-CE 3.43Å; F486-M731 VanDerWaalsContact CZ-CE 3.43Å; F486-M731 HydrophobicContact CZ-CG 4.42Å; N490-M731 HydrophobicContact CB-CE 3.68Å; N490-M731 WeakPolarHBondContact ND2-CE 3.5Å; H493-M731 HydrophobicContact CB-SD 4.41Å; H493-M731 PolarHBondContact ND1-SD 3.12Å; L495-M731 HydrophobicContact CD2-CG 3.83Å; I496-M731 HydrophobicContact CD1-CE 3.9Å; I496-M731 HydrophobicContact CD1-SD 4.02Å; K727-M731 VanDerWaalsContact O-CG 3.25Å; K727-M731 WeakPolarHBondContact O-CG 3.23Å; K727-M731 PolarHBondContact O-N 3.23Å; L728-M731 PolarHBondContact O-N 3.32Å; I729-M731 VanDerWaalsContact C-N 3.3Å; I729-M731 PolarHBondContact O-N 3.38Å
732	R	79.3	Confident	69	Low	225 Å²	225	84.2 Å²	84.2	85%	0.849	44%	0.442	S	S	*	.	H	α-helix	trans	-80.4	-31.3	179.7	-168.8	175.7	-176.9	176.8	1.2	112.8	L728 I729 T730	L728-R732 PolarHBondContact O-N 2.76Å; L728-R732 VanDerWaalsContact O-N 3.13Å; I729-R732 PolarHBondContact O-N 3.45Å; T730-R732 VanDerWaalsContact C-N 3.35Å
733	T	78.7	Confident	66.3	Low	90 Å²	90	92.3 Å²	92.3	55%	0.552	47%	0.469	S	S	*	.	H	α-helix	trans	-90.1	-24.7	-178.6	52.6	0	0	0	0	114.5	I729	I729-T733 HydrophobicContact CG2-CG2 4.38Å; I729-T733 PolarHBondContact O-N 3.08Å; I729-T733 PolarHBondContact O-OG1 3.14Å; I729-T733 VanDerWaalsContact O-OG1 3.1Å
734	N	62.7	Low	64	Low	97 Å²	97	99.2 Å²	99.2	52%	0.519	51%	0.505	S	S	.	.			trans	-139.4	80.7	-176.8	-76.5	-64.5	0	0	0	112.9	T730 A737	T730-N734 PolarHBondContact O-N 3.47Å; N734-A737 HydrophobicContact CB-CB 4.18Å
735	P	57.7	Low	61.4	Low	81 Å²	81	108.9 Å²	108.9	53%	0.526	55%	0.547	S	S	.	.	S	Bend	trans	-66.1	-39.8	174	25	-32.2	0	0	0	113.2
736	D	50.2	Low	58.8	Low	125 Å²	125	115.7 Å²	115.7	67%	0.668	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-91.6	-14.3	-167.5	-66.4	-56.3	0	0	0	115.9	A738 T739	D736-A738 PolarHBondContact O-N 3.35Å; D736-T739 PolarHBondContact O-N 3.28Å; D736-T739 VanDerWaalsContact O-N 3.16Å
737	A	49.2	Very low	56.1	Low	77 Å²	77	120.7 Å²	120.7	64%	0.636	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-64	-11.4	176.8	0	0	0	0	0	113.6	N734	N734-A737 HydrophobicContact CB-CB 4.18Å
738	A	48.3	Very low	53.5	Low	28 Å²	28	128.2 Å²	128.2	23%	0.231	64%	0.638	C	S	.	*	G	3₁₀ helix	trans	-77.3	-23.3	177.2	0	0	0	0	0	113.9	R494 D736	R494-A738 PolarHBondContact NH1-O 3.23Å; D736-A738 PolarHBondContact O-N 3.35Å
739	T	45.9	Very low	51	Low	120 Å²	120	132.9 Å²	132.9	74%	0.736	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-25.3	-162	-44.3	0	0	0	0	113.8	D736	D736-T739 PolarHBondContact O-N 3.28Å; D736-T739 VanDerWaalsContact O-N 3.16Å
740	Q	39.6	Very low	48.6	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	68%	0.677	S	S	*	*			trans	-103.9	132.9	-173.7	-130.6	177.4	1.5	0	0	115
741	N	38.7	Very low	46.2	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	70%	0.699	S	S	*	*			trans	86.9	113.2	158.2	-65.5	-36.6	0	0	0	122.6
742	R	40.1	Very low	43.9	Very low	216 Å²	216	148 Å²	148	82%	0.815	72%	0.722	S	S	*	*			trans	61.8	93.7	145.3	-78.6	-176.7	167.6	161.3	-0.1	120.8
743	R	36.3	Very low	41.5	Very low	221 Å²	221	143.8 Å²	143.8	83%	0.834	71%	0.712	S	S	*	*	S	Bend		-74.6	150	123	-108.9	-179.1	-174.3	-177	3.5	108.9
744	L	39.8	Very low	39	Very low	146 Å²	146	145.9 Å²	145.9	76%	0.764	72%	0.72	S	S	*	*			trans	87.7	84.8	179.4	-63.1	159	0	0	0	116.8
745	K	36.5	Very low	37.4	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	73%	0.73	S	S	*	*				-153.5	86.7	118.6	-105.8	-171.3	-179.7	-170.3	0	109.3
746	F	33.1	Very low	36.1	Very low	196 Å²	196	151.7 Å²	151.7	86%	0.86	75%	0.745	S	S	*	*	S	Bend	trans	-148.1	142.7	157.2	-131.6	-91	0	0	0	106.2
747	T	32	Very low	34.9	Very low	138 Å²	138	152 Å²	152	85%	0.847	75%	0.752	S	S	*	*			trans	70.3	86.7	-167.7	-29	0	0	0	0	114.5
748	Q	30.3	Very low	33.9	Very low	173 Å²	173	153 Å²	153	81%	0.808	75%	0.754	S	S	*	*				-167.5	99.3	114.8	-164.3	166.5	5.6	0	0	109.6
749	N	32.5	Very low	33.1	Very low	170 Å²	170	157.6 Å²	157.6	91%	0.909	78%	0.78	S	S	*	*			trans	-117	93.1	162.4	-112.4	11.1	0	0	0	106.1
750	Q	32.4	Very low	32.5	Very low	164 Å²	164	156.7 Å²	156.7	77%	0.766	78%	0.778	S	S	*	*			trans	-166.2	109	167.2	-115.7	-177.7	16.9	0	0	110.3
751	K	29.6	Very low	32.2	Very low	202 Å²	202	155.6 Å²	155.6	88%	0.878	78%	0.782	S	S	*	*			trans	56.9	162	159.9	-64.7	-179.8	176.1	-177.6	0	117.6
752	K	29.7	Very low	32.2	Very low	152 Å²	152	156.3 Å²	156.3	66%	0.661	79%	0.791	S	S	*	*			cis	-168	146.2	-38	-171.1	-178	175.8	-123.5	0	104.4
753	E	27.6	Very low	32.6	Very low	136 Å²	136	151.3 Å²	151.3	64%	0.636	79%	0.789	S	S	*	*			trans	72.1	148.6	159.5	-88.4	151.2	178.4	0	0	122
754	D	27.6	Very low	33.2	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	79%	0.786	S	S	*	*			trans	76.4	91	149.2	-57.4	-14.4	0	0	0	123.8
755	S	27.2	Very low	33.8	Very low	105 Å²	105	147 Å²	147	73%	0.734	79%	0.788	S	S	*	*				92.4	125.6	116	79.2	0	0	0	0	120.5
756	K	30.6	Very low	34.4	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	78%	0.783	S	S	*	*			trans	34.7	112.2	143.7	-56.2	177.8	-176.9	177.1	0	118
757	T	26.5	Very low	35.2	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	77%	0.772	S	S	*	*				176.4	155.8	93.2	-64.6	0	0	0	0	110.3
758	S	28.1	Very low	36.1	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	77%	0.765	S	S	*	*			trans	-28.9	157.8	170.5	-42.2	0	0	0	0	117.1
759	T	30.3	Very low	37.3	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	75%	0.752	S	S	*	*			cis	-163.1	155.2	32.8	-32.1	0	0	0	0	111.8
760	S	34.2	Very low	38.3	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	73%	0.733	S	S	*	*			trans	51	116.1	154.4	59.7	0	0	0	0	121
761	V	33.8	Very low	39.4	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	73%	0.733	S	S	*	*				171.7	108.3	113.9	168	0	0	0	0	108.8
762	T	37.4	Very low	40.9	Very low	144 Å²	144	129 Å²	129	88%	0.883	72%	0.717	S	S	*	*			trans	-147.5	94.3	173.2	-43.4	0	0	0	0	111.8
763	S	49.7	Very low	42.4	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	71%	0.711	S	S	*	*			trans	-159.6	22.3	170.9	61	0	0	0	0	116.8
764	V	48.9	Very low	44.5	Very low	126 Å²	126	121.7 Å²	121.7	76%	0.764	70%	0.698	S	S	*	*	S	Bend	trans	-140.7	42.3	176.9	-155.2	0	0	0	0	113.8
765	N	52.7	Low	46.5	Very low	151 Å²	151	121 Å²	121	81%	0.807	69%	0.694	S	S	*	*	S	Bend	trans	-140.5	9.8	178.5	-99.4	-24.4	0	0	0	115.5
766	Q	48.5	Very low	48.6	Very low	170 Å²	170	122 Å²	122	79%	0.794	69%	0.686	S	S	*	*	S	Bend	trans	-107.5	-0.8	-170.9	-158.2	162.5	-2.8	0	0	114.7
767	T	48.7	Very low	50.6	Low	100 Å²	100	117 Å²	117	61%	0.613	67%	0.673	S	S	*	*	S	Bend	trans	-100.2	-14.6	-175.7	42.2	0	0	0	0	115.2
768	N	52.3	Low	53	Low	131 Å²	131	114.9 Å²	114.9	70%	0.701	66%	0.656	S	S	*	*	S	Bend	trans	-96.7	-19	-179.2	-75.6	-15.8	0	0	0	113.9
769	T	54.7	Low	54.9	Low	87 Å²	87	114.3 Å²	114.3	53%	0.534	65%	0.645	S	S	.	*	S	Bend	trans	-78.6	-41.1	176.9	40.4	0	0	0	0	112.1	R771 L772 D773	T769-R771 PolarHBondContact O-N 2.83Å; T769-L772 PolarHBondContact O-N 3.11Å; T769-L772 VanDerWaalsContact O-N 3.13Å; T769-D773 PolarHBondContact O-N 3.21Å
770	S	53.3	Low	57.2	Low	75 Å²	75	114.4 Å²	114.4	52%	0.524	64%	0.637	S	S	.	*	H	α-helix	trans	-65.5	-31.6	-179.3	54.5	0	0	0	0	114.5	L772 G774	S770-L772 VanDerWaalsContact C-N 3.33Å; S770-G774 PolarHBondContact O-N 2.78Å
771	R	56.7	Low	59.4	Low	199 Å²	199	117.2 Å²	117.2	75%	0.751	63%	0.632	S	S	*	*	H	α-helix	trans	-72.7	-23.7	174.3	-89.7	-178.1	162	147.2	-3.4	113.7	T769 L775	T769-R771 PolarHBondContact O-N 2.83Å; R771-L775 WeakPolarHBondContact O-CG 3.49Å
772	L	60.6	Low	61.6	Low	106 Å²	106	115.9 Å²	115.9	56%	0.555	62%	0.62	S	S	*	*	H	α-helix	trans	-81	-42	-179.1	-165.8	65.5	0	0	0	111.4	T769 S770 L775 Q776	T769-L772 PolarHBondContact O-N 3.11Å; T769-L772 VanDerWaalsContact O-N 3.13Å; S770-L772 VanDerWaalsContact C-N 3.33Å; L772-L775 PolarHBondContact O-N 3.46Å; L772-Q776 PolarHBondContact O-N 2.98Å; L772-Q776 VanDerWaalsContact O-N 3.14Å
773	D	60.2	Low	63.6	Low	100 Å²	100	116.8 Å²	116.8	54%	0.535	61%	0.607	S	S	.	*	H	α-helix	trans	-63.7	-39.5	175.5	-73.3	-16.4	0	0	0	112.2	T769 L775 Q776 T777	T769-D773 PolarHBondContact O-N 3.21Å; D773-L775 PolarHBondContact O-N 3.22Å; D773-Q776 PolarHBondContact O-N 3.25Å; D773-T777 PolarHBondContact O-N 3.23Å; D773-T777 PolarHBondContact O-OG1 3.29Å
774	G	71.9	Confident	65	Low	34 Å²	34	116.9 Å²	116.9	35%	0.351	60%	0.597	S	S	.	*	H	α-helix	trans	-58.6	-49	175.9	0	0	0	0	0	112.6	S770 Q776 T777 D778	S770-G774 PolarHBondContact O-N 2.78Å; G774-Q776 VanDerWaalsContact C-N 3.33Å; G774-Q776 PolarHBondContact O-N 3.32Å; G774-T777 WeakPolarHBondContact O-CB 3.48Å; G774-T777 PolarHBondContact O-N 3.11Å; G774-D778 PolarHBondContact O-N 3.38Å
775	L	69.3	Low	66.5	Low	122 Å²	122	117.8 Å²	117.8	64%	0.639	59%	0.586	S	S	*	*	H	α-helix	trans	-67.4	-29.5	179.2	-71.7	170.8	0	0	0	113.4	R771 L772 D773 N779	R771-L775 WeakPolarHBondContact O-CG 3.49Å; L772-L775 PolarHBondContact O-N 3.46Å; D773-L775 PolarHBondContact O-N 3.22Å; L775-N779 PolarHBondContact O-N 3.5Å
776	Q	71.3	Confident	67.7	Low	125 Å²	125	115.4 Å²	115.4	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-70.6	-38.9	172	-74.3	-173.4	-20.1	0	0	111.9	L772 D773 G774 N779 H780	L772-Q776 PolarHBondContact O-N 2.98Å; L772-Q776 VanDerWaalsContact O-N 3.14Å; D773-Q776 PolarHBondContact O-N 3.25Å; G774-Q776 VanDerWaalsContact C-N 3.33Å; G774-Q776 PolarHBondContact O-N 3.32Å; Q776-N779 PolarHBondContact O-N 3.03Å; Q776-H780 PolarHBondContact O-N 3.17Å; Q776-H780 VanDerWaalsContact O-N 3.11Å
777	T	73.8	Confident	69.3	Low	91 Å²	91	111.4 Å²	111.4	56%	0.558	56%	0.56	S	S	*	*	H	α-helix	trans	-64.7	-44.1	178.1	-52.1	0	0	0	0	111.4	D773 G774 N779 H780 R781	D773-T777 PolarHBondContact O-N 3.23Å; D773-T777 PolarHBondContact O-OG1 3.29Å; G774-T777 WeakPolarHBondContact O-CB 3.48Å; G774-T777 PolarHBondContact O-N 3.11Å; T777-N779 PolarHBondContact O-N 3.24Å; T777-H780 PolarHBondContact O-N 3.44Å; T777-R781 PolarHBondContact O-N 2.98Å
778	D	75.9	Confident	71.1	Confident	86 Å²	86	112.6 Å²	112.6	46%	0.46	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-37.7	176.5	-74.1	-30.6	0	0	0	112.7	G774 H780 R781 L782	G774-D778 PolarHBondContact O-N 3.38Å; D778-H780 VanDerWaalsContact C-N 3.31Å; D778-H780 PolarHBondContact O-N 3.28Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-L782 WeakPolarHBondContact O-CG 3.32Å; D778-L782 PolarHBondContact O-N 3.14Å
779	N	69.5	Low	72.5	Confident	86 Å²	86	111.4 Å²	111.4	46%	0.46	55%	0.552	S	S	.	*	H	α-helix	trans	-65.3	-35.7	176.3	-149.2	-84.1	0	0	0	112	L775 Q776 T777 R783	L775-N779 PolarHBondContact O-N 3.5Å; Q776-N779 PolarHBondContact O-N 3.03Å; T777-N779 PolarHBondContact O-N 3.24Å; N779-R783 WeakPolarHBondContact O-CD 3.42Å; N779-R783 VanDerWaalsContact O-CG 3.32Å; N779-R783 WeakPolarHBondContact O-CG 3.4Å; N779-R783 PolarHBondContact O-N 3.37Å; N779-R783 PolarHBondContact OD1-NE 2.79Å
780	H	78.8	Confident	73.6	Confident	126 Å²	126	111.8 Å²	111.8	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-69.9	-42.6	174.9	-167.7	44.6	0	0	0	111.7	Q776 T777 D778 L782 R783 M784	Q776-H780 PolarHBondContact O-N 3.17Å; Q776-H780 VanDerWaalsContact O-N 3.11Å; T777-H780 PolarHBondContact O-N 3.44Å; D778-H780 VanDerWaalsContact C-N 3.31Å; D778-H780 PolarHBondContact O-N 3.28Å; H780-L782 PolarHBondContact O-N 3.49Å; H780-R783 PolarHBondContact O-N 3.34Å; H780-M784 PolarHBondContact O-N 3.32Å; H780-M784 VanDerWaalsContact O-N 3.14Å
781	R	80.3	Confident	75.1	Confident	161 Å²	161	115 Å²	115	61%	0.608	56%	0.555	S	S	*	*	H	α-helix	trans	-62.5	-38.9	177.4	-167.8	178.8	-172.7	-178	3.9	113.2	T777 D778 R785	T777-R781 PolarHBondContact O-N 2.98Å; D778-R781 PolarHBondContact O-N 3.4Å; R781-R785 PolarHBondContact O-N 3.37Å
782	L	79.9	Confident	76.2	Confident	103 Å²	103	111 Å²	111	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-37.1	175.5	-74	169	0	0	0	112.4	D778 H780 R785 I786	D778-L782 WeakPolarHBondContact O-CG 3.32Å; D778-L782 PolarHBondContact O-N 3.14Å; H780-L782 PolarHBondContact O-N 3.49Å; L782-R785 PolarHBondContact O-N 3.39Å; L782-I786 WeakPolarHBondContact O-CG1 3.48Å; L782-I786 PolarHBondContact O-N 2.79Å
783	R	78.2	Confident	77	Confident	163 Å²	163	111.3 Å²	111.3	62%	0.615	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-42.4	176	-74.2	167.3	179.2	-101.4	-1.2	112.4	N779 H780 R785 I786 T787	N779-R783 WeakPolarHBondContact O-CD 3.42Å; N779-R783 VanDerWaalsContact O-CG 3.32Å; N779-R783 WeakPolarHBondContact O-CG 3.4Å; N779-R783 PolarHBondContact O-N 3.37Å; N779-R783 PolarHBondContact OD1-NE 2.79Å; H780-R783 PolarHBondContact O-N 3.34Å; R783-R785 VanDerWaalsContact C-N 3.34Å; R783-R785 PolarHBondContact O-N 3.13Å; R783-I786 PolarHBondContact O-N 3.42Å; R783-T787 PolarHBondContact O-N 3.42Å; R783-T787 PolarHBondContact O-OG1 3.48Å
784	M	78.8	Confident	77.9	Confident	112 Å²	112	112.8 Å²	112.8	55%	0.552	55%	0.55	S	S	*	.	H	α-helix	trans	-59.7	-43.1	176.3	-70	-64.3	-66.3	0	0	112	H780 I786 T787 E788	H780-M784 PolarHBondContact O-N 3.32Å; H780-M784 VanDerWaalsContact O-N 3.14Å; M784-I786 PolarHBondContact O-N 3.17Å; M784-T787 WeakPolarHBondContact CA-OG1 3.47Å; M784-T787 PolarHBondContact O-N 3.25Å; M784-T787 PolarHBondContact O-OG1 3.46Å; M784-E788 WeakPolarHBondContact O-CB 3.49Å; M784-E788 PolarHBondContact O-N 2.97Å
785	R	80.6	Confident	78.3	Confident	146 Å²	146	116.4 Å²	116.4	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-62.8	-37	176	-87.4	-178.6	168.8	173	-6	113.8	R781 L782 R783 E788 L789	R781-R785 PolarHBondContact O-N 3.37Å; L782-R785 PolarHBondContact O-N 3.39Å; R783-R785 VanDerWaalsContact C-N 3.34Å; R783-R785 PolarHBondContact O-N 3.13Å; R785-E788 PolarHBondContact O-N 2.96Å; R785-L789 WeakPolarHBondContact O-CB 3.36Å; R785-L789 PolarHBondContact O-N 3.21Å
786	I	79.1	Confident	78.6	Confident	101 Å²	101	114.1 Å²	114.1	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-46.5	177	-67.9	164.1	0	0	0	109.9	L782 R783 M784 E788 L789 D790	L782-I786 WeakPolarHBondContact O-CG1 3.48Å; L782-I786 PolarHBondContact O-N 2.79Å; R783-I786 PolarHBondContact O-N 3.42Å; M784-I786 PolarHBondContact O-N 3.17Å; I786-E788 VanDerWaalsContact C-N 3.27Å; I786-E788 PolarHBondContact O-N 3.41Å; I786-L789 PolarHBondContact O-N 3.03Å; I786-D790 PolarHBondContact O-N 3.19Å
787	T	82.4	Confident	78.7	Confident	86 Å²	86	111.5 Å²	111.5	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-67.2	-23.6	176	41.2	0	0	0	0	114.7	R783 M784 K791	R783-T787 PolarHBondContact O-N 3.42Å; R783-T787 PolarHBondContact O-OG1 3.48Å; M784-T787 WeakPolarHBondContact CA-OG1 3.47Å; M784-T787 PolarHBondContact O-N 3.25Å; M784-T787 PolarHBondContact O-OG1 3.46Å; T787-K791 PolarHBondContact O-N 3.43Å
788	E	85	Confident	78.5	Confident	124 Å²	124	113.5 Å²	113.5	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-76.4	-45.6	175.3	-168.8	165.7	-139.4	0	0	110.6	M784 R785 I786 K791 E792	M784-E788 WeakPolarHBondContact O-CB 3.49Å; M784-E788 PolarHBondContact O-N 2.97Å; R785-E788 PolarHBondContact O-N 2.96Å; I786-E788 VanDerWaalsContact C-N 3.27Å; I786-E788 PolarHBondContact O-N 3.41Å; E788-K791 WeakPolarHBondContact O-CB 3.36Å; E788-K791 PolarHBondContact O-N 3.4Å; E788-E792 PolarHBondContact O-N 3.14Å
789	L	82.1	Confident	78.1	Confident	107 Å²	107	115.8 Å²	115.8	56%	0.56	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-39.1	173.9	-85	152.8	0	0	0	113.4	R785 I786 K791 E792 L793	R785-L789 WeakPolarHBondContact O-CB 3.36Å; R785-L789 PolarHBondContact O-N 3.21Å; I786-L789 PolarHBondContact O-N 3.03Å; L789-K791 VanDerWaalsContact C-N 3.25Å; L789-K791 PolarHBondContact O-N 2.94Å; L789-E792 PolarHBondContact O-N 3.33Å; L789-L793 WeakPolarHBondContact O-CB 3.49Å; L789-L793 PolarHBondContact O-N 3.41Å
790	D	77.8	Confident	77.7	Confident	95 Å²	95	118.2 Å²	118.2	51%	0.508	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-36.5	174.3	-77	-24.5	0	0	0	111	I786 L793 E794	I786-D790 PolarHBondContact O-N 3.19Å; D790-L793 PolarHBondContact O-N 3.02Å; D790-E794 WeakPolarHBondContact O-CB 3.5Å; D790-E794 PolarHBondContact O-N 3.33Å
791	K	84.2	Confident	76.7	Confident	141 Å²	141	120.3 Å²	120.3	61%	0.613	58%	0.576	S	S	*	*	H	α-helix	trans	-72.8	-41.8	178	-169.8	-172.5	174.4	-163.1	0	112.6	T787 E788 L789 L793 E794 E795	T787-K791 PolarHBondContact O-N 3.43Å; E788-K791 WeakPolarHBondContact O-CB 3.36Å; E788-K791 PolarHBondContact O-N 3.4Å; L789-K791 VanDerWaalsContact C-N 3.25Å; L789-K791 PolarHBondContact O-N 2.94Å; K791-L793 VanDerWaalsContact C-N 3.27Å; K791-L793 PolarHBondContact O-N 3.33Å; K791-E794 PolarHBondContact O-N 2.98Å; K791-E795 WeakPolarHBondContact O-CB 3.46Å; K791-E795 PolarHBondContact O-N 3.45Å
792	E	81.6	Confident	75.4	Confident	116 Å²	116	119.6 Å²	119.6	54%	0.542	58%	0.584	S	S	.	*	H	α-helix	trans	-60.5	-39	172.4	-72.8	-177.3	162.6	0	0	111.3	E788 L789 E795 V796	E788-E792 PolarHBondContact O-N 3.14Å; L789-E792 PolarHBondContact O-N 3.33Å; E792-E795 PolarHBondContact O-N 2.92Å; E792-V796 WeakPolarHBondContact O-CG2 3.46Å; E792-V796 PolarHBondContact O-N 3.18Å
793	L	77	Confident	73.9	Confident	112 Å²	112	120.5 Å²	120.5	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-65	-43.4	176.8	-168.9	70.5	0	0	0	111.7	L789 D790 K791 V796 T797	L789-L793 WeakPolarHBondContact O-CB 3.49Å; L789-L793 PolarHBondContact O-N 3.41Å; D790-L793 PolarHBondContact O-N 3.02Å; K791-L793 VanDerWaalsContact C-N 3.27Å; K791-L793 PolarHBondContact O-N 3.33Å; L793-V796 PolarHBondContact O-N 3.45Å; L793-T797 WeakPolarHBondContact O-CG2 3.48Å; L793-T797 PolarHBondContact O-N 3.37Å; L793-T797 PolarHBondContact O-OG1 3.37Å
794	E	78.8	Confident	72.2	Confident	131 Å²	131	118.4 Å²	118.4	61%	0.612	60%	0.602	S	S	*	*	H	α-helix	trans	-62.9	-43.5	177.3	-163.3	165.5	-145.6	0	0	111.3	D790 K791 T797 M798	D790-E794 WeakPolarHBondContact O-CB 3.5Å; D790-E794 PolarHBondContact O-N 3.33Å; K791-E794 PolarHBondContact O-N 2.98Å; E794-T797 WeakPolarHBondContact CA-OG1 3.33Å; E794-T797 PolarHBondContact O-N 3.34Å; E794-T797 PolarHBondContact O-OG1 3.09Å; E794-M798 PolarHBondContact O-N 3.31Å
795	E	80.8	Confident	70.3	Confident	110 Å²	110	121.3 Å²	121.3	51%	0.514	61%	0.614	S	S	.	*	H	α-helix	trans	-62.8	-42.4	175.9	-172	166.9	-174	0	0	112.6	K791 E792 M798 Q799	K791-E795 WeakPolarHBondContact O-CB 3.46Å; K791-E795 PolarHBondContact O-N 3.45Å; E792-E795 PolarHBondContact O-N 2.92Å; E795-M798 PolarHBondContact O-N 3.34Å; E795-Q799 WeakPolarHBondContact O-CG 3.41Å; E795-Q799 PolarHBondContact O-N 3Å; E795-Q799 VanDerWaalsContact O-N 3.09Å
796	V	75.2	Confident	68	Low	75 Å²	75	123.7 Å²	123.7	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-66	-38.2	174.2	170	0	0	0	0	111.8	E792 L793 Q799 L800	E792-V796 WeakPolarHBondContact O-CG2 3.46Å; E792-V796 PolarHBondContact O-N 3.18Å; L793-V796 PolarHBondContact O-N 3.45Å; V796-Q799 PolarHBondContact O-N 3Å; V796-L800 HydrophobicContact CG1-CD1 4.05Å; V796-L800 PolarHBondContact O-N 2.99Å
797	T	72.7	Confident	65.9	Low	69 Å²	69	124.9 Å²	124.9	42%	0.423	64%	0.64	S	S	.	*	H	α-helix	trans	-67.7	-34.7	175.6	50.8	0	0	0	0	113.1	L793 E794 L800	L793-T797 WeakPolarHBondContact O-CG2 3.48Å; L793-T797 PolarHBondContact O-N 3.37Å; L793-T797 PolarHBondContact O-OG1 3.37Å; E794-T797 WeakPolarHBondContact CA-OG1 3.33Å; E794-T797 PolarHBondContact O-N 3.34Å; E794-T797 PolarHBondContact O-OG1 3.09Å; T797-L800 PolarHBondContact O-N 2.98Å
798	M	69.3	Low	63.9	Low	133 Å²	133	126.4 Å²	126.4	66%	0.655	65%	0.652	S	S	*	*	H	α-helix	trans	-65.9	-40.5	172.9	-74.8	-177.9	61.3	0	0	112.1	E794 E795 L800 Q801	E794-M798 PolarHBondContact O-N 3.31Å; E795-M798 PolarHBondContact O-N 3.34Å; M798-L800 VanDerWaalsContact C-N 3.26Å; M798-L800 PolarHBondContact O-N 3.3Å; M798-Q801 PolarHBondContact O-N 3.43Å
799	Q	67.7	Low	61.1	Low	135 Å²	135	130.6 Å²	130.6	63%	0.631	66%	0.664	S	S	*	*	H	α-helix	trans	-65.2	-27.6	177.1	-70.7	177.5	18.3	0	0	113.4	E795 V796	E795-Q799 WeakPolarHBondContact O-CG 3.41Å; E795-Q799 PolarHBondContact O-N 3Å; E795-Q799 VanDerWaalsContact O-N 3.09Å; V796-Q799 PolarHBondContact O-N 3Å
800	L	60.9	Low	58.5	Low	136 Å²	136	132.3 Å²	132.3	71%	0.712	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-8.9	179.3	-77.4	164.7	0	0	0	114.5	V796 T797 M798	V796-L800 HydrophobicContact CG1-CD1 4.05Å; V796-L800 PolarHBondContact O-N 2.99Å; T797-L800 PolarHBondContact O-N 2.98Å; M798-L800 VanDerWaalsContact C-N 3.26Å; M798-L800 PolarHBondContact O-N 3.3Å
801	Q	57.7	Low	56.1	Low	170 Å²	170	136 Å²	136	79%	0.794	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-10.9	-177.9	-101.3	174.9	-25.4	0	0	115	M798	M798-Q801 PolarHBondContact O-N 3.43Å
802	D	53.5	Low	53.3	Low	146 Å²	146	136.7 Å²	136.7	78%	0.781	69%	0.689	S	S	*	*	S	Bend	trans	-112	24.1	-164.2	-138.3	16.2	0	0	0	114.7
803	T	49	Very low	50.6	Low	123 Å²	123	137.3 Å²	137.3	76%	0.755	70%	0.696	S	S	*	*			trans	-121.3	114.2	172.6	26.9	0	0	0	0	112.7
804	P	42.8	Very low	48.2	Very low	119 Å²	119	140.6 Å²	140.6	77%	0.773	71%	0.708	S	S	*	*			trans	-91.2	148.1	-172.7	34.3	-35.3	0	0	0	115.1
805	E	38.8	Very low	45.7	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	72%	0.718	S	S	*	*			trans	15	132.2	157.7	-57.7	-173	139.4	0	0	121.4
806	K	31.4	Very low	44	Very low	196 Å²	196	143.7 Å²	143.7	85%	0.852	72%	0.724	S	S	*	*				-175.8	131.8	106.8	-96.3	150.7	-169.3	169.5	0	115.1
807	T	35.6	Very low	41.7	Very low	126 Å²	126	147.9 Å²	147.9	77%	0.773	74%	0.743	S	S	*	*			trans	-62.1	153.1	158.9	49	0	0	0	0	111.4
808	P	39.3	Very low	39.5	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	75%	0.753	S	S	*	*				-154.6	156.8	66.6	40.2	-18.7	0	0	0	120.3
809	Y	27.1	Very low	37.5	Very low	213 Å²	213	148.7 Å²	148.7	84%	0.835	76%	0.758	S	S	*	*			trans	12.4	139.7	138.3	-84.5	-77.9	0	0	0	123.6
810	I	27.9	Very low	35.5	Very low	142 Å²	142	149.7 Å²	149.7	73%	0.728	77%	0.768	S	S	*	*			trans	113.5	134.8	134.6	-77.1	156.2	0	0	0	120.8
811	K	26.2	Very low	33.9	Very low	174 Å²	174	150.7 Å²	150.7	76%	0.757	77%	0.772	S	S	*	*			trans	87.5	100.3	155.9	-92.1	160.2	-172.7	-178.8	0	122.2
812	Q	26.3	Very low	32.5	Very low	154 Å²	154	150 Å²	150	72%	0.72	77%	0.773	S	S	*	*				52.7	132.2	108.1	-92.8	178.2	-46.2	0	0	122.5
813	N	25.1	Very low	31.3	Very low	130 Å²	130	147.6 Å²	147.6	70%	0.695	77%	0.768	S	S	*	*			trans	106.9	121.3	136.4	-66.6	-12.8	0	0	0	120.4
814	H	25.5	Very low	30.2	Very low	180 Å²	180	148.9 Å²	148.9	83%	0.833	77%	0.769	S	S	*	*			trans	74.2	117.9	142.9	-101.3	57.7	0	0	0	122.2
815	Y	26.8	Very low	29.4	Very low	210 Å²	210	153.6 Å²	153.6	82%	0.824	77%	0.771	S	S	*	*			trans	-9.6	162.7	133.6	-95.6	-126.1	0	0	0	118.6
816	P	44.6	Very low	28.7	Very low	97 Å²	97	151.5 Å²	151.5	63%	0.63	77%	0.766	S	S	*	*			cis	-133.5	-172.9	-18.8	33.6	-13.3	0	0	0	112.6
817	D	26.8	Very low	28.4	Very low	162 Å²	162	151.9 Å²	151.9	87%	0.866	77%	0.767	S	S	*	*				-165.7	154.5	111.7	-109.8	-23.1	0	0	0	113.4
818	A	26.5	Very low	28.3	Very low	75 Å²	75	151.9 Å²	151.9	62%	0.62	77%	0.768	S	S	*	*			trans	-124.1	157.7	-172.3	0	0	0	0	0	112.3
819	N	28.8	Very low	27.7	Very low	144 Å²	144	154 Å²	154	77%	0.77	77%	0.772	S	S	*	*			trans	59.6	114	157.2	-59.6	-21.9	0	0	0	118.2
820	N	25.8	Very low	27.8	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	76%	0.761	S	S	*	*				-174.6	149.6	112.5	-82.4	-40.1	0	0	0	105.4
821	I	27.3	Very low	27.8	Very low	158 Å²	158	148.5 Å²	148.5	81%	0.81	76%	0.764	S	S	*	*			cis	-149.2	153.7	38.6	-79.6	-179.3	0	0	0	110.4
822	L	28.2	Very low	27.9	Very low	154 Å²	154	147.3 Å²	147.3	81%	0.806	77%	0.766	S	S	*	*			trans	-57.8	165.4	169	-98.9	68	0	0	0	114.9
823	S	27.1	Very low	28	Very low	97 Å²	97	143 Å²	143	68%	0.678	76%	0.763	S	S	*	*			trans	113.8	120.5	134.1	80.5	0	0	0	0	120.3
824	I	26.8	Very low	28.2	Very low	150 Å²	150	144.6 Å²	144.6	77%	0.769	77%	0.766	S	S	*	*				70.1	103.8	124.7	-62.7	174.5	0	0	0	119.4
825	R	26.5	Very low	28.3	Very low	217 Å²	217	143.6 Å²	143.6	82%	0.819	76%	0.759	S	S	*	*				45.6	135.9	127.7	-77.1	177.4	170.2	152.8	-3.4	121.8
826	N	23.2	Very low	28.5	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	75%	0.748	S	S	*	*			trans	65	117.4	141.9	-59.1	5.7	0	0	0	118.3
827	F	24.9	Very low	27.9	Very low	203 Å²	203	140.3 Å²	140.3	89%	0.89	76%	0.756	S	S	*	*				-164.6	149.4	91.4	-121.3	-93.4	0	0	0	111.9
828	T	33.3	Very low	28.1	Very low	127 Å²	127	139 Å²	139	78%	0.779	75%	0.748	S	S	*	*			trans	-113.8	140.1	171.2	46.6	0	0	0	0	109.4
829	D	28.1	Very low	28.2	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	75%	0.753	S	S	*	*			trans	-153.6	136.1	153.4	-148.8	19.5	0	0	0	109.1
830	G	27.2	Very low	28.2	Very low	59 Å²	59	142.8 Å²	142.8	61%	0.608	75%	0.75	S	S	*	*			cis	-170.8	174	1	0	0	0	0	0	116.6
831	K	28.7	Very low	28.4	Very low	182 Å²	182	143.5 Å²	143.5	79%	0.791	75%	0.748	S	S	*	*			trans	65.5	141.9	158.2	-59.3	-168.8	169.7	-173.1	0	119.2
832	D	28.4	Very low	28.5	Very low	149 Å²	149	142 Å²	142	80%	0.797	74%	0.741	S	S	*	*			cis	-164.3	157.3	-16.2	-88.6	-35.5	0	0	0	105.9
833	G	28.1	Very low	28.6	Very low	63 Å²	63	142.4 Å²	142.4	65%	0.649	74%	0.739	S	S	*	*			cis	171.1	152.1	-5.2	0	0	0	0	0	110.6
834	E	28.9	Very low	28.5	Very low	164 Å²	164	146.9 Å²	146.9	77%	0.766	75%	0.749	S	S	*	*			trans	66.1	147.3	178	-54.7	-154.7	142.6	0	0	117.1
835	K	29.1	Very low	28.4	Very low	158 Å²	158	148.7 Å²	148.7	69%	0.687	75%	0.751	S	S	*	*			cis	-168.8	164.2	-5.7	-104.2	164.3	-173.9	151.3	0	106.4
836	S	30.2	Very low	29	Very low	85 Å²	85	144.2 Å²	144.2	59%	0.594	75%	0.75	S	S	*	*			cis	177	159.4	-24.2	56.5	0	0	0	0	110.2
837	I	32.7	Very low	29.1	Very low	153 Å²	153	146.9 Å²	146.9	79%	0.785	76%	0.759	S	S	*	*			trans	73.4	133.7	153.5	-70	163.7	0	0	0	116.5
838	L	29.6	Very low	29.2	Very low	134 Å²	134	142.2 Å²	142.2	70%	0.702	76%	0.757	S	S	*	*			cis	-167	159.4	3.4	-153	67.4	0	0	0	115.3
839	K	28.8	Very low	28.8	Very low	168 Å²	168	144.7 Å²	144.7	73%	0.73	76%	0.76	S	S	*	*			trans	79.2	101.8	140.8	-104.8	176.9	-165.3	179.1	0	125.9
840	N	29.7	Very low	28.7	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	77%	0.765	S	S	*	*				26.9	136.1	120.3	-54	4.3	0	0	0	124.7
841	H	29.5	Very low	28.5	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.787	77%	0.769	S	S	*	*				162.6	166.9	109.5	-91.1	-81.4	0	0	0	110.1
842	L	30.3	Very low	28.3	Very low	126 Å²	126	145.8 Å²	145.8	66%	0.66	77%	0.766	S	S	*	*				173.3	122.1	-53.1	-132.3	168	0	0	0	106.5
843	E	29.2	Very low	28.1	Very low	164 Å²	164	147.8 Å²	147.8	77%	0.766	77%	0.772	S	S	*	*			trans	45.6	140.6	156.7	-80.3	171.7	-168.2	0	0	125.1
844	Q	25.9	Very low	27.9	Very low	190 Å²	190	151.5 Å²	151.5	89%	0.888	78%	0.777	S	S	*	*				179.7	167.1	102.8	-93.9	-172.9	-1.3	0	0	115.1
845	K	25.4	Very low	28.3	Very low	188 Å²	188	149 Å²	149	82%	0.817	78%	0.776	S	S	*	*			trans	-124.1	164.6	-178.1	-130.9	179.8	-172.2	178.8	0	108.7
846	P	37.2	Very low	28.1	Very low	124 Å²	124	147.1 Å²	147.1	81%	0.805	78%	0.782	S	S	*	*				-157.9	-143.3	86.7	42.1	-18.7	0	0	0	116.3
847	Q	25.3	Very low	27.9	Very low	185 Å²	185	154.7 Å²	154.7	86%	0.864	80%	0.798	S	S	*	*			trans	-124.3	176.6	-148.2	-54.4	163.9	-94.1	0	0	117.1
848	A	27.3	Very low	27.7	Very low	104 Å²	104	154.6 Å²	154.6	86%	0.86	80%	0.798	S	S	*	*			trans	105.8	166	136.5	0	0	0	0	0	120.3
849	Q	25	Very low	27.4	Very low	179 Å²	179	154.1 Å²	154.1	84%	0.836	81%	0.805	S	S	*	*			trans	-145.9	154.2	-141.1	176.6	-172.3	5.9	0	0	113.2
850	W	25.7	Very low	27.3	Very low	255 Å²	255	157.2 Å²	157.2	97%	0.966	81%	0.812	S	S	*	*			trans	176.5	163.2	141.2	-101.5	39.6	0	0	0	107.2
851	G	23.6	Very low	27	Very low	67 Å²	67	154.3 Å²	154.3	69%	0.691	81%	0.813	S	S	*	*			cis	154	153	-5.2	0	0	0	0	0	110.3
852	S	24.7	Very low	27.1	Very low	103 Å²	103	152.8 Å²	152.8	72%	0.72	82%	0.818	S	S	*	*			cis	-175.7	129.8	-14.7	-169.1	0	0	0	0	110.1
853	M	24.3	Very low	27.1	Very low	191 Å²	191	153.8 Å²	153.8	94%	0.941	82%	0.824	S	S	*	*			trans	-157.4	114.4	159	-141.3	99	103.8	0	0	115.1
854	D	23	Very low	27	Very low	141 Å²	141	153.9 Å²	153.9	75%	0.754	82%	0.824	S	S	*	*			trans	-92.4	-167.1	172.5	-82.7	-59.3	0	0	0	110.4
855	P	37.6	Very low	27	Very low	112 Å²	112	151.8 Å²	151.8	73%	0.727	82%	0.819	S	S	*	*			cis	-141.2	166.1	3.7	40.8	-22	0	0	0	119
856	S	26	Very low	27.4	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	82%	0.818	S	S	*	*				135	158.5	127.4	69.2	0	0	0	0	115.1
857	R	26.1	Very low	27.1	Very low	244 Å²	244	150.3 Å²	150.3	92%	0.921	81%	0.812	S	S	*	*				-154.8	146.1	-53.6	-157.3	-179.4	-162.1	-173.3	6.5	107.2
858	I	27.2	Very low	27.3	Very low	151 Å²	151	146.8 Å²	146.8	77%	0.774	81%	0.807	S	S	*	*			trans	-81.8	145.2	-170.3	-65.5	158.8	0	0	0	112.6	R860	I858-R860 HydrophobicContact CG2-CG 4Å
859	S	24.5	Very low	27.5	Very low	123 Å²	123	147.6 Å²	147.6	86%	0.86	80%	0.804	S	S	*	*			trans	-118.5	144.6	147.3	-170.5	0	0	0	0	109.6
860	R	26.2	Very low	27.9	Very low	234 Å²	234	148 Å²	148	88%	0.883	81%	0.806	S	S	*	*			trans	-104.5	145.7	-168.6	-71.3	176.8	169.5	172.8	-5.5	112.5	I858	I858-R860 HydrophobicContact CG2-CG 4Å
861	G	23	Very low	28.5	Very low	70 Å²	70	145 Å²	145	72%	0.722	80%	0.802	S	S	*	*			trans	-138.3	148	156.1	0	0	0	0	0	108.4
862	P	31.1	Very low	29	Very low	138 Å²	138	148.8 Å²	148.8	90%	0.896	81%	0.805	S	S	*	*			trans	-98.5	171	-141.6	36.8	-37.2	0	0	0	117.6
863	L	30.3	Very low	29.2	Very low	147 Å²	147	152.1 Å²	152.1	77%	0.77	81%	0.809	S	S	*	*			trans	-79.8	170.1	172.9	-98.6	119.8	0	0	0	113.3
864	E	27.3	Very low	29.5	Very low	166 Å²	166	154.3 Å²	154.3	78%	0.776	81%	0.807	S	S	*	*			trans	70.1	130.6	162	-73.2	155.9	-156.6	0	0	114.8
865	D	26.8	Very low	29.9	Very low	147 Å²	147	159.1 Å²	159.1	79%	0.786	82%	0.815	S	S	*	*				-147.7	139.7	61.4	-135.9	-27.7	0	0	0	115.3	N867	D865-N867 PolarHBondContact O-N 3.48Å
866	I	33.7	Very low	29.4	Very low	154 Å²	154	161.2 Å²	161.2	79%	0.79	82%	0.819	S	S	*	*			trans	-94.8	73.9	170.8	-59.9	168.4	0	0	0	107
867	N	30.1	Very low	29.4	Very low	127 Å²	127	160.9 Å²	160.9	68%	0.679	82%	0.817	S	S	*	*			trans	175.2	101.4	152.7	-90.1	-38.4	0	0	0	112.6	D865	D865-N867 PolarHBondContact O-N 3.48Å
868	S	28.8	Very low	29.5	Very low	110 Å²	110	155.7 Å²	155.7	77%	0.769	81%	0.807	S	S	*	*			trans	-152.6	153.9	154.3	-104.4	0	0	0	0	110.9	E870	S868-E870 PolarHBondContact O-N 3.21Å
869	P	33	Very low	29.4	Very low	122 Å²	122	156.9 Å²	156.9	79%	0.792	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn		-108	61.9	-122.3	39.1	-36.8	0	0	0	114.6
870	E	33.3	Very low	29.8	Very low	186 Å²	186	158.7 Å²	158.7	87%	0.869	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-11.9	167.7	-66.6	-166.6	157.6	0	0	113.9	S868	S868-E870 PolarHBondContact O-N 3.21Å
871	H	37.6	Very low	30.2	Very low	192 Å²	192	152.6 Å²	152.6	89%	0.889	80%	0.799	S	S	*	*	S	Bend	trans	-95	7.3	-178	-102.1	-65	0	0	0	116
872	I	33.6	Very low	30.4	Very low	147 Å²	147	156.2 Å²	156.2	75%	0.754	80%	0.8	S	S	*	*	S	Bend	trans	-114.5	50.5	175.6	-45.6	-178.3	0	0	0	111.2
873	Q	30.2	Very low	30.1	Very low	174 Å²	174	156.4 Å²	156.4	81%	0.813	79%	0.793	S	S	*	*	S	Bend	trans	-153.4	77.6	159.2	-146.9	174.3	15.8	0	0	114.6
874	R	30.2	Very low	29.8	Very low	237 Å²	237	155.9 Å²	155.9	89%	0.894	79%	0.786	S	S	*	*	S	Bend	trans	164.8	91.3	137.6	-91.1	162.1	177.8	-170.8	0.5	112.5
875	R	30.8	Very low	29.8	Very low	242 Å²	242	156 Å²	156	91%	0.913	79%	0.786	S	S	*	*			trans	158.7	107.5	158.7	-90.9	163.4	-147.2	-97.6	8.1	104
876	L	27.6	Very low	29.8	Very low	155 Å²	155	152.4 Å²	152.4	81%	0.812	78%	0.777	S	S	*	*				-151.7	179	57.7	-127.8	97.5	0	0	0	113.1
877	S	25.9	Very low	29.6	Very low	113 Å²	113	156.3 Å²	156.3	79%	0.79	78%	0.784	S	S	*	*			trans	85.9	150.9	172.7	78.4	0	0	0	0	116.5
878	L	27.6	Very low	29.5	Very low	135 Å²	135	158.1 Å²	158.1	71%	0.707	79%	0.792	S	S	*	*			cis	177.6	139.2	-41.7	-118.3	151.3	0	0	0	104.5
879	Q	26.5	Very low	30.6	Very low	175 Å²	175	157.9 Å²	157.9	82%	0.818	79%	0.788	S	S	*	*			trans	58	124.6	162	-83	164.7	-76.4	0	0	122.1
880	L	31.3	Very low	30.3	Very low	161 Å²	161	157 Å²	157	84%	0.843	79%	0.785	S	S	*	*			trans	-45.6	165.3	151.3	-88.7	115.3	0	0	0	113.7
881	P	35.6	Very low	30.1	Very low	107 Å²	107	155.9 Å²	155.9	70%	0.695	78%	0.783	S	S	*	*				-163.9	-172.9	57.7	44.2	-19.7	0	0	0	121.5
882	I	26.9	Very low	29.6	Very low	145 Å²	145	150.6 Å²	150.6	74%	0.744	78%	0.78	S	S	*	*			trans	79	106.6	159.4	-54.7	-179.3	0	0	0	117.4
883	L	24.6	Very low	29.2	Very low	142 Å²	142	147 Å²	147	74%	0.743	78%	0.779	S	S	*	*				72.3	118.8	88.2	-142.9	70.4	0	0	0	113.1
884	H	25.3	Very low	29.1	Very low	137 Å²	137	145.5 Å²	145.5	63%	0.634	78%	0.782	S	S	*	*				-173.6	155.8	73.3	-114.3	-86.9	0	0	0	113.3
885	H	27.1	Very low	29.1	Very low	168 Å²	168	141.3 Å²	141.3	78%	0.778	78%	0.777	S	S	*	*			trans	60.3	147.9	155.2	-67.6	-53	0	0	0	120.7
886	A	26.3	Very low	28.9	Very low	72 Å²	72	133.8 Å²	133.8	60%	0.595	77%	0.767	S	S	*	*			cis	-165.7	172.5	-16.5	0	0	0	0	0	111.7
887	Y	29.1	Very low	28.7	Very low	236 Å²	236	131.5 Å²	131.5	93%	0.925	76%	0.764	S	S	*	*			trans	87.1	140.6	163.4	-76.1	-80	0	0	0	121.8
888	L	28.2	Very low	28.7	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	77%	0.765	S	S	*	*			trans	-106.6	177.4	-174.2	-98.4	161.8	0	0	0	109.4
889	P	51.4	Low	28.7	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	78%	0.775	S	S	*	*			trans	-101.8	-179.7	-150	41.9	-38.9	0	0	0	113.5
890	S	27.4	Very low	28.8	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	77%	0.773	S	S	*	*			trans	-174.1	135.2	142.4	-86.9	0	0	0	0	115.3
891	I	28.4	Very low	29.1	Very low	163 Å²	163	127.8 Å²	127.8	84%	0.836	77%	0.771	S	S	*	*			trans	60.8	107.1	134	-55.1	166.9	0	0	0	119.7
892	G	27.3	Very low	28.7	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	78%	0.779	S	S	*	*				83.6	140.5	112.2	0	0	0	0	0	121.3
893	G	26.6	Very low	28.7	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	78%	0.784	S	S	*	*			trans	125.3	100.6	144.2	0	0	0	0	0	119.1
894	V	28.1	Very low	28.7	Very low	143 Å²	143	125.4 Å²	125.4	87%	0.867	78%	0.783	S	S	*	*			trans	53.3	155.6	136	-125.9	0	0	0	0	122.6
895	D	28.5	Very low	29.8	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	79%	0.793	S	S	*	*			trans	-60.2	152.5	-174.2	-48.6	-76.4	0	0	0	116.6
896	A	26.7	Very low	29.7	Very low	84 Å²	84	120.5 Å²	120.5	69%	0.694	79%	0.791	S	S	*	*				166.8	148.6	104.5	0	0	0	0	0	115.3
897	S	24.8	Very low	29.8	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	80%	0.801	S	S	*	*			trans	54.5	115.7	145.9	54.9	0	0	0	0	122.7
898	C	26	Very low	29.8	Very low	120 Å²	120	116.9 Å²	116.9	81%	0.811	80%	0.796	S	S	*	*			trans	22.4	126.2	130.8	-52.6	0	0	0	0	121.1
899	T	26.5	Very low	30.4	Very low	150 Å²	150	113.7 Å²	113.7	92%	0.92	79%	0.785	S	S	*	*				-174.4	147.4	114.7	19	0	0	0	0	112.8
900	S	29.8	Very low	29.3	Very low	112 Å²	112	119 Å²	119	78%	0.783	79%	0.791	S	S	*	*			trans	-96	163.1	165.1	-54.3	0	0	0	0	110.6
901	P	36.3	Very low	29.3	Very low	123 Å²	123	121.9 Å²	121.9	80%	0.799	79%	0.793	S	S	*	*				-136.4	131.8	115.7	33.8	-21.8	0	0	0	112.2
902	N	26.6	Very low	29.2	Very low	160 Å²	160	124.3 Å²	124.3	86%	0.856	79%	0.792	S	S	*	*				71.9	119.2	73.4	-111.2	9.5	0	0	0	115.3
903	G	26.7	Very low	29.1	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	79%	0.791	S	S	*	*			trans	-172.7	72.1	-178.5	0	0	0	0	0	112.3
904	S	26.2	Very low	29.1	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	80%	0.797	S	S	*	*			trans	-106.2	177.5	176.2	57.1	0	0	0	0	110
905	P	47.7	Very low	30.1	Very low	130 Å²	130	132.1 Å²	132.1	84%	0.844	79%	0.789	S	S	*	*			cis	-144.9	177.8	19.3	42.2	-21.4	0	0	0	118.5
906	G	25.3	Very low	30.4	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	79%	0.786	S	S	*	*			trans	-171.3	62.4	175	0	0	0	0	0	114.8
907	S	27.5	Very low	30.3	Very low	116 Å²	116	131 Å²	131	81%	0.811	79%	0.786	S	S	*	*			trans	27.5	100.3	160.3	56.3	0	0	0	0	122
908	S	29	Very low	30.5	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	79%	0.792	S	S	*	*				28.1	164.3	116.7	-107.4	0	0	0	0	123.1
909	P	41	Very low	30.3	Very low	97 Å²	97	142.7 Å²	142.7	63%	0.63	80%	0.798	S	S	*	*			cis	-141.6	156.6	1.4	29.5	-6.1	0	0	0	119.1
910	R	27.8	Very low	30.4	Very low	216 Å²	216	141.7 Å²	141.7	82%	0.815	79%	0.791	S	S	*	*			trans	68.8	145.4	141.8	-71.1	167.8	-168.5	-176.7	2.4	119.7
911	H	28.4	Very low	30	Very low	165 Å²	165	145.8 Å²	145.8	76%	0.764	80%	0.795	S	S	*	*			cis	-139.6	151.4	1.3	-110.8	-70.3	0	0	0	111.5
912	R	25.3	Very low	29.5	Very low	214 Å²	214	147.3 Å²	147.3	81%	0.808	80%	0.796	S	S	*	*			trans	-82	157	172.8	-69.6	173.9	168.8	167.4	-5.5	111.6
913	H	26.6	Very low	29.7	Very low	175 Å²	175	145.7 Å²	145.7	81%	0.81	79%	0.794	S	S	*	*				177.9	151.6	101.8	-97.1	-74.9	0	0	0	114.4
914	M	25.3	Very low	29.5	Very low	172 Å²	172	146.7 Å²	146.7	85%	0.847	79%	0.789	S	S	*	*			trans	-153.4	172.9	168.1	-149.1	-169.1	-161.8	0	0	107.2
915	P	50.3	Low	29.5	Very low	110 Å²	110	149.7 Å²	149.7	71%	0.714	79%	0.791	S	S	*	*				-93.2	-172.8	-88.5	41.4	-30.7	0	0	0	112.5
916	P	34.9	Very low	28.4	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	79%	0.785	S	S	*	*				-160	164.1	88	43.1	-22.5	0	0	0	119.5
917	S	24.5	Very low	28.4	Very low	99 Å²	99	155.4 Å²	155.4	69%	0.692	79%	0.785	S	S	*	*			trans	37.8	127.2	143	66.8	0	0	0	0	125.7
918	Y	28.3	Very low	28.2	Very low	224 Å²	224	156 Å²	156	88%	0.878	78%	0.779	S	S	*	*			trans	49	116.9	137.3	-79	-85.9	0	0	0	122.3
919	R	22.9	Very low	28	Very low	247 Å²	247	158.2 Å²	158.2	93%	0.932	78%	0.777	S	S	*	*				-163.3	145.4	124.1	-110.5	178.8	-164	-156.7	4.3	113
920	V	27.4	Very low	27.2	Very low	129 Å²	129	159 Å²	159	78%	0.782	78%	0.784	S	S	*	*			trans	-85.6	137.1	169.2	170.7	0	0	0	0	109.3
921	F	20.9	Very low	27.1	Very low	198 Å²	198	156.6 Å²	156.6	87%	0.868	79%	0.788	S	S	*	*			trans	-168	136.6	147.3	-110.6	-74.7	0	0	0	111.3
922	L	27.5	Very low	27	Very low	155 Å²	155	153.4 Å²	153.4	81%	0.812	79%	0.79	S	S	*	*			trans	-74.2	150.6	158.7	-79.4	156.8	0	0	0	108.9
923	P	29.8	Very low	27	Very low	126 Å²	126	148.5 Å²	148.5	82%	0.818	79%	0.788	S	S	*	*				-150.7	-165.3	96.1	40	-20.5	0	0	0	115.6
924	S	22.9	Very low	27.1	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	79%	0.788	S	S	*	*			trans	-92.4	150.4	-163.7	51	0	0	0	0	117.9
925	Q	25.3	Very low	27.1	Very low	165 Å²	165	146.7 Å²	146.7	77%	0.771	78%	0.782	S	S	*	*			trans	45	154.9	139.6	-72.6	-161.9	-41.3	0	0	124.5
926	F	24.9	Very low	25.9	Very low	164 Å²	164	149.4 Å²	149.4	72%	0.719	79%	0.789	S	S	*	*			trans	78	139.3	171.5	-68.8	-80.3	0	0	0	115.5
927	E	25.3	Very low	25.3	Very low	159 Å²	159	153 Å²	153	74%	0.743	79%	0.794	S	S	*	*			cis	-154.8	-161.2	6.7	-154.7	141.4	-154.3	0	0	112.2
928	D	24.3	Very low	25.3	Very low	128 Å²	128	154.5 Å²	154.5	68%	0.684	80%	0.799	S	S	*	*			trans	77	137.4	167.6	-74	-17.1	0	0	0	119.4
929	Q	23.8	Very low	25.1	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	79%	0.79	S	S	*	*			cis	-168.2	142.9	-13.9	-135.4	166.4	43.7	0	0	109.6
930	S	24.5	Very low	25.1	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	78%	0.784	S	S	*	*			trans	-165.1	141.4	153	63.8	0	0	0	0	112.5
931	D	25.6	Very low	24.9	Very low	166 Å²	166	146.7 Å²	146.7	89%	0.888	78%	0.783	S	S	*	*			trans	-72.4	169	-158.3	-63.2	-68.9	0	0	0	118.7
932	A	26.5	Very low	25.1	Very low	97 Å²	97	143.6 Å²	143.6	80%	0.802	78%	0.78	S	S	*	*			trans	-129.3	145.4	175.6	0	0	0	0	0	112.9
933	S	26.2	Very low	24.9	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	77%	0.774	S	S	*	*			trans	177.8	149.8	162	43.6	0	0	0	0	107.1
934	E	28.1	Very low	24.6	Very low	173 Å²	173	143.2 Å²	143.2	81%	0.808	78%	0.778	S	S	*	*			cis	-142.6	152.1	-21.7	-90.5	161	148.9	0	0	102.6
935	D	25.7	Very low	24.7	Very low	136 Å²	136	144.1 Å²	144.1	73%	0.727	78%	0.784	S	S	*	*				178.7	138.3	65.9	-116.4	-34.9	0	0	0	108.1
936	I	23.6	Very low	24.6	Very low	168 Å²	168	139.1 Å²	139.1	86%	0.862	78%	0.777	S	S	*	*			trans	-141.8	127.9	153.3	-63.6	-175.3	0	0	0	107.8
937	F	22.9	Very low	24.7	Very low	187 Å²	187	140 Å²	140	82%	0.82	78%	0.783	S	S	*	*			trans	-117.3	155.1	176.2	-132	-84	0	0	0	112.1
938	V	25.2	Very low	24.8	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	79%	0.788	S	S	*	*			trans	82.8	141.8	172.7	-166	0	0	0	0	116.1
939	C	23.1	Very low	24.8	Very low	103 Å²	103	147.3 Å²	147.3	70%	0.696	80%	0.8	S	S	*	*			trans	-149.2	173.3	-160	-169.8	0	0	0	0	110.6
940	F	23.5	Very low	25	Very low	182 Å²	182	148.5 Å²	148.5	80%	0.798	81%	0.805	S	S	*	*			trans	91.2	152.2	159.2	-86.7	-78.3	0	0	0	123.5
941	I	23.5	Very low	25	Very low	150 Å²	150	152.3 Å²	152.3	77%	0.769	81%	0.808	S	S	*	*			trans	81.9	93.5	169.9	-44.9	-169.4	0	0	0	114.6
942	V	24.8	Very low	25	Very low	134 Å²	134	148.9 Å²	148.9	81%	0.812	80%	0.796	S	S	*	*				73.2	118.1	65.1	179	0	0	0	0	114.1
943	G	23.8	Very low	25	Very low	66 Å²	66	155 Å²	155	68%	0.68	80%	0.799	S	S	*	*			trans	164.5	88.1	163.4	0	0	0	0	0	120.2
944	F	23.3	Very low	25.1	Very low	207 Å²	207	160.1 Å²	160.1	91%	0.908	80%	0.803	S	S	*	*			trans	62.6	142	137.6	-91.9	-91.9	0	0	0	125.8
945	S	24	Very low	25	Very low	122 Å²	122	158.3 Å²	158.3	85%	0.853	80%	0.803	S	S	*	*			trans	68.6	148.5	155	-119.3	0	0	0	0	118.6
946	G	24.6	Very low	25.1	Very low	60 Å²	60	157.5 Å²	157.5	62%	0.619	80%	0.803	S	S	*	*			cis	164.7	154.4	-0.9	0	0	0	0	0	110.6
947	E	26.2	Very low	25.2	Very low	182 Å²	182	157.2 Å²	157.2	85%	0.85	80%	0.802	S	S	*	*			trans	62.7	113.3	177.3	-55.4	-165.6	106.9	0	0	117.4
948	K	26.7	Very low	25.5	Very low	193 Å²	193	153.7 Å²	153.7	84%	0.839	80%	0.796	S	S	*	*				60.1	109.7	58	-67.8	-172	176	175.1	0	116.3
949	R	25.8	Very low	25.6	Very low	248 Å²	248	154.2 Å²	154.2	94%	0.936	80%	0.795	S	S	*	*				-157.7	135	125.9	-109.4	170.5	-152.3	-158.5	7	113.6
950	H	27.1	Very low	25.9	Very low	188 Å²	188	157.4 Å²	157.4	87%	0.87	80%	0.797	S	S	*	*			trans	-97.9	149.5	175.6	-86.2	-82.1	0	0	0	112.1
951	K	25.7	Very low	26.2	Very low	194 Å²	194	155.6 Å²	155.6	84%	0.843	80%	0.796	S	S	*	*				171	133	118.7	-91.5	167.2	-179.7	179.1	0	108.5
952	S	25.2	Very low	26.6	Very low	93 Å²	93	157.7 Å²	157.7	65%	0.65	80%	0.799	S	S	*	*				62.8	133.7	68.5	-144.1	0	0	0	0	111.3
953	R	26.8	Very low	26.7	Very low	227 Å²	227	159.9 Å²	159.9	86%	0.857	80%	0.798	S	S	*	*			cis	-163.5	169.4	26.4	-160.7	175.7	-83.3	-169.3	-10.2	111.9
954	Y	26.9	Very low	26.8	Very low	218 Å²	218	162.3 Å²	162.3	86%	0.855	80%	0.799	S	S	*	*			trans	-62.1	160.7	172	-70.8	-108.5	0	0	0	114.9
955	V	26.8	Very low	27.1	Very low	135 Å²	135	162.2 Å²	162.2	82%	0.818	79%	0.794	S	S	*	*				171.6	142.9	111.6	156.4	0	0	0	0	114
956	T	27.6	Very low	27.3	Very low	119 Å²	119	163.2 Å²	163.2	73%	0.73	79%	0.789	S	S	*	*			trans	-31.5	153.6	168.4	-29.6	0	0	0	0	120
957	L	25.7	Very low	27.3	Very low	161 Å²	161	168.4 Å²	168.4	84%	0.843	80%	0.801	S	S	*	*				-172.6	159.1	128.2	-101.2	162.6	0	0	0	116.2
958	T	28.8	Very low	27.3	Very low	113 Å²	113	168.1 Å²	168.1	69%	0.693	80%	0.8	S	S	*	*			trans	-70.2	165.5	-174.8	53.3	0	0	0	0	117.6
959	N	26.7	Very low	27.4	Very low	143 Å²	143	162 Å²	162	77%	0.765	79%	0.792	S	S	*	*				174.8	175.1	100.1	-144	-14	0	0	0	115.8
960	K	30.6	Very low	27.5	Very low	170 Å²	170	158.3 Å²	158.3	74%	0.739	79%	0.79	S	S	*	*			trans	-83.6	155.5	-171	-54.7	154	176.8	172	0	115.9
961	N	29.2	Very low	27.9	Very low	145 Å²	145	154.9 Å²	154.9	78%	0.775	78%	0.783	S	S	*	*				167.2	129.4	110.4	-90.6	-29.8	0	0	0	117
962	K	31.4	Very low	28.3	Very low	193 Å²	193	152.3 Å²	152.3	84%	0.839	78%	0.777	S	S	*	*			trans	5.7	137.7	140.1	-71.8	179.5	169.2	-177.4	0	121.4
963	K	27	Very low	28.9	Very low	181 Å²	181	157 Å²	157	79%	0.787	79%	0.786	S	S	*	*				-160.4	155.1	111.6	-111	178.2	-175.9	-176.9	0	112.9
964	T	27.1	Very low	29.2	Very low	117 Å²	117	149.5 Å²	149.5	72%	0.718	78%	0.779	S	S	*	*			trans	-132.6	147.1	-178.2	-50.8	0	0	0	0	108
965	Y	28.1	Very low	30.1	Very low	205 Å²	205	149.1 Å²	149.1	80%	0.804	80%	0.803	S	S	*	*			trans	-128.8	142.6	165.2	-81.9	-81.5	0	0	0	110.4
966	I	28.4	Very low	30.3	Very low	142 Å²	142	149.8 Å²	149.8	73%	0.728	80%	0.803	S	S	*	*			trans	-125.3	143.2	176.8	-64.3	171	0	0	0	106.2
967	L	25.1	Very low	30.4	Very low	170 Å²	170	151.4 Å²	151.4	89%	0.89	81%	0.806	S	S	*	*			trans	-154	134.8	156.3	-108.6	159.8	0	0	0	110.5
968	H	27.4	Very low	30.7	Very low	175 Å²	175	150.9 Å²	150.9	81%	0.81	80%	0.804	S	S	*	*			trans	-64	159.2	161.8	-70.4	-102.5	0	0	0	109
969	G	27.5	Very low	30.8	Very low	65 Å²	65	153.1 Å²	153.1	67%	0.67	81%	0.811	S	S	*	*			cis	111.4	105.6	13.3	0	0	0	0	0	110.3
970	D	28.8	Very low	31	Very low	171 Å²	171	153.8 Å²	153.8	91%	0.914	81%	0.814	S	S	*	*			trans	-162.4	155.8	162.1	-116.7	-26.9	0	0	0	113.3
971	T	34.3	Very low	31.1	Very low	115 Å²	115	152.7 Å²	152.7	71%	0.706	82%	0.819	S	S	*	*			trans	-113.4	154.3	-172	49.3	0	0	0	0	113.3
972	L	34.6	Very low	31.2	Very low	140 Å²	140	153.2 Å²	153.2	73%	0.733	82%	0.822	S	S	*	*				162.5	135.9	125	-87.1	158.2	0	0	0	114.5
973	K	38.6	Very low	31.2	Very low	193 Å²	193	150.2 Å²	150.2	84%	0.839	82%	0.821	S	S	*	*			trans	49	133.3	147.7	-63.3	171.2	-177.8	174.1	0	119
974	G	33.3	Very low	31.5	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	82%	0.823	S	S	*	*				89.7	135	51.7	0	0	0	0	0	109
975	P	45.1	Very low	31.9	Very low	209 Å²	209	150.4 Å²	150.4	100%	1.357	83%	0.833	S	S	*	*			cis	-110	0	39.9	38.8	-33	0	0	0	116.2

Retrieved 975 of 975 residues in 225.3 ms (Link to these results)

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