A0A077Z1W2_TRITR Loading...

Multidrug resistance protein 1

AlphaFold DB , UniProt , Accession A0A077Z1W2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,234 aa.

						>A0A077Z1W2_TRITR|A0A077Z1W2
MAASENEKQALLPSDEEKSASSIGSYGSVDSLKSSTKGFYFADSWDYVLMFFGTIFAIIHGAGWPTLSIITGHMTDTFIRAQITDFTSNISCLQNVSSTLRQITVIEFVAAIRIYTIFYVLIGVLIFVTSYAQIACWSSACERQTHRIRKQFFKSVLHMEISWYDRSRSGELTSKLNDDIERVREGIGDKVSLLCQYTAAFVSGFAIGFFYSWKLSLVMMSLSPLLALSSALSYMARREQKLFASASAVAEEAISSIRTVLAFNGQKNEINRYKKALEETRRLGYRKNLVIGFGFLITFVSTFSTYALAFWYGSKLIDQDPLLPRGAIFTVFFAIMAGSMAFGSAAPHLTTIAIARGSASSVIALINTKPSIDSSSRLGLHPNNVEGHVEFHNVTFSYPLRPEFQVLKSLSFVIAAGQRIAIVGESGSGKSTVVNLLLRFYDCTKGAIYIDGFNLKVFNVHALRSMIGVVSQEPVLFDGTVEENIQLGKLDATLEEIKNAAVLANAFNFVSALPQGFGTRVGERGVQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEGVVQEALCQAQKNRTTIAIAHRLSTIKDYDKIFVLKNGIIQEQGSHEELMQQRAIYYSMVLAQQIEENAITPSEQSDSSYDSSEQQESCISEQCYDAKEKQKVLSIGFWSIVGSSKKNWHCLLFGSIGCLLSGTVMPAFSLFFSQVFYVSFRPTVSRRYACSGCSCAFCFGKAGEDLTLMLRVKLLENLLRQEVSYFDHANHSTGQICTRLATDVPNIRAVNYPNVFIRHAVVIAFVFGWKLALVVTILVPVMICSSYLDMKIKMRNQRRDDKLLENAGKVFTEAVQNIRCVQSLCRERHFHTWYCSYLTIPFRRPVTSAFRASLRQAQFYALSFGFSQSVIFFMYAIAFRYGGYLVGIGDMKPLDVYRFFFALTFCGMSMGQASCFIPDLAKARVSAASVFRMIQAEPIIDSCSAIVNPHCIFTRWFLMKGIHFAYPARPDVSIFRGLNLNVFANKTLAIVGPSGCGKSTIISLLQRFYDPNRGTIRYDDHSLKVLNLHHVRKSIGLVSQEPVLFNVTLRQNIVYGLEERVPHSKVVEAAKLANIHEFILSLPLGYNTLAGERGLNLSGGQKQRIAIARALVRDPKILMFDEATSALDTESETVVQDAVEKAQAGRTSILIAHRLSTVQNAHWIVVMKEGSIVEAGTHSQLVSKGGFYYNMIRMQNLLEY
					

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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	33.1	Very low	28.9	Very low	258 Å²	258	160.9 Å²	160.9	100%	1.271	90%	0.896	S	S	*	*				0	32.7	0	-89.3	179.4	162.8	0	0	112.5
2	A	25.6	Very low	28.7	Very low	101 Å²	101	159.2 Å²	159.2	84%	0.835	88%	0.882	S	S	*	*			trans	-134.5	98.2	171.4	0	0	0	0	0	106.2
3	A	27	Very low	28.7	Very low	103 Å²	103	157.2 Å²	157.2	85%	0.851	88%	0.881	S	S	*	*			trans	176.2	72.1	167.3	0	0	0	0	0	109.5
4	S	29.9	Very low	28.6	Very low	121 Å²	121	152.6 Å²	152.6	85%	0.846	87%	0.865	S	S	*	*			trans	-166.1	34.1	165	58	0	0	0	0	114.8
5	E	30.4	Very low	28.5	Very low	183 Å²	183	152.5 Å²	152.5	86%	0.855	86%	0.861	S	S	*	*			trans	-120.3	5.6	177.6	-88.1	-169.8	154.2	0	0	116.3
6	N	28.8	Very low	28.4	Very low	164 Å²	164	153.6 Å²	153.6	88%	0.877	86%	0.857	S	S	*	*	S	Bend	trans	-97.8	15.4	-176.2	-86.8	-3.5	0	0	0	116.9
7	E	29.4	Very low	28.4	Very low	192 Å²	192	155.9 Å²	155.9	90%	0.897	86%	0.86	S	S	*	*	S	Bend	trans	-109.2	16.5	-178.9	-111.8	-179.6	177.4	0	0	115.5
8	K	31.4	Very low	28.3	Very low	203 Å²	203	157.4 Å²	157.4	88%	0.883	86%	0.856	S	S	*	*	S	Bend	trans	-117.9	18.3	179.7	-81.7	-175.9	178.6	171.7	0	116.3
9	Q	27	Very low	28.2	Very low	170 Å²	170	153.8 Å²	153.8	79%	0.794	84%	0.844	S	S	*	*			trans	-108	8	178.8	-88.2	-177.1	-12.6	0	0	116.3	L11	Q9-L11 PolarHBondContact O-N 3.03Å
10	A	26.7	Very low	28.2	Very low	101 Å²	101	150.2 Å²	150.2	84%	0.835	84%	0.835	S	S	*	*			trans	-93.6	33.4	-179.1	0	0	0	0	0	115.4
11	L	28.2	Very low	28.1	Very low	174 Å²	174	147.5 Å²	147.5	91%	0.911	83%	0.827	S	S	*	*			trans	-133.9	60	172.3	-82.1	164.6	0	0	0	110	Q9	Q9-L11 PolarHBondContact O-N 3.03Å
12	L	26.5	Very low	27.7	Very low	140 Å²	140	140.3 Å²	140.3	73%	0.733	80%	0.801	S	S	*	*			trans	-127.4	120.2	164.9	-73.7	164.3	0	0	0	105.5	S14	L12-S14 PolarHBondContact O-N 3.06Å
13	P	29.7	Very low	27.9	Very low	133 Å²	133	143 Å²	143	86%	0.864	80%	0.8	S	S	*	*			trans	-67.6	106.7	162.3	19.1	-12.9	0	0	0	106.8
14	S	26.5	Very low	28	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	78%	0.784	S	S	*	*			trans	-61.7	123.5	163.8	46.8	0	0	0	0	109.5	L12 E16	L12-S14 PolarHBondContact O-N 3.06Å; S14-E16 PolarHBondContact O-N 3.37Å; S14-E16 VanDerWaalsContact O-N 3.14Å
15	D	26.8	Very low	27.7	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	79%	0.786	S	S	*	*	S	Bend	trans	45.4	52.6	142.5	-63.8	-33.3	0	0	0	118.9
16	E	27.6	Very low	27.7	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	78%	0.778	S	S	*	*			trans	-112.7	11	162.6	-88.2	-169.8	160.2	0	0	114.5	S14 K18 S19	S14-E16 PolarHBondContact O-N 3.37Å; S14-E16 VanDerWaalsContact O-N 3.14Å; E16-K18 PolarHBondContact O-N 3.35Å; E16-S19 PolarHBondContact O-OG 3.5Å
17	E	27.5	Very low	27.6	Very low	194 Å²	194	135.4 Å²	135.4	91%	0.907	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	12.7	169.9	-97.9	-176.9	172.4	0	0	114
18	K	28	Very low	27.5	Very low	182 Å²	182	130.9 Å²	130.9	79%	0.791	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	1.9	174.3	-84.5	-176.4	178.3	174.2	0	115.2	E16	E16-K18 PolarHBondContact O-N 3.35Å
19	S	26	Very low	27.5	Very low	90 Å²	90	127.2 Å²	127.2	63%	0.629	75%	0.749	S	S	*	*	S	Bend	trans	-113.3	-2	-179.8	54.6	0	0	0	0	115	E16	E16-S19 PolarHBondContact O-OG 3.5Å
20	A	27.4	Very low	27.8	Very low	81 Å²	81	125.5 Å²	125.5	67%	0.669	75%	0.746	S	S	*	*	S	Bend	trans	-97	5.4	169.4	0	0	0	0	0	113.7
21	S	26.6	Very low	27.9	Very low	94 Å²	94	124.9 Å²	124.9	66%	0.657	74%	0.735	S	S	*	*			trans	-101.7	24.7	176.5	63.9	0	0	0	0	113.7
22	S	24.5	Very low	28.2	Very low	106 Å²	106	120.4 Å²	120.4	74%	0.741	71%	0.712	S	S	*	*			trans	-92.2	26.9	169.5	57.7	0	0	0	0	112.5	G24	S22-G24 PolarHBondContact O-N 3.27Å
23	I	30.2	Very low	28.7	Very low	157 Å²	157	122.4 Å²	122.4	81%	0.805	71%	0.714	S	S	*	*	S	Bend	trans	-75.9	94.6	168.7	-59.2	174.1	0	0	0	107.5
24	G	28.7	Very low	29	Very low	49 Å²	49	118.8 Å²	118.8	51%	0.505	69%	0.693	S	S	.	*			trans	31.1	96.9	159.2	0	0	0	0	0	116.4	S22 Y26	S22-G24 PolarHBondContact O-N 3.27Å; G24-Y26 VanDerWaalsContact C-N 3.27Å; G24-Y26 PolarHBondContact O-N 3.4Å
25	S	23.7	Very low	29.7	Very low	128 Å²	128	118.9 Å²	118.9	90%	0.895	69%	0.693	S	S	*	*			trans	-56.8	85.6	163.4	59.1	0	0	0	0	111.3
26	Y	30.6	Very low	30.7	Very low	176 Å²	176	116.5 Å²	116.5	69%	0.69	68%	0.684	S	S	*	*			trans	-92.4	106.4	157.4	-80.3	-88.5	0	0	0	107.8	G24	G24-Y26 VanDerWaalsContact C-N 3.27Å; G24-Y26 PolarHBondContact O-N 3.4Å
27	G	26.7	Very low	31.9	Very low	59 Å²	59	112.6 Å²	112.6	61%	0.608	66%	0.664	S	S	*	*	S	Bend	trans	60.5	105.3	159	0	0	0	0	0	116.4	V29	G27-V29 PolarHBondContact O-N 3.11Å; G27-V29 VanDerWaalsContact O-N 3.13Å
28	S	26.9	Very low	33.4	Very low	98 Å²	98	105.2 Å²	105.2	69%	0.685	64%	0.64	S	S	*	*			trans	-14.7	106.9	158.9	44.9	0	0	0	0	115.4	D30	S28-D30 PolarHBondContact O-N 3.06Å
29	V	32.1	Very low	35.7	Very low	126 Å²	126	98.8 Å²	98.8	76%	0.764	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-73.4	24.3	173.9	-179.2	0	0	0	0	111.6	G27	G27-V29 PolarHBondContact O-N 3.11Å; G27-V29 VanDerWaalsContact O-N 3.13Å
30	D	32.1	Very low	38	Very low	134 Å²	134	100.5 Å²	100.5	72%	0.717	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-91.8	1.6	-175.9	-78.7	-40.8	0	0	0	114.5	S28	S28-D30 PolarHBondContact O-N 3.06Å
31	S	30.7	Very low	40.7	Very low	88 Å²	88	98.1 Å²	98.1	62%	0.615	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-104.5	13.9	-175.8	67.2	0	0	0	0	116.6	K37	S31-K37 PolarHBondContact O-NZ 2.99Å
32	L	33.6	Very low	43.6	Very low	80 Å²	80	94.3 Å²	94.3	42%	0.419	56%	0.555	S	S	.	*			trans	-120.1	20.9	-169.6	-89.2	150.3	0	0	0	116.3	S34 K37	L32-S34 PolarHBondContact O-N 3.12Å; L32-K37 HydrophobicContact CD2-CD 3.54Å
33	K	36.5	Very low	46.7	Very low	181 Å²	181	91.5 Å²	91.5	79%	0.787	53%	0.532	S	S	*	.			trans	-81.6	4.7	-175.8	-78	-178.9	179.3	168.5	0	117.5
34	S	37.2	Very low	49.5	Very low	58 Å²	58	88.9 Å²	88.9	41%	0.406	53%	0.527	S	S	.	.			trans	-87.8	127.8	176.8	-175.2	0	0	0	0	113	L32 T36 K37	L32-S34 PolarHBondContact O-N 3.12Å; S34-T36 PolarHBondContact O-N 3.3Å; S34-T36 VanDerWaalsContact O-N 3.13Å; S34-T36 PolarHBondContact OG-N 3.32Å; S34-T36 PolarHBondContact OG-OG1 2.68Å; S34-K37 PolarHBondContact O-N 3.09Å
35	S	41	Very low	52.5	Low	95 Å²	95	93.6 Å²	93.6	66%	0.664	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.1	175.6	65.4	0	0	0	0	113.8	K37	S35-K37 VanDerWaalsContact C-N 3.32Å; S35-K37 PolarHBondContact O-N 3.04Å
36	T	46.6	Very low	55.7	Low	101 Å²	101	87.5 Å²	87.5	62%	0.62	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-75.1	-13.2	179.6	52.4	0	0	0	0	114.6	S34 G38	S34-T36 PolarHBondContact O-N 3.3Å; S34-T36 VanDerWaalsContact O-N 3.13Å; S34-T36 PolarHBondContact OG-N 3.32Å; S34-T36 PolarHBondContact OG-OG1 2.68Å; T36-G38 VanDerWaalsContact C-N 3.29Å; T36-G38 PolarHBondContact O-N 3.5Å
37	K	54.1	Low	58.7	Low	87 Å²	87	84.9 Å²	84.9	38%	0.378	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-78.3	-4.6	-179.4	-75.2	-177.5	175.4	178.5	0	114.7	S31 L32 S34 S35 F39	S31-K37 PolarHBondContact O-NZ 2.99Å; L32-K37 HydrophobicContact CD2-CD 3.54Å; S34-K37 PolarHBondContact O-N 3.09Å; S35-K37 VanDerWaalsContact C-N 3.32Å; S35-K37 PolarHBondContact O-N 3.04Å; K37-F39 VanDerWaalsContact C-N 3.27Å; K37-F39 PolarHBondContact O-N 3.41Å
38	G	57.6	Low	61.9	Low	39 Å²	39	84.8 Å²	84.8	40%	0.402	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-65.1	-27.8	177.7	0	0	0	0	0	114.2	T36	T36-G38 VanDerWaalsContact C-N 3.29Å; T36-G38 PolarHBondContact O-N 3.5Å
39	F	76.9	Confident	65	Low	48 Å²	48	81.4 Å²	81.4	21%	0.211	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-107.7	39.5	-178.7	-61.3	-75.4	0	0	0	112.2	K37 F41 A42 M50 W137 I187 V191	K37-F39 VanDerWaalsContact C-N 3.27Å; K37-F39 PolarHBondContact O-N 3.41Å; F39-F41 PolarHBondContact O-N 2.78Å; F39-A42 HydrophobicContact CB-CB 4.09Å; F39-A42 WeakPolarHBondContact O-CB 3.33Å; F39-A42 PolarHBondContact O-N 2.92Å; F39-A42 VanDerWaalsContact O-N 3.12Å; F39-M50 HydrophobicContact CB-CE 4.47Å; F39-M50 HydrophobicContact CD1-CE 4.12Å; F39-M50 HydrophobicContact CD1-SD 3.57Å; F39-M50 VanDerWaalsContact CD1-SD 3.57Å; F39-M50 HydrophobicContact CE1-SD 3.53Å; F39-M50 VanDerWaalsContact CE1-SD 3.53Å; F39-M50 HydrophobicContact CG-CE 4.27Å; F39-M50 HydrophobicContact CG-SD 4.18Å; F39-M50 HydrophobicContact CZ-SD 4.13Å; F39-W137 HydrophobicContact CE1-CH2 4.44Å; F39-W137 AromaticContact CE1-CZ3 3.9Å; F39-W137 HydrophobicContact CE1-CZ3 3.9Å; F39-W137 AromaticContact CZ-CH2 3.97Å; F39-W137 HydrophobicContact CZ-CH2 3.97Å; F39-W137 AromaticContact CZ-CZ3 3.81Å; F39-W137 HydrophobicContact CZ-CZ3 3.81Å; F39-I187 HydrophobicContact CE1-CB 4.04Å; F39-I187 HydrophobicContact CE1-CG2 4.26Å; F39-V191 HydrophobicContact CZ-CG2 4.42Å
40	Y	75.3	Confident	68	Low	125 Å²	125	76 Å²	76	49%	0.49	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.7	-175.1	-173.3	-96.6	0	0	0	114
41	F	84.2	Confident	71	Confident	32 Å²	32	75.7 Å²	75.7	14%	0.14	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.2	-176.9	-64.8	-82.6	0	0	0	114.6	F39 R147 I148 Q151 I363 I366	F39-F41 PolarHBondContact O-N 2.78Å; F41-R147 HydrophobicContact CB-CB 4.33Å; F41-R147 HydrophobicContact CD1-CB 4.47Å; F41-R147 WeakPolarHBondContact O-CD 3.43Å; F41-R147 PolarHBondContact O-NH1 3.26Å; F41-I148 HydrophobicContact CB-CG1 4.17Å; F41-I148 HydrophobicContact CD2-CD1 3.99Å; F41-I148 HydrophobicContact CD2-CG1 3.27Å; F41-I148 HydrophobicContact CE2-CG1 3.71Å; F41-I148 HydrophobicContact CG-CG1 3.77Å; F41-Q151 HydrophobicContact CE1-CB 4.03Å; F41-Q151 HydrophobicContact CE1-CG 4.04Å; F41-Q151 HydrophobicContact CZ-CB 4.48Å; F41-Q151 HydrophobicContact CZ-CG 4.42Å; F41-I363 HydrophobicContact CE2-CG1 4.31Å; F41-I366 HydrophobicContact CE2-CD1 4.1Å; F41-I366 HydrophobicContact CZ-CD1 3.66Å; F41-I366 HydrophobicContact CZ-CG2 4.13Å
42	A	86.8	Confident	74.1	Confident	14 Å²	14	76.3 Å²	76.3	12%	0.116	39%	0.389	C	S	.	.			trans	-72	128.3	176.3	0	0	0	0	0	110.9	F39 D46 Y47 M50 Q144	F39-A42 HydrophobicContact CB-CB 4.09Å; F39-A42 WeakPolarHBondContact O-CB 3.33Å; F39-A42 PolarHBondContact O-N 2.92Å; F39-A42 VanDerWaalsContact O-N 3.12Å; A42-D46 WeakPolarHBondContact CA-OD2 3.35Å; A42-D46 HydrophobicContact CB-CB 3.83Å; A42-Y47 HydrophobicContact CB-CD2 4.2Å; A42-Y47 HydrophobicContact CB-CE1 4.34Å; A42-Y47 HydrophobicContact CB-CE2 3.77Å; A42-Y47 WeakPolarHBondContact O-CE2 3.34Å; A42-M50 HydrophobicContact CB-CE 3.87Å; A42-Q144 HydrophobicContact CB-CG 4.35Å
43	D	88.7	Confident	77	Confident	47 Å²	47	72.5 Å²	72.5	25%	0.251	37%	0.369	S	S	.	.			trans	-87.2	175.6	168.3	69.1	6.2	0	0	0	111.6	W45 D46 Y47 R143 R147	D43-W45 PolarHBondContact O-N 2.69Å; D43-W45 WeakPolarHBondContact OD1-CB 3.45Å; D43-W45 PolarHBondContact OD1-N 2.92Å; D43-W45 VanDerWaalsContact OD1-N 3.15Å; D43-D46 PolarHBondContact N-OD2 3.18Å; D43-D46 WeakPolarHBondContact O-CB 3.38Å; D43-D46 PolarHBondContact O-N 3.28Å; D43-D46 WeakPolarHBondContact OD1-CB 3.45Å; D43-D46 PolarHBondContact OD1-N 2.78Å; D43-Y47 WeakPolarHBondContact O-CD2 3.11Å; D43-Y47 PolarHBondContact O-N 2.84Å; D43-R143 IonicContact OD1-NH2 3.23Å; D43-R143 IonicContact OD2-CZ 3.74Å; D43-R143 IonicContact OD2-NH2 2.81Å; D43-R143 PolarHBondContact OD2-NH2 2.88Å; D43-R147 VanDerWaalsContact CG-NH2 3.31Å; D43-R147 IonicContact OD1-NH1 3.95Å; D43-R147 IonicContact OD2-CZ 2.74Å; D43-R147 IonicContact OD2-NH1 3.51Å; D43-R147 IonicContact OD2-NH2 3.95Å; D43-R147 PolarHBondContact OD2-NH2 2.65Å
44	S	90.3	Very high	79.8	Confident	101 Å²	101	65.6 Å²	65.6	71%	0.706	34%	0.342	S	S	*	.	H	α-helix	trans	-55.4	-34.9	179	-50.5	0	0	0	0	112.6	Y47 V48	S44-Y47 PolarHBondContact O-N 3.21Å; S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.21Å; S44-V48 PolarHBondContact O-N 3.47Å; S44-V48 VanDerWaalsContact O-N 3.08Å
45	W	90.4	Very high	82.7	Confident	149 Å²	149	65.9 Å²	65.9	56%	0.564	34%	0.339	S	S	*	.	H	α-helix	trans	-71.4	-38	177.1	-170.6	-106.5	0	0	0	112.2	D43 Y47 V48 L49	D43-W45 PolarHBondContact O-N 2.69Å; D43-W45 WeakPolarHBondContact OD1-CB 3.45Å; D43-W45 PolarHBondContact OD1-N 2.92Å; D43-W45 VanDerWaalsContact OD1-N 3.15Å; W45-Y47 VanDerWaalsContact C-N 3.33Å; W45-V48 HydrophobicContact CZ3-CG1 4.42Å; W45-V48 PolarHBondContact O-N 2.9Å; W45-L49 WeakPolarHBondContact O-CG 3.19Å; W45-L49 PolarHBondContact O-N 2.93Å
46	D	91.6	Very high	85.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-42.5	174.1	-61.2	-36.6	0	0	0	110.5	A42 D43 V48 L49 M50 A140 R143 R147	A42-D46 WeakPolarHBondContact CA-OD2 3.35Å; A42-D46 HydrophobicContact CB-CB 3.83Å; D43-D46 PolarHBondContact N-OD2 3.18Å; D43-D46 WeakPolarHBondContact O-CB 3.38Å; D43-D46 PolarHBondContact O-N 3.28Å; D43-D46 WeakPolarHBondContact OD1-CB 3.45Å; D43-D46 PolarHBondContact OD1-N 2.78Å; D46-V48 PolarHBondContact O-N 2.82Å; D46-L49 PolarHBondContact O-N 3.06Å; D46-M50 WeakPolarHBondContact O-CB 3.47Å; D46-M50 VanDerWaalsContact O-CG 3.26Å; D46-M50 WeakPolarHBondContact O-CG 3.29Å; D46-M50 PolarHBondContact O-N 2.88Å; D46-A140 HydrophobicContact CB-CB 4.41Å; D46-R143 WeakPolarHBondContact OD1-CB 3.4Å; D46-R143 WeakPolarHBondContact OD1-CD 3.1Å; D46-R143 IonicContact OD1-CZ 3.03Å; D46-R143 IonicContact OD1-NE 3.01Å; D46-R143 PolarHBondContact OD1-NE 3.35Å; D46-R147 IonicContact OD2-CZ 3.83Å; D46-R147 IonicContact OD2-NH1 3.87Å; D46-R147 PolarHBondContact OD2-NH1 3.23Å
47	Y	92.7	Very high	87.7	Confident	120 Å²	120	59.3 Å²	59.3	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-42.1	173.8	-75.8	-68.2	0	0	0	112.4	A42 D43 S44 W45 M50 F51	A42-Y47 HydrophobicContact CB-CD2 4.2Å; A42-Y47 HydrophobicContact CB-CE1 4.34Å; A42-Y47 HydrophobicContact CB-CE2 3.77Å; A42-Y47 WeakPolarHBondContact O-CE2 3.34Å; D43-Y47 WeakPolarHBondContact O-CD2 3.11Å; D43-Y47 PolarHBondContact O-N 2.84Å; S44-Y47 PolarHBondContact O-N 3.21Å; W45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-M50 HydrophobicContact CD1-CE 3.71Å; Y47-M50 HydrophobicContact CE1-CE 4.04Å; Y47-M50 HydrophobicContact CG-CE 4.25Å; Y47-M50 PolarHBondContact O-N 2.81Å; Y47-F51 VanDerWaalsContact O-CB 3.25Å; Y47-F51 WeakPolarHBondContact O-CB 3.26Å; Y47-F51 PolarHBondContact O-N 3.36Å
48	V	94.6	Very high	89.7	Confident	58 Å²	58	59.1 Å²	59.1	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-46.9	175.3	169.9	0	0	0	0	110.9	S44 W45 D46 F51 F52	S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.21Å; S44-V48 PolarHBondContact O-N 3.47Å; S44-V48 VanDerWaalsContact O-N 3.08Å; W45-V48 HydrophobicContact CZ3-CG1 4.42Å; W45-V48 PolarHBondContact O-N 2.9Å; D46-V48 PolarHBondContact O-N 2.82Å; V48-F51 PolarHBondContact O-N 3.08Å; V48-F52 HydrophobicContact CG1-CD2 3.74Å; V48-F52 HydrophobicContact CG1-CE2 3.74Å; V48-F52 VanDerWaalsContact O-CD2 3.3Å; V48-F52 WeakPolarHBondContact O-CD2 3.07Å; V48-F52 PolarHBondContact O-N 2.83Å
49	L	92.5	Very high	91.6	Very high	26 Å²	26	60.5 Å²	60.5	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-48	176.8	-72.6	174	0	0	0	111.5	W45 D46 F51 G53 C136 A140	W45-L49 WeakPolarHBondContact O-CG 3.19Å; W45-L49 PolarHBondContact O-N 2.93Å; D46-L49 PolarHBondContact O-N 3.06Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 2.84Å; L49-G53 PolarHBondContact O-N 2.93Å; L49-C136 HydrophobicContact CB-CB 4.46Å; L49-C136 VanDerWaalsContact O-CB 3.31Å; L49-C136 WeakPolarHBondContact O-CB 3.42Å; L49-A140 HydrophobicContact CB-CB 4.23Å; L49-A140 HydrophobicContact CD1-CB 4.45Å
50	M	94.1	Very high	92.4	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.064	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-38.8	178.8	-70.8	-175.1	-62.4	0	0	111.7	F39 A42 D46 Y47 T54 W137 A140	F39-M50 HydrophobicContact CB-CE 4.47Å; F39-M50 HydrophobicContact CD1-CE 4.12Å; F39-M50 HydrophobicContact CD1-SD 3.57Å; F39-M50 VanDerWaalsContact CD1-SD 3.57Å; F39-M50 HydrophobicContact CE1-SD 3.53Å; F39-M50 VanDerWaalsContact CE1-SD 3.53Å; F39-M50 HydrophobicContact CG-CE 4.27Å; F39-M50 HydrophobicContact CG-SD 4.18Å; F39-M50 HydrophobicContact CZ-SD 4.13Å; A42-M50 HydrophobicContact CB-CE 3.87Å; D46-M50 WeakPolarHBondContact O-CB 3.47Å; D46-M50 VanDerWaalsContact O-CG 3.26Å; D46-M50 WeakPolarHBondContact O-CG 3.29Å; D46-M50 PolarHBondContact O-N 2.88Å; Y47-M50 HydrophobicContact CD1-CE 3.71Å; Y47-M50 HydrophobicContact CE1-CE 4.04Å; Y47-M50 HydrophobicContact CG-CE 4.25Å; Y47-M50 PolarHBondContact O-N 2.81Å; M50-T54 WeakPolarHBondContact O-CB 3.19Å; M50-T54 PolarHBondContact O-N 3.36Å; M50-T54 PolarHBondContact O-OG1 3.01Å; M50-W137 HydrophobicContact CB-CH2 4.15Å; M50-W137 HydrophobicContact CB-CZ2 4.17Å; M50-W137 HydrophobicContact CB-CZ3 4.49Å; M50-W137 HydrophobicContact CG-CD2 4.45Å; M50-W137 HydrophobicContact CG-CE3 4.11Å; M50-W137 HydrophobicContact CG-CH2 4Å; M50-W137 HydrophobicContact CG-CZ2 4.38Å; M50-W137 HydrophobicContact CG-CZ3 3.86Å; M50-W137 HydrophobicContact SD-CE3 4.49Å; M50-W137 HydrophobicContact SD-CH2 4.02Å; M50-W137 HydrophobicContact SD-CZ3 3.79Å; M50-A140 HydrophobicContact CG-CB 3.87Å
51	F	95	Very high	93.3	Very high	128 Å²	128	52.4 Å²	52.4	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-61.6	-55.9	177.2	178.5	-102.3	0	0	0	111.6	Y47 V48 L49 G53 T54 I55	Y47-F51 VanDerWaalsContact O-CB 3.25Å; Y47-F51 WeakPolarHBondContact O-CB 3.26Å; Y47-F51 PolarHBondContact O-N 3.36Å; V48-F51 PolarHBondContact O-N 3.08Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 2.84Å; F51-G53 VanDerWaalsContact C-N 3.35Å; F51-G53 PolarHBondContact O-N 3.32Å; F51-T54 PolarHBondContact O-N 2.8Å; F51-I55 HydrophobicContact CD1-CD1 3.96Å; F51-I55 HydrophobicContact CE1-CD1 3.41Å; F51-I55 VanDerWaalsContact CE1-CD1 3.41Å; F51-I55 HydrophobicContact CE2-CD1 4.28Å; F51-I55 HydrophobicContact CZ-CD1 3.6Å; F51-I55 PolarHBondContact O-N 2.83Å
52	F	95.6	Very high	93.7	Very high	100 Å²	100	52 Å²	52	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-41.5	177.5	-77.3	-65.7	0	0	0	112	V48 T54 I55 F56	V48-F52 HydrophobicContact CG1-CD2 3.74Å; V48-F52 HydrophobicContact CG1-CE2 3.74Å; V48-F52 VanDerWaalsContact O-CD2 3.3Å; V48-F52 WeakPolarHBondContact O-CD2 3.07Å; V48-F52 PolarHBondContact O-N 2.83Å; F52-T54 PolarHBondContact O-N 2.95Å; F52-I55 PolarHBondContact O-N 3.29Å; F52-F56 HydrophobicContact CB-CD2 4.42Å; F52-F56 HydrophobicContact CB-CE2 4.02Å; F52-F56 WeakPolarHBondContact O-CD2 3.42Å; F52-F56 WeakPolarHBondContact O-CG 3.5Å; F52-F56 PolarHBondContact O-N 3.31Å
53	G	95.2	Very high	93.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-35.7	175.6	0	0	0	0	0	113	L49 F51 A57	L49-G53 PolarHBondContact O-N 2.93Å; F51-G53 VanDerWaalsContact C-N 3.35Å; F51-G53 PolarHBondContact O-N 3.32Å; G53-A57 WeakPolarHBondContact O-CB 3.43Å; G53-A57 PolarHBondContact O-N 3.4Å
54	T	96.3	Very high	93.8	Very high	36 Å²	36	53 Å²	53	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-41.4	175.7	-55	0	0	0	0	112	M50 F51 F52 F56 A57 I58 W137 C195	M50-T54 WeakPolarHBondContact O-CB 3.19Å; M50-T54 PolarHBondContact O-N 3.36Å; M50-T54 PolarHBondContact O-OG1 3.01Å; F51-T54 PolarHBondContact O-N 2.8Å; F52-T54 PolarHBondContact O-N 2.95Å; T54-F56 VanDerWaalsContact C-N 3.33Å; T54-F56 PolarHBondContact O-N 3.34Å; T54-A57 WeakPolarHBondContact O-CB 3.1Å; T54-A57 PolarHBondContact O-N 3.12Å; T54-I58 HydrophobicContact CG2-CD1 4.2Å; T54-I58 WeakPolarHBondContact O-CG1 3.4Å; T54-I58 PolarHBondContact O-N 3.12Å; T54-W137 WeakPolarHBondContact OG1-CZ2 3.49Å; T54-C195 HydrophobicContact CG2-CB 4.28Å
55	I	96.8	Very high	93.9	Very high	64 Å²	64	48.1 Å²	48.1	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-58.5	-48.2	174.1	-69.8	173.4	0	0	0	110.1	F51 F52 A57 I58 I59	F51-I55 HydrophobicContact CD1-CD1 3.96Å; F51-I55 HydrophobicContact CE1-CD1 3.41Å; F51-I55 VanDerWaalsContact CE1-CD1 3.41Å; F51-I55 HydrophobicContact CE2-CD1 4.28Å; F51-I55 HydrophobicContact CZ-CD1 3.6Å; F51-I55 PolarHBondContact O-N 2.83Å; F52-I55 PolarHBondContact O-N 3.29Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.39Å; I55-I58 PolarHBondContact O-N 3.2Å; I55-I58 VanDerWaalsContact O-N 3.16Å; I55-I59 HydrophobicContact CG2-CD1 3.91Å; I55-I59 WeakPolarHBondContact O-CG1 2.88Å; I55-I59 PolarHBondContact O-N 3.35Å
56	F	97	Very high	93.8	Very high	58 Å²	58	43.9 Å²	43.9	25%	0.254	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-36.1	177.3	-63.8	-50.3	0	0	0	112.5	F52 T54 I58 I59 H60 T129 A132 Q133	F52-F56 HydrophobicContact CB-CD2 4.42Å; F52-F56 HydrophobicContact CB-CE2 4.02Å; F52-F56 WeakPolarHBondContact O-CD2 3.42Å; F52-F56 WeakPolarHBondContact O-CG 3.5Å; F52-F56 PolarHBondContact O-N 3.31Å; T54-F56 VanDerWaalsContact C-N 3.33Å; T54-F56 PolarHBondContact O-N 3.34Å; F56-I58 PolarHBondContact O-N 3.47Å; F56-I59 PolarHBondContact O-N 2.89Å; F56-H60 VanDerWaalsContact O-CB 3.24Å; F56-H60 WeakPolarHBondContact O-CB 3.22Å; F56-H60 PolarHBondContact O-N 2.96Å; F56-T129 HydrophobicContact CD1-CG2 4.14Å; F56-A132 HydrophobicContact CB-CB 4.4Å; F56-A132 HydrophobicContact CD1-CB 4.41Å; F56-A132 HydrophobicContact CD2-CB 3.42Å; F56-A132 VanDerWaalsContact CD2-CB 3.42Å; F56-A132 HydrophobicContact CE2-CB 3.67Å; F56-A132 HydrophobicContact CG-CB 3.84Å; F56-A132 HydrophobicContact CZ-CB 4.26Å; F56-Q133 HydrophobicContact CB-CB 4.09Å
57	A	96.4	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-42.6	172.8	0	0	0	0	0	112.8	G53 T54 I55 H60 G61 Q133 S192 C195 Q196	G53-A57 WeakPolarHBondContact O-CB 3.43Å; G53-A57 PolarHBondContact O-N 3.4Å; T54-A57 WeakPolarHBondContact O-CB 3.1Å; T54-A57 PolarHBondContact O-N 3.12Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.39Å; A57-H60 PolarHBondContact O-N 3.22Å; A57-G61 PolarHBondContact O-N 2.91Å; A57-Q133 HydrophobicContact CB-CG 3.77Å; A57-S192 WeakPolarHBondContact CB-O 3.37Å; A57-C195 HydrophobicContact CB-CB 4.14Å; A57-Q196 HydrophobicContact CB-CB 4.3Å; A57-Q196 WeakPolarHBondContact O-CA 3.3Å
58	I	96.6	Very high	93.6	Very high	84 Å²	84	38.6 Å²	38.6	43%	0.431	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-45.8	179.2	-67.7	165.9	0	0	0	110.5	T54 I55 F56 G61 A62 A199	T54-I58 HydrophobicContact CG2-CD1 4.2Å; T54-I58 WeakPolarHBondContact O-CG1 3.4Å; T54-I58 PolarHBondContact O-N 3.12Å; I55-I58 PolarHBondContact O-N 3.2Å; I55-I58 VanDerWaalsContact O-N 3.16Å; F56-I58 PolarHBondContact O-N 3.47Å; I58-G61 PolarHBondContact O-N 3.07Å; I58-A62 PolarHBondContact O-N 3.47Å; I58-A199 HydrophobicContact CB-CB 4.16Å; I58-A199 HydrophobicContact CG1-CB 4.23Å; I58-A199 HydrophobicContact CG2-CB 3.96Å
59	I	95.8	Very high	93.4	Very high	68 Å²	68	37.8 Å²	37.8	35%	0.349	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-46.2	177.7	-62.3	166.9	0	0	0	110.4	I55 F56 G61 A62 G63 L125 T129	I55-I59 HydrophobicContact CG2-CD1 3.91Å; I55-I59 WeakPolarHBondContact O-CG1 2.88Å; I55-I59 PolarHBondContact O-N 3.35Å; F56-I59 PolarHBondContact O-N 2.89Å; I59-G61 VanDerWaalsContact C-N 3.32Å; I59-G61 PolarHBondContact O-N 3.2Å; I59-A62 PolarHBondContact O-N 2.88Å; I59-G63 PolarHBondContact O-N 2.86Å; I59-L125 HydrophobicContact CG2-CD1 4.37Å; I59-L125 HydrophobicContact CG2-CD2 4.22Å; I59-L125 HydrophobicContact CG2-CG 4.36Å; I59-T129 HydrophobicContact CB-CG2 4.2Å; I59-T129 HydrophobicContact CG2-CG2 3.81Å
60	H	95.1	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-42.9	176.7	178.3	-157	0	0	0	111.5	F56 A57 A62 G63 S130 Q133 Q196	F56-H60 VanDerWaalsContact O-CB 3.24Å; F56-H60 WeakPolarHBondContact O-CB 3.22Å; F56-H60 PolarHBondContact O-N 2.96Å; A57-H60 PolarHBondContact O-N 3.22Å; H60-A62 PolarHBondContact O-N 3.41Å; H60-G63 PolarHBondContact O-N 3.38Å; H60-G63 VanDerWaalsContact O-N 3.13Å; H60-S130 VanDerWaalsContact CE1-CB 3.45Å; H60-S130 WeakPolarHBondContact CE1-CB 3.33Å; H60-Q133 PolarHBondContact ND1-OE1 3.3Å; H60-Q196 VanDerWaalsContact CE1-CD 3.43Å; H60-Q196 PolarHBondContact CE1-NE2 2.83Å; H60-Q196 PolarHBondContact CE1-OE1 3.19Å; H60-Q196 VanDerWaalsContact ND1-CD 3.29Å; H60-Q196 PolarHBondContact ND1-NE2 3.29Å; H60-Q196 PolarHBondContact ND1-OE1 3.21Å
61	G	93.7	Very high	92.9	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-41	176.9	0	0	0	0	0	113.3	A57 I58 I59 G63 P65 Q196 A200	A57-G61 PolarHBondContact O-N 2.91Å; I58-G61 PolarHBondContact O-N 3.07Å; I59-G61 VanDerWaalsContact C-N 3.32Å; I59-G61 PolarHBondContact O-N 3.2Å; G61-G63 PolarHBondContact O-N 3.49Å; G61-P65 WeakPolarHBondContact O-CD 3.1Å; G61-Q196 VanDerWaalsContact CA-O 3.3Å; G61-Q196 WeakPolarHBondContact CA-O 3.36Å; G61-A200 VanDerWaalsContact O-CA 3.27Å; G61-A200 WeakPolarHBondContact O-CA 3.37Å; G61-A200 WeakPolarHBondContact O-CB 3.46Å
62	A	93.3	Very high	92.5	Very high	24 Å²	24	31.3 Å²	31.3	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-68.8	-18.8	176.7	0	0	0	0	0	113.7	I58 I59 H60 W64 P65 T66	I58-A62 PolarHBondContact O-N 3.47Å; I59-A62 PolarHBondContact O-N 2.88Å; H60-A62 PolarHBondContact O-N 3.41Å; A62-W64 PolarHBondContact O-N 2.9Å; A62-P65 WeakPolarHBondContact O-CD 3.26Å; A62-T66 WeakPolarHBondContact O-CB 3.02Å; A62-T66 PolarHBondContact O-N 2.91Å; A62-T66 PolarHBondContact O-OG1 3.16Å
63	G	90.3	Very high	92.2	Very high	8 Å²	8	30.2 Å²	30.2	8%	0.082	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-44	-174.9	0	0	0	0	0	114.6	I59 H60 G61 L67	I59-G63 PolarHBondContact O-N 2.86Å; H60-G63 PolarHBondContact O-N 3.38Å; H60-G63 VanDerWaalsContact O-N 3.13Å; G61-G63 PolarHBondContact O-N 3.49Å; G63-L67 PolarHBondContact O-N 3Å
64	W	87	Confident	91.8	Very high	73 Å²	73	30.2 Å²	30.2	28%	0.277	16%	0.158	S	C	.	.	H	α-helix	trans	-67.6	-50.2	179.1	-82.9	107.1	0	0	0	112.9	A62 T66 L67 S68 A337 I905 F906 Y909	A62-W64 PolarHBondContact O-N 2.9Å; W64-T66 PolarHBondContact O-N 2.97Å; W64-L67 HydrophobicContact CE3-CD2 4.2Å; W64-L67 HydrophobicContact CZ3-CD2 4.1Å; W64-L67 VanDerWaalsContact O-CB 3.31Å; W64-L67 WeakPolarHBondContact O-CB 3.38Å; W64-L67 PolarHBondContact O-N 3.34Å; W64-S68 PolarHBondContact O-N 2.9Å; W64-A337 HydrophobicContact CB-CB 4.41Å; W64-I905 HydrophobicContact CH2-CD1 4.08Å; W64-I905 HydrophobicContact CH2-CG1 4.4Å; W64-I905 HydrophobicContact CH2-CG2 3.82Å; W64-I905 HydrophobicContact CZ2-CG2 3.77Å; W64-F906 AromaticContact CD2-CZ 3.95Å; W64-F906 HydrophobicContact CD2-CZ 3.95Å; W64-F906 AromaticContact CE2-CZ 3.73Å; W64-F906 HydrophobicContact CE3-CZ 4.25Å; W64-F906 HydrophobicContact CG-CZ 4.48Å; W64-F906 HydrophobicContact CH2-CZ 4.17Å; W64-F906 HydrophobicContact CZ2-CE2 4.05Å; W64-F906 AromaticContact CZ2-CZ 3.87Å; W64-F906 HydrophobicContact CZ2-CZ 3.87Å; W64-F906 HydrophobicContact CZ3-CZ 4.36Å; W64-Y909 HydrophobicContact CH2-CE2 4.37Å; W64-Y909 HydrophobicContact CZ3-CE2 4.29Å
65	P	91	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.7	-43.8	170.4	-33.9	41.1	0	0	0	114.3	G61 A62 L67 S68 A200 S203 I207 A337	G61-P65 WeakPolarHBondContact O-CD 3.1Å; A62-P65 WeakPolarHBondContact O-CD 3.26Å; P65-L67 VanDerWaalsContact C-N 3.25Å; P65-L67 PolarHBondContact O-N 3.45Å; P65-S68 VanDerWaalsContact O-CB 3.32Å; P65-S68 WeakPolarHBondContact O-CB 3.43Å; P65-S68 PolarHBondContact O-N 3.42Å; P65-S68 PolarHBondContact O-OG 3.05Å; P65-A200 WeakPolarHBondContact CG-O 3.45Å; P65-S203 WeakPolarHBondContact CG-OG 3.34Å; P65-I207 HydrophobicContact CB-CD1 3.77Å; P65-A337 HydrophobicContact CG-CB 4.37Å
66	T	90.2	Very high	90.3	Very high	59 Å²	59	26.1 Å²	26.1	36%	0.362	14%	0.136	S	C	.	.	H	α-helix	trans	-63.5	-33.7	178.1	-57.9	0	0	0	0	112	A62 W64 S68 I69	A62-T66 WeakPolarHBondContact O-CB 3.02Å; A62-T66 PolarHBondContact O-N 2.91Å; A62-T66 PolarHBondContact O-OG1 3.16Å; W64-T66 PolarHBondContact O-N 2.97Å; T66-S68 PolarHBondContact O-N 3.34Å; T66-I69 WeakPolarHBondContact O-CB 3.37Å; T66-I69 PolarHBondContact O-N 2.98Å
67	L	88.9	Confident	89.7	Confident	7 Å²	7	23.9 Å²	23.9	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-27.3	174.8	-160.9	72.3	0	0	0	112.9	G63 W64 P65 I69 I70 T71 Y119 I122 F906 Y909	G63-L67 PolarHBondContact O-N 3Å; W64-L67 HydrophobicContact CE3-CD2 4.2Å; W64-L67 HydrophobicContact CZ3-CD2 4.1Å; W64-L67 VanDerWaalsContact O-CB 3.31Å; W64-L67 WeakPolarHBondContact O-CB 3.38Å; W64-L67 PolarHBondContact O-N 3.34Å; P65-L67 VanDerWaalsContact C-N 3.25Å; P65-L67 PolarHBondContact O-N 3.45Å; L67-I69 PolarHBondContact O-N 3.09Å; L67-I70 PolarHBondContact O-N 3.46Å; L67-T71 WeakPolarHBondContact O-CB 3.2Å; L67-T71 PolarHBondContact O-N 2.91Å; L67-T71 PolarHBondContact O-OG1 2.94Å; L67-Y119 HydrophobicContact CD1-CD1 3.68Å; L67-Y119 HydrophobicContact CD1-CE1 3.5Å; L67-Y119 HydrophobicContact CD1-CG 4.5Å; L67-Y119 HydrophobicContact CD2-CE1 3.87Å; L67-Y119 HydrophobicContact CG-CD1 4.49Å; L67-Y119 HydrophobicContact CG-CE1 3.86Å; L67-I122 HydrophobicContact CD1-CD1 3.89Å; L67-I122 HydrophobicContact CD1-CG2 4.32Å; L67-F906 HydrophobicContact CB-CE1 4.49Å; L67-F906 HydrophobicContact CD1-CD1 3.99Å; L67-F906 HydrophobicContact CD1-CE1 4.02Å; L67-F906 HydrophobicContact CD2-CD1 3.93Å; L67-F906 HydrophobicContact CD2-CE1 3.55Å; L67-F906 HydrophobicContact CG-CE1 4.22Å; L67-Y909 HydrophobicContact CD2-CD2 4.35Å; L67-Y909 HydrophobicContact CD2-CE2 4.45Å
68	S	89.8	Confident	89	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-32.8	178.8	81.4	0	0	0	0	112	W64 P65 T66 T71 G72 T330 A334	W64-S68 PolarHBondContact O-N 2.9Å; P65-S68 VanDerWaalsContact O-CB 3.32Å; P65-S68 WeakPolarHBondContact O-CB 3.43Å; P65-S68 PolarHBondContact O-N 3.42Å; P65-S68 PolarHBondContact O-OG 3.05Å; T66-S68 PolarHBondContact O-N 3.34Å; S68-T71 PolarHBondContact O-N 3.21Å; S68-G72 PolarHBondContact O-N 3.43Å; S68-T330 WeakPolarHBondContact CB-O 3.11Å; S68-T330 PolarHBondContact O-OG1 2.92Å; S68-T330 PolarHBondContact OG-O 3.43Å; S68-T330 VanDerWaalsContact OG-O 3.07Å; S68-A334 WeakPolarHBondContact OG-CB 3.3Å
69	I	91.5	Very high	88	Confident	41 Å²	41	20.7 Å²	20.7	21%	0.21	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-51.2	177.9	-62.7	171.8	0	0	0	109.9	T66 L67 T71 G72 H73 I207 Y211 T330	T66-I69 WeakPolarHBondContact O-CB 3.37Å; T66-I69 PolarHBondContact O-N 2.98Å; L67-I69 PolarHBondContact O-N 3.09Å; I69-T71 VanDerWaalsContact C-N 3.28Å; I69-T71 PolarHBondContact O-N 3.47Å; I69-G72 PolarHBondContact O-N 3.18Å; I69-H73 PolarHBondContact O-CD2 2.84Å; I69-H73 PolarHBondContact O-N 2.87Å; I69-I207 HydrophobicContact CD1-CD1 4.02Å; I69-I207 HydrophobicContact CD1-CG1 4.27Å; I69-I207 HydrophobicContact CD1-CG2 4.05Å; I69-I207 HydrophobicContact CG1-CG2 3.84Å; I69-Y211 HydrophobicContact CD1-CE2 4.16Å; I69-Y211 HydrophobicContact CG1-CE2 3.9Å; I69-Y211 VanDerWaalsContact CG2-OH 3.26Å; I69-Y211 WeakPolarHBondContact CG2-OH 3.38Å; I69-T330 HydrophobicContact CB-CG2 4.39Å; I69-T330 HydrophobicContact CG1-CG2 3.85Å
70	I	90.4	Very high	87	Confident	20 Å²	20	22.2 Å²	22.2	10%	0.103	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-42.4	177.9	-65.8	157.1	0	0	0	110.1	L67 G72 H73 M74 Y115 F118 Y119 I122	L67-I70 PolarHBondContact O-N 3.46Å; I70-G72 VanDerWaalsContact C-N 3.32Å; I70-G72 PolarHBondContact O-N 2.81Å; I70-H73 PolarHBondContact O-N 2.96Å; I70-M74 VanDerWaalsContact O-CB 3.22Å; I70-M74 WeakPolarHBondContact O-CB 3.28Å; I70-M74 PolarHBondContact O-N 2.8Å; I70-Y115 HydrophobicContact CG2-CD1 4.18Å; I70-F118 HydrophobicContact CD1-CB 3.72Å; I70-F118 HydrophobicContact CD1-CG 4.42Å; I70-F118 HydrophobicContact CG1-CB 4.29Å; I70-F118 HydrophobicContact CG2-CB 4.5Å; I70-Y119 HydrophobicContact CG2-CD2 4.2Å; I70-Y119 HydrophobicContact CG2-CE2 3.8Å; I70-I122 HydrophobicContact CD1-CD1 3.22Å; I70-I122 HydrophobicContact CD1-CG1 4.46Å
71	T	85.9	Confident	86	Confident	10 Å²	10	22.6 Å²	22.6	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-42.6	177.2	-53.3	0	0	0	0	111.1	L67 S68 I69 T75 Y119 F333 Y931	L67-T71 WeakPolarHBondContact O-CB 3.2Å; L67-T71 PolarHBondContact O-N 2.91Å; L67-T71 PolarHBondContact O-OG1 2.94Å; S68-T71 PolarHBondContact O-N 3.21Å; I69-T71 VanDerWaalsContact C-N 3.28Å; I69-T71 PolarHBondContact O-N 3.47Å; T71-T75 WeakPolarHBondContact O-CB 3.18Å; T71-T75 PolarHBondContact O-N 3.45Å; T71-T75 PolarHBondContact O-OG1 2.79Å; T71-Y119 PolarHBondContact OG1-OH 3.48Å; T71-Y119 VanDerWaalsContact OG1-OH 3.08Å; T71-F333 HydrophobicContact CG2-CD2 4.13Å; T71-F333 HydrophobicContact CG2-CE2 4.08Å; T71-Y931 PolarHBondContact O-OH 3.02Å
72	G	86.5	Confident	85	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-48.7	177.3	0	0	0	0	0	113.1	S68 I69 I70 M74 T75 D76 G326 T330	S68-G72 PolarHBondContact O-N 3.43Å; I69-G72 PolarHBondContact O-N 3.18Å; I70-G72 VanDerWaalsContact C-N 3.32Å; I70-G72 PolarHBondContact O-N 2.81Å; G72-M74 VanDerWaalsContact C-N 3.34Å; G72-M74 PolarHBondContact O-N 2.82Å; G72-T75 WeakPolarHBondContact O-CB 3.49Å; G72-T75 PolarHBondContact O-N 2.81Å; G72-T75 VanDerWaalsContact O-N 3.15Å; G72-D76 PolarHBondContact O-N 2.84Å; G72-G326 WeakPolarHBondContact CA-O 3.41Å; G72-G326 WeakPolarHBondContact O-CA 3.43Å; G72-T330 WeakPolarHBondContact CA-OG1 3.28Å
73	H	88.5	Confident	83.6	Confident	76 Å²	76	25.9 Å²	25.9	35%	0.352	13%	0.127	S	C	.	.	H	α-helix	trans	-62.6	-40	177.3	-75.3	-66.3	0	0	0	112.9	I69 I70 T75 D76 T77 Y115	I69-H73 PolarHBondContact O-CD2 2.84Å; I69-H73 PolarHBondContact O-N 2.87Å; I70-H73 PolarHBondContact O-N 2.96Å; H73-T75 VanDerWaalsContact C-N 3.35Å; H73-D76 WeakPolarHBondContact O-CB 3.47Å; H73-D76 PolarHBondContact O-N 3.47Å; H73-T77 PolarHBondContact O-N 3.19Å; H73-T77 VanDerWaalsContact O-N 3.1Å; H73-T77 PolarHBondContact O-OG1 2.86Å; H73-Y115 HydrophobicContact CB-CE1 4Å
74	M	86.2	Confident	82.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-41.4	174.1	-177.7	179.3	70.5	0	0	111	I70 G72 D76 T77 F78 I112 Y115 Y119 F913 Y931	I70-M74 VanDerWaalsContact O-CB 3.22Å; I70-M74 WeakPolarHBondContact O-CB 3.28Å; I70-M74 PolarHBondContact O-N 2.8Å; G72-M74 VanDerWaalsContact C-N 3.34Å; G72-M74 PolarHBondContact O-N 2.82Å; M74-D76 VanDerWaalsContact C-N 3.29Å; M74-D76 PolarHBondContact O-N 2.98Å; M74-T77 WeakPolarHBondContact O-CB 3.45Å; M74-T77 PolarHBondContact O-N 3.23Å; M74-T77 VanDerWaalsContact O-N 3.09Å; M74-F78 HydrophobicContact CG-CD2 3.81Å; M74-F78 HydrophobicContact CG-CE2 3.7Å; M74-F78 WeakPolarHBondContact O-CD2 3.42Å; M74-F78 PolarHBondContact O-N 2.87Å; M74-F78 HydrophobicContact SD-CE2 4.24Å; M74-I112 HydrophobicContact CG-CD1 4.3Å; M74-Y115 HydrophobicContact CB-CD2 3.85Å; M74-Y115 HydrophobicContact CB-CE2 4.21Å; M74-Y115 HydrophobicContact CB-CG 4.18Å; M74-Y115 HydrophobicContact CG-CD2 4.02Å; M74-Y119 HydrophobicContact CE-CE2 4.17Å; M74-Y119 HydrophobicContact SD-CE2 4.04Å; M74-F913 HydrophobicContact CE-CD1 3.7Å; M74-F913 HydrophobicContact CE-CD2 3.72Å; M74-F913 HydrophobicContact CE-CE1 3.29Å; M74-F913 HydrophobicContact CE-CE2 3.3Å; M74-F913 HydrophobicContact CE-CG 3.92Å; M74-F913 HydrophobicContact CE-CZ 3.06Å; M74-F913 HydrophobicContact SD-CB 4.25Å; M74-F913 HydrophobicContact SD-CD1 3.71Å; M74-F913 HydrophobicContact SD-CD2 3.84Å; M74-F913 HydrophobicContact SD-CE1 3.97Å; M74-F913 HydrophobicContact SD-CE2 4.07Å; M74-F913 HydrophobicContact SD-CG 3.66Å; M74-F913 HydrophobicContact SD-CZ 4.14Å; M74-Y931 VanDerWaalsContact CE-OH 3.26Å; M74-Y931 WeakPolarHBondContact CE-OH 3.39Å
75	T	81.4	Confident	80.8	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-46.1	175.7	-48.7	0	0	0	0	110.3	T71 G72 H73 T77 F78 I79 F329 F710 Y931	T71-T75 WeakPolarHBondContact O-CB 3.18Å; T71-T75 PolarHBondContact O-N 3.45Å; T71-T75 PolarHBondContact O-OG1 2.79Å; G72-T75 WeakPolarHBondContact O-CB 3.49Å; G72-T75 PolarHBondContact O-N 2.81Å; G72-T75 VanDerWaalsContact O-N 3.15Å; H73-T75 VanDerWaalsContact C-N 3.35Å; T75-T77 VanDerWaalsContact C-N 3.26Å; T75-T77 PolarHBondContact O-N 3.28Å; T75-F78 PolarHBondContact O-N 3.31Å; T75-I79 HydrophobicContact CG2-CD1 4.07Å; T75-I79 HydrophobicContact CG2-CG1 4.43Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.42Å; T75-I79 PolarHBondContact O-N 3.03Å; T75-F329 HydrophobicContact CG2-CD2 3.81Å; T75-F329 HydrophobicContact CG2-CE2 3.94Å; T75-F329 HydrophobicContact CG2-CG 4.21Å; T75-F329 HydrophobicContact CG2-CZ 4.43Å; T75-F710 HydrophobicContact CG2-CE1 4.14Å; T75-F710 HydrophobicContact CG2-CZ 3.75Å; T75-Y931 WeakPolarHBondContact CA-OH 3.4Å; T75-Y931 WeakPolarHBondContact CB-OH 3.3Å; T75-Y931 HydrophobicContact CG2-CE1 4.48Å; T75-Y931 HydrophobicContact CG2-CE2 4.39Å; T75-Y931 PolarHBondContact N-OH 2.93Å; T75-Y931 VanDerWaalsContact N-OH 3.09Å; T75-Y931 PolarHBondContact OG1-OH 3.34Å
76	D	80.7	Confident	79.4	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-40.6	177.4	-160.1	71.5	0	0	0	111.9	G72 H73 M74 I79 R80 R325 G326	G72-D76 PolarHBondContact O-N 2.84Å; H73-D76 WeakPolarHBondContact O-CB 3.47Å; H73-D76 PolarHBondContact O-N 3.47Å; M74-D76 VanDerWaalsContact C-N 3.29Å; M74-D76 PolarHBondContact O-N 2.98Å; D76-I79 PolarHBondContact O-N 3.45Å; D76-R80 VanDerWaalsContact O-CG 3.3Å; D76-R80 WeakPolarHBondContact O-CG 3.46Å; D76-R80 PolarHBondContact O-N 3.08Å; D76-R80 IonicContact OD2-CZ 3.14Å; D76-R80 IonicContact OD2-NE 2.87Å; D76-R80 PolarHBondContact OD2-NE 2.91Å; D76-R80 IonicContact OD2-NH2 2.66Å; D76-R80 PolarHBondContact OD2-NH2 3.28Å; D76-R325 PolarHBondContact OD1-N 3.08Å; D76-G326 PolarHBondContact OD1-N 3.3Å
77	T	84.4	Confident	77.6	Confident	11 Å²	11	32.8 Å²	32.8	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-43.2	177.3	-54	0	0	0	0	112.4	H73 M74 T75 R80 A81 I103 F108 A111 Y115	H73-T77 PolarHBondContact O-N 3.19Å; H73-T77 VanDerWaalsContact O-N 3.1Å; H73-T77 PolarHBondContact O-OG1 2.86Å; M74-T77 WeakPolarHBondContact O-CB 3.45Å; M74-T77 PolarHBondContact O-N 3.23Å; M74-T77 VanDerWaalsContact O-N 3.09Å; T75-T77 VanDerWaalsContact C-N 3.26Å; T75-T77 PolarHBondContact O-N 3.28Å; T77-R80 PolarHBondContact O-N 3.33Å; T77-A81 PolarHBondContact O-N 3.44Å; T77-A81 VanDerWaalsContact O-N 3.08Å; T77-I103 HydrophobicContact CG2-CD1 3.94Å; T77-F108 HydrophobicContact CG2-CD2 3.93Å; T77-F108 HydrophobicContact CG2-CE2 4.38Å; T77-A111 HydrophobicContact CG2-CB 3.86Å; T77-Y115 WeakPolarHBondContact OG1-CE2 3.24Å
78	F	81.5	Confident	75.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-36.7	175.8	-86.1	-86.7	0	0	0	112.5	M74 T75 A81 Q82 F108 I112 F913 V920 P927 V930 Y931	M74-F78 HydrophobicContact CG-CD2 3.81Å; M74-F78 HydrophobicContact CG-CE2 3.7Å; M74-F78 WeakPolarHBondContact O-CD2 3.42Å; M74-F78 PolarHBondContact O-N 2.87Å; M74-F78 HydrophobicContact SD-CE2 4.24Å; T75-F78 PolarHBondContact O-N 3.31Å; F78-A81 PolarHBondContact O-N 3.47Å; F78-Q82 PolarHBondContact O-N 3.2Å; F78-Q82 VanDerWaalsContact O-N 3.14Å; F78-F108 AromaticContact CD1-CE2 3.99Å; F78-F108 HydrophobicContact CD1-CE2 3.99Å; F78-F108 AromaticContact CD1-CZ 3.95Å; F78-F108 HydrophobicContact CD1-CZ 3.95Å; F78-F108 HydrophobicContact CE1-CE2 4.11Å; F78-F108 AromaticContact CE1-CZ 3.65Å; F78-F108 HydrophobicContact CE1-CZ 3.65Å; F78-F108 HydrophobicContact CG-CE2 4.2Å; F78-F108 HydrophobicContact CZ-CE2 4.45Å; F78-F108 HydrophobicContact CZ-CZ 4.03Å; F78-I112 HydrophobicContact CD2-CD1 3.95Å; F78-I112 HydrophobicContact CE2-CD1 3.28Å; F78-I112 HydrophobicContact CE2-CG1 4.48Å; F78-I112 HydrophobicContact CZ-CD1 3.67Å; F78-I112 HydrophobicContact CZ-CG1 4.46Å; F78-F913 HydrophobicContact CE2-CD1 4.28Å; F78-F913 HydrophobicContact CZ-CD1 4.41Å; F78-V920 HydrophobicContact CE1-CG2 4.44Å; F78-P927 HydrophobicContact CD1-CB 3.95Å; F78-P927 WeakPolarHBondContact CD1-O 3.12Å; F78-V930 HydrophobicContact CE1-CB 4.02Å; F78-V930 HydrophobicContact CE1-CG1 4.13Å; F78-V930 HydrophobicContact CE1-CG2 4.1Å; F78-V930 HydrophobicContact CZ-CB 4.49Å; F78-V930 HydrophobicContact CZ-CG1 4.1Å; F78-Y931 HydrophobicContact CB-CD2 3.96Å; F78-Y931 HydrophobicContact CB-CE2 3.81Å; F78-Y931 HydrophobicContact CD1-CD2 4.32Å; F78-Y931 HydrophobicContact CD2-CD2 4.04Å; F78-Y931 AromaticContact CD2-CE2 3.47Å; F78-Y931 HydrophobicContact CD2-CE2 3.47Å; F78-Y931 VanDerWaalsContact CD2-CE2 3.47Å; F78-Y931 HydrophobicContact CE2-CE2 4.1Å; F78-Y931 AromaticContact CG-CD2 3.88Å; F78-Y931 HydrophobicContact CG-CD2 3.88Å; F78-Y931 AromaticContact CG-CE2 3.71Å; F78-Y931 HydrophobicContact CG-CE2 3.71Å
79	I	75.4	Confident	73.2	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.082	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-45.2	174.3	-65.9	165.2	0	0	0	110.3	T75 D76 A81 Q82 I83 R325 F710	T75-I79 HydrophobicContact CG2-CD1 4.07Å; T75-I79 HydrophobicContact CG2-CG1 4.43Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.42Å; T75-I79 PolarHBondContact O-N 3.03Å; D76-I79 PolarHBondContact O-N 3.45Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3Å; I79-Q82 WeakPolarHBondContact O-CB 3.4Å; I79-Q82 PolarHBondContact O-N 3.31Å; I79-I83 HydrophobicContact CG2-CD1 4.02Å; I79-I83 WeakPolarHBondContact O-CG1 3.43Å; I79-I83 PolarHBondContact O-N 3.19Å; I79-R325 HydrophobicContact CD1-CB 4.21Å; I79-F710 HydrophobicContact CD1-CD1 3.88Å; I79-F710 HydrophobicContact CD1-CE1 3.42Å; I79-F710 VanDerWaalsContact CD1-CE1 3.42Å; I79-F710 HydrophobicContact CD1-CZ 4.24Å; I79-F710 HydrophobicContact CG1-CD1 4Å; I79-F710 HydrophobicContact CG1-CE1 3.71Å; I79-F710 HydrophobicContact CG1-CZ 4.23Å
80	R	74.4	Confident	71	Confident	100 Å²	100	46.6 Å²	46.6	38%	0.377	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-41.9	178	-69.5	175.2	-161.8	-153.2	4.1	112.1	D76 T77 Q82 I83 T84 L100 I103	D76-R80 VanDerWaalsContact O-CG 3.3Å; D76-R80 WeakPolarHBondContact O-CG 3.46Å; D76-R80 PolarHBondContact O-N 3.08Å; D76-R80 IonicContact OD2-CZ 3.14Å; D76-R80 IonicContact OD2-NE 2.87Å; D76-R80 PolarHBondContact OD2-NE 2.91Å; D76-R80 IonicContact OD2-NH2 2.66Å; D76-R80 PolarHBondContact OD2-NH2 3.28Å; T77-R80 PolarHBondContact O-N 3.33Å; R80-Q82 VanDerWaalsContact C-N 3.29Å; R80-Q82 PolarHBondContact O-N 3.18Å; R80-I83 PolarHBondContact O-N 3.45Å; R80-T84 PolarHBondContact O-OG1 3.41Å; R80-L100 HydrophobicContact CG-CD2 3.73Å; R80-I103 HydrophobicContact CB-CB 4.45Å; R80-I103 HydrophobicContact CB-CG2 4.11Å
81	A	75.7	Confident	68.5	Low	9 Å²	9	50.7 Å²	50.7	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-31.9	177.4	0	0	0	0	0	113.1	T77 F78 I79 I83 T84 T87 I103 F108 P927	T77-A81 PolarHBondContact O-N 3.44Å; T77-A81 VanDerWaalsContact O-N 3.08Å; F78-A81 PolarHBondContact O-N 3.47Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3Å; A81-I83 VanDerWaalsContact C-N 3.33Å; A81-T84 WeakPolarHBondContact CA-OG1 3.46Å; A81-T84 PolarHBondContact O-N 3.08Å; A81-T84 PolarHBondContact O-OG1 3.24Å; A81-T84 VanDerWaalsContact O-OG1 3.09Å; A81-T87 PolarHBondContact O-OG1 3.44Å; A81-I103 HydrophobicContact CB-CG2 4.12Å; A81-F108 HydrophobicContact CB-CD2 3.64Å; A81-F108 HydrophobicContact CB-CE2 3.85Å; A81-F108 HydrophobicContact CB-CG 4.32Å; A81-P927 HydrophobicContact CB-CB 4.47Å; A81-P927 HydrophobicContact CB-CG 4.18Å
82	Q	71.7	Confident	66.6	Low	29 Å²	29	55.3 Å²	55.3	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-72.1	-26.3	177.8	-173.3	64.6	54.9	0	0	113.2	F78 I79 R80 T84 Y711 P927 L928	F78-Q82 PolarHBondContact O-N 3.2Å; F78-Q82 VanDerWaalsContact O-N 3.14Å; I79-Q82 WeakPolarHBondContact O-CB 3.4Å; I79-Q82 PolarHBondContact O-N 3.31Å; R80-Q82 VanDerWaalsContact C-N 3.29Å; R80-Q82 PolarHBondContact O-N 3.18Å; Q82-T84 VanDerWaalsContact C-N 3.33Å; Q82-Y711 WeakPolarHBondContact CG-OH 3.48Å; Q82-P927 HydrophobicContact CB-CB 4.31Å; Q82-P927 HydrophobicContact CB-CG 4.37Å; Q82-P927 VanDerWaalsContact OE1-CD 3.29Å; Q82-L928 HydrophobicContact CB-CG 4.48Å; Q82-L928 HydrophobicContact CG-CD1 3.84Å; Q82-L928 HydrophobicContact CG-CG 4.05Å
83	I	65.3	Low	64.5	Low	65 Å²	65	59.9 Å²	59.9	33%	0.333	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.7	-179	-61.4	166.6	0	0	0	111.1	I79 R80 A81	I79-I83 HydrophobicContact CG2-CD1 4.02Å; I79-I83 WeakPolarHBondContact O-CG1 3.43Å; I79-I83 PolarHBondContact O-N 3.19Å; R80-I83 PolarHBondContact O-N 3.45Å; A81-I83 VanDerWaalsContact C-N 3.33Å
84	T	64.4	Low	62.4	Low	15 Å²	15	63.3 Å²	63.3	9%	0.092	34%	0.34	C	S	.	.	S	Bend	trans	-94.8	141.2	-176	6.3	0	0	0	0	113.1	R80 A81 Q82 F86 T87 Q102	R80-T84 PolarHBondContact O-OG1 3.41Å; A81-T84 WeakPolarHBondContact CA-OG1 3.46Å; A81-T84 PolarHBondContact O-N 3.08Å; A81-T84 PolarHBondContact O-OG1 3.24Å; A81-T84 VanDerWaalsContact O-OG1 3.09Å; Q82-T84 VanDerWaalsContact C-N 3.33Å; T84-F86 PolarHBondContact O-N 2.93Å; T84-T87 PolarHBondContact O-N 3.18Å; T84-T87 PolarHBondContact O-OG1 2.94Å; T84-Q102 HydrophobicContact CG2-CB 3.33Å; T84-Q102 HydrophobicContact CG2-CG 3.55Å
85	D	52.9	Low	60.3	Low	117 Å²	117	71 Å²	71	63%	0.626	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-58.6	-18.5	-166.9	-74.9	-35.9	0	0	0	116	T87 S88	D85-T87 PolarHBondContact O-N 3.12Å; D85-T87 VanDerWaalsContact O-N 3.07Å; D85-S88 PolarHBondContact O-N 3.04Å
86	F	61.1	Low	58.7	Low	117 Å²	117	74.4 Å²	74.4	51%	0.513	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-63.5	-14	176.3	173.4	-104.9	0	0	0	113.6	T84 V105	T84-F86 PolarHBondContact O-N 2.93Å; F86-V105 HydrophobicContact CB-CG2 4.34Å; F86-V105 HydrophobicContact CD1-CG2 3.61Å; F86-V105 HydrophobicContact CD2-CG2 4.29Å; F86-V105 HydrophobicContact CE1-CG2 3.94Å; F86-V105 HydrophobicContact CG-CG2 3.8Å; F86-V105 HydrophobicContact CZ-CG2 4.41Å
87	T	52.2	Low	56.9	Low	36 Å²	36	77.6 Å²	77.6	22%	0.221	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-113.2	-4.9	-177.9	58.5	0	0	0	0	115.8	A81 T84 D85 P927	A81-T87 PolarHBondContact O-OG1 3.44Å; T84-T87 PolarHBondContact O-N 3.18Å; T84-T87 PolarHBondContact O-OG1 2.94Å; D85-T87 PolarHBondContact O-N 3.12Å; D85-T87 VanDerWaalsContact O-N 3.07Å; T87-P927 HydrophobicContact CG2-CG 4.14Å
88	S	46.8	Very low	55.2	Low	41 Å²	41	82.3 Å²	82.3	29%	0.287	46%	0.458	S	S	.	.			trans	-154	119.4	-179.3	56.1	0	0	0	0	115.3	D85 I90	D85-S88 PolarHBondContact O-N 3.04Å; S88-I90 PolarHBondContact O-N 3.43Å
89	N	41.2	Very low	53.6	Low	180 Å²	180	88 Å²	88	96%	0.963	49%	0.493	S	S	*	.			trans	-70.6	28.4	162	-94.9	-9	0	0	0	113.2
90	I	44.2	Very low	52.4	Low	120 Å²	120	89.3 Å²	89.3	62%	0.615	50%	0.5	S	S	*	.			trans	-115.5	105.2	-172	-57.6	177.9	0	0	0	110	S88 C92	S88-I90 PolarHBondContact O-N 3.43Å; I90-C92 HydrophobicContact CG2-CB 4.16Å; I90-C92 PolarHBondContact O-N 3.37Å
91	S	38.9	Very low	51.5	Low	107 Å²	107	94.7 Å²	94.7	75%	0.748	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	18.4	-178.9	43.1	0	0	0	0	115.9
92	C	44.4	Very low	50.9	Low	106 Å²	106	100 Å²	100	72%	0.716	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	2.9	-172.1	87.9	0	0	0	0	116	I90	I90-C92 HydrophobicContact CG2-CB 4.16Å; I90-C92 PolarHBondContact O-N 3.37Å
93	L	43.4	Very low	51	Low	98 Å²	98	100.1 Å²	100.1	51%	0.513	55%	0.545	S	S	.	.			trans	-114.1	15.8	-177.7	-93.9	159.3	0	0	0	114.5	N95 V96	L93-N95 PolarHBondContact O-N 3.02Å; L93-N95 VanDerWaalsContact O-N 3.12Å; L93-V96 HydrophobicContact CD2-CG2 4.36Å; L93-V96 PolarHBondContact O-N 3.06Å
94	Q	43.4	Very low	51.6	Low	147 Å²	147	100.6 Å²	100.6	69%	0.687	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-61.7	-20.5	-179.8	-87.9	-177.6	-28	0	0	114.3	V96 S97	Q94-V96 PolarHBondContact O-N 3.3Å; Q94-S97 PolarHBondContact O-OG 2.9Å
95	N	43.2	Very low	52.2	Low	162 Å²	162	102.4 Å²	102.4	87%	0.866	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-83	-2.8	-176.8	-77.1	-5.3	0	0	0	115.5	L93	L93-N95 PolarHBondContact O-N 3.02Å; L93-N95 VanDerWaalsContact O-N 3.12Å
96	V	47.2	Very low	53.6	Low	74 Å²	74	103.6 Å²	103.6	45%	0.448	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-114.4	8.1	178.6	-169.8	0	0	0	0	111.7	L93 Q94 S98	L93-V96 HydrophobicContact CD2-CG2 4.36Å; L93-V96 PolarHBondContact O-N 3.06Å; Q94-V96 PolarHBondContact O-N 3.3Å; V96-S98 PolarHBondContact O-N 3.21Å
97	S	44.2	Very low	54.7	Low	79 Å²	79	102.4 Å²	102.4	55%	0.552	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-9.9	-169.8	59.8	0	0	0	0	115	Q94 T99	Q94-S97 PolarHBondContact O-OG 2.9Å; S97-T99 PolarHBondContact O-N 3.02Å
98	S	46.9	Very low	56.4	Low	111 Å²	111	100.9 Å²	100.9	78%	0.776	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	-169.6	57.2	0	0	0	0	116	V96	V96-S98 PolarHBondContact O-N 3.21Å
99	T	48.9	Very low	58.2	Low	118 Å²	118	101.2 Å²	101.2	72%	0.724	55%	0.553	S	S	*	*	S	Bend	trans	-126.3	-7.2	-174.6	39.8	0	0	0	0	116.1	S97	S97-T99 PolarHBondContact O-N 3.02Å
100	L	51	Low	60.5	Low	44 Å²	44	94.4 Å²	94.4	23%	0.23	52%	0.522	C	S	.	.	S	Bend	trans	-117.9	117.6	-176.3	-99.8	124.4	0	0	0	112.5	R80 Q102	R80-L100 HydrophobicContact CG-CD2 3.73Å; L100-Q102 PolarHBondContact O-N 2.9Å
101	R	55.3	Low	62.6	Low	213 Å²	213	89.5 Å²	89.5	80%	0.804	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-58.9	118.6	173.4	-163.1	178.5	-173.5	178.7	1.3	109.8
102	Q	61.9	Low	65.1	Low	121 Å²	121	84.5 Å²	84.5	57%	0.565	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.4	133.2	172.7	-75.9	-171.3	-17.7	0	0	110.1	T84 L100	T84-Q102 HydrophobicContact CG2-CB 3.33Å; T84-Q102 HydrophobicContact CG2-CG 3.55Å; L100-Q102 PolarHBondContact O-N 2.9Å
103	I	73.5	Confident	67.3	Low	31 Å²	31	86.3 Å²	86.3	16%	0.159	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-98	134.3	-179.1	-163.3	170	0	0	0	110.4	T77 R80 A81 E107 F108	T77-I103 HydrophobicContact CG2-CD1 3.94Å; R80-I103 HydrophobicContact CB-CB 4.45Å; R80-I103 HydrophobicContact CB-CG2 4.11Å; A81-I103 HydrophobicContact CB-CG2 4.12Å; I103-E107 HydrophobicContact CD1-CB 4.28Å; I103-E107 HydrophobicContact CG1-CB 3.71Å; I103-F108 HydrophobicContact CD1-CB 4.37Å
104	T	78.3	Confident	69.6	Low	75 Å²	75	85.6 Å²	85.6	46%	0.46	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-78.2	156.7	175.5	61.3	0	0	0	0	111.4	I106 E107 F108	T104-I106 PolarHBondContact O-N 3.36Å; T104-E107 PolarHBondContact N-OE2 3.37Å; T104-E107 PolarHBondContact O-N 3.44Å; T104-E107 WeakPolarHBondContact OG1-CB 3.31Å; T104-E107 VanDerWaalsContact OG1-CD 3.26Å; T104-E107 WeakPolarHBondContact OG1-CG 3.42Å; T104-E107 PolarHBondContact OG1-N 2.97Å; T104-E107 PolarHBondContact OG1-OE2 3.22Å; T104-F108 PolarHBondContact O-N 2.82Å
105	V	78.4	Confident	71.9	Confident	54 Å²	54	80.7 Å²	80.7	33%	0.327	43%	0.427	S	S	.	.	H	α-helix	trans	-57.2	-36.3	176.2	179.7	0	0	0	0	111.2	F86 F108 V109	F86-V105 HydrophobicContact CB-CG2 4.34Å; F86-V105 HydrophobicContact CD1-CG2 3.61Å; F86-V105 HydrophobicContact CD2-CG2 4.29Å; F86-V105 HydrophobicContact CE1-CG2 3.94Å; F86-V105 HydrophobicContact CG-CG2 3.8Å; F86-V105 HydrophobicContact CZ-CG2 4.41Å; V105-F108 PolarHBondContact O-N 2.98Å; V105-V109 HydrophobicContact CG1-CG2 4.36Å; V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.49Å; V105-V109 PolarHBondContact O-N 3.19Å
106	I	81.8	Confident	74.2	Confident	141 Å²	141	73.9 Å²	73.9	72%	0.723	39%	0.392	S	S	*	.	H	α-helix	trans	-66	-47.4	178.6	-61.6	169.3	0	0	0	110.8	T104 F108 V109 A110	T104-I106 PolarHBondContact O-N 3.36Å; I106-F108 VanDerWaalsContact C-N 3.34Å; I106-F108 PolarHBondContact O-N 2.89Å; I106-V109 PolarHBondContact O-N 3.35Å; I106-A110 VanDerWaalsContact O-CB 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.09Å; I106-A110 PolarHBondContact O-N 3.38Å
107	E	84.3	Confident	76.4	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-40.6	176.8	-73.4	167.9	151.3	0	0	111.7	I103 T104 A110 A111	I103-E107 HydrophobicContact CD1-CB 4.28Å; I103-E107 HydrophobicContact CG1-CB 3.71Å; T104-E107 PolarHBondContact N-OE2 3.37Å; T104-E107 PolarHBondContact O-N 3.44Å; T104-E107 WeakPolarHBondContact OG1-CB 3.31Å; T104-E107 VanDerWaalsContact OG1-CD 3.26Å; T104-E107 WeakPolarHBondContact OG1-CG 3.42Å; T104-E107 PolarHBondContact OG1-N 2.97Å; T104-E107 PolarHBondContact OG1-OE2 3.22Å; E107-A110 PolarHBondContact O-N 3.24Å; E107-A111 WeakPolarHBondContact O-CB 3.25Å; E107-A111 PolarHBondContact O-N 3.18Å
108	F	86.5	Confident	78.7	Confident	5 Å²	5	75.3 Å²	75.3	2%	0.022	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-53.2	175.5	174.7	-100.8	0	0	0	111.5	T77 F78 A81 I103 T104 V105 I106 A110 A111 I112 V920	T77-F108 HydrophobicContact CG2-CD2 3.93Å; T77-F108 HydrophobicContact CG2-CE2 4.38Å; F78-F108 AromaticContact CD1-CE2 3.99Å; F78-F108 HydrophobicContact CD1-CE2 3.99Å; F78-F108 AromaticContact CD1-CZ 3.95Å; F78-F108 HydrophobicContact CD1-CZ 3.95Å; F78-F108 HydrophobicContact CE1-CE2 4.11Å; F78-F108 AromaticContact CE1-CZ 3.65Å; F78-F108 HydrophobicContact CE1-CZ 3.65Å; F78-F108 HydrophobicContact CG-CE2 4.2Å; F78-F108 HydrophobicContact CZ-CE2 4.45Å; F78-F108 HydrophobicContact CZ-CZ 4.03Å; A81-F108 HydrophobicContact CB-CD2 3.64Å; A81-F108 HydrophobicContact CB-CE2 3.85Å; A81-F108 HydrophobicContact CB-CG 4.32Å; I103-F108 HydrophobicContact CD1-CB 4.37Å; T104-F108 PolarHBondContact O-N 2.82Å; V105-F108 PolarHBondContact O-N 2.98Å; I106-F108 VanDerWaalsContact C-N 3.34Å; I106-F108 PolarHBondContact O-N 2.89Å; F108-A110 VanDerWaalsContact C-N 3.28Å; F108-A110 PolarHBondContact O-N 3.21Å; F108-A111 PolarHBondContact O-N 3.37Å; F108-I112 HydrophobicContact CD1-CG1 4.38Å; F108-I112 HydrophobicContact CD2-CG1 4.33Å; F108-I112 HydrophobicContact CE1-CG1 3.95Å; F108-I112 HydrophobicContact CE2-CD1 3.95Å; F108-I112 HydrophobicContact CE2-CG1 3.89Å; F108-I112 HydrophobicContact CZ-CD1 4.03Å; F108-I112 HydrophobicContact CZ-CG1 3.68Å; F108-I112 WeakPolarHBondContact O-CG1 3.45Å; F108-I112 PolarHBondContact O-N 3.48Å; F108-V920 HydrophobicContact CD1-CG1 4.39Å; F108-V920 HydrophobicContact CE1-CB 3.9Å; F108-V920 HydrophobicContact CE1-CG1 3.62Å; F108-V920 HydrophobicContact CZ-CB 4.2Å; F108-V920 HydrophobicContact CZ-CG1 3.83Å
109	V	85.4	Confident	80.8	Confident	48 Å²	48	70.1 Å²	70.1	29%	0.291	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-37.4	-179.5	173.4	0	0	0	0	111.3	V105 I106 R113	V105-V109 HydrophobicContact CG1-CG2 4.36Å; V105-V109 VanDerWaalsContact O-CG2 3.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.49Å; V105-V109 PolarHBondContact O-N 3.19Å; I106-V109 PolarHBondContact O-N 3.35Å; V109-R113 WeakPolarHBondContact O-CB 3.3Å; V109-R113 PolarHBondContact O-N 2.88Å
110	A	88.8	Confident	83	Confident	36 Å²	36	67.3 Å²	67.3	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.3	0	0	0	0	0	112.1	I106 E107 F108 R113 I114	I106-A110 VanDerWaalsContact O-CB 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.09Å; I106-A110 PolarHBondContact O-N 3.38Å; E107-A110 PolarHBondContact O-N 3.24Å; F108-A110 VanDerWaalsContact C-N 3.28Å; F108-A110 PolarHBondContact O-N 3.21Å; A110-R113 WeakPolarHBondContact O-CB 3.36Å; A110-R113 PolarHBondContact O-N 3.38Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.3Å
111	A	89.7	Confident	85	Confident	18 Å²	18	70 Å²	70	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-46.9	176.9	0	0	0	0	0	111.7	T77 E107 F108 R113 I114 Y115	T77-A111 HydrophobicContact CG2-CB 3.86Å; E107-A111 WeakPolarHBondContact O-CB 3.25Å; E107-A111 PolarHBondContact O-N 3.18Å; F108-A111 PolarHBondContact O-N 3.37Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 3.29Å; A111-I114 PolarHBondContact O-N 3.03Å; A111-I114 VanDerWaalsContact O-N 3.11Å; A111-Y115 HydrophobicContact CB-CE2 4.01Å; A111-Y115 WeakPolarHBondContact O-CD2 3.31Å; A111-Y115 PolarHBondContact O-N 3.3Å
112	I	89.8	Confident	86.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-39.2	175.9	-62.2	-52.6	0	0	0	111.4	M74 F78 F108 Y115 T116 F913	M74-I112 HydrophobicContact CG-CD1 4.3Å; F78-I112 HydrophobicContact CD2-CD1 3.95Å; F78-I112 HydrophobicContact CE2-CD1 3.28Å; F78-I112 HydrophobicContact CE2-CG1 4.48Å; F78-I112 HydrophobicContact CZ-CD1 3.67Å; F78-I112 HydrophobicContact CZ-CG1 4.46Å; F108-I112 HydrophobicContact CD1-CG1 4.38Å; F108-I112 HydrophobicContact CD2-CG1 4.33Å; F108-I112 HydrophobicContact CE1-CG1 3.95Å; F108-I112 HydrophobicContact CE2-CD1 3.95Å; F108-I112 HydrophobicContact CE2-CG1 3.89Å; F108-I112 HydrophobicContact CZ-CD1 4.03Å; F108-I112 HydrophobicContact CZ-CG1 3.68Å; F108-I112 WeakPolarHBondContact O-CG1 3.45Å; F108-I112 PolarHBondContact O-N 3.48Å; I112-Y115 PolarHBondContact O-N 3.24Å; I112-T116 WeakPolarHBondContact O-CB 3.24Å; I112-T116 PolarHBondContact O-N 3.48Å; I112-T116 PolarHBondContact O-OG1 3.41Å; I112-F913 WeakPolarHBondContact CG2-O 3.35Å
113	R	90.7	Very high	88.3	Confident	145 Å²	145	55 Å²	55	55%	0.547	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-46	175.3	-173.6	-178.7	70.4	-178.5	1.8	111.3	V109 A110 A111 T116 I117	V109-R113 WeakPolarHBondContact O-CB 3.3Å; V109-R113 PolarHBondContact O-N 2.88Å; A110-R113 WeakPolarHBondContact O-CB 3.36Å; A110-R113 PolarHBondContact O-N 3.38Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 3.29Å; R113-T116 WeakPolarHBondContact O-CB 3.5Å; R113-T116 PolarHBondContact O-N 3.22Å; R113-I117 HydrophobicContact CG-CD1 4.36Å; R113-I117 WeakPolarHBondContact O-CG1 3.19Å; R113-I117 PolarHBondContact O-N 3.38Å; R113-I117 VanDerWaalsContact O-N 3.07Å
114	I	92.9	Very high	89.4	Confident	83 Å²	83	57 Å²	57	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-47.4	178.7	-68.3	167.7	0	0	0	110.9	A110 A111 T116 I117 F118	A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.3Å; A111-I114 PolarHBondContact O-N 3.03Å; A111-I114 VanDerWaalsContact O-N 3.11Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.4Å; I114-I117 WeakPolarHBondContact O-CB 3.28Å; I114-I117 PolarHBondContact O-N 2.94Å; I114-I117 VanDerWaalsContact O-N 3.14Å; I114-F118 HydrophobicContact CG2-CD2 3.97Å; I114-F118 HydrophobicContact CG2-CE2 3.51Å; I114-F118 HydrophobicContact CG2-CZ 4.3Å; I114-F118 WeakPolarHBondContact O-CD2 3.12Å; I114-F118 PolarHBondContact O-N 3.12Å; I114-F118 VanDerWaalsContact O-N 3.08Å
115	Y	91.3	Very high	90.2	Very high	43 Å²	43	57.6 Å²	57.6	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-38.9	178.2	-60.6	-46.8	0	0	0	112.3	I70 H73 M74 T77 A111 I112 I117 F118 Y119	I70-Y115 HydrophobicContact CG2-CD1 4.18Å; H73-Y115 HydrophobicContact CB-CE1 4Å; M74-Y115 HydrophobicContact CB-CD2 3.85Å; M74-Y115 HydrophobicContact CB-CE2 4.21Å; M74-Y115 HydrophobicContact CB-CG 4.18Å; M74-Y115 HydrophobicContact CG-CD2 4.02Å; T77-Y115 WeakPolarHBondContact OG1-CE2 3.24Å; A111-Y115 HydrophobicContact CB-CE2 4.01Å; A111-Y115 WeakPolarHBondContact O-CD2 3.31Å; A111-Y115 PolarHBondContact O-N 3.3Å; I112-Y115 PolarHBondContact O-N 3.24Å; Y115-I117 VanDerWaalsContact C-N 3.3Å; Y115-I117 PolarHBondContact O-N 2.99Å; Y115-F118 HydrophobicContact CD1-CD2 4.35Å; Y115-F118 PolarHBondContact O-N 2.9Å; Y115-F118 VanDerWaalsContact O-N 3.13Å; Y115-Y119 VanDerWaalsContact O-CD2 3.29Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.26Å; Y115-Y119 PolarHBondContact O-N 3.37Å
116	T	91.4	Very high	91	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-43.8	173.7	-56.7	0	0	0	0	111.2	I112 R113 I114 F118 Y119 V120 A910 R914	I112-T116 WeakPolarHBondContact O-CB 3.24Å; I112-T116 PolarHBondContact O-N 3.48Å; I112-T116 PolarHBondContact O-OG1 3.41Å; R113-T116 WeakPolarHBondContact O-CB 3.5Å; R113-T116 PolarHBondContact O-N 3.22Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 3.4Å; T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 3.42Å; T116-Y119 PolarHBondContact O-N 3.12Å; T116-V120 WeakPolarHBondContact O-CG2 3.11Å; T116-V120 PolarHBondContact O-N 3.24Å; T116-A910 HydrophobicContact CG2-CB 3.99Å; T116-R914 HydrophobicContact CG2-CB 3.86Å; T116-R914 HydrophobicContact CG2-CG 4.44Å
117	I	93.2	Very high	91.6	Very high	89 Å²	89	51.4 Å²	51.4	46%	0.456	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-42.9	176.6	-68.3	164.2	0	0	0	110.3	R113 I114 Y115 Y119 V120 L121	R113-I117 HydrophobicContact CG-CD1 4.36Å; R113-I117 WeakPolarHBondContact O-CG1 3.19Å; R113-I117 PolarHBondContact O-N 3.38Å; R113-I117 VanDerWaalsContact O-N 3.07Å; I114-I117 WeakPolarHBondContact O-CB 3.28Å; I114-I117 PolarHBondContact O-N 2.94Å; I114-I117 VanDerWaalsContact O-N 3.14Å; Y115-I117 VanDerWaalsContact C-N 3.3Å; Y115-I117 PolarHBondContact O-N 2.99Å; I117-Y119 PolarHBondContact O-N 3.3Å; I117-V120 PolarHBondContact O-N 2.82Å; I117-L121 HydrophobicContact CG2-CD1 3.89Å; I117-L121 HydrophobicContact CG2-CG 4.24Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 2.84Å
118	F	93.2	Very high	92.2	Very high	95 Å²	95	50.6 Å²	50.6	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-39.7	175.4	-70.6	-52.2	0	0	0	113.2	I70 I114 Y115 T116 V120 L121 I122	I70-F118 HydrophobicContact CD1-CB 3.72Å; I70-F118 HydrophobicContact CD1-CG 4.42Å; I70-F118 HydrophobicContact CG1-CB 4.29Å; I70-F118 HydrophobicContact CG2-CB 4.5Å; I114-F118 HydrophobicContact CG2-CD2 3.97Å; I114-F118 HydrophobicContact CG2-CE2 3.51Å; I114-F118 HydrophobicContact CG2-CZ 4.3Å; I114-F118 WeakPolarHBondContact O-CD2 3.12Å; I114-F118 PolarHBondContact O-N 3.12Å; I114-F118 VanDerWaalsContact O-N 3.08Å; Y115-F118 HydrophobicContact CD1-CD2 4.35Å; Y115-F118 PolarHBondContact O-N 2.9Å; Y115-F118 VanDerWaalsContact O-N 3.13Å; T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 3.42Å; F118-V120 VanDerWaalsContact C-N 3.34Å; F118-V120 PolarHBondContact O-N 3.41Å; F118-L121 HydrophobicContact CD1-CD1 4.4Å; F118-L121 PolarHBondContact O-N 3.31Å; F118-I122 WeakPolarHBondContact O-CB 3.4Å; F118-I122 WeakPolarHBondContact O-CG1 3.11Å; F118-I122 PolarHBondContact O-N 3.26Å
119	Y	91	Very high	92.7	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-43.2	173.3	-86.7	-82.4	0	0	0	112.1	L67 I70 T71 M74 Y115 T116 I117 G123 Y909 F913	L67-Y119 HydrophobicContact CD1-CD1 3.68Å; L67-Y119 HydrophobicContact CD1-CE1 3.5Å; L67-Y119 HydrophobicContact CD1-CG 4.5Å; L67-Y119 HydrophobicContact CD2-CE1 3.87Å; L67-Y119 HydrophobicContact CG-CD1 4.49Å; L67-Y119 HydrophobicContact CG-CE1 3.86Å; I70-Y119 HydrophobicContact CG2-CD2 4.2Å; I70-Y119 HydrophobicContact CG2-CE2 3.8Å; T71-Y119 PolarHBondContact OG1-OH 3.48Å; T71-Y119 VanDerWaalsContact OG1-OH 3.08Å; M74-Y119 HydrophobicContact CE-CE2 4.17Å; M74-Y119 HydrophobicContact SD-CE2 4.04Å; Y115-Y119 VanDerWaalsContact O-CD2 3.29Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.26Å; Y115-Y119 PolarHBondContact O-N 3.37Å; T116-Y119 PolarHBondContact O-N 3.12Å; I117-Y119 PolarHBondContact O-N 3.3Å; Y119-G123 PolarHBondContact O-N 2.75Å; Y119-Y909 HydrophobicContact CD1-CD2 4.35Å; Y119-Y909 AromaticContact CE1-CD2 3.88Å; Y119-Y909 HydrophobicContact CE1-CD2 3.88Å; Y119-Y909 HydrophobicContact CE1-CG 4.32Å; Y119-F913 HydrophobicContact CD2-CD2 4.48Å; Y119-F913 AromaticContact CE2-CD2 3.95Å; Y119-F913 HydrophobicContact CE2-CD2 3.95Å; Y119-F913 HydrophobicContact CE2-CE2 4.16Å; Y119-F913 AromaticContact CZ-CE2 3.88Å
120	V	94.2	Very high	93.1	Very high	59 Å²	59	48.2 Å²	48.2	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-45.4	177	174.8	0	0	0	0	110.9	T116 I117 F118 I122 G123 V124 F907 A910	T116-V120 WeakPolarHBondContact O-CG2 3.11Å; T116-V120 PolarHBondContact O-N 3.24Å; I117-V120 PolarHBondContact O-N 2.82Å; F118-V120 VanDerWaalsContact C-N 3.34Å; F118-V120 PolarHBondContact O-N 3.41Å; V120-I122 PolarHBondContact O-N 2.84Å; V120-G123 PolarHBondContact O-N 3.29Å; V120-V124 HydrophobicContact CG1-CG2 4.48Å; V120-V124 WeakPolarHBondContact O-CG2 3.5Å; V120-V124 PolarHBondContact O-N 2.81Å; V120-F907 HydrophobicContact CG1-CE1 4.33Å; V120-A910 HydrophobicContact CG2-CB 3.69Å
121	L	94.4	Very high	93.4	Very high	101 Å²	101	50.4 Å²	50.4	53%	0.529	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-44.1	179	-73	173.3	0	0	0	112	I117 F118 G123 V124 L125	I117-L121 HydrophobicContact CG2-CD1 3.89Å; I117-L121 HydrophobicContact CG2-CG 4.24Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 2.84Å; F118-L121 HydrophobicContact CD1-CD1 4.4Å; F118-L121 PolarHBondContact O-N 3.31Å; L121-G123 VanDerWaalsContact C-N 3.34Å; L121-V124 PolarHBondContact O-N 3.34Å; L121-L125 VanDerWaalsContact O-CB 3.32Å; L121-L125 WeakPolarHBondContact O-CB 3.32Å; L121-L125 PolarHBondContact O-N 3.35Å
122	I	92.9	Very high	93.7	Very high	20 Å²	20	50.3 Å²	50.3	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-40.3	174.7	-69.7	175.4	0	0	0	110.7	L67 I70 F118 V120 V124 L125 I126 F906	L67-I122 HydrophobicContact CD1-CD1 3.89Å; L67-I122 HydrophobicContact CD1-CG2 4.32Å; I70-I122 HydrophobicContact CD1-CD1 3.22Å; I70-I122 HydrophobicContact CD1-CG1 4.46Å; F118-I122 WeakPolarHBondContact O-CB 3.4Å; F118-I122 WeakPolarHBondContact O-CG1 3.11Å; F118-I122 PolarHBondContact O-N 3.26Å; V120-I122 PolarHBondContact O-N 2.84Å; I122-V124 PolarHBondContact O-N 3.35Å; I122-L125 PolarHBondContact O-N 2.81Å; I122-I126 HydrophobicContact CG2-CD1 3.61Å; I122-I126 HydrophobicContact CG2-CG1 4.2Å; I122-I126 WeakPolarHBondContact O-CB 3.43Å; I122-I126 WeakPolarHBondContact O-CG1 3.04Å; I122-I126 PolarHBondContact O-N 2.83Å; I122-F906 HydrophobicContact CG2-CD1 3.78Å; I122-F906 HydrophobicContact CG2-CE1 3.78Å
123	G	93.1	Very high	94	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-44.6	175.5	0	0	0	0	0	113	Y119 V120 L121 F127 S903	Y119-G123 PolarHBondContact O-N 2.75Å; V120-G123 PolarHBondContact O-N 3.29Å; L121-G123 VanDerWaalsContact C-N 3.34Å; G123-F127 WeakPolarHBondContact O-CB 3.1Å; G123-F127 PolarHBondContact O-N 2.92Å; G123-S903 VanDerWaalsContact O-CB 3.31Å; G123-S903 WeakPolarHBondContact O-CB 3.47Å
124	V	95.8	Very high	94.1	Very high	71 Å²	71	43.3 Å²	43.3	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-44.1	174.8	174.2	0	0	0	0	111	V120 L121 I122 I126 F127 V128 F907	V120-V124 HydrophobicContact CG1-CG2 4.48Å; V120-V124 WeakPolarHBondContact O-CG2 3.5Å; V120-V124 PolarHBondContact O-N 2.81Å; L121-V124 PolarHBondContact O-N 3.34Å; I122-V124 PolarHBondContact O-N 3.35Å; V124-I126 VanDerWaalsContact C-N 3.35Å; V124-I126 PolarHBondContact O-N 3.14Å; V124-F127 WeakPolarHBondContact O-CB 3.42Å; V124-F127 PolarHBondContact O-N 3.14Å; V124-V128 HydrophobicContact CG1-CG2 4.46Å; V124-V128 WeakPolarHBondContact O-CG2 3.21Å; V124-V128 PolarHBondContact O-N 3.12Å; V124-F907 HydrophobicContact CG2-CE1 4.01Å; V124-F907 HydrophobicContact CG2-CZ 4.02Å
125	L	95.6	Very high	94	Very high	89 Å²	89	39.6 Å²	39.6	47%	0.466	21%	0.205	S	C	.	.	H	α-helix	trans	-59.5	-46.7	177.4	180	65	0	0	0	111.1	I59 L121 I122 V128 T129	I59-L125 HydrophobicContact CG2-CD1 4.37Å; I59-L125 HydrophobicContact CG2-CD2 4.22Å; I59-L125 HydrophobicContact CG2-CG 4.36Å; L121-L125 VanDerWaalsContact O-CB 3.32Å; L121-L125 WeakPolarHBondContact O-CB 3.32Å; L121-L125 PolarHBondContact O-N 3.35Å; I122-L125 PolarHBondContact O-N 2.81Å; L125-V128 PolarHBondContact O-N 3.04Å; L125-T129 HydrophobicContact CD1-CG2 3.87Å; L125-T129 HydrophobicContact CG-CG2 4.29Å; L125-T129 WeakPolarHBondContact O-CB 3.32Å; L125-T129 VanDerWaalsContact O-CG2 3.25Å; L125-T129 WeakPolarHBondContact O-CG2 3.45Å; L125-T129 PolarHBondContact O-N 2.93Å; L125-T129 PolarHBondContact O-OG1 3.47Å
126	I	94.6	Very high	94.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-42.6	177.6	-73.6	174.7	0	0	0	110.4	I122 V124 V128 T129 S130 Q902 F906	I122-I126 HydrophobicContact CG2-CD1 3.61Å; I122-I126 HydrophobicContact CG2-CG1 4.2Å; I122-I126 WeakPolarHBondContact O-CB 3.43Å; I122-I126 WeakPolarHBondContact O-CG1 3.04Å; I122-I126 PolarHBondContact O-N 2.83Å; V124-I126 VanDerWaalsContact C-N 3.35Å; V124-I126 PolarHBondContact O-N 3.14Å; I126-V128 PolarHBondContact O-N 3.46Å; I126-T129 WeakPolarHBondContact CA-OG1 3.29Å; I126-T129 PolarHBondContact O-OG1 3.21Å; I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 2.88Å; I126-S130 PolarHBondContact O-OG 3.05Å; I126-Q902 HydrophobicContact CG2-CB 4.12Å; I126-F906 HydrophobicContact CD1-CD1 4.2Å; I126-F906 HydrophobicContact CD1-CD2 3.96Å; I126-F906 HydrophobicContact CD1-CE1 3.54Å; I126-F906 HydrophobicContact CD1-CE2 3.3Å; I126-F906 HydrophobicContact CD1-CG 4.39Å; I126-F906 HydrophobicContact CD1-CZ 3.07Å; I126-F906 HydrophobicContact CG1-CE2 4.48Å; I126-F906 HydrophobicContact CG2-CE2 4.17Å
127	F	95.7	Very high	94.2	Very high	62 Å²	62	38 Å²	38	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-55.9	-50.8	175.1	178.7	-104.4	0	0	0	112.1	G123 V124 S130 Y131 L896 G899 F900	G123-F127 WeakPolarHBondContact O-CB 3.1Å; G123-F127 PolarHBondContact O-N 2.92Å; V124-F127 WeakPolarHBondContact O-CB 3.42Å; V124-F127 PolarHBondContact O-N 3.14Å; F127-S130 PolarHBondContact O-OG 3.04Å; F127-Y131 VanDerWaalsContact O-CB 3.26Å; F127-Y131 WeakPolarHBondContact O-CB 3.31Å; F127-Y131 PolarHBondContact O-N 3.34Å; F127-Y131 VanDerWaalsContact O-N 3.08Å; F127-L896 HydrophobicContact CE2-CD1 4.28Å; F127-L896 HydrophobicContact CZ-CD1 3.68Å; F127-G899 VanDerWaalsContact CD2-C 3.48Å; F127-G899 WeakPolarHBondContact CD2-O 3.36Å; F127-F900 HydrophobicContact CD2-CB 4.5Å; F127-F900 HydrophobicContact CE2-CB 4.03Å; F127-F900 HydrophobicContact CE2-CD2 4.49Å
128	V	96.5	Very high	94	Very high	75 Å²	75	34.5 Å²	34.5	46%	0.455	18%	0.182	S	C	.	.	H	α-helix	trans	-67.7	-46.3	-177.6	174.3	0	0	0	0	111.3	V124 L125 I126 A132	V124-V128 HydrophobicContact CG1-CG2 4.46Å; V124-V128 WeakPolarHBondContact O-CG2 3.21Å; V124-V128 PolarHBondContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.04Å; I126-V128 PolarHBondContact O-N 3.46Å; V128-A132 VanDerWaalsContact O-CB 3.31Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.78Å
129	T	96.3	Very high	93.7	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-42.5	-177.1	52.9	0	0	0	0	112	F56 I59 L125 I126 A132 Q133	F56-T129 HydrophobicContact CD1-CG2 4.14Å; I59-T129 HydrophobicContact CB-CG2 4.2Å; I59-T129 HydrophobicContact CG2-CG2 3.81Å; L125-T129 HydrophobicContact CD1-CG2 3.87Å; L125-T129 HydrophobicContact CG-CG2 4.29Å; L125-T129 WeakPolarHBondContact O-CB 3.32Å; L125-T129 VanDerWaalsContact O-CG2 3.25Å; L125-T129 WeakPolarHBondContact O-CG2 3.45Å; L125-T129 PolarHBondContact O-N 2.93Å; L125-T129 PolarHBondContact O-OG1 3.47Å; I126-T129 WeakPolarHBondContact CA-OG1 3.29Å; I126-T129 PolarHBondContact O-OG1 3.21Å; T129-A132 PolarHBondContact O-N 2.88Å; T129-Q133 WeakPolarHBondContact O-CB 3.04Å; T129-Q133 PolarHBondContact O-N 2.78Å
130	S	94.7	Very high	93.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-39.1	175.9	60.6	0	0	0	0	112.6	H60 I126 F127 I134 G899	H60-S130 VanDerWaalsContact CE1-CB 3.45Å; H60-S130 WeakPolarHBondContact CE1-CB 3.33Å; I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 2.88Å; I126-S130 PolarHBondContact O-OG 3.05Å; F127-S130 PolarHBondContact O-OG 3.04Å; S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 3.42Å; S130-G899 WeakPolarHBondContact OG-CA 3.35Å
131	Y	95.2	Very high	93.5	Very high	82 Å²	82	27.7 Å²	27.7	32%	0.322	15%	0.149	S	C	.	.	H	α-helix	trans	-59.4	-54.9	170.3	166.3	-101	0	0	0	111.1	F127 Q133 I134 A135 Q892 A895 L896	F127-Y131 VanDerWaalsContact O-CB 3.26Å; F127-Y131 WeakPolarHBondContact O-CB 3.31Å; F127-Y131 PolarHBondContact O-N 3.34Å; F127-Y131 VanDerWaalsContact O-N 3.08Å; Y131-Q133 VanDerWaalsContact C-N 3.33Å; Y131-Q133 PolarHBondContact O-N 3.21Å; Y131-I134 PolarHBondContact O-N 2.69Å; Y131-A135 WeakPolarHBondContact O-CB 3.35Å; Y131-A135 PolarHBondContact O-N 3.34Å; Y131-Q892 PolarHBondContact OH-OE1 3.47Å; Y131-A895 HydrophobicContact CD2-CB 3.74Å; Y131-A895 HydrophobicContact CE2-CB 4.06Å; Y131-L896 HydrophobicContact CD2-CB 4.23Å; Y131-L896 HydrophobicContact CD2-CD1 4.48Å; Y131-L896 HydrophobicContact CE2-CB 4.31Å
132	A	95.1	Very high	93	Very high	15 Å²	15	24.7 Å²	24.7	12%	0.124	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-40.4	-176	0	0	0	0	0	112	F56 V128 T129 A135 C136	F56-A132 HydrophobicContact CB-CB 4.4Å; F56-A132 HydrophobicContact CD1-CB 4.41Å; F56-A132 HydrophobicContact CD2-CB 3.42Å; F56-A132 VanDerWaalsContact CD2-CB 3.42Å; F56-A132 HydrophobicContact CE2-CB 3.67Å; F56-A132 HydrophobicContact CG-CB 3.84Å; F56-A132 HydrophobicContact CZ-CB 4.26Å; V128-A132 VanDerWaalsContact O-CB 3.31Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.78Å; T129-A132 PolarHBondContact O-N 2.88Å; A132-A135 PolarHBondContact O-N 3.46Å; A132-C136 VanDerWaalsContact O-CB 3.26Å; A132-C136 WeakPolarHBondContact O-CB 3.3Å; A132-C136 PolarHBondContact O-N 3.48Å; A132-C136 PolarHBondContact O-SG 3.33Å
133	Q	95.6	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-53.3	-58.5	173.8	171.4	-172.2	-11.1	0	0	111.5	F56 A57 H60 T129 Y131 W137 S192	F56-Q133 HydrophobicContact CB-CB 4.09Å; A57-Q133 HydrophobicContact CB-CG 3.77Å; H60-Q133 PolarHBondContact ND1-OE1 3.3Å; T129-Q133 WeakPolarHBondContact O-CB 3.04Å; T129-Q133 PolarHBondContact O-N 2.78Å; Y131-Q133 VanDerWaalsContact C-N 3.33Å; Y131-Q133 PolarHBondContact O-N 3.21Å; Q133-W137 PolarHBondContact O-N 3.42Å; Q133-S192 PolarHBondContact NE2-O 3.36Å; Q133-S192 PolarHBondContact NE2-OG 3.49Å
134	I	92.9	Very high	92.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-39.3	-176.1	-62.2	-54.7	0	0	0	111.1	S130 Y131 S138 D189 Y894 A895 F898	S130-I134 WeakPolarHBondContact O-CG1 3.41Å; S130-I134 PolarHBondContact O-N 3.42Å; Y131-I134 PolarHBondContact O-N 2.69Å; I134-S138 WeakPolarHBondContact O-CB 3.26Å; I134-S138 PolarHBondContact O-N 2.96Å; I134-S138 PolarHBondContact O-OG 3.41Å; I134-D189 HydrophobicContact CD1-CB 3.78Å; I134-Y894 HydrophobicContact CG2-CD1 3.55Å; I134-Y894 HydrophobicContact CG2-CE1 3.44Å; I134-Y894 VanDerWaalsContact CG2-CE1 3.44Å; I134-A895 HydrophobicContact CB-CB 3.88Å; I134-A895 HydrophobicContact CG2-CB 3.82Å; I134-F898 HydrophobicContact CB-CD1 4.43Å; I134-F898 HydrophobicContact CD1-CD1 4.14Å; I134-F898 HydrophobicContact CD1-CE1 3.99Å; I134-F898 HydrophobicContact CD1-CZ 4.42Å; I134-F898 HydrophobicContact CG1-CB 4.45Å; I134-F898 HydrophobicContact CG1-CD1 3.31Å; I134-F898 HydrophobicContact CG1-CE1 3.59Å; I134-F898 HydrophobicContact CG1-CG 3.93Å; I134-F898 HydrophobicContact CG1-CZ 4.43Å
135	A	92	Very high	92.2	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-48	178.1	0	0	0	0	0	111.8	Y131 A132 S139 Q892 A895	Y131-A135 WeakPolarHBondContact O-CB 3.35Å; Y131-A135 PolarHBondContact O-N 3.34Å; A132-A135 PolarHBondContact O-N 3.46Å; A135-S139 WeakPolarHBondContact O-CB 3.1Å; A135-S139 PolarHBondContact O-N 2.86Å; A135-S139 PolarHBondContact O-OG 3.12Å; A135-Q892 VanDerWaalsContact CB-OE1 3.22Å; A135-A895 HydrophobicContact CB-CB 3.9Å
136	C	92.9	Very high	91.6	Very high	19 Å²	19	21.5 Å²	21.5	13%	0.128	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-52.3	-179.9	-76.8	0	0	0	0	112.1	L49 A132 S139 A140	L49-C136 HydrophobicContact CB-CB 4.46Å; L49-C136 VanDerWaalsContact O-CB 3.31Å; L49-C136 WeakPolarHBondContact O-CB 3.42Å; A132-C136 VanDerWaalsContact O-CB 3.26Å; A132-C136 WeakPolarHBondContact O-CB 3.3Å; A132-C136 PolarHBondContact O-N 3.48Å; A132-C136 PolarHBondContact O-SG 3.33Å; C136-S139 PolarHBondContact O-N 2.91Å; C136-A140 PolarHBondContact O-N 3.22Å
137	W	93.9	Very high	91.4	Very high	9 Å²	9	25.1 Å²	25.1	3%	0.034	12%	0.122	C	C	.	.	H	α-helix	trans	-66.3	-43	-177.7	-86.6	96.7	0	0	0	112.9	F39 M50 T54 Q133 S139 A140 C141 V191	F39-W137 HydrophobicContact CE1-CH2 4.44Å; F39-W137 AromaticContact CE1-CZ3 3.9Å; F39-W137 HydrophobicContact CE1-CZ3 3.9Å; F39-W137 AromaticContact CZ-CH2 3.97Å; F39-W137 HydrophobicContact CZ-CH2 3.97Å; F39-W137 AromaticContact CZ-CZ3 3.81Å; F39-W137 HydrophobicContact CZ-CZ3 3.81Å; M50-W137 HydrophobicContact CB-CH2 4.15Å; M50-W137 HydrophobicContact CB-CZ2 4.17Å; M50-W137 HydrophobicContact CB-CZ3 4.49Å; M50-W137 HydrophobicContact CG-CD2 4.45Å; M50-W137 HydrophobicContact CG-CE3 4.11Å; M50-W137 HydrophobicContact CG-CH2 4Å; M50-W137 HydrophobicContact CG-CZ2 4.38Å; M50-W137 HydrophobicContact CG-CZ3 3.86Å; M50-W137 HydrophobicContact SD-CE3 4.49Å; M50-W137 HydrophobicContact SD-CH2 4.02Å; M50-W137 HydrophobicContact SD-CZ3 3.79Å; T54-W137 WeakPolarHBondContact OG1-CZ2 3.49Å; Q133-W137 PolarHBondContact O-N 3.42Å; W137-S139 VanDerWaalsContact C-N 3.31Å; W137-S139 PolarHBondContact O-N 3.29Å; W137-A140 PolarHBondContact O-N 2.9Å; W137-C141 VanDerWaalsContact O-CB 3.25Å; W137-C141 WeakPolarHBondContact O-CB 3.35Å; W137-C141 PolarHBondContact O-N 3.05Å; W137-V191 HydrophobicContact CE3-CB 4.13Å; W137-V191 HydrophobicContact CH2-CB 3.68Å; W137-V191 HydrophobicContact CH2-CG1 3.41Å; W137-V191 VanDerWaalsContact CH2-CG1 3.41Å; W137-V191 HydrophobicContact CH2-CG2 4.32Å; W137-V191 HydrophobicContact CZ2-CB 4.11Å; W137-V191 HydrophobicContact CZ2-CG1 3.76Å; W137-V191 HydrophobicContact CZ3-CB 3.68Å; W137-V191 HydrophobicContact CZ3-CG1 3.95Å; W137-V191 HydrophobicContact CZ3-CG2 4.03Å
138	S	88.8	Confident	91.1	Very high	16 Å²	16	22.7 Å²	22.7	11%	0.112	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-36.2	177.3	-55.6	0	0	0	0	111.4	I134 C141 E142	I134-S138 WeakPolarHBondContact O-CB 3.26Å; I134-S138 PolarHBondContact O-N 2.96Å; I134-S138 PolarHBondContact O-OG 3.41Å; S138-C141 PolarHBondContact O-N 3.3Å; S138-E142 WeakPolarHBondContact O-CG 3.38Å; S138-E142 PolarHBondContact O-N 3.08Å
139	S	86.8	Confident	90.9	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-66.9	-45	176	-62.2	0	0	0	0	112.3	A135 C136 W137 C141 R143 Q892	A135-S139 WeakPolarHBondContact O-CB 3.1Å; A135-S139 PolarHBondContact O-N 2.86Å; A135-S139 PolarHBondContact O-OG 3.12Å; C136-S139 PolarHBondContact O-N 2.91Å; W137-S139 VanDerWaalsContact C-N 3.31Å; W137-S139 PolarHBondContact O-N 3.29Å; S139-C141 VanDerWaalsContact C-N 3.32Å; S139-C141 PolarHBondContact O-N 2.89Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.38Å; S139-R143 PolarHBondContact O-N 3.32Å; S139-Q892 PolarHBondContact OG-NE2 3.22Å
140	A	90.3	Very high	90.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-37.9	176.4	0	0	0	0	0	111.9	D46 L49 M50 C136 W137 Q144	D46-A140 HydrophobicContact CB-CB 4.41Å; L49-A140 HydrophobicContact CB-CB 4.23Å; L49-A140 HydrophobicContact CD1-CB 4.45Å; M50-A140 HydrophobicContact CG-CB 3.87Å; C136-A140 PolarHBondContact O-N 3.22Å; W137-A140 PolarHBondContact O-N 2.9Å; A140-Q144 WeakPolarHBondContact O-CG 3.42Å; A140-Q144 PolarHBondContact O-N 2.75Å; A140-Q144 VanDerWaalsContact O-N 3.09Å; A140-Q144 PolarHBondContact O-NE2 3.41Å
141	C	89.7	Confident	90.5	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.034	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-51.3	176.6	174.3	0	0	0	0	112.3	W137 S138 S139 R143 Q144 T145 R184 I187	W137-C141 VanDerWaalsContact O-CB 3.25Å; W137-C141 WeakPolarHBondContact O-CB 3.35Å; W137-C141 PolarHBondContact O-N 3.05Å; S138-C141 PolarHBondContact O-N 3.3Å; S139-C141 VanDerWaalsContact C-N 3.32Å; S139-C141 PolarHBondContact O-N 2.89Å; C141-R143 VanDerWaalsContact C-N 3.26Å; C141-R143 PolarHBondContact O-N 3.16Å; C141-Q144 PolarHBondContact O-N 2.94Å; C141-T145 WeakPolarHBondContact O-CB 3.45Å; C141-T145 PolarHBondContact O-N 3.19Å; C141-T145 PolarHBondContact O-OG1 3.04Å; C141-T145 VanDerWaalsContact O-OG1 3.06Å; C141-R184 VanDerWaalsContact SG-CG 3.56Å; C141-R184 PolarHBondContact SG-O 3.37Å; C141-I187 HydrophobicContact CB-CG1 4.33Å
142	E	84.1	Confident	90.5	Very high	38 Å²	38	21.9 Å²	21.9	18%	0.178	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-35.8	-179.9	-73.2	-62.6	142.5	0	0	112.2	S138 H146 R184	S138-E142 WeakPolarHBondContact O-CG 3.38Å; S138-E142 PolarHBondContact O-N 3.08Å; E142-H146 VanDerWaalsContact O-CB 3.28Å; E142-H146 WeakPolarHBondContact O-CB 3.35Å; E142-H146 PolarHBondContact O-N 3.18Å; E142-H146 VanDerWaalsContact O-N 3.14Å; E142-R184 IonicContact OE1-CZ 3.44Å; E142-R184 IonicContact OE1-NH1 3.2Å; E142-R184 PolarHBondContact OE1-NH1 2.9Å
143	R	86.6	Confident	90.4	Very high	51 Å²	51	21.2 Å²	21.2	19%	0.192	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-49.9	174	-70.2	170.1	65.1	84.3	-4.9	111.9	D43 D46 S139 C141 R147 F884	D43-R143 IonicContact OD1-NH2 3.23Å; D43-R143 IonicContact OD2-CZ 3.74Å; D43-R143 IonicContact OD2-NH2 2.81Å; D43-R143 PolarHBondContact OD2-NH2 2.88Å; D46-R143 WeakPolarHBondContact OD1-CB 3.4Å; D46-R143 WeakPolarHBondContact OD1-CD 3.1Å; D46-R143 IonicContact OD1-CZ 3.03Å; D46-R143 IonicContact OD1-NE 3.01Å; D46-R143 PolarHBondContact OD1-NE 3.35Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.38Å; S139-R143 PolarHBondContact O-N 3.32Å; C141-R143 VanDerWaalsContact C-N 3.26Å; C141-R143 PolarHBondContact O-N 3.16Å; R143-R147 WeakPolarHBondContact O-CG 3.32Å; R143-R147 PolarHBondContact O-N 2.98Å; R143-F884 HydrophobicContact CB-CE2 4.26Å; R143-F884 HydrophobicContact CG-CD2 4.34Å; R143-F884 HydrophobicContact CG-CE1 4.37Å; R143-F884 HydrophobicContact CG-CE2 3.16Å; R143-F884 HydrophobicContact CG-CZ 3.18Å
144	Q	90.2	Very high	90.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-47.1	-178.1	-72.5	179.9	72.7	0	0	111.7	A42 A140 C141 H146 R147 I148 I187	A42-Q144 HydrophobicContact CB-CG 4.35Å; A140-Q144 WeakPolarHBondContact O-CG 3.42Å; A140-Q144 PolarHBondContact O-N 2.75Å; A140-Q144 VanDerWaalsContact O-N 3.09Å; A140-Q144 PolarHBondContact O-NE2 3.41Å; C141-Q144 PolarHBondContact O-N 2.94Å; Q144-H146 VanDerWaalsContact C-N 3.29Å; Q144-H146 PolarHBondContact O-N 3.07Å; Q144-R147 WeakPolarHBondContact O-CB 3.16Å; Q144-R147 PolarHBondContact O-N 3.33Å; Q144-I148 VanDerWaalsContact O-CG1 3.31Å; Q144-I148 WeakPolarHBondContact O-CG1 3.26Å; Q144-I148 PolarHBondContact O-N 3.21Å; Q144-I187 HydrophobicContact CB-CD1 4.04Å
145	T	87.8	Confident	90.3	Very high	5 Å²	5	26 Å²	26	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-41.9	178.5	-59.9	0	0	0	0	111.6	C141 R147 I148 R149 I180 R184	C141-T145 WeakPolarHBondContact O-CB 3.45Å; C141-T145 PolarHBondContact O-N 3.19Å; C141-T145 PolarHBondContact O-OG1 3.04Å; C141-T145 VanDerWaalsContact O-OG1 3.06Å; T145-R147 PolarHBondContact O-N 2.75Å; T145-I148 PolarHBondContact O-N 3.46Å; T145-R149 WeakPolarHBondContact O-CG 3.26Å; T145-R149 PolarHBondContact O-N 3.33Å; T145-I180 HydrophobicContact CG2-CG2 4Å; T145-R184 HydrophobicContact CG2-CB 4.13Å; T145-R184 HydrophobicContact CG2-CG 4.23Å
146	H	85	Confident	90.4	Very high	56 Å²	56	25.7 Å²	25.7	26%	0.259	12%	0.118	S	C	.	.	H	α-helix	trans	-63.1	-39.6	175.4	174.5	-95.3	0	0	0	112.5	E142 Q144 K150	E142-H146 VanDerWaalsContact O-CB 3.28Å; E142-H146 WeakPolarHBondContact O-CB 3.35Å; E142-H146 PolarHBondContact O-N 3.18Å; E142-H146 VanDerWaalsContact O-N 3.14Å; Q144-H146 VanDerWaalsContact C-N 3.29Å; Q144-H146 PolarHBondContact O-N 3.07Å; H146-K150 WeakPolarHBondContact CE1-CE 3.27Å; H146-K150 PolarHBondContact CE1-NZ 3.37Å; H146-K150 VanDerWaalsContact CE1-NZ 3.25Å; H146-K150 VanDerWaalsContact NE2-CE 3.26Å; H146-K150 WeakPolarHBondContact NE2-CE 3.37Å; H146-K150 WeakPolarHBondContact O-CG 3.4Å; H146-K150 PolarHBondContact O-N 2.86Å
147	R	88.7	Confident	90.4	Very high	78 Å²	78	24.8 Å²	24.8	29%	0.294	11%	0.112	S	C	.	.	H	α-helix	trans	-65.6	-43.7	173.4	-72.3	178.8	-178.1	143.9	8.8	112.3	F41 D43 D46 R143 Q144 T145 K150 Q151	F41-R147 HydrophobicContact CB-CB 4.33Å; F41-R147 HydrophobicContact CD1-CB 4.47Å; F41-R147 WeakPolarHBondContact O-CD 3.43Å; F41-R147 PolarHBondContact O-NH1 3.26Å; D43-R147 VanDerWaalsContact CG-NH2 3.31Å; D43-R147 IonicContact OD1-NH1 3.95Å; D43-R147 IonicContact OD2-CZ 2.74Å; D43-R147 IonicContact OD2-NH1 3.51Å; D43-R147 IonicContact OD2-NH2 3.95Å; D43-R147 PolarHBondContact OD2-NH2 2.65Å; D46-R147 IonicContact OD2-CZ 3.83Å; D46-R147 IonicContact OD2-NH1 3.87Å; D46-R147 PolarHBondContact OD2-NH1 3.23Å; R143-R147 WeakPolarHBondContact O-CG 3.32Å; R143-R147 PolarHBondContact O-N 2.98Å; Q144-R147 WeakPolarHBondContact O-CB 3.16Å; Q144-R147 PolarHBondContact O-N 3.33Å; T145-R147 PolarHBondContact O-N 2.75Å; R147-K150 PolarHBondContact O-N 3.09Å; R147-Q151 WeakPolarHBondContact O-CB 3.42Å; R147-Q151 PolarHBondContact O-N 3.47Å
148	I	90.9	Very high	90.3	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-50.7	177.4	-68.7	163.2	0	0	0	109.8	F41 Q144 T145 K150 Q151 F152 I180 V183 V362	F41-I148 HydrophobicContact CB-CG1 4.17Å; F41-I148 HydrophobicContact CD2-CD1 3.99Å; F41-I148 HydrophobicContact CD2-CG1 3.27Å; F41-I148 HydrophobicContact CE2-CG1 3.71Å; F41-I148 HydrophobicContact CG-CG1 3.77Å; Q144-I148 VanDerWaalsContact O-CG1 3.31Å; Q144-I148 WeakPolarHBondContact O-CG1 3.26Å; Q144-I148 PolarHBondContact O-N 3.21Å; T145-I148 PolarHBondContact O-N 3.46Å; I148-K150 VanDerWaalsContact C-N 3.33Å; I148-K150 PolarHBondContact O-N 2.79Å; I148-Q151 PolarHBondContact O-N 2.93Å; I148-F152 WeakPolarHBondContact O-CB 3.34Å; I148-F152 PolarHBondContact O-N 2.97Å; I148-I180 HydrophobicContact CG2-CD1 4.07Å; I148-I180 HydrophobicContact CG2-CG1 4.07Å; I148-I180 HydrophobicContact CG2-CG2 4.32Å; I148-V183 HydrophobicContact CD1-CG1 4.08Å; I148-V362 HydrophobicContact CG2-CG1 3.96Å
149	R	90.7	Very high	90.5	Very high	13 Å²	13	24.8 Å²	24.8	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-43.6	178.4	-74.3	-174.8	-177.7	-81.2	-2.4	112.3	T145 F153 L176 I180 E181 L872	T145-R149 WeakPolarHBondContact O-CG 3.26Å; T145-R149 PolarHBondContact O-N 3.33Å; R149-F153 PolarHBondContact O-N 2.92Å; R149-L176 PolarHBondContact NH1-O 2.92Å; R149-I180 HydrophobicContact CG-CD1 4.23Å; R149-I180 HydrophobicContact CG-CG2 3.78Å; R149-E181 IonicContact NH2-OE2 3.97Å; R149-L872 HydrophobicContact CB-CD1 4Å
150	K	91.2	Very high	90.7	Very high	59 Å²	59	26.1 Å²	26.1	26%	0.257	12%	0.116	S	C	.	.	H	α-helix	trans	-65.5	-45.1	178.4	-74.6	-170.3	172.1	-175.1	0	112.6	H146 R147 I148 K154 H865 L872	H146-K150 WeakPolarHBondContact CE1-CE 3.27Å; H146-K150 PolarHBondContact CE1-NZ 3.37Å; H146-K150 VanDerWaalsContact CE1-NZ 3.25Å; H146-K150 VanDerWaalsContact NE2-CE 3.26Å; H146-K150 WeakPolarHBondContact NE2-CE 3.37Å; H146-K150 WeakPolarHBondContact O-CG 3.4Å; H146-K150 PolarHBondContact O-N 2.86Å; R147-K150 PolarHBondContact O-N 3.09Å; I148-K150 VanDerWaalsContact C-N 3.33Å; I148-K150 PolarHBondContact O-N 2.79Å; K150-K154 WeakPolarHBondContact O-CB 3.45Å; K150-K154 PolarHBondContact O-N 3.32Å; K150-K154 VanDerWaalsContact O-N 3.15Å; K150-H865 PolarHBondContact O-NE2 2.9Å; K150-L872 HydrophobicContact CG-CD1 3.81Å
151	Q	92.4	Very high	90.9	Very high	72 Å²	72	26.1 Å²	26.1	34%	0.336	12%	0.116	S	C	.	.	H	α-helix	trans	-74	-38.5	-177.7	-171.4	65.1	11.8	0	0	111.5	F41 R147 I148 K154 S155 I366	F41-Q151 HydrophobicContact CE1-CB 4.03Å; F41-Q151 HydrophobicContact CE1-CG 4.04Å; F41-Q151 HydrophobicContact CZ-CB 4.48Å; F41-Q151 HydrophobicContact CZ-CG 4.42Å; R147-Q151 WeakPolarHBondContact O-CB 3.42Å; R147-Q151 PolarHBondContact O-N 3.47Å; I148-Q151 PolarHBondContact O-N 2.93Å; Q151-K154 WeakPolarHBondContact O-CB 3.45Å; Q151-K154 PolarHBondContact O-N 2.88Å; Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 2.83Å; Q151-I366 HydrophobicContact CG-CD1 4.49Å; Q151-I366 HydrophobicContact CG-CG2 3.57Å
152	F	94.2	Very high	90.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.9	-53.3	174.8	179.2	-101.7	0	0	0	111.3	I148 K154 S155 V156 K175 L176 I180 V362 L365 I366 F845	I148-F152 WeakPolarHBondContact O-CB 3.34Å; I148-F152 PolarHBondContact O-N 2.97Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 2.9Å; F152-S155 PolarHBondContact O-N 3.21Å; F152-S155 VanDerWaalsContact O-N 3.17Å; F152-V156 HydrophobicContact CD1-CG2 4.18Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.83Å; F152-V156 HydrophobicContact CE2-CG2 4.12Å; F152-V156 HydrophobicContact CG-CG2 4.48Å; F152-V156 HydrophobicContact CZ-CG2 3.81Å; F152-V156 VanDerWaalsContact O-CG2 3.32Å; F152-V156 WeakPolarHBondContact O-CG2 3.47Å; F152-V156 PolarHBondContact O-N 2.88Å; F152-K175 HydrophobicContact CE2-CB 4.46Å; F152-K175 HydrophobicContact CZ-CB 3.84Å; F152-L176 HydrophobicContact CD1-CD1 3.8Å; F152-L176 HydrophobicContact CE1-CB 4.03Å; F152-L176 HydrophobicContact CE1-CD1 4.16Å; F152-I180 HydrophobicContact CB-CD1 4.12Å; F152-I180 HydrophobicContact CD1-CD1 4.04Å; F152-I180 HydrophobicContact CG-CD1 4.02Å; F152-V362 HydrophobicContact CD2-CG1 3.85Å; F152-V362 HydrophobicContact CE2-CG1 4.45Å; F152-L365 HydrophobicContact CD2-CD2 4.01Å; F152-L365 HydrophobicContact CE2-CD1 4.16Å; F152-L365 HydrophobicContact CE2-CD2 3.79Å; F152-L365 HydrophobicContact CE2-CG 4.39Å; F152-I366 HydrophobicContact CB-CD1 4.13Å; F152-I366 HydrophobicContact CB-CG1 4.3Å; F152-I366 HydrophobicContact CD2-CG1 4.33Å; F152-F845 HydrophobicContact CD1-CE2 4.2Å; F152-F845 AromaticContact CE1-CE2 3.85Å; F152-F845 HydrophobicContact CE1-CE2 3.85Å; F152-F845 AromaticContact CE1-CZ 3.88Å; F152-F845 HydrophobicContact CE1-CZ 3.88Å
153	F	93.6	Very high	91.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-37.4	179.4	-174.1	-138.1	0	0	0	112.3	R149 S155 V156 L157 F845 A848 F864 Y868	R149-F153 PolarHBondContact O-N 2.92Å; F153-S155 PolarHBondContact O-N 2.75Å; F153-V156 PolarHBondContact O-N 2.68Å; F153-L157 HydrophobicContact CD1-CD1 3.95Å; F153-L157 HydrophobicContact CD2-CD1 4.07Å; F153-L157 HydrophobicContact CD2-CG 3.93Å; F153-L157 HydrophobicContact CE1-CD1 3.65Å; F153-L157 HydrophobicContact CE1-CG 4.4Å; F153-L157 HydrophobicContact CE2-CD1 3.83Å; F153-L157 HydrophobicContact CE2-CD2 3.78Å; F153-L157 HydrophobicContact CE2-CG 3.65Å; F153-L157 HydrophobicContact CG-CD1 4.18Å; F153-L157 HydrophobicContact CG-CG 4.49Å; F153-L157 HydrophobicContact CZ-CD1 3.63Å; F153-L157 HydrophobicContact CZ-CD2 3.93Å; F153-L157 HydrophobicContact CZ-CG 3.93Å; F153-L157 WeakPolarHBondContact O-CG 3.23Å; F153-L157 PolarHBondContact O-N 2.97Å; F153-F845 HydrophobicContact CB-CD2 4.27Å; F153-F845 HydrophobicContact CB-CE2 4.47Å; F153-F845 AromaticContact CD2-CD2 3.12Å; F153-F845 HydrophobicContact CD2-CD2 3.12Å; F153-F845 AromaticContact CD2-CE2 3.49Å; F153-F845 HydrophobicContact CD2-CE2 3.49Å; F153-F845 VanDerWaalsContact CD2-CE2 3.49Å; F153-F845 HydrophobicContact CD2-CG 4.19Å; F153-F845 HydrophobicContact CE2-CB 4.31Å; F153-F845 AromaticContact CE2-CD2 3.46Å; F153-F845 HydrophobicContact CE2-CD2 3.46Å; F153-F845 VanDerWaalsContact CE2-CD2 3.46Å; F153-F845 HydrophobicContact CE2-CE2 4.07Å; F153-F845 HydrophobicContact CE2-CG 4.12Å; F153-F845 AromaticContact CG-CD2 3.85Å; F153-F845 HydrophobicContact CG-CD2 3.85Å; F153-F845 HydrophobicContact CG-CE2 4.34Å; F153-F845 HydrophobicContact CZ-CD2 4.43Å; F153-A848 HydrophobicContact CE2-CB 4.25Å; F153-A848 HydrophobicContact CZ-CB 3.9Å; F153-F864 WeakPolarHBondContact CE1-O 3.37Å; F153-F864 HydrophobicContact CZ-CB 4.42Å; F153-Y868 HydrophobicContact CB-CD1 4.09Å; F153-Y868 HydrophobicContact CB-CE1 4.01Å; F153-Y868 VanDerWaalsContact CD1-CB 3.48Å; F153-Y868 AromaticContact CD1-CD1 3.45Å; F153-Y868 HydrophobicContact CD1-CD1 3.45Å; F153-Y868 VanDerWaalsContact CD1-CD1 3.45Å; F153-Y868 HydrophobicContact CD1-CD2 4.12Å; F153-Y868 HydrophobicContact CD1-CE1 4.19Å; F153-Y868 AromaticContact CD1-CG 3.41Å; F153-Y868 HydrophobicContact CD1-CG 3.41Å; F153-Y868 VanDerWaalsContact CD1-CG 3.41Å; F153-Y868 HydrophobicContact CE1-CD1 4.2Å; F153-Y868 HydrophobicContact CE1-CD2 4.25Å; F153-Y868 AromaticContact CE1-CG 3.69Å; F153-Y868 HydrophobicContact CE1-CG 3.69Å; F153-Y868 HydrophobicContact CG-CD1 4.1Å; F153-Y868 HydrophobicContact CG-CE1 4.41Å; F153-Y868 HydrophobicContact CG-CG 4.25Å
154	K	93.9	Very high	91.4	Very high	87 Å²	87	25.7 Å²	25.7	38%	0.378	11%	0.114	S	C	.	.	H	α-helix	trans	-57.4	-49.4	172.9	-172.3	-178.5	174.7	-174.7	0	111.2	K150 Q151 F152 L157 H158	K150-K154 WeakPolarHBondContact O-CB 3.45Å; K150-K154 PolarHBondContact O-N 3.32Å; K150-K154 VanDerWaalsContact O-N 3.15Å; Q151-K154 WeakPolarHBondContact O-CB 3.45Å; Q151-K154 PolarHBondContact O-N 2.88Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 2.9Å; K154-L157 PolarHBondContact O-N 3.35Å; K154-H158 PolarHBondContact O-ND1 3.37Å
155	S	93.3	Very high	91.2	Very high	13 Å²	13	27.9 Å²	27.9	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-43.4	-179.8	-65.9	0	0	0	0	111.7	Q151 F152 F153 L157 H158 M159 I366	Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 2.83Å; F152-S155 PolarHBondContact O-N 3.21Å; F152-S155 VanDerWaalsContact O-N 3.17Å; F153-S155 PolarHBondContact O-N 2.75Å; S155-L157 PolarHBondContact O-N 3.16Å; S155-H158 PolarHBondContact O-N 3.29Å; S155-M159 WeakPolarHBondContact O-CE 3.16Å; S155-M159 PolarHBondContact O-N 2.8Å; S155-I366 WeakPolarHBondContact OG-CA 3.49Å; S155-I366 PolarHBondContact OG-O 3.12Å
156	V	93.6	Very high	91	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-49.9	177.1	169	0	0	0	0	110.9	F152 F153 H158 M159 Y164 L172 L365 F845 V849	F152-V156 HydrophobicContact CD1-CG2 4.18Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.83Å; F152-V156 HydrophobicContact CE2-CG2 4.12Å; F152-V156 HydrophobicContact CG-CG2 4.48Å; F152-V156 HydrophobicContact CZ-CG2 3.81Å; F152-V156 VanDerWaalsContact O-CG2 3.32Å; F152-V156 WeakPolarHBondContact O-CG2 3.47Å; F152-V156 PolarHBondContact O-N 2.88Å; F153-V156 PolarHBondContact O-N 2.68Å; V156-H158 PolarHBondContact O-N 3.33Å; V156-M159 PolarHBondContact O-N 2.9Å; V156-Y164 VanDerWaalsContact C-OH 3.27Å; V156-Y164 WeakPolarHBondContact CG1-OH 3.28Å; V156-Y164 PolarHBondContact O-OH 2.92Å; V156-L172 HydrophobicContact CG1-CD1 4.41Å; V156-L172 HydrophobicContact CG2-CD2 4.19Å; V156-L365 HydrophobicContact CG2-CD2 3.61Å; V156-F845 HydrophobicContact CG1-CE2 4.3Å; V156-F845 HydrophobicContact CG1-CZ 4.33Å; V156-V849 HydrophobicContact CG1-CG2 3.78Å
157	L	93.2	Very high	90.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-28	-176.9	-73.6	168.6	0	0	0	114.5	F153 K154 S155 A848 I852 Q856 E861 F864 H865	F153-L157 HydrophobicContact CD1-CD1 3.95Å; F153-L157 HydrophobicContact CD2-CD1 4.07Å; F153-L157 HydrophobicContact CD2-CG 3.93Å; F153-L157 HydrophobicContact CE1-CD1 3.65Å; F153-L157 HydrophobicContact CE1-CG 4.4Å; F153-L157 HydrophobicContact CE2-CD1 3.83Å; F153-L157 HydrophobicContact CE2-CD2 3.78Å; F153-L157 HydrophobicContact CE2-CG 3.65Å; F153-L157 HydrophobicContact CG-CD1 4.18Å; F153-L157 HydrophobicContact CG-CG 4.49Å; F153-L157 HydrophobicContact CZ-CD1 3.63Å; F153-L157 HydrophobicContact CZ-CD2 3.93Å; F153-L157 HydrophobicContact CZ-CG 3.93Å; F153-L157 WeakPolarHBondContact O-CG 3.23Å; F153-L157 PolarHBondContact O-N 2.97Å; K154-L157 PolarHBondContact O-N 3.35Å; S155-L157 PolarHBondContact O-N 3.16Å; L157-A848 HydrophobicContact CD2-CB 4.09Å; L157-I852 HydrophobicContact CD2-CD1 4.01Å; L157-Q856 PolarHBondContact O-NE2 3.27Å; L157-E861 HydrophobicContact CB-CB 4.07Å; L157-E861 HydrophobicContact CB-CG 4.3Å; L157-E861 WeakPolarHBondContact CD1-O 3.38Å; L157-F864 HydrophobicContact CD1-CB 4.46Å; L157-H865 HydrophobicContact CD1-CB 3.89Å
158	H	92.2	Very high	90.1	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.097	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.9	-176.2	-60.5	91.4	0	0	0	113.5	K154 S155 V156 P370 S374 S375	K154-H158 PolarHBondContact O-ND1 3.37Å; S155-H158 PolarHBondContact O-N 3.29Å; V156-H158 PolarHBondContact O-N 3.33Å; H158-P370 WeakPolarHBondContact O-CB 3.43Å; H158-P370 WeakPolarHBondContact O-CG 3.48Å; H158-S374 PolarHBondContact CD2-OG 3.05Å; H158-S375 WeakPolarHBondContact CD2-CB 3.21Å
159	M	92.6	Very high	89.4	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.02	18%	0.176	C	C	.	.	S	Bend	trans	-65.5	149.1	169.7	-71.1	-60.5	115.2	0	0	111	S155 V156 W163 Y164 T368 P370 Q856	S155-M159 WeakPolarHBondContact O-CE 3.16Å; S155-M159 PolarHBondContact O-N 2.8Å; V156-M159 PolarHBondContact O-N 2.9Å; M159-W163 HydrophobicContact CB-CB 4.39Å; M159-W163 HydrophobicContact CB-CD2 4.08Å; M159-W163 HydrophobicContact CB-CE3 3.74Å; M159-W163 HydrophobicContact CB-CG 4.36Å; M159-W163 HydrophobicContact CB-CZ3 4.42Å; M159-W163 HydrophobicContact CG-CD2 4.02Å; M159-W163 HydrophobicContact CG-CE3 3.91Å; M159-W163 HydrophobicContact CG-CG 4.48Å; M159-W163 HydrophobicContact CG-CZ3 4.31Å; M159-Y164 HydrophobicContact CB-CD2 4.41Å; M159-Y164 HydrophobicContact CB-CE2 3.87Å; M159-T368 HydrophobicContact CE-CG2 4.35Å; M159-T368 WeakPolarHBondContact CE-O 3.3Å; M159-T368 HydrophobicContact SD-CG2 3.88Å; M159-P370 HydrophobicContact CE-CG 4.48Å; M159-Q856 PolarHBondContact O-NE2 3.49Å
160	E	91.5	Very high	88.7	Confident	33 Å²	33	41 Å²	41	15%	0.154	20%	0.198	C	C	.	.			trans	-67.2	154.4	174.5	55.8	-176.5	-136.3	0	0	112.7	S162 W163 Y164 S371	E160-S162 VanDerWaalsContact C-N 3.29Å; E160-S162 WeakPolarHBondContact CG-OG 3.12Å; E160-S162 PolarHBondContact O-N 3.21Å; E160-S162 PolarHBondContact OE1-OG 3.36Å; E160-W163 HydrophobicContact CG-CB 3.88Å; E160-W163 VanDerWaalsContact O-CB 3.3Å; E160-W163 WeakPolarHBondContact O-CB 3.49Å; E160-W163 PolarHBondContact O-N 2.99Å; E160-Y164 PolarHBondContact O-N 3.38Å; E160-S371 VanDerWaalsContact OE2-CB 3.27Å; E160-S371 WeakPolarHBondContact OE2-CB 3.39Å; E160-S371 PolarHBondContact OE2-N 3.38Å; E160-S371 PolarHBondContact OE2-OG 3.49Å
161	I	92.5	Very high	88.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-34.4	-177.4	-84.5	50	0	0	0	111.5	W163 Y164 D165 F440 Y441 R853 Q856	I161-W163 PolarHBondContact O-N 3.5Å; I161-W163 VanDerWaalsContact O-N 3.16Å; I161-Y164 CarbonylContact O-C 3.5Å; I161-Y164 WeakPolarHBondContact O-CA 3.41Å; I161-Y164 WeakPolarHBondContact O-CB 3.2Å; I161-Y164 PolarHBondContact O-N 2.84Å; I161-D165 PolarHBondContact O-N 3.37Å; I161-F440 HydrophobicContact CB-CB 4.07Å; I161-F440 HydrophobicContact CB-CG 4.36Å; I161-F440 HydrophobicContact CD1-CD1 3.78Å; I161-F440 HydrophobicContact CD1-CE1 4.07Å; I161-F440 HydrophobicContact CD1-CG 4.25Å; I161-F440 HydrophobicContact CG1-CB 4.14Å; I161-F440 HydrophobicContact CG1-CD1 3.93Å; I161-F440 HydrophobicContact CG1-CD2 4.26Å; I161-F440 HydrophobicContact CG1-CE1 4.37Å; I161-F440 HydrophobicContact CG1-CG 3.87Å; I161-F440 HydrophobicContact CG2-CB 4.42Å; I161-Y441 HydrophobicContact CG2-CE1 4.04Å; I161-Y441 HydrophobicContact CG2-CE2 4.1Å; I161-Y441 WeakPolarHBondContact CG2-OH 3.49Å; I161-R853 HydrophobicContact CG1-CG 4.12Å; I161-Q856 HydrophobicContact CD1-CB 4.46Å; I161-Q856 VanDerWaalsContact CD1-CD 3.49Å; I161-Q856 HydrophobicContact CD1-CG 4.42Å
162	S	90.4	Very high	88.1	Confident	11 Å²	11	39.4 Å²	39.4	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-31.9	172.8	39.5	0	0	0	0	113.4	E160	E160-S162 VanDerWaalsContact C-N 3.29Å; E160-S162 WeakPolarHBondContact CG-OG 3.12Å; E160-S162 PolarHBondContact O-N 3.21Å; E160-S162 PolarHBondContact OE1-OG 3.36Å
163	W	91.2	Very high	87.6	Confident	52 Å²	52	40.7 Å²	40.7	20%	0.197	20%	0.199	C	C	.	.	H	α-helix	trans	-74.1	-36.4	175.5	-176.4	91	0	0	0	111.8	M159 E160 I161 R166 S167 L172 L365	M159-W163 HydrophobicContact CB-CB 4.39Å; M159-W163 HydrophobicContact CB-CD2 4.08Å; M159-W163 HydrophobicContact CB-CE3 3.74Å; M159-W163 HydrophobicContact CB-CG 4.36Å; M159-W163 HydrophobicContact CB-CZ3 4.42Å; M159-W163 HydrophobicContact CG-CD2 4.02Å; M159-W163 HydrophobicContact CG-CE3 3.91Å; M159-W163 HydrophobicContact CG-CG 4.48Å; M159-W163 HydrophobicContact CG-CZ3 4.31Å; E160-W163 HydrophobicContact CG-CB 3.88Å; E160-W163 VanDerWaalsContact O-CB 3.3Å; E160-W163 WeakPolarHBondContact O-CB 3.49Å; E160-W163 PolarHBondContact O-N 2.99Å; I161-W163 PolarHBondContact O-N 3.5Å; I161-W163 VanDerWaalsContact O-N 3.16Å; W163-R166 PolarHBondContact O-N 3.01Å; W163-S167 WeakPolarHBondContact CZ2-OG 3.48Å; W163-S167 WeakPolarHBondContact O-CB 3.18Å; W163-S167 PolarHBondContact O-N 3.4Å; W163-S167 VanDerWaalsContact O-N 3.11Å; W163-S167 PolarHBondContact O-OG 3.35Å; W163-L172 HydrophobicContact CH2-CD1 4.1Å; W163-L172 HydrophobicContact CH2-CD2 3.54Å; W163-L172 HydrophobicContact CH2-CG 4.23Å; W163-L172 HydrophobicContact CZ3-CD1 3.88Å; W163-L172 HydrophobicContact CZ3-CD2 4.14Å; W163-L365 HydrophobicContact CH2-CD1 3.63Å; W163-L365 HydrophobicContact CZ2-CD1 3.54Å; W163-L365 HydrophobicContact CZ2-CG 4.3Å
164	Y	90.8	Very high	87.1	Confident	22 Å²	22	43.1 Å²	43.1	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-32.8	174.1	-81.8	-79.6	0	0	0	113.5	V156 M159 E160 I161 R166 S167 L172 V849 I852	V156-Y164 VanDerWaalsContact C-OH 3.27Å; V156-Y164 WeakPolarHBondContact CG1-OH 3.28Å; V156-Y164 PolarHBondContact O-OH 2.92Å; M159-Y164 HydrophobicContact CB-CD2 4.41Å; M159-Y164 HydrophobicContact CB-CE2 3.87Å; E160-Y164 PolarHBondContact O-N 3.38Å; I161-Y164 CarbonylContact O-C 3.5Å; I161-Y164 WeakPolarHBondContact O-CA 3.41Å; I161-Y164 WeakPolarHBondContact O-CB 3.2Å; I161-Y164 PolarHBondContact O-N 2.84Å; Y164-R166 PolarHBondContact O-N 3.33Å; Y164-R166 VanDerWaalsContact O-N 3.16Å; Y164-S167 CarbonylContact O-C 3.59Å; Y164-S167 PolarHBondContact O-N 2.98Å; Y164-S167 VanDerWaalsContact O-N 3.08Å; Y164-L172 HydrophobicContact CD1-CD1 4.17Å; Y164-L172 HydrophobicContact CE1-CD1 3.61Å; Y164-V849 HydrophobicContact CE1-CG1 4.23Å; Y164-I852 HydrophobicContact CD1-CG2 3.93Å; Y164-I852 HydrophobicContact CD2-CG1 4.16Å; Y164-I852 HydrophobicContact CD2-CG2 4.16Å; Y164-I852 HydrophobicContact CE1-CB 4.35Å; Y164-I852 HydrophobicContact CE1-CG1 4.24Å; Y164-I852 HydrophobicContact CE1-CG2 4.14Å; Y164-I852 HydrophobicContact CE2-CD1 4.33Å; Y164-I852 HydrophobicContact CE2-CG1 3.64Å; Y164-I852 HydrophobicContact CE2-CG2 4.38Å; Y164-I852 HydrophobicContact CG-CG2 3.92Å
165	D	85.7	Confident	86.8	Confident	47 Å²	47	40.8 Å²	40.8	25%	0.251	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-26.6	175.6	-60.4	-30.9	0	0	0	111.3	I161 L400 Y441 R853	I161-D165 PolarHBondContact O-N 3.37Å; D165-L400 VanDerWaalsContact C-CD1 3.45Å; D165-L400 HydrophobicContact CB-CD1 3.28Å; D165-L400 WeakPolarHBondContact O-CD1 3.33Å; D165-Y441 PolarHBondContact OD1-OH 2.97Å; D165-Y441 VanDerWaalsContact OD2-CE1 3.31Å; D165-Y441 WeakPolarHBondContact OD2-CE1 3.45Å; D165-Y441 PolarHBondContact OD2-OH 2.81Å; D165-R853 IonicContact OD1-CZ 3.19Å; D165-R853 IonicContact OD1-NH2 3.49Å; D165-R853 PolarHBondContact OD1-NH2 3.14Å
166	R	83.2	Confident	86.5	Confident	114 Å²	114	40.2 Å²	40.2	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-88.5	-26.6	175	-63.8	177.1	178.8	163.4	1	113.2	W163 Y164 P399 L400	W163-R166 PolarHBondContact O-N 3.01Å; Y164-R166 PolarHBondContact O-N 3.33Å; Y164-R166 VanDerWaalsContact O-N 3.16Å; R166-P399 PolarHBondContact NH2-O 3.01Å; R166-P399 VanDerWaalsContact NH2-O 3.16Å; R166-L400 HydrophobicContact CG-CD1 3.86Å; R166-L400 HydrophobicContact CG-CG 4.04Å
167	S	78.3	Confident	86	Confident	23 Å²	23	43.3 Å²	43.3	16%	0.161	22%	0.218	C	C	.	.	S	Bend	trans	-108.2	118.3	-168.4	-54.6	0	0	0	0	111.3	W163 Y164	W163-S167 WeakPolarHBondContact CZ2-OG 3.48Å; W163-S167 WeakPolarHBondContact O-CB 3.18Å; W163-S167 PolarHBondContact O-N 3.4Å; W163-S167 VanDerWaalsContact O-N 3.11Å; W163-S167 PolarHBondContact O-OG 3.35Å; Y164-S167 CarbonylContact O-C 3.59Å; Y164-S167 PolarHBondContact O-N 2.98Å; Y164-S167 VanDerWaalsContact O-N 3.08Å
168	R	76.3	Confident	85.6	Confident	207 Å²	207	46.9 Å²	46.9	78%	0.781	24%	0.237	S	C	*	.			trans	-72.4	135.9	179.4	-62.9	-177.8	-177.1	-177.3	0.6	110.9	G170 E171 L172	R168-G170 PolarHBondContact O-N 3.31Å; R168-E171 HydrophobicContact CB-CB 4.49Å; R168-E171 WeakPolarHBondContact O-CB 3.35Å; R168-E171 PolarHBondContact O-N 3.17Å; R168-L172 PolarHBondContact O-N 3.24Å
169	S	76.2	Confident	85.5	Confident	46 Å²	46	46.9 Å²	46.9	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-55.7	-35.9	177.2	56	0	0	0	0	113.5	L172 T173	S169-L172 PolarHBondContact O-N 3.49Å; S169-T173 PolarHBondContact O-N 3.08Å; S169-T173 VanDerWaalsContact O-N 3.1Å; S169-T173 PolarHBondContact O-OG1 3.43Å
170	G	75.6	Confident	85.4	Confident	49 Å²	49	46.7 Å²	46.7	51%	0.505	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-38	175	0	0	0	0	0	113.6	R168 L172 T173 S174	R168-G170 PolarHBondContact O-N 3.31Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-T173 PolarHBondContact O-N 2.91Å; G170-S174 PolarHBondContact O-N 3.08Å
171	E	83.6	Confident	85.2	Confident	96 Å²	96	46.4 Å²	46.4	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-41.6	176.5	-171.3	-167.1	149.8	0	0	110.8	R168 T173 S174 K175	R168-E171 HydrophobicContact CB-CB 4.49Å; R168-E171 WeakPolarHBondContact O-CB 3.35Å; R168-E171 PolarHBondContact O-N 3.17Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.21Å; E171-S174 PolarHBondContact O-N 2.98Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.17Å; E171-K175 WeakPolarHBondContact OE1-CE 3.44Å; E171-K175 IonicContact OE1-NZ 3.52Å; E171-K175 PolarHBondContact OE1-NZ 3.33Å
172	L	87.8	Confident	85	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-40.1	176.4	-75.2	169.5	0	0	0	112.5	V156 W163 Y164 R168 S169 G170 K175 L176 L365 F845 V849	V156-L172 HydrophobicContact CG1-CD1 4.41Å; V156-L172 HydrophobicContact CG2-CD2 4.19Å; W163-L172 HydrophobicContact CH2-CD1 4.1Å; W163-L172 HydrophobicContact CH2-CD2 3.54Å; W163-L172 HydrophobicContact CH2-CG 4.23Å; W163-L172 HydrophobicContact CZ3-CD1 3.88Å; W163-L172 HydrophobicContact CZ3-CD2 4.14Å; Y164-L172 HydrophobicContact CD1-CD1 4.17Å; Y164-L172 HydrophobicContact CE1-CD1 3.61Å; R168-L172 PolarHBondContact O-N 3.24Å; S169-L172 PolarHBondContact O-N 3.49Å; G170-L172 VanDerWaalsContact C-N 3.35Å; L172-K175 PolarHBondContact O-N 3.2Å; L172-L176 PolarHBondContact O-N 3.2Å; L172-L365 HydrophobicContact CD2-CD1 4.05Å; L172-F845 HydrophobicContact CB-CE1 4.22Å; L172-F845 HydrophobicContact CB-CZ 4.14Å; L172-V849 HydrophobicContact CB-CG1 4.22Å; L172-V849 HydrophobicContact CD1-CG1 3.72Å
173	T	84.6	Confident	85	Confident	26 Å²	26	51.6 Å²	51.6	16%	0.16	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-41.4	177	-55.4	0	0	0	0	111	S169 G170 E171 L176 N177 T846	S169-T173 PolarHBondContact O-N 3.08Å; S169-T173 VanDerWaalsContact O-N 3.1Å; S169-T173 PolarHBondContact O-OG1 3.43Å; G170-T173 PolarHBondContact O-N 2.91Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.21Å; T173-L176 PolarHBondContact O-N 3.02Å; T173-N177 PolarHBondContact O-N 2.99Å; T173-T846 WeakPolarHBondContact CG2-OG1 3.32Å; T173-T846 PolarHBondContact OG1-OG1 2.83Å
174	S	82.4	Confident	84.9	Confident	51 Å²	51	51.1 Å²	51.1	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-38.9	172.8	177	0	0	0	0	112.2	G170 E171 L176 N177 D178 D179	G170-S174 PolarHBondContact O-N 3.08Å; E171-S174 PolarHBondContact O-N 2.98Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 3.37Å; S174-N177 PolarHBondContact O-N 3.23Å; S174-D178 WeakPolarHBondContact O-CA 3Å; S174-D178 WeakPolarHBondContact O-CB 3.32Å; S174-D178 PolarHBondContact O-N 3.04Å; S174-D178 PolarHBondContact OG-OD2 3.39Å; S174-D179 PolarHBondContact O-N 3.22Å
175	K	87.9	Confident	84.7	Confident	39 Å²	39	54.4 Å²	54.4	17%	0.17	27%	0.269	C	S	.	.	I	π-helix	trans	-60.4	-40.3	173.4	-76.5	-179	-176.8	166.8	0	112.5	F152 E171 L172 D179 I180	F152-K175 HydrophobicContact CE2-CB 4.46Å; F152-K175 HydrophobicContact CZ-CB 3.84Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.17Å; E171-K175 WeakPolarHBondContact OE1-CE 3.44Å; E171-K175 IonicContact OE1-NZ 3.52Å; E171-K175 PolarHBondContact OE1-NZ 3.33Å; L172-K175 PolarHBondContact O-N 3.2Å; K175-D179 WeakPolarHBondContact O-CB 3.41Å; K175-I180 PolarHBondContact O-N 2.85Å
176	L	86.9	Confident	84.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-65.4	-44.3	176.8	-179	72.5	0	0	0	112.4	R149 F152 L172 T173 S174 I180 F845 Y868	R149-L176 PolarHBondContact NH1-O 2.92Å; F152-L176 HydrophobicContact CD1-CD1 3.8Å; F152-L176 HydrophobicContact CE1-CB 4.03Å; F152-L176 HydrophobicContact CE1-CD1 4.16Å; L172-L176 PolarHBondContact O-N 3.2Å; T173-L176 PolarHBondContact O-N 3.02Å; S174-L176 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 3.37Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; L176-F845 HydrophobicContact CB-CD1 4.45Å; L176-F845 HydrophobicContact CB-CE1 4.18Å; L176-F845 HydrophobicContact CB-CE2 4.3Å; L176-F845 HydrophobicContact CB-CZ 4.1Å; L176-F845 HydrophobicContact CD1-CD2 4.29Å; L176-F845 HydrophobicContact CD1-CE2 4.32Å; L176-F845 HydrophobicContact CD2-CB 3.62Å; L176-F845 HydrophobicContact CD2-CD1 3.73Å; L176-F845 HydrophobicContact CD2-CD2 3.57Å; L176-F845 HydrophobicContact CD2-CE1 4.28Å; L176-F845 HydrophobicContact CD2-CE2 4.12Å; L176-F845 HydrophobicContact CD2-CG 3.36Å; L176-F845 HydrophobicContact CD2-CZ 4.45Å; L176-F845 HydrophobicContact CG-CD2 4.35Å; L176-F845 HydrophobicContact CG-CE2 4.48Å; L176-F845 HydrophobicContact CG-CG 4.47Å; L176-Y868 WeakPolarHBondContact CD1-OH 3.21Å; L176-Y868 HydrophobicContact CD2-CE2 4.23Å
177	N	83	Confident	85.2	Confident	65 Å²	65	47.6 Å²	47.6	35%	0.348	24%	0.241	S	C	.	.	I	π-helix	trans	-89.6	-46.2	-170.2	-69.1	-22.4	0	0	0	112.3	T173 S174 E181	T173-N177 PolarHBondContact O-N 2.99Å; S174-N177 PolarHBondContact O-N 3.23Å; N177-E181 WeakPolarHBondContact O-CB 3.47Å
178	D	84.7	Confident	85.6	Confident	76 Å²	76	46.7 Å²	46.7	41%	0.406	24%	0.236	S	C	.	.	I	π-helix	trans	-92.8	-50.5	-172.7	-55.4	-39.7	0	0	0	112.4	S174 E181 R182	S174-D178 WeakPolarHBondContact O-CA 3Å; S174-D178 WeakPolarHBondContact O-CB 3.32Å; S174-D178 PolarHBondContact O-N 3.04Å; S174-D178 PolarHBondContact OG-OD2 3.39Å; D178-E181 PolarHBondContact O-N 2.88Å; D178-R182 WeakPolarHBondContact O-CG 3.13Å; D178-R182 PolarHBondContact O-N 3.18Å
179	D	89.9	Confident	86.2	Confident	21 Å²	21	37.7 Å²	37.7	11%	0.112	20%	0.203	C	C	.	.	I	π-helix	trans	-69.3	-43.6	-175.1	-86.6	-11.1	0	0	0	112	S174 K175 E181 R182 V183 S358 S361 V362	S174-D179 PolarHBondContact O-N 3.22Å; K175-D179 WeakPolarHBondContact O-CB 3.41Å; D179-E181 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact O-CB 3.19Å; D179-R182 PolarHBondContact O-N 3.48Å; D179-R182 IonicContact OD1-CZ 3.63Å; D179-R182 IonicContact OD1-NH1 2.9Å; D179-R182 PolarHBondContact OD1-NH1 3.29Å; D179-V183 WeakPolarHBondContact O-CG2 3.43Å; D179-V183 PolarHBondContact O-N 2.86Å; D179-S358 WeakPolarHBondContact O-CB 3.41Å; D179-S358 PolarHBondContact OD1-OG 3.27Å; D179-S361 PolarHBondContact OD2-OG 3.44Å; D179-V362 HydrophobicContact CB-CG2 4.15Å
180	I	90	Very high	86.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-31.3	174.7	-67.5	174.3	0	0	0	111.5	T145 I148 R149 F152 K175 L176 V183 R184 V362	T145-I180 HydrophobicContact CG2-CG2 4Å; I148-I180 HydrophobicContact CG2-CD1 4.07Å; I148-I180 HydrophobicContact CG2-CG1 4.07Å; I148-I180 HydrophobicContact CG2-CG2 4.32Å; R149-I180 HydrophobicContact CG-CD1 4.23Å; R149-I180 HydrophobicContact CG-CG2 3.78Å; F152-I180 HydrophobicContact CB-CD1 4.12Å; F152-I180 HydrophobicContact CD1-CD1 4.04Å; F152-I180 HydrophobicContact CG-CD1 4.02Å; K175-I180 PolarHBondContact O-N 2.85Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; I180-V183 WeakPolarHBondContact O-CB 3.19Å; I180-V183 PolarHBondContact O-N 2.87Å; I180-R184 PolarHBondContact O-N 3.12Å; I180-V362 HydrophobicContact CG1-CG1 4.27Å; I180-V362 HydrophobicContact CG1-CG2 4.09Å
181	E	87.6	Confident	87.7	Confident	27 Å²	27	35.8 Å²	35.8	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-70.5	-40.5	174.8	-171.4	59.3	-156.7	0	0	111.9	R149 N177 D178 D179 V183 R184 E185	R149-E181 IonicContact NH2-OE2 3.97Å; N177-E181 WeakPolarHBondContact O-CB 3.47Å; D178-E181 PolarHBondContact O-N 2.88Å; D179-E181 PolarHBondContact O-N 3.42Å; E181-V183 VanDerWaalsContact C-N 3.26Å; E181-V183 PolarHBondContact O-N 3.14Å; E181-R184 WeakPolarHBondContact O-CA 3.3Å; E181-R184 WeakPolarHBondContact O-CB 3.47Å; E181-R184 PolarHBondContact O-N 3.23Å; E181-R184 VanDerWaalsContact O-N 3.09Å; E181-R184 IonicContact OE1-CZ 2.87Å; E181-R184 IonicContact OE1-NE 2.77Å; E181-R184 PolarHBondContact OE1-NE 3.33Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 3.36Å; E181-R184 IonicContact OE2-CZ 3.78Å; E181-R184 IonicContact OE2-NE 2.71Å; E181-R184 PolarHBondContact OE2-NE 3.37Å; E181-R184 IonicContact OE2-NH2 3.09Å; E181-E185 PolarHBondContact O-N 3.33Å
182	R	88.6	Confident	88.2	Confident	114 Å²	114	31.2 Å²	31.2	43%	0.43	16%	0.155	S	C	.	.	H	α-helix	trans	-59.3	-38.9	170.1	-70.1	169	-175.4	159	1.2	111.7	D178 D179 E185 G186 I354 A355 S358	D178-R182 WeakPolarHBondContact O-CG 3.13Å; D178-R182 PolarHBondContact O-N 3.18Å; D179-R182 WeakPolarHBondContact O-CB 3.19Å; D179-R182 PolarHBondContact O-N 3.48Å; D179-R182 IonicContact OD1-CZ 3.63Å; D179-R182 IonicContact OD1-NH1 2.9Å; D179-R182 PolarHBondContact OD1-NH1 3.29Å; R182-E185 PolarHBondContact O-N 2.95Å; R182-G186 PolarHBondContact O-N 3.35Å; R182-G186 VanDerWaalsContact O-N 3.12Å; R182-I354 HydrophobicContact CG-CG2 4.44Å; R182-A355 VanDerWaalsContact O-CB 3.23Å; R182-A355 WeakPolarHBondContact O-CB 3.46Å; R182-S358 VanDerWaalsContact CD-OG 3.31Å; R182-S358 WeakPolarHBondContact CD-OG 2.99Å
183	V	91.2	Very high	88.5	Confident	6 Å²	6	31.7 Å²	31.7	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-47.5	172.8	174.5	0	0	0	0	110.5	I148 D179 I180 E181 E185 G186 I187 A359	I148-V183 HydrophobicContact CD1-CG1 4.08Å; D179-V183 WeakPolarHBondContact O-CG2 3.43Å; D179-V183 PolarHBondContact O-N 2.86Å; I180-V183 WeakPolarHBondContact O-CB 3.19Å; I180-V183 PolarHBondContact O-N 2.87Å; E181-V183 VanDerWaalsContact C-N 3.26Å; E181-V183 PolarHBondContact O-N 3.14Å; V183-E185 PolarHBondContact O-N 3Å; V183-G186 PolarHBondContact O-N 2.96Å; V183-I187 HydrophobicContact CG1-CD1 4.15Å; V183-I187 HydrophobicContact CG1-CG2 4.26Å; V183-I187 WeakPolarHBondContact O-CG1 3.25Å; V183-I187 PolarHBondContact O-N 3.34Å; V183-A359 HydrophobicContact CG2-CB 3.77Å
184	R	88.6	Confident	88.9	Confident	43 Å²	43	32.1 Å²	32.1	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-55.1	-48.8	176.5	-171.9	-179.3	84.6	137.2	-11	111.6	C141 E142 T145 I180 E181 G186 G188 D834	C141-R184 VanDerWaalsContact SG-CG 3.56Å; C141-R184 PolarHBondContact SG-O 3.37Å; E142-R184 IonicContact OE1-CZ 3.44Å; E142-R184 IonicContact OE1-NH1 3.2Å; E142-R184 PolarHBondContact OE1-NH1 2.9Å; T145-R184 HydrophobicContact CG2-CB 4.13Å; T145-R184 HydrophobicContact CG2-CG 4.23Å; I180-R184 PolarHBondContact O-N 3.12Å; E181-R184 WeakPolarHBondContact O-CA 3.3Å; E181-R184 WeakPolarHBondContact O-CB 3.47Å; E181-R184 PolarHBondContact O-N 3.23Å; E181-R184 VanDerWaalsContact O-N 3.09Å; E181-R184 IonicContact OE1-CZ 2.87Å; E181-R184 IonicContact OE1-NE 2.77Å; E181-R184 PolarHBondContact OE1-NE 3.33Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 3.36Å; E181-R184 IonicContact OE2-CZ 3.78Å; E181-R184 IonicContact OE2-NE 2.71Å; E181-R184 PolarHBondContact OE2-NE 3.37Å; E181-R184 IonicContact OE2-NH2 3.09Å; R184-G186 VanDerWaalsContact C-N 3.31Å; R184-G186 PolarHBondContact O-N 3.33Å; R184-G188 PolarHBondContact O-N 2.84Å; R184-G188 VanDerWaalsContact O-N 3.09Å; R184-D834 IonicContact NH1-OD2 2.68Å; R184-D834 PolarHBondContact NH1-OD2 3Å
185	E	87.3	Confident	89.5	Confident	91 Å²	91	31.3 Å²	31.3	43%	0.425	15%	0.153	S	C	.	.	H	α-helix	trans	-60.2	-40.1	179.3	-71.7	-173	160.1	0	0	112.4	E181 R182 V183 K190 T351	E181-E185 PolarHBondContact O-N 3.33Å; R182-E185 PolarHBondContact O-N 2.95Å; V183-E185 PolarHBondContact O-N 3Å; E185-K190 WeakPolarHBondContact O-CG 3.36Å; E185-T351 HydrophobicContact CB-CG2 4.27Å
186	G	89	Confident	89.9	Confident	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-78.1	-34.1	-178.4	0	0	0	0	0	115.4	R182 V183 R184 V191	R182-G186 PolarHBondContact O-N 3.35Å; R182-G186 VanDerWaalsContact O-N 3.12Å; V183-G186 PolarHBondContact O-N 2.96Å; R184-G186 VanDerWaalsContact C-N 3.31Å; R184-G186 PolarHBondContact O-N 3.33Å; G186-V191 VanDerWaalsContact O-CG2 3.22Å; G186-V191 WeakPolarHBondContact O-CG2 3.49Å
187	I	90.2	Very high	90.2	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.077	16%	0.158	C	C	.	.	H	α-helix	trans	-88.3	-5.4	178.6	73.3	-179	0	0	0	113.3	F39 C141 Q144 V183	F39-I187 HydrophobicContact CE1-CB 4.04Å; F39-I187 HydrophobicContact CE1-CG2 4.26Å; C141-I187 HydrophobicContact CB-CG1 4.33Å; Q144-I187 HydrophobicContact CB-CD1 4.04Å; V183-I187 HydrophobicContact CG1-CD1 4.15Å; V183-I187 HydrophobicContact CG1-CG2 4.26Å; V183-I187 WeakPolarHBondContact O-CG1 3.25Å; V183-I187 PolarHBondContact O-N 3.34Å
188	G	87	Confident	90.7	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-143.8	-180	0	0	0	0	0	114.6	R184 K190	R184-G188 PolarHBondContact O-N 2.84Å; R184-G188 VanDerWaalsContact O-N 3.09Å; G188-K190 PolarHBondContact O-N 3.41Å; G188-K190 VanDerWaalsContact O-N 3.1Å
189	D	88.4	Confident	91.2	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-19.4	179.3	62.7	-11.6	0	0	0	113.8	I134 V191 S192 L193 Y894	I134-D189 HydrophobicContact CD1-CB 3.78Å; D189-V191 PolarHBondContact O-N 3.19Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 3.27Å; D189-S192 VanDerWaalsContact O-N 3.13Å; D189-S192 PolarHBondContact O-OG 2.8Å; D189-L193 WeakPolarHBondContact O-CG 3.47Å; D189-L193 PolarHBondContact O-N 3.2Å; D189-Y894 PolarHBondContact OD2-OH 3.28Å
190	K	91.4	Very high	91.3	Very high	30 Å²	30	29.3 Å²	29.3	13%	0.13	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-35.8	-176.6	-56.6	-66.4	162.8	-100.6	0	113.5	E185 G188 S192 L193 L194 H348 T351	E185-K190 WeakPolarHBondContact O-CG 3.36Å; G188-K190 PolarHBondContact O-N 3.41Å; G188-K190 VanDerWaalsContact O-N 3.1Å; K190-S192 VanDerWaalsContact C-N 3.33Å; K190-L193 HydrophobicContact CD-CD1 4.33Å; K190-L193 PolarHBondContact O-N 2.91Å; K190-L194 PolarHBondContact O-N 2.91Å; K190-H348 WeakPolarHBondContact CD-ND1 3.45Å; K190-T351 HydrophobicContact CG-CG2 4.32Å
191	V	92.4	Very high	91.4	Very high	25 Å²	25	32.7 Å²	32.7	15%	0.152	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-43.6	174.2	-174.5	0	0	0	0	110	F39 W137 G186 D189 L193 L194 C195 I352	F39-V191 HydrophobicContact CZ-CG2 4.42Å; W137-V191 HydrophobicContact CE3-CB 4.13Å; W137-V191 HydrophobicContact CH2-CB 3.68Å; W137-V191 HydrophobicContact CH2-CG1 3.41Å; W137-V191 VanDerWaalsContact CH2-CG1 3.41Å; W137-V191 HydrophobicContact CH2-CG2 4.32Å; W137-V191 HydrophobicContact CZ2-CB 4.11Å; W137-V191 HydrophobicContact CZ2-CG1 3.76Å; W137-V191 HydrophobicContact CZ3-CB 3.68Å; W137-V191 HydrophobicContact CZ3-CG1 3.95Å; W137-V191 HydrophobicContact CZ3-CG2 4.03Å; G186-V191 VanDerWaalsContact O-CG2 3.22Å; G186-V191 WeakPolarHBondContact O-CG2 3.49Å; D189-V191 PolarHBondContact O-N 3.19Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 3.15Å; V191-L194 WeakPolarHBondContact O-CB 3.4Å; V191-L194 PolarHBondContact O-N 3.18Å; V191-C195 PolarHBondContact O-N 2.62Å; V191-C195 PolarHBondContact O-SG 2.76Å; V191-C195 VanDerWaalsContact O-SG 3.42Å; V191-I352 HydrophobicContact CG2-CD1 4.07Å; V191-I352 HydrophobicContact CG2-CG1 4.27Å
192	S	93.9	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-42.3	176.7	89	0	0	0	0	112.1	A57 Q133 D189 K190 L194 C195 Q196	A57-S192 WeakPolarHBondContact CB-O 3.37Å; Q133-S192 PolarHBondContact NE2-O 3.36Å; Q133-S192 PolarHBondContact NE2-OG 3.49Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 3.27Å; D189-S192 VanDerWaalsContact O-N 3.13Å; D189-S192 PolarHBondContact O-OG 2.8Å; K190-S192 VanDerWaalsContact C-N 3.33Å; S192-L194 VanDerWaalsContact C-N 3.35Å; S192-C195 PolarHBondContact O-N 2.83Å; S192-Q196 WeakPolarHBondContact O-CB 3.46Å; S192-Q196 PolarHBondContact O-N 3.06Å
193	L	93.7	Very high	92	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-39.4	177.4	-68.5	169.9	0	0	0	111	D189 K190 V191 Q196 Y197 F898	D189-L193 WeakPolarHBondContact O-CG 3.47Å; D189-L193 PolarHBondContact O-N 3.2Å; K190-L193 HydrophobicContact CD-CD1 4.33Å; K190-L193 PolarHBondContact O-N 2.91Å; V191-L193 VanDerWaalsContact C-N 3.34Å; V191-L193 PolarHBondContact O-N 3.15Å; L193-Q196 PolarHBondContact O-N 3.24Å; L193-Y197 HydrophobicContact CB-CD2 4.44Å; L193-Y197 HydrophobicContact CB-CE2 4.25Å; L193-Y197 WeakPolarHBondContact O-CD2 3.37Å; L193-Y197 PolarHBondContact O-N 3.33Å; L193-F898 HydrophobicContact CD2-CZ 4.01Å
194	L	93.6	Very high	92.1	Very high	35 Å²	35	31 Å²	31	18%	0.183	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-46.3	173.2	-180	64.7	0	0	0	111.3	K190 V191 S192 Y197 T198 A345 H348 L349 I352	K190-L194 PolarHBondContact O-N 2.91Å; V191-L194 WeakPolarHBondContact O-CB 3.4Å; V191-L194 PolarHBondContact O-N 3.18Å; S192-L194 VanDerWaalsContact C-N 3.35Å; L194-Y197 PolarHBondContact O-N 3.24Å; L194-T198 WeakPolarHBondContact O-CB 3.31Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.14Å; L194-A345 HydrophobicContact CD1-CB 3.94Å; L194-H348 HydrophobicContact CB-CB 4.28Å; L194-L349 HydrophobicContact CD1-CD1 4.37Å; L194-L349 HydrophobicContact CD2-CD1 4.38Å; L194-I352 HydrophobicContact CB-CD1 4.31Å; L194-I352 HydrophobicContact CD2-CD1 3.7Å
195	C	94.4	Very high	92.2	Very high	35 Å²	35	29.9 Å²	29.9	24%	0.236	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-44.5	175.7	-68.2	0	0	0	0	111.9	T54 A57 V191 S192 T198 A199	T54-C195 HydrophobicContact CG2-CB 4.28Å; A57-C195 HydrophobicContact CB-CB 4.14Å; V191-C195 PolarHBondContact O-N 2.62Å; V191-C195 PolarHBondContact O-SG 2.76Å; V191-C195 VanDerWaalsContact O-SG 3.42Å; S192-C195 PolarHBondContact O-N 2.83Å; C195-T198 PolarHBondContact O-N 2.84Å; C195-A199 WeakPolarHBondContact O-CB 3.5Å; C195-A199 PolarHBondContact O-N 3.16Å
196	Q	95.7	Very high	92.6	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-51.5	176.6	178.9	-168.3	-23.8	0	0	111.6	A57 H60 G61 S192 L193 T198 A199 A200	A57-Q196 HydrophobicContact CB-CB 4.3Å; A57-Q196 WeakPolarHBondContact O-CA 3.3Å; H60-Q196 VanDerWaalsContact CE1-CD 3.43Å; H60-Q196 PolarHBondContact CE1-NE2 2.83Å; H60-Q196 PolarHBondContact CE1-OE1 3.19Å; H60-Q196 VanDerWaalsContact ND1-CD 3.29Å; H60-Q196 PolarHBondContact ND1-NE2 3.29Å; H60-Q196 PolarHBondContact ND1-OE1 3.21Å; G61-Q196 VanDerWaalsContact CA-O 3.3Å; G61-Q196 WeakPolarHBondContact CA-O 3.36Å; S192-Q196 WeakPolarHBondContact O-CB 3.46Å; S192-Q196 PolarHBondContact O-N 3.06Å; L193-Q196 PolarHBondContact O-N 3.24Å; Q196-T198 VanDerWaalsContact C-N 3.33Å; Q196-T198 PolarHBondContact O-N 3.44Å; Q196-A199 PolarHBondContact O-N 3.22Å; Q196-A200 WeakPolarHBondContact O-CB 3.28Å; Q196-A200 PolarHBondContact O-N 2.87Å
197	Y	93.4	Very high	92.8	Very high	59 Å²	59	29.3 Å²	29.3	23%	0.231	17%	0.169	C	C	.	.	H	α-helix	trans	-68.9	-32.5	-179.3	-70.5	-55	0	0	0	112.6	L193 L194 A200 F201 A341 H348	L193-Y197 HydrophobicContact CB-CD2 4.44Å; L193-Y197 HydrophobicContact CB-CE2 4.25Å; L193-Y197 WeakPolarHBondContact O-CD2 3.37Å; L193-Y197 PolarHBondContact O-N 3.33Å; L194-Y197 PolarHBondContact O-N 3.24Å; Y197-A200 PolarHBondContact O-N 3.05Å; Y197-F201 WeakPolarHBondContact O-CB 3.22Å; Y197-F201 PolarHBondContact O-N 3.39Å; Y197-A341 WeakPolarHBondContact CB-O 3.32Å; Y197-A341 HydrophobicContact CD1-CB 4.02Å; Y197-A341 WeakPolarHBondContact O-CB 3.11Å; Y197-H348 AromaticContact CD2-CD2 3.79Å; Y197-H348 AromaticContact CE2-CD2 3.76Å; Y197-H348 AromaticContact CE2-NE2 3.51Å
198	T	92.9	Very high	92.9	Very high	67 Å²	67	28.6 Å²	28.6	41%	0.411	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-41.7	173.3	-53.2	0	0	0	0	111	L194 C195 Q196 F201 V202	L194-T198 WeakPolarHBondContact O-CB 3.31Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.14Å; C195-T198 PolarHBondContact O-N 2.84Å; Q196-T198 VanDerWaalsContact C-N 3.33Å; Q196-T198 PolarHBondContact O-N 3.44Å; T198-F201 WeakPolarHBondContact O-CB 3.49Å; T198-F201 PolarHBondContact O-N 3.37Å; T198-V202 WeakPolarHBondContact O-CG2 3.37Å; T198-V202 PolarHBondContact O-N 3.36Å
199	A	95.1	Very high	93.2	Very high	15 Å²	15	32 Å²	32	12%	0.124	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-41.3	175	0	0	0	0	0	111.8	I58 C195 Q196 F201 V202 S203	I58-A199 HydrophobicContact CB-CB 4.16Å; I58-A199 HydrophobicContact CG1-CB 4.23Å; I58-A199 HydrophobicContact CG2-CB 3.96Å; C195-A199 WeakPolarHBondContact O-CB 3.5Å; C195-A199 PolarHBondContact O-N 3.16Å; Q196-A199 PolarHBondContact O-N 3.22Å; A199-F201 VanDerWaalsContact C-N 3.34Å; A199-F201 PolarHBondContact O-N 2.78Å; A199-V202 PolarHBondContact O-N 3.26Å; A199-S203 VanDerWaalsContact O-CB 3.3Å; A199-S203 WeakPolarHBondContact O-CB 3.4Å; A199-S203 PolarHBondContact O-N 2.87Å; A199-S203 PolarHBondContact O-OG 3.34Å
200	A	93.7	Very high	93.4	Very high	9 Å²	9	39.5 Å²	39.5	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-40.3	173.7	0	0	0	0	0	112.1	G61 P65 Q196 Y197 S203 G204 G338 A341	G61-A200 VanDerWaalsContact O-CA 3.27Å; G61-A200 WeakPolarHBondContact O-CA 3.37Å; G61-A200 WeakPolarHBondContact O-CB 3.46Å; P65-A200 WeakPolarHBondContact CG-O 3.45Å; Q196-A200 WeakPolarHBondContact O-CB 3.28Å; Q196-A200 PolarHBondContact O-N 2.87Å; Y197-A200 PolarHBondContact O-N 3.05Å; A200-S203 PolarHBondContact O-OG 3.49Å; A200-G204 PolarHBondContact O-N 2.98Å; A200-G338 WeakPolarHBondContact O-CA 3.29Å; A200-A341 HydrophobicContact CB-CB 3.56Å
201	F	91.5	Very high	93.3	Very high	71 Å²	71	40.9 Å²	40.9	31%	0.311	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-58.5	171.9	171.9	-105.7	0	0	0	110.8	Y197 T198 A199 S203 G204 F205 G338 F342	Y197-F201 WeakPolarHBondContact O-CB 3.22Å; Y197-F201 PolarHBondContact O-N 3.39Å; T198-F201 WeakPolarHBondContact O-CB 3.49Å; T198-F201 PolarHBondContact O-N 3.37Å; A199-F201 VanDerWaalsContact C-N 3.34Å; A199-F201 PolarHBondContact O-N 2.78Å; F201-S203 PolarHBondContact O-N 3.23Å; F201-G204 PolarHBondContact O-N 3.1Å; F201-F205 AromaticContact CD2-CD2 3.63Å; F201-F205 HydrophobicContact CD2-CD2 3.63Å; F201-F205 AromaticContact CD2-CE2 3.44Å; F201-F205 HydrophobicContact CD2-CE2 3.44Å; F201-F205 VanDerWaalsContact CD2-CE2 3.44Å; F201-F205 AromaticContact CE2-CD2 3.53Å; F201-F205 HydrophobicContact CE2-CD2 3.53Å; F201-F205 AromaticContact CE2-CE2 3.22Å; F201-F205 HydrophobicContact CE2-CE2 3.22Å; F201-F205 HydrophobicContact CE2-CZ 4.04Å; F201-F205 HydrophobicContact CG-CD2 4.36Å; F201-F205 HydrophobicContact CZ-CD2 4.18Å; F201-F205 HydrophobicContact CZ-CE2 4.2Å; F201-F205 VanDerWaalsContact O-CD2 3.3Å; F201-F205 WeakPolarHBondContact O-CD2 3.48Å; F201-F205 PolarHBondContact O-N 3.11Å; F201-F205 VanDerWaalsContact O-N 3.1Å; F201-G338 WeakPolarHBondContact CD2-O 3.35Å; F201-F342 HydrophobicContact CD2-CB 3.85Å; F201-F342 HydrophobicContact CD2-CD2 4.3Å; F201-F342 HydrophobicContact CD2-CG 4.46Å; F201-F342 HydrophobicContact CE2-CB 4.31Å; F201-F342 HydrophobicContact CE2-CD2 4.26Å; F201-F342 HydrophobicContact CG-CB 4.48Å
202	V	94.2	Very high	93.1	Very high	88 Å²	88	40.2 Å²	40.2	53%	0.533	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-48	-176.3	175.3	0	0	0	0	111.9	T198 A199 F205 A206	T198-V202 WeakPolarHBondContact O-CG2 3.37Å; T198-V202 PolarHBondContact O-N 3.36Å; A199-V202 PolarHBondContact O-N 3.26Å; V202-F205 PolarHBondContact O-N 3.46Å; V202-A206 VanDerWaalsContact O-CB 3.27Å; V202-A206 WeakPolarHBondContact O-CB 3.04Å; V202-A206 PolarHBondContact O-N 2.96Å
203	S	95	Very high	92.9	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-37.7	179.9	56.8	0	0	0	0	112.8	P65 A199 A200 F201 A206 I207	P65-S203 WeakPolarHBondContact CG-OG 3.34Å; A199-S203 VanDerWaalsContact O-CB 3.3Å; A199-S203 WeakPolarHBondContact O-CB 3.4Å; A199-S203 PolarHBondContact O-N 2.87Å; A199-S203 PolarHBondContact O-OG 3.34Å; A200-S203 PolarHBondContact O-OG 3.49Å; F201-S203 PolarHBondContact O-N 3.23Å; S203-A206 PolarHBondContact O-N 3.07Å; S203-I207 WeakPolarHBondContact O-CB 3.22Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.28Å; S203-I207 PolarHBondContact O-N 2.89Å
204	G	92.5	Very high	92.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-47.4	174.5	0	0	0	0	0	112.9	A200 F201 G208 A334	A200-G204 PolarHBondContact O-N 2.98Å; F201-G204 PolarHBondContact O-N 3.1Å; G204-G208 PolarHBondContact O-N 2.98Å; G204-G208 VanDerWaalsContact O-N 3.09Å; G204-A334 VanDerWaalsContact CA-O 3.24Å; G204-A334 WeakPolarHBondContact CA-O 3.33Å; G204-A334 CarbonylContact O-C 3.57Å; G204-A334 VanDerWaalsContact O-CB 3.32Å; G204-A334 WeakPolarHBondContact O-CB 3.29Å
205	F	91.9	Very high	92.4	Very high	21 Å²	21	49.6 Å²	49.6	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-70.7	-41.2	176.5	-79.7	-86.9	0	0	0	112.2	F201 V202 I207 G208 F209 M220 I335	F201-F205 AromaticContact CD2-CD2 3.63Å; F201-F205 HydrophobicContact CD2-CD2 3.63Å; F201-F205 AromaticContact CD2-CE2 3.44Å; F201-F205 HydrophobicContact CD2-CE2 3.44Å; F201-F205 VanDerWaalsContact CD2-CE2 3.44Å; F201-F205 AromaticContact CE2-CD2 3.53Å; F201-F205 HydrophobicContact CE2-CD2 3.53Å; F201-F205 AromaticContact CE2-CE2 3.22Å; F201-F205 HydrophobicContact CE2-CE2 3.22Å; F201-F205 HydrophobicContact CE2-CZ 4.04Å; F201-F205 HydrophobicContact CG-CD2 4.36Å; F201-F205 HydrophobicContact CZ-CD2 4.18Å; F201-F205 HydrophobicContact CZ-CE2 4.2Å; F201-F205 VanDerWaalsContact O-CD2 3.3Å; F201-F205 WeakPolarHBondContact O-CD2 3.48Å; F201-F205 PolarHBondContact O-N 3.11Å; F201-F205 VanDerWaalsContact O-N 3.1Å; V202-F205 PolarHBondContact O-N 3.46Å; F205-I207 PolarHBondContact O-N 2.68Å; F205-G208 PolarHBondContact O-N 3.4Å; F205-F209 HydrophobicContact CB-CD2 4.47Å; F205-F209 HydrophobicContact CD1-CE2 4.25Å; F205-F209 VanDerWaalsContact O-CD2 3.24Å; F205-F209 WeakPolarHBondContact O-CD2 3.36Å; F205-F209 PolarHBondContact O-N 3.27Å; F205-M220 HydrophobicContact CD1-CG 4.19Å; F205-M220 HydrophobicContact CD1-SD 4.27Å; F205-M220 HydrophobicContact CE1-CG 3.57Å; F205-M220 HydrophobicContact CE1-SD 4.18Å; F205-I335 HydrophobicContact CE1-CG2 3.89Å; F205-I335 HydrophobicContact CZ-CG2 3.98Å
206	A	94.5	Very high	92.2	Very high	57 Å²	57	47.9 Å²	47.9	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-59	-46.9	177.8	0	0	0	0	0	112.2	V202 S203 F209 F210	V202-A206 VanDerWaalsContact O-CB 3.27Å; V202-A206 WeakPolarHBondContact O-CB 3.04Å; V202-A206 PolarHBondContact O-N 2.96Å; S203-A206 PolarHBondContact O-N 3.07Å; A206-F209 PolarHBondContact O-N 3.01Å; A206-F210 WeakPolarHBondContact O-CB 3.46Å; A206-F210 PolarHBondContact O-N 3.25Å
207	I	93.9	Very high	91.8	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-42.9	176	-68.2	169.8	0	0	0	110.5	P65 I69 S203 F205 F210 Y211 T330 A334	P65-I207 HydrophobicContact CB-CD1 3.77Å; I69-I207 HydrophobicContact CD1-CD1 4.02Å; I69-I207 HydrophobicContact CD1-CG1 4.27Å; I69-I207 HydrophobicContact CD1-CG2 4.05Å; I69-I207 HydrophobicContact CG1-CG2 3.84Å; S203-I207 WeakPolarHBondContact O-CB 3.22Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.28Å; S203-I207 PolarHBondContact O-N 2.89Å; F205-I207 PolarHBondContact O-N 2.68Å; I207-F210 PolarHBondContact O-N 3.05Å; I207-Y211 HydrophobicContact CG2-CD2 4.06Å; I207-Y211 HydrophobicContact CG2-CE2 4.25Å; I207-Y211 WeakPolarHBondContact O-CD2 3.37Å; I207-Y211 PolarHBondContact O-N 3.43Å; I207-T330 HydrophobicContact CG2-CG2 3.97Å; I207-A334 HydrophobicContact CB-CB 4.1Å; I207-A334 HydrophobicContact CG2-CB 3.89Å
208	G	91.3	Very high	91.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-53.4	176.1	0	0	0	0	0	112.3	G204 F205 F210 Y211 S212 S216	G204-G208 PolarHBondContact O-N 2.98Å; G204-G208 VanDerWaalsContact O-N 3.09Å; F205-G208 PolarHBondContact O-N 3.4Å; G208-F210 VanDerWaalsContact C-N 3.31Å; G208-F210 PolarHBondContact O-N 3.14Å; G208-Y211 PolarHBondContact O-N 2.99Å; G208-S212 CarbonylContact O-C 3.48Å; G208-S212 PolarHBondContact O-N 3Å; G208-S216 PolarHBondContact O-OG 3.25Å
209	F	93.2	Very high	91	Very high	77 Å²	77	47.8 Å²	47.8	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-35.6	-179.3	-85	-71.1	0	0	0	113.1	F205 A206 W213 S216 L217 M220	F205-F209 HydrophobicContact CB-CD2 4.47Å; F205-F209 HydrophobicContact CD1-CE2 4.25Å; F205-F209 VanDerWaalsContact O-CD2 3.24Å; F205-F209 WeakPolarHBondContact O-CD2 3.36Å; F205-F209 PolarHBondContact O-N 3.27Å; A206-F209 PolarHBondContact O-N 3.01Å; F209-W213 HydrophobicContact CD1-CB 3.87Å; F209-W213 HydrophobicContact CE1-CB 4.5Å; F209-W213 PolarHBondContact O-N 3.37Å; F209-S216 PolarHBondContact N-OG 3.35Å; F209-L217 HydrophobicContact CE1-CD2 4.1Å; F209-L217 HydrophobicContact CE1-CG 4.17Å; F209-L217 HydrophobicContact CZ-CD2 4.17Å; F209-M220 HydrophobicContact CE2-SD 3.69Å; F209-M220 HydrophobicContact CZ-SD 3.4Å; F209-M220 WeakPolarHBondContact CZ-SD 3.48Å
210	F	93.1	Very high	90.3	Very high	175 Å²	175	50.1 Å²	50.1	77%	0.768	25%	0.247	S	C	*	.	H	α-helix	trans	-64.3	-44.6	177.9	-177	-96.9	0	0	0	112.5	A206 I207 G208	A206-F210 WeakPolarHBondContact O-CB 3.46Å; A206-F210 PolarHBondContact O-N 3.25Å; I207-F210 PolarHBondContact O-N 3.05Å; G208-F210 VanDerWaalsContact C-N 3.31Å; G208-F210 PolarHBondContact O-N 3.14Å
211	Y	88.8	Confident	89.5	Confident	59 Å²	59	52.9 Å²	52.9	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-79.8	-41.1	-179.1	-84.5	-92.5	0	0	0	113.3	I69 I207 G208 A327 T330	I69-Y211 HydrophobicContact CD1-CE2 4.16Å; I69-Y211 HydrophobicContact CG1-CE2 3.9Å; I69-Y211 VanDerWaalsContact CG2-OH 3.26Å; I69-Y211 WeakPolarHBondContact CG2-OH 3.38Å; I207-Y211 HydrophobicContact CG2-CD2 4.06Å; I207-Y211 HydrophobicContact CG2-CE2 4.25Å; I207-Y211 WeakPolarHBondContact O-CD2 3.37Å; I207-Y211 PolarHBondContact O-N 3.43Å; G208-Y211 PolarHBondContact O-N 2.99Å; Y211-A327 HydrophobicContact CD1-CB 4.14Å; Y211-T330 HydrophobicContact CD1-CG2 4.36Å; Y211-T330 HydrophobicContact CD2-CG2 3.76Å; Y211-T330 HydrophobicContact CE1-CG2 4.44Å; Y211-T330 HydrophobicContact CE2-CG2 3.87Å; Y211-T330 HydrophobicContact CG-CG2 4.03Å
212	S	89.3	Confident	88.2	Confident	11 Å²	11	50.6 Å²	50.6	8%	0.077	26%	0.256	C	S	.	.			trans	-158	102	173.2	-175.4	0	0	0	0	111.3	G208 K214 L215 S216	G208-S212 CarbonylContact O-C 3.48Å; G208-S212 PolarHBondContact O-N 3Å; S212-K214 VanDerWaalsContact C-N 3.3Å; S212-K214 PolarHBondContact O-N 3.28Å; S212-L215 PolarHBondContact OG-N 2.97Å; S212-S216 WeakPolarHBondContact O-CB 3.43Å; S212-S216 PolarHBondContact O-N 3.48Å; S212-S216 PolarHBondContact O-OG 3.35Å
213	W	89.9	Confident	86.9	Confident	152 Å²	152	49.1 Å²	49.1	58%	0.576	25%	0.25	S	C	*	.	H	α-helix	trans	-63.8	-34.9	176.2	72.7	-93.5	0	0	0	112.6	F209 S216 L217	F209-W213 HydrophobicContact CD1-CB 3.87Å; F209-W213 HydrophobicContact CE1-CB 4.5Å; F209-W213 PolarHBondContact O-N 3.37Å; W213-S216 PolarHBondContact O-N 3Å; W213-L217 HydrophobicContact CE3-CD1 3.57Å; W213-L217 HydrophobicContact CZ3-CD1 3.63Å; W213-L217 WeakPolarHBondContact O-CG 3.26Å; W213-L217 PolarHBondContact O-N 3.07Å; W213-L217 VanDerWaalsContact O-N 3.1Å
214	K	89.7	Confident	85.5	Confident	87 Å²	87	52.4 Å²	52.4	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-50.3	179	-65.5	179.8	-178.9	171.6	0	111.4	S212 S216 L217 V218 Y312 L316	S212-K214 VanDerWaalsContact C-N 3.3Å; S212-K214 PolarHBondContact O-N 3.28Å; K214-S216 VanDerWaalsContact C-N 3.29Å; K214-S216 PolarHBondContact O-N 2.89Å; K214-L217 PolarHBondContact O-N 2.71Å; K214-V218 PolarHBondContact O-N 3.02Å; K214-Y312 HydrophobicContact CB-CE1 4.2Å; K214-L316 HydrophobicContact CD-CD1 4Å
215	L	86.3	Confident	84.2	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-33.2	179	-175.3	62.1	0	0	0	111.6	S212 V218 M219 A309 Y312 I328 V331	S212-L215 PolarHBondContact OG-N 2.97Å; L215-V218 PolarHBondContact O-N 3.43Å; L215-M219 PolarHBondContact O-N 3.48Å; L215-M219 VanDerWaalsContact O-N 3.12Å; L215-A309 HydrophobicContact CD1-CB 4.17Å; L215-A309 WeakPolarHBondContact CD1-O 3.38Å; L215-Y312 HydrophobicContact CD1-CD1 4.22Å; L215-I328 HydrophobicContact CD2-CB 4.3Å; L215-I328 HydrophobicContact CD2-CG1 4.33Å; L215-I328 HydrophobicContact CD2-CG2 3.98Å; L215-V331 HydrophobicContact CB-CG1 4.22Å; L215-V331 HydrophobicContact CD2-CB 4.04Å; L215-V331 HydrophobicContact CD2-CG1 3.95Å; L215-V331 HydrophobicContact CG-CG1 4.02Å
216	S	89.8	Confident	82.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-43.1	177.9	-60.5	0	0	0	0	113.1	G208 F209 S212 W213 K214 V218 M219 M220 I335	G208-S216 PolarHBondContact O-OG 3.25Å; F209-S216 PolarHBondContact N-OG 3.35Å; S212-S216 WeakPolarHBondContact O-CB 3.43Å; S212-S216 PolarHBondContact O-N 3.48Å; S212-S216 PolarHBondContact O-OG 3.35Å; W213-S216 PolarHBondContact O-N 3Å; K214-S216 VanDerWaalsContact C-N 3.29Å; K214-S216 PolarHBondContact O-N 2.89Å; S216-V218 VanDerWaalsContact C-N 3.32Å; S216-V218 PolarHBondContact O-N 2.79Å; S216-M219 PolarHBondContact O-N 3.36Å; S216-M220 WeakPolarHBondContact O-CG 3.36Å; S216-M220 PolarHBondContact O-N 3.03Å; S216-I335 VanDerWaalsContact CA-CD1 3.4Å; S216-I335 WeakPolarHBondContact OG-CD1 3.17Å
217	L	88.1	Confident	81	Confident	90 Å²	90	57.4 Å²	57.4	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-38.2	176.2	-72.2	173.2	0	0	0	112.4	F209 W213 K214 M219 M220	F209-L217 HydrophobicContact CE1-CD2 4.1Å; F209-L217 HydrophobicContact CE1-CG 4.17Å; F209-L217 HydrophobicContact CZ-CD2 4.17Å; W213-L217 HydrophobicContact CE3-CD1 3.57Å; W213-L217 HydrophobicContact CZ3-CD1 3.63Å; W213-L217 WeakPolarHBondContact O-CG 3.26Å; W213-L217 PolarHBondContact O-N 3.07Å; W213-L217 VanDerWaalsContact O-N 3.1Å; K214-L217 PolarHBondContact O-N 2.71Å; L217-M219 VanDerWaalsContact C-N 3.33Å; L217-M219 PolarHBondContact O-N 3.2Å; L217-M220 HydrophobicContact CD2-SD 4.39Å; L217-M220 WeakPolarHBondContact O-CB 3.43Å; L217-M220 PolarHBondContact O-N 3.14Å
218	V	85.9	Confident	79.4	Confident	31 Å²	31	61.5 Å²	61.5	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-43.7	175.4	175.1	0	0	0	0	110.5	K214 L215 S216 M220 S221 L308 Y312	K214-V218 PolarHBondContact O-N 3.02Å; L215-V218 PolarHBondContact O-N 3.43Å; S216-V218 VanDerWaalsContact C-N 3.32Å; S216-V218 PolarHBondContact O-N 2.79Å; V218-M220 VanDerWaalsContact C-N 3.34Å; V218-M220 PolarHBondContact O-N 3.21Å; V218-S221 WeakPolarHBondContact O-CB 3.3Å; V218-S221 PolarHBondContact O-N 2.63Å; V218-S221 PolarHBondContact O-OG 3.19Å; V218-L308 HydrophobicContact CG1-CD2 3.67Å; V218-L308 HydrophobicContact CG1-CG 3.79Å; V218-Y312 HydrophobicContact CG2-CD1 3.84Å; V218-Y312 HydrophobicContact CG2-CE1 4.07Å; V218-Y312 HydrophobicContact CG2-CG 4.35Å
219	M	82.6	Confident	77.8	Confident	10 Å²	10	65.4 Å²	65.4	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-30.9	176.7	-72.2	-72.9	-78.4	0	0	113	L215 S216 L217 S221 L222 T305 Y306 A309 F332 I335	L215-M219 PolarHBondContact O-N 3.48Å; L215-M219 VanDerWaalsContact O-N 3.12Å; S216-M219 PolarHBondContact O-N 3.36Å; L217-M219 VanDerWaalsContact C-N 3.33Å; L217-M219 PolarHBondContact O-N 3.2Å; M219-S221 PolarHBondContact O-N 3.16Å; M219-L222 PolarHBondContact O-N 3.27Å; M219-T305 HydrophobicContact SD-CG2 3.75Å; M219-Y306 HydrophobicContact CE-CD1 4.37Å; M219-Y306 HydrophobicContact CE-CE1 4.41Å; M219-A309 HydrophobicContact CG-CB 3.92Å; M219-A309 HydrophobicContact SD-CB 3.24Å; M219-A309 WeakPolarHBondContact SD-CB 3.42Å; M219-F332 HydrophobicContact CE-CD2 3.66Å; M219-F332 HydrophobicContact CE-CE2 3.94Å; M219-F332 HydrophobicContact CE-CG 4.45Å; M219-F332 HydrophobicContact SD-CD2 4.32Å; M219-I335 HydrophobicContact CB-CD1 3.92Å; M219-I335 HydrophobicContact CB-CG2 3.89Å; M219-I335 HydrophobicContact CG-CD1 4.4Å
220	M	81	Confident	76.1	Confident	65 Å²	65	65.8 Å²	65.8	32%	0.32	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-19.7	177.9	-85.7	-177.1	74.8	0	0	114.6	F205 F209 S216 L217 V218 L222 S223	F205-M220 HydrophobicContact CD1-CG 4.19Å; F205-M220 HydrophobicContact CD1-SD 4.27Å; F205-M220 HydrophobicContact CE1-CG 3.57Å; F205-M220 HydrophobicContact CE1-SD 4.18Å; F209-M220 HydrophobicContact CE2-SD 3.69Å; F209-M220 HydrophobicContact CZ-SD 3.4Å; F209-M220 WeakPolarHBondContact CZ-SD 3.48Å; S216-M220 WeakPolarHBondContact O-CG 3.36Å; S216-M220 PolarHBondContact O-N 3.03Å; L217-M220 HydrophobicContact CD2-SD 4.39Å; L217-M220 WeakPolarHBondContact O-CB 3.43Å; L217-M220 PolarHBondContact O-N 3.14Å; V218-M220 VanDerWaalsContact C-N 3.34Å; V218-M220 PolarHBondContact O-N 3.21Å; M220-L222 PolarHBondContact O-N 2.58Å; M220-S223 PolarHBondContact O-N 3.33Å; M220-S223 PolarHBondContact O-OG 3.28Å
221	S	76.2	Confident	74.5	Confident	67 Å²	67	59.7 Å²	59.7	47%	0.469	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.4	175.8	63.6	0	0	0	0	113.6	V218 M219	V218-S221 WeakPolarHBondContact O-CB 3.3Å; V218-S221 PolarHBondContact O-N 2.63Å; V218-S221 PolarHBondContact O-OG 3.19Å; M219-S221 PolarHBondContact O-N 3.16Å
222	L	65.5	Low	73.2	Confident	22 Å²	22	60.2 Å²	60.2	12%	0.115	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.6	179.9	-167.3	68.9	0	0	0	114.2	M219 M220 P224 L225 S301 T305	M219-L222 PolarHBondContact O-N 3.27Å; M220-L222 PolarHBondContact O-N 2.58Å; L222-P224 VanDerWaalsContact C-CD 3.47Å; L222-L225 PolarHBondContact O-N 3.3Å; L222-S301 WeakPolarHBondContact CD1-OG 3.12Å; L222-T305 HydrophobicContact CB-CG2 4.23Å
223	S	66	Low	72.1	Confident	57 Å²	57	63 Å²	63	40%	0.399	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.5	-35.3	-171.7	62.1	0	0	0	0	115.2	M220 L225	M220-S223 PolarHBondContact O-N 3.33Å; M220-S223 PolarHBondContact O-OG 3.28Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.22Å
224	P	65.1	Low	71.2	Confident	92 Å²	92	62.3 Å²	62.3	60%	0.597	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-70.1	-27.1	177.1	-19	34.1	0	0	0	113.6	L222 L226 A227	L222-P224 VanDerWaalsContact C-CD 3.47Å; P224-L226 VanDerWaalsContact C-N 3.32Å; P224-L226 PolarHBondContact O-N 2.66Å; P224-A227 WeakPolarHBondContact O-CB 3.23Å; P224-A227 PolarHBondContact O-N 2.91Å
225	L	65.9	Low	70.4	Confident	69 Å²	69	59.3 Å²	59.3	36%	0.361	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-71.8	-24.9	-177.3	-85.8	142	0	0	0	112.9	L222 S223 A227 L228 I297	L222-L225 PolarHBondContact O-N 3.3Å; S223-L225 VanDerWaalsContact C-N 3.34Å; S223-L225 PolarHBondContact O-N 3.22Å; L225-A227 PolarHBondContact O-N 2.85Å; L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 3.31Å; L225-I297 HydrophobicContact CD2-CG2 3.69Å
226	L	62	Low	69.6	Low	52 Å²	52	61.2 Å²	61.2	27%	0.272	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-68	-25.1	174	-65.2	175.7	0	0	0	112.3	P224 L228 S229 T298	P224-L226 VanDerWaalsContact C-N 3.32Å; P224-L226 PolarHBondContact O-N 2.66Å; L226-L228 PolarHBondContact O-N 3.22Å; L226-S229 WeakPolarHBondContact O-CB 3.26Å; L226-S229 PolarHBondContact O-N 3.3Å; L226-S229 PolarHBondContact O-OG 3.29Å; L226-T298 HydrophobicContact CD2-CG2 4.26Å
227	A	58.4	Low	68.8	Low	63 Å²	63	68.8 Å²	68.8	52%	0.521	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-67.5	-20.5	176.9	0	0	0	0	0	113.2	P224 L225 S229 S230	P224-A227 WeakPolarHBondContact O-CB 3.23Å; P224-A227 PolarHBondContact O-N 2.91Å; L225-A227 PolarHBondContact O-N 2.85Å; A227-S229 PolarHBondContact O-N 2.74Å; A227-S230 WeakPolarHBondContact O-CB 3.46Å; A227-S230 PolarHBondContact O-N 3.28Å; A227-S230 PolarHBondContact O-OG 2.96Å
228	L	60.1	Low	68.5	Low	108 Å²	108	70 Å²	70	57%	0.565	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.4	178.4	-147.6	75.6	0	0	0	112.8	L225 L226 S230 A231 I297	L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 3.31Å; L226-L228 PolarHBondContact O-N 3.22Å; L228-S230 PolarHBondContact O-N 2.98Å; L228-A231 PolarHBondContact O-N 3.49Å; L228-I297 HydrophobicContact CD2-CD1 4.25Å
229	S	57	Low	68.2	Low	83 Å²	83	70 Å²	70	58%	0.58	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-63	-17.6	173.3	65.2	0	0	0	0	113.8	L226 A227 A231 L232	L226-S229 WeakPolarHBondContact O-CB 3.26Å; L226-S229 PolarHBondContact O-N 3.3Å; L226-S229 PolarHBondContact O-OG 3.29Å; A227-S229 PolarHBondContact O-N 2.74Å; S229-A231 VanDerWaalsContact C-N 3.26Å; S229-A231 PolarHBondContact O-N 3.2Å; S229-L232 PolarHBondContact O-N 2.71Å
230	S	57.9	Low	67.9	Low	84 Å²	84	76.3 Å²	76.3	59%	0.587	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-64	-25	178.2	59.4	0	0	0	0	114.2	A227 L228 L232 S233	A227-S230 WeakPolarHBondContact O-CB 3.46Å; A227-S230 PolarHBondContact O-N 3.28Å; A227-S230 PolarHBondContact O-OG 2.96Å; L228-S230 PolarHBondContact O-N 2.98Å; S230-L232 PolarHBondContact O-N 2.95Å; S230-S233 PolarHBondContact O-N 3.07Å
231	A	59.4	Low	67.8	Low	48 Å²	48	81.3 Å²	81.3	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-25.4	178.3	0	0	0	0	0	113.4	L228 S229 S233 Y234 M235	L228-A231 PolarHBondContact O-N 3.49Å; S229-A231 VanDerWaalsContact C-N 3.26Å; S229-A231 PolarHBondContact O-N 3.2Å; A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 3.31Å; A231-Y234 PolarHBondContact O-N 3.35Å; A231-M235 PolarHBondContact O-N 3.18Å
232	L	62.2	Low	68.1	Low	70 Å²	70	80.1 Å²	80.1	37%	0.366	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-43.2	176.7	-116.3	68.3	0	0	0	112	S229 S230 Y234 M235 A236 I291	S229-L232 PolarHBondContact O-N 2.71Å; S230-L232 PolarHBondContact O-N 2.95Å; L232-Y234 PolarHBondContact O-N 3.43Å; L232-M235 PolarHBondContact O-N 3.48Å; L232-A236 PolarHBondContact O-N 3.3Å; L232-A236 VanDerWaalsContact O-N 3.08Å; L232-I291 HydrophobicContact CD1-CB 4.3Å; L232-I291 HydrophobicContact CD1-CG1 3.56Å; L232-I291 HydrophobicContact CD2-CG1 3.99Å; L232-I291 HydrophobicContact CG-CD1 4.47Å; L232-I291 HydrophobicContact CG-CG1 3.72Å
233	S	64.2	Low	69	Low	68 Å²	68	80.3 Å²	80.3	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-23.2	-176.3	-60.7	0	0	0	0	112.6	S230 A231 R237	S230-S233 PolarHBondContact O-N 3.07Å; A231-S233 VanDerWaalsContact C-N 3.34Å; A231-S233 PolarHBondContact O-N 3.31Å; S233-R237 PolarHBondContact O-NE 2.93Å
234	Y	71	Confident	69.8	Low	139 Å²	139	80.1 Å²	80.1	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-75.7	-45.7	173.6	177.2	-102.4	0	0	0	111.6	A231 L232 A236 R237 R238	A231-Y234 PolarHBondContact O-N 3.35Å; L232-Y234 PolarHBondContact O-N 3.43Å; Y234-A236 PolarHBondContact O-N 3.16Å; Y234-R237 PolarHBondContact O-N 3.23Å; Y234-R238 VanDerWaalsContact CE1-CD 3.45Å; Y234-R238 HydrophobicContact CE1-CG 4.34Å; Y234-R238 PolarHBondContact O-N 3.18Å
235	M	73.6	Confident	70.7	Confident	23 Å²	23	78 Å²	78	11%	0.113	42%	0.421	C	S	.	.	H	α-helix	trans	-65.7	-39.5	-179.6	-68.4	-66.5	-74.9	0	0	112.4	A231 L232 R237 R238 E239 L283 R286 K287	A231-M235 PolarHBondContact O-N 3.18Å; L232-M235 PolarHBondContact O-N 3.48Å; M235-R237 VanDerWaalsContact C-N 3.33Å; M235-R237 PolarHBondContact O-N 3.06Å; M235-R238 PolarHBondContact O-N 2.89Å; M235-E239 PolarHBondContact O-N 3.12Å; M235-E239 VanDerWaalsContact O-N 3.1Å; M235-L283 HydrophobicContact CE-CD1 3.72Å; M235-R286 HydrophobicContact CE-CB 4.22Å; M235-K287 HydrophobicContact CB-CB 4.41Å; M235-K287 HydrophobicContact CB-CG 4.23Å; M235-K287 HydrophobicContact CE-CB 4.27Å
236	A	70.6	Confident	71.7	Confident	44 Å²	44	74.8 Å²	74.8	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-40.1	176.2	0	0	0	0	0	112.6	L232 Y234 E239 Q240	L232-A236 PolarHBondContact O-N 3.3Å; L232-A236 VanDerWaalsContact O-N 3.08Å; Y234-A236 PolarHBondContact O-N 3.16Å; A236-E239 PolarHBondContact O-N 2.93Å; A236-Q240 PolarHBondContact O-N 3.38Å
237	R	72.9	Confident	72.9	Confident	160 Å²	160	73.4 Å²	73.4	60%	0.604	40%	0.399	S	S	*	.	H	α-helix	trans	-66.2	-37.7	176.6	-80.3	-177	-85.8	-159.4	-1.3	112.6	S233 Y234 M235 K241	S233-R237 PolarHBondContact O-NE 2.93Å; Y234-R237 PolarHBondContact O-N 3.23Å; M235-R237 VanDerWaalsContact C-N 3.33Å; M235-R237 PolarHBondContact O-N 3.06Å; R237-K241 PolarHBondContact O-N 3.42Å
238	R	80.1	Confident	74.3	Confident	115 Å²	115	71.9 Å²	71.9	43%	0.434	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-39.3	175.9	-73.8	-177.1	68.3	-173.4	6.8	112.5	Y234 M235 K241 L242 L283	Y234-R238 VanDerWaalsContact CE1-CD 3.45Å; Y234-R238 HydrophobicContact CE1-CG 4.34Å; Y234-R238 PolarHBondContact O-N 3.18Å; M235-R238 PolarHBondContact O-N 2.89Å; R238-K241 PolarHBondContact O-N 3.09Å; R238-L242 PolarHBondContact O-N 2.96Å; R238-L242 VanDerWaalsContact O-N 3.12Å; R238-L283 HydrophobicContact CB-CD2 3.79Å
239	E	80.2	Confident	75.7	Confident	32 Å²	32	67.6 Å²	67.6	15%	0.15	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176.2	-177.9	-174.4	-177.2	0	0	111.9	M235 A236 K241 L242 F243 T280 L283 K287	M235-E239 PolarHBondContact O-N 3.12Å; M235-E239 VanDerWaalsContact O-N 3.1Å; A236-E239 PolarHBondContact O-N 2.93Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 PolarHBondContact O-N 3.18Å; E239-L242 PolarHBondContact O-N 3.02Å; E239-F243 WeakPolarHBondContact O-CB 3.42Å; E239-F243 PolarHBondContact O-N 3.47Å; E239-T280 HydrophobicContact CG-CG2 4.31Å; E239-L283 HydrophobicContact CB-CD2 4.28Å; E239-K287 IonicContact OE1-NZ 3.84Å; E239-K287 PolarHBondContact OE1-NZ 2.87Å; E239-K287 WeakPolarHBondContact OE2-CD 3.36Å; E239-K287 WeakPolarHBondContact OE2-CE 3.37Å; E239-K287 IonicContact OE2-NZ 3.98Å; E239-K287 PolarHBondContact OE2-NZ 3.18Å
240	Q	76.6	Confident	77.3	Confident	142 Å²	142	63.8 Å²	63.8	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-59.5	-41.6	176.4	-76.2	-179.6	-20.8	0	0	112.3	A236 F243 A244	A236-Q240 PolarHBondContact O-N 3.38Å; Q240-F243 PolarHBondContact O-N 3.41Å; Q240-A244 PolarHBondContact O-N 3.3Å
241	K	79.7	Confident	78.9	Confident	169 Å²	169	64.5 Å²	64.5	74%	0.735	33%	0.332	S	S	*	.	H	α-helix	trans	-63	-44.1	177.2	-73.6	-172	177.4	-166.6	0	112.8	R237 R238 E239 A244	R237-K241 PolarHBondContact O-N 3.42Å; R238-K241 PolarHBondContact O-N 3.09Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 PolarHBondContact O-N 3.18Å; K241-A244 WeakPolarHBondContact O-CB 3.4Å; K241-A244 PolarHBondContact O-N 3.14Å
242	L	81.1	Confident	80.4	Confident	42 Å²	42	63.9 Å²	63.9	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-37.3	176.9	-72.4	178.5	0	0	0	112.1	R238 E239 A244 S245 E279 L283	R238-L242 PolarHBondContact O-N 2.96Å; R238-L242 VanDerWaalsContact O-N 3.12Å; E239-L242 PolarHBondContact O-N 3.02Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.3Å; L242-S245 PolarHBondContact O-N 3.19Å; L242-S245 PolarHBondContact O-OG 2.92Å; L242-E279 HydrophobicContact CD1-CG 4.22Å; L242-L283 HydrophobicContact CD1-CB 4.19Å; L242-L283 HydrophobicContact CD1-CD2 3.61Å; L242-L283 HydrophobicContact CD1-CG 4.5Å
243	F	84.4	Confident	81.8	Confident	27 Å²	27	60.6 Å²	60.6	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-32.3	176.3	178.3	-108.9	0	0	0	112.4	E239 Q240 S245 A246 S247 L277 T280 R745 A775	E239-F243 WeakPolarHBondContact O-CB 3.42Å; E239-F243 PolarHBondContact O-N 3.47Å; Q240-F243 PolarHBondContact O-N 3.41Å; F243-S245 PolarHBondContact O-N 2.96Å; F243-A246 HydrophobicContact CD2-CB 4.39Å; F243-A246 PolarHBondContact O-N 3.38Å; F243-A246 VanDerWaalsContact O-N 3.12Å; F243-S247 PolarHBondContact O-N 3.26Å; F243-L277 HydrophobicContact CD2-CD2 4.04Å; F243-L277 HydrophobicContact CE2-CD2 4.07Å; F243-T280 HydrophobicContact CB-CG2 4.21Å; F243-R745 VanDerWaalsContact CZ-NH2 3.27Å; F243-A775 HydrophobicContact CE1-CB 3.66Å; F243-A775 HydrophobicContact CZ-CB 4.04Å
244	A	83.8	Confident	83.2	Confident	53 Å²	53	57.4 Å²	57.4	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-33.8	177.7	0	0	0	0	0	112.8	Q240 K241 L242 S247 A248	Q240-A244 PolarHBondContact O-N 3.3Å; K241-A244 WeakPolarHBondContact O-CB 3.4Å; K241-A244 PolarHBondContact O-N 3.14Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.3Å; A244-S247 PolarHBondContact O-N 3.36Å; A244-A248 PolarHBondContact O-N 3.36Å
245	S	83.1	Confident	84.1	Confident	48 Å²	48	54.1 Å²	54.1	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-69.7	-40.3	175.3	70	0	0	0	0	112.1	L242 F243 A248 V249	L242-S245 PolarHBondContact O-N 3.19Å; L242-S245 PolarHBondContact O-OG 2.92Å; F243-S245 PolarHBondContact O-N 2.96Å; S245-A248 PolarHBondContact O-N 3.03Å; S245-V249 PolarHBondContact O-N 2.98Å
246	A	87.1	Confident	84.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-40.4	173.2	0	0	0	0	0	111.5	F243 A248 V249 A250 Y273 A276 L277	F243-A246 HydrophobicContact CD2-CB 4.39Å; F243-A246 PolarHBondContact O-N 3.38Å; F243-A246 VanDerWaalsContact O-N 3.12Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å; A246-V249 WeakPolarHBondContact O-CB 3.31Å; A246-V249 PolarHBondContact O-N 3.19Å; A246-A250 PolarHBondContact O-N 3.3Å; A246-Y273 HydrophobicContact CB-CD2 4.3Å; A246-Y273 HydrophobicContact CB-CE2 4.04Å; A246-Y273 VanDerWaalsContact O-CD2 3.24Å; A246-Y273 WeakPolarHBondContact O-CD2 3.27Å; A246-Y273 WeakPolarHBondContact O-CE2 3.23Å; A246-A276 HydrophobicContact CB-CB 3.74Å; A246-L277 HydrophobicContact CB-CD2 3.7Å; A246-L277 HydrophobicContact CB-CG 4.15Å
247	S	87.8	Confident	86	Confident	24 Å²	24	51.9 Å²	51.9	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.5	-165.2	0	0	0	0	111.9	F243 A244 V249 A250 E251	F243-S247 PolarHBondContact O-N 3.26Å; A244-S247 PolarHBondContact O-N 3.36Å; S247-V249 VanDerWaalsContact C-N 3.3Å; S247-V249 PolarHBondContact O-N 2.7Å; S247-A250 PolarHBondContact O-N 2.97Å; S247-E251 WeakPolarHBondContact O-CB 3.42Å; S247-E251 PolarHBondContact O-N 3.24Å
248	A	87.9	Confident	86.9	Confident	30 Å²	30	49.8 Å²	49.8	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-38.1	177.2	0	0	0	0	0	112.4	A244 S245 A246 E251 E252	A244-A248 PolarHBondContact O-N 3.36Å; S245-A248 PolarHBondContact O-N 3.03Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.89Å; A248-E251 PolarHBondContact O-N 3.3Å; A248-E252 VanDerWaalsContact O-CB 3.31Å; A248-E252 WeakPolarHBondContact O-CB 3.4Å; A248-E252 PolarHBondContact O-N 2.74Å
249	V	89.6	Confident	87.5	Confident	19 Å²	19	44.9 Å²	44.9	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-44.1	174.5	167.8	0	0	0	0	111.6	S245 A246 S247 A253 R272 Y273	S245-V249 PolarHBondContact O-N 2.98Å; A246-V249 WeakPolarHBondContact O-CB 3.31Å; A246-V249 PolarHBondContact O-N 3.19Å; S247-V249 VanDerWaalsContact C-N 3.3Å; S247-V249 PolarHBondContact O-N 2.7Å; V249-A253 WeakPolarHBondContact O-CB 3.35Å; V249-A253 PolarHBondContact O-N 3.27Å; V249-A253 VanDerWaalsContact O-N 3.11Å; V249-R272 HydrophobicContact CG1-CB 4.14Å; V249-R272 HydrophobicContact CG1-CG 3.91Å; V249-R272 HydrophobicContact CG2-CG 4.17Å; V249-Y273 HydrophobicContact CG1-CD2 4.41Å
250	A	91	Very high	88.2	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-42.7	178	0	0	0	0	0	111.7	A246 S247 A253 I254 Y273 L749 L774	A246-A250 PolarHBondContact O-N 3.3Å; S247-A250 PolarHBondContact O-N 2.97Å; A250-A253 PolarHBondContact O-N 3.43Å; A250-I254 WeakPolarHBondContact O-CB 3.23Å; A250-I254 WeakPolarHBondContact O-CD1 3.35Å; A250-I254 VanDerWaalsContact O-CG1 3.22Å; A250-I254 WeakPolarHBondContact O-CG1 3.46Å; A250-I254 PolarHBondContact O-N 2.86Å; A250-Y273 HydrophobicContact CB-CD2 4.02Å; A250-Y273 HydrophobicContact CB-CE2 3.76Å; A250-L749 HydrophobicContact CB-CD1 4.32Å; A250-L774 HydrophobicContact CB-CD1 4.3Å
251	E	90.8	Very high	88.9	Confident	100 Å²	100	36.7 Å²	36.7	47%	0.467	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-47.3	178	-176.5	171.2	-168.8	0	0	112	S247 A248 A253 I254 S255 T767 C771	S247-E251 WeakPolarHBondContact O-CB 3.42Å; S247-E251 PolarHBondContact O-N 3.24Å; A248-E251 PolarHBondContact O-N 3.3Å; E251-A253 VanDerWaalsContact C-N 3.35Å; E251-A253 PolarHBondContact O-N 2.9Å; E251-I254 PolarHBondContact O-N 3.44Å; E251-S255 VanDerWaalsContact O-CB 3.31Å; E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.24Å; E251-S255 PolarHBondContact O-OG 3.29Å; E251-S255 VanDerWaalsContact O-OG 3.09Å; E251-T767 HydrophobicContact CG-CG2 4.27Å; E251-C771 VanDerWaalsContact CA-SG 3.51Å
252	E	90.6	Very high	89.4	Confident	34 Å²	34	28.7 Å²	28.7	16%	0.159	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-41.4	176.8	-176.3	179.7	-135.1	0	0	112.3	A248 S255 S256 R272 F1079 N1080	A248-E252 VanDerWaalsContact O-CB 3.31Å; A248-E252 WeakPolarHBondContact O-CB 3.4Å; A248-E252 PolarHBondContact O-N 2.74Å; E252-S255 PolarHBondContact O-OG 3.06Å; E252-S255 VanDerWaalsContact O-OG 3.09Å; E252-S256 WeakPolarHBondContact O-CB 3.32Å; E252-S256 PolarHBondContact O-N 3.17Å; E252-S256 PolarHBondContact O-OG 2.87Å; E252-R272 IonicContact OE2-CZ 3.46Å; E252-R272 IonicContact OE2-NH1 2.69Å; E252-R272 PolarHBondContact OE2-NH1 2.94Å; E252-R272 IonicContact OE2-NH2 3.97Å; E252-R272 PolarHBondContact OE2-NH2 3.2Å; E252-F1079 HydrophobicContact CG-CD1 3.74Å; E252-F1079 HydrophobicContact CG-CE1 4.28Å; E252-F1079 VanDerWaalsContact OE1-C 3.32Å; E252-F1079 WeakPolarHBondContact OE1-CA 3.29Å; E252-N1080 PolarHBondContact OE1-N 2.93Å
253	A	92	Very high	89.9	Confident	1 Å²	1	27 Å²	27	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-40.5	178.2	0	0	0	0	0	112.4	V249 A250 E251 S256 I257 V260 E269 L753	V249-A253 WeakPolarHBondContact O-CB 3.35Å; V249-A253 PolarHBondContact O-N 3.27Å; V249-A253 VanDerWaalsContact O-N 3.11Å; A250-A253 PolarHBondContact O-N 3.43Å; E251-A253 VanDerWaalsContact C-N 3.35Å; E251-A253 PolarHBondContact O-N 2.9Å; A253-S256 CarbonylContact O-C 2.94Å; A253-I257 PolarHBondContact O-N 2.72Å; A253-V260 WeakPolarHBondContact O-CG2 3.34Å; A253-E269 HydrophobicContact CB-CB 4.01Å; A253-E269 HydrophobicContact CB-CG 3.84Å; A253-L753 HydrophobicContact CB-CD2 4.39Å
254	I	92.9	Very high	90.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-75.7	-42.8	-178.8	-64.6	161	0	0	0	110.9	A250 E251 S256 I257 L749 F760 T767 I770 L774	A250-I254 WeakPolarHBondContact O-CB 3.23Å; A250-I254 WeakPolarHBondContact O-CD1 3.35Å; A250-I254 VanDerWaalsContact O-CG1 3.22Å; A250-I254 WeakPolarHBondContact O-CG1 3.46Å; A250-I254 PolarHBondContact O-N 2.86Å; E251-I254 PolarHBondContact O-N 3.44Å; I254-S256 PolarHBondContact O-N 2.96Å; I254-I257 WeakPolarHBondContact O-CB 3.47Å; I254-I257 PolarHBondContact O-N 3.15Å; I254-L749 HydrophobicContact CD1-CD1 4.19Å; I254-L749 HydrophobicContact CG1-CD1 4.35Å; I254-F760 HydrophobicContact CG2-CD1 4.04Å; I254-F760 HydrophobicContact CG2-CE1 3.82Å; I254-T767 HydrophobicContact CB-CG2 4.04Å; I254-T767 HydrophobicContact CG2-CG2 3.83Å; I254-I770 HydrophobicContact CD1-CB 4.34Å; I254-I770 HydrophobicContact CD1-CG2 3.6Å; I254-I770 HydrophobicContact CG2-CD1 4.27Å; I254-L774 HydrophobicContact CD1-CD1 4.16Å
255	S	90.4	Very high	90.5	Very high	70 Å²	70	23.6 Å²	23.6	49%	0.49	13%	0.13	S	C	.	.	H	α-helix	trans	-60.3	-32.4	176.1	66.4	0	0	0	0	111.9	E251 E252	E251-S255 VanDerWaalsContact O-CB 3.31Å; E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.24Å; E251-S255 PolarHBondContact O-OG 3.29Å; E251-S255 VanDerWaalsContact O-OG 3.09Å; E252-S255 PolarHBondContact O-OG 3.06Å; E252-S255 VanDerWaalsContact O-OG 3.09Å
256	S	91.5	Very high	91	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.063	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	23.9	-176.2	-45.5	0	0	0	0	112.6	E252 A253 I254 R258 T259 V260 V1077	E252-S256 WeakPolarHBondContact O-CB 3.32Å; E252-S256 PolarHBondContact O-N 3.17Å; E252-S256 PolarHBondContact O-OG 2.87Å; A253-S256 CarbonylContact O-C 2.94Å; I254-S256 PolarHBondContact O-N 2.96Å; S256-R258 PolarHBondContact O-N 3.28Å; S256-R258 VanDerWaalsContact O-N 3.12Å; S256-T259 WeakPolarHBondContact O-CA 3.33Å; S256-T259 WeakPolarHBondContact O-CB 3.42Å; S256-T259 PolarHBondContact O-N 2.91Å; S256-V260 PolarHBondContact O-N 2.97Å; S256-V1077 WeakPolarHBondContact OG-CG1 3.42Å
257	I	92.9	Very high	91.1	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-54.6	-37.9	-169.4	-171.7	62	0	0	0	113.3	A253 I254 T259 V260 L261 L753 F760	A253-I257 PolarHBondContact O-N 2.72Å; I254-I257 WeakPolarHBondContact O-CB 3.47Å; I254-I257 PolarHBondContact O-N 3.15Å; I257-T259 VanDerWaalsContact C-N 3.31Å; I257-T259 PolarHBondContact O-N 3.3Å; I257-V260 PolarHBondContact O-N 3.25Å; I257-L261 HydrophobicContact CD1-CD1 4.4Å; I257-L261 HydrophobicContact CD1-CD2 4.37Å; I257-L261 HydrophobicContact CD1-CG 4.03Å; I257-L261 HydrophobicContact CG1-CD1 4.01Å; I257-L261 HydrophobicContact CG1-CG 4.08Å; I257-L261 WeakPolarHBondContact O-CB 3.25Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.41Å; I257-L261 PolarHBondContact O-N 3.16Å; I257-L753 HydrophobicContact CD1-CD2 3.62Å; I257-F760 HydrophobicContact CD1-CE2 4.22Å; I257-F760 HydrophobicContact CD1-CZ 4.24Å; I257-F760 HydrophobicContact CG1-CD2 4.03Å; I257-F760 HydrophobicContact CG1-CE2 3.68Å; I257-F760 HydrophobicContact CG1-CZ 4.04Å; I257-F760 HydrophobicContact CG2-CB 4.49Å; I257-F760 HydrophobicContact CG2-CD2 4.13Å; I257-F760 HydrophobicContact CG2-CG 4.19Å
258	R	91.8	Very high	91.2	Very high	117 Å²	117	28.9 Å²	28.9	44%	0.442	15%	0.147	S	C	.	.	H	α-helix	trans	-59.4	-42.3	176.3	-65.7	-176.9	-176.3	179.4	1	111.5	S256 A262 V757 D761 F1042 Y1043	S256-R258 PolarHBondContact O-N 3.28Å; S256-R258 VanDerWaalsContact O-N 3.12Å; R258-A262 VanDerWaalsContact O-CB 3.23Å; R258-A262 WeakPolarHBondContact O-CB 3.5Å; R258-A262 PolarHBondContact O-N 3.14Å; R258-V757 HydrophobicContact CG-CG1 3.92Å; R258-V757 HydrophobicContact CG-CG2 4.21Å; R258-D761 IonicContact NH2-OD1 2.92Å; R258-D761 PolarHBondContact NH2-OD1 3.25Å; R258-F1042 HydrophobicContact CB-CE2 4.28Å; R258-F1042 HydrophobicContact CB-CZ 4.31Å; R258-F1042 WeakPolarHBondContact O-CZ 3.37Å; R258-Y1043 PolarHBondContact NH2-OH 3.33Å
259	T	92.8	Very high	91.4	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-45.8	174.5	-53.3	0	0	0	0	110.7	S256 I257 L261 A262 F263 F1079	S256-T259 WeakPolarHBondContact O-CA 3.33Å; S256-T259 WeakPolarHBondContact O-CB 3.42Å; S256-T259 PolarHBondContact O-N 2.91Å; I257-T259 VanDerWaalsContact C-N 3.31Å; I257-T259 PolarHBondContact O-N 3.3Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.44Å; T259-A262 PolarHBondContact O-N 3.35Å; T259-F263 HydrophobicContact CG2-CD2 3.75Å; T259-F263 HydrophobicContact CG2-CE2 4Å; T259-F263 WeakPolarHBondContact O-CB 3.43Å; T259-F263 VanDerWaalsContact O-CD2 3.26Å; T259-F263 WeakPolarHBondContact O-CD2 3.24Å; T259-F263 PolarHBondContact O-N 3.42Å; T259-F1079 HydrophobicContact CG2-CE2 4.04Å; T259-F1079 HydrophobicContact CG2-CZ 4.16Å
260	V	93.6	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-45.2	178.4	-178.6	0	0	0	0	110.8	A253 S256 I257 N264 G265 Q266 E269 F1079	A253-V260 WeakPolarHBondContact O-CG2 3.34Å; S256-V260 PolarHBondContact O-N 2.97Å; I257-V260 PolarHBondContact O-N 3.25Å; V260-N264 PolarHBondContact O-N 2.99Å; V260-G265 PolarHBondContact O-N 3.29Å; V260-Q266 HydrophobicContact CG1-CG 4.27Å; V260-E269 HydrophobicContact CG1-CG 4.12Å; V260-E269 HydrophobicContact CG2-CG 4.3Å; V260-F1079 HydrophobicContact CG2-CE1 4.15Å; V260-F1079 HydrophobicContact CG2-CZ 3.96Å
261	L	92.1	Very high	91.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-46.3	179.3	-68	-179	0	0	0	112.6	I257 T259 F263 N264 Q266 V757 F1042 R1066	I257-L261 HydrophobicContact CD1-CD1 4.4Å; I257-L261 HydrophobicContact CD1-CD2 4.37Å; I257-L261 HydrophobicContact CD1-CG 4.03Å; I257-L261 HydrophobicContact CG1-CD1 4.01Å; I257-L261 HydrophobicContact CG1-CG 4.08Å; I257-L261 WeakPolarHBondContact O-CB 3.25Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.41Å; I257-L261 PolarHBondContact O-N 3.16Å; T259-L261 VanDerWaalsContact C-N 3.31Å; T259-L261 PolarHBondContact O-N 3.44Å; L261-F263 PolarHBondContact O-N 2.63Å; L261-N264 PolarHBondContact O-N 3.49Å; L261-Q266 HydrophobicContact CD2-CG 4.02Å; L261-V757 HydrophobicContact CD1-CG2 3.72Å; L261-F1042 HydrophobicContact CB-CE1 3.93Å; L261-R1066 WeakPolarHBondContact O-CD 3.31Å
262	A	91.2	Very high	91.6	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-37.8	178.6	0	0	0	0	0	112	R258 T259 F1042 L1071	R258-A262 VanDerWaalsContact O-CB 3.23Å; R258-A262 WeakPolarHBondContact O-CB 3.5Å; R258-A262 PolarHBondContact O-N 3.14Å; T259-A262 PolarHBondContact O-N 3.35Å; A262-F1042 HydrophobicContact CB-CZ 4.08Å; A262-L1071 HydrophobicContact CB-CD2 3.77Å
263	F	91.7	Very high	91.7	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	8.2	-176.6	-70.4	-87.9	0	0	0	113.1	T259 L261 G265 L1071 Y1089 G1090 R1143 R1147	T259-F263 HydrophobicContact CG2-CD2 3.75Å; T259-F263 HydrophobicContact CG2-CE2 4Å; T259-F263 WeakPolarHBondContact O-CB 3.43Å; T259-F263 VanDerWaalsContact O-CD2 3.26Å; T259-F263 WeakPolarHBondContact O-CD2 3.24Å; T259-F263 PolarHBondContact O-N 3.42Å; L261-F263 PolarHBondContact O-N 2.63Å; F263-G265 PolarHBondContact O-N 3.02Å; F263-L1071 VanDerWaalsContact CZ-O 3.25Å; F263-L1071 WeakPolarHBondContact CZ-O 3.49Å; F263-Y1089 HydrophobicContact CB-CD1 3.75Å; F263-Y1089 HydrophobicContact CB-CE1 4.07Å; F263-Y1089 HydrophobicContact CG-CD1 4.32Å; F263-G1090 VanDerWaalsContact O-CA 3.31Å; F263-G1090 WeakPolarHBondContact O-CA 3.09Å; F263-R1143 HydrophobicContact CD1-CG 3.95Å; F263-R1143 HydrophobicContact CE1-CB 4.48Å; F263-R1143 VanDerWaalsContact CE1-CD 3.46Å; F263-R1143 HydrophobicContact CE1-CG 3.58Å; F263-R1143 HydrophobicContact CZ-CG 4.12Å; F263-R1147 PolarHBondContact O-NH2 3.21Å
264	N	90.1	Very high	91.8	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.043	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.2	-175.2	-63.6	-32.4	0	0	0	113.7	V260 L261 Q266 H1063	V260-N264 PolarHBondContact O-N 2.99Å; L261-N264 PolarHBondContact O-N 3.49Å; N264-Q266 VanDerWaalsContact C-N 3.32Å; N264-Q266 PolarHBondContact O-N 3.27Å; N264-H1063 VanDerWaalsContact CG-CD2 3.43Å; N264-H1063 PolarHBondContact ND2-O 2.87Å
265	G	90.8	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.			trans	-81	-1.5	-176	0	0	0	0	0	115.2	V260 F263 K267 N268 E269	V260-G265 PolarHBondContact O-N 3.29Å; F263-G265 PolarHBondContact O-N 3.02Å; G265-K267 PolarHBondContact O-N 2.98Å; G265-N268 WeakPolarHBondContact O-CB 3.42Å; G265-N268 PolarHBondContact O-N 3.22Å; G265-E269 PolarHBondContact O-N 3.42Å
266	Q	92	Very high	91.5	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-48.9	-169.6	-57.5	90.2	-30.6	0	0	112.1	V260 L261 N264 N268 E269 I270 L753	V260-Q266 HydrophobicContact CG1-CG 4.27Å; L261-Q266 HydrophobicContact CD2-CG 4.02Å; N264-Q266 VanDerWaalsContact C-N 3.32Å; N264-Q266 PolarHBondContact O-N 3.27Å; Q266-N268 VanDerWaalsContact C-N 3.29Å; Q266-N268 PolarHBondContact O-N 3.15Å; Q266-E269 PolarHBondContact O-N 3.31Å; Q266-I270 WeakPolarHBondContact O-CD1 3.15Å; Q266-I270 VanDerWaalsContact O-CG1 3.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.32Å; Q266-I270 PolarHBondContact O-N 2.93Å; Q266-L753 HydrophobicContact CB-CB 4.26Å; Q266-L753 HydrophobicContact CG-CB 4.22Å; Q266-L753 WeakPolarHBondContact CG-O 3.39Å
267	K	90.2	Very high	91.5	Very high	117 Å²	117	39.3 Å²	39.3	51%	0.509	18%	0.18	S	C	.	.	H	α-helix	trans	-62.7	-36.2	179	-67.8	-177.9	-169.5	163.3	0	112.3	G265 N271 E1092	G265-K267 PolarHBondContact O-N 2.98Å; K267-N271 WeakPolarHBondContact O-CB 3.4Å; K267-N271 VanDerWaalsContact O-CG 3.3Å; K267-N271 PolarHBondContact O-N 3.15Å; K267-N271 PolarHBondContact O-ND2 3.33Å; K267-E1092 IonicContact NZ-OE1 3.84Å; K267-E1092 PolarHBondContact NZ-OE1 3.39Å
268	N	89.3	Confident	91.4	Very high	58 Å²	58	41 Å²	41	31%	0.31	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-44.6	179.5	-68.5	13.5	0	0	0	110.2	G265 Q266 N271 R272	G265-N268 WeakPolarHBondContact O-CB 3.42Å; G265-N268 PolarHBondContact O-N 3.22Å; Q266-N268 VanDerWaalsContact C-N 3.29Å; Q266-N268 PolarHBondContact O-N 3.15Å; N268-N271 PolarHBondContact O-N 3.26Å; N268-R272 WeakPolarHBondContact O-CB 3.48Å; N268-R272 PolarHBondContact O-N 3.24Å
269	E	92.1	Very high	91.1	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-41.8	177.2	-63.9	-50.2	142.8	0	0	112.7	A253 V260 G265 Q266 N271 R272 Y273 L753 Y1089	A253-E269 HydrophobicContact CB-CB 4.01Å; A253-E269 HydrophobicContact CB-CG 3.84Å; V260-E269 HydrophobicContact CG1-CG 4.12Å; V260-E269 HydrophobicContact CG2-CG 4.3Å; G265-E269 PolarHBondContact O-N 3.42Å; Q266-E269 PolarHBondContact O-N 3.31Å; E269-N271 VanDerWaalsContact C-N 3.3Å; E269-N271 PolarHBondContact O-N 3.45Å; E269-R272 PolarHBondContact O-N 3.27Å; E269-R272 IonicContact OE1-NE 2.78Å; E269-R272 IonicContact OE1-NH2 3.48Å; E269-R272 IonicContact OE2-CZ 3.7Å; E269-R272 IonicContact OE2-NE 2.77Å; E269-R272 PolarHBondContact OE2-NE 3.4Å; E269-R272 IonicContact OE2-NH2 3.77Å; E269-R272 PolarHBondContact OE2-NH2 2.74Å; E269-Y273 VanDerWaalsContact O-CB 3.31Å; E269-Y273 WeakPolarHBondContact O-CB 3.12Å; E269-Y273 PolarHBondContact O-N 3.07Å; E269-L753 HydrophobicContact CB-CD1 4Å; E269-Y1089 WeakPolarHBondContact CG-OH 3.39Å; E269-Y1089 VanDerWaalsContact OE1-CE2 3.24Å; E269-Y1089 WeakPolarHBondContact OE1-CE2 3.24Å; E269-Y1089 PolarHBondContact OE1-OH 2.98Å
270	I	93	Very high	90.8	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.128	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-44.1	174.7	-66.3	163.7	0	0	0	110.4	Q266 Y273 K274 V746 E750 L753	Q266-I270 WeakPolarHBondContact O-CD1 3.15Å; Q266-I270 VanDerWaalsContact O-CG1 3.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.32Å; Q266-I270 PolarHBondContact O-N 2.93Å; I270-Y273 PolarHBondContact O-N 3.27Å; I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.24Å; I270-V746 HydrophobicContact CG2-CG1 4.36Å; I270-E750 HydrophobicContact CD1-CB 4.03Å; I270-E750 HydrophobicContact CD1-CG 3.98Å; I270-L753 HydrophobicContact CD1-CD1 4.38Å; I270-L753 HydrophobicContact CG1-CD1 3.75Å
271	N	92	Very high	90.6	Very high	96 Å²	96	43.4 Å²	43.4	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-68	-40.6	178.6	-77	-31.4	0	0	0	112.4	K267 N268 E269 K274 K275	K267-N271 WeakPolarHBondContact O-CB 3.4Å; K267-N271 VanDerWaalsContact O-CG 3.3Å; K267-N271 PolarHBondContact O-N 3.15Å; K267-N271 PolarHBondContact O-ND2 3.33Å; N268-N271 PolarHBondContact O-N 3.26Å; E269-N271 VanDerWaalsContact C-N 3.3Å; E269-N271 PolarHBondContact O-N 3.45Å; N271-K274 PolarHBondContact O-N 3.18Å; N271-K275 WeakPolarHBondContact O-CB 3.29Å; N271-K275 PolarHBondContact O-N 3.43Å
272	R	90.5	Very high	90.4	Very high	53 Å²	53	50.9 Å²	50.9	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-46.9	175.5	-169.3	169.3	68.1	140	7.9	110.5	V249 E252 N268 E269 K275 A276	V249-R272 HydrophobicContact CG1-CB 4.14Å; V249-R272 HydrophobicContact CG1-CG 3.91Å; V249-R272 HydrophobicContact CG2-CG 4.17Å; E252-R272 IonicContact OE2-CZ 3.46Å; E252-R272 IonicContact OE2-NH1 2.69Å; E252-R272 PolarHBondContact OE2-NH1 2.94Å; E252-R272 IonicContact OE2-NH2 3.97Å; E252-R272 PolarHBondContact OE2-NH2 3.2Å; N268-R272 WeakPolarHBondContact O-CB 3.48Å; N268-R272 PolarHBondContact O-N 3.24Å; E269-R272 PolarHBondContact O-N 3.27Å; E269-R272 IonicContact OE1-NE 2.78Å; E269-R272 IonicContact OE1-NH2 3.48Å; E269-R272 IonicContact OE2-CZ 3.7Å; E269-R272 IonicContact OE2-NE 2.77Å; E269-R272 PolarHBondContact OE2-NE 3.4Å; E269-R272 IonicContact OE2-NH2 3.77Å; E269-R272 PolarHBondContact OE2-NH2 2.74Å; R272-K275 PolarHBondContact O-N 3.31Å; R272-A276 PolarHBondContact O-N 2.93Å; R272-A276 VanDerWaalsContact O-N 3.09Å
273	Y	92.7	Very high	90.2	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-46.7	177	-174.3	-115.6	0	0	0	112.5	A246 V249 A250 E269 I270 K275 A276 L277 R745 L749	A246-Y273 HydrophobicContact CB-CD2 4.3Å; A246-Y273 HydrophobicContact CB-CE2 4.04Å; A246-Y273 VanDerWaalsContact O-CD2 3.24Å; A246-Y273 WeakPolarHBondContact O-CD2 3.27Å; A246-Y273 WeakPolarHBondContact O-CE2 3.23Å; V249-Y273 HydrophobicContact CG1-CD2 4.41Å; A250-Y273 HydrophobicContact CB-CD2 4.02Å; A250-Y273 HydrophobicContact CB-CE2 3.76Å; E269-Y273 VanDerWaalsContact O-CB 3.31Å; E269-Y273 WeakPolarHBondContact O-CB 3.12Å; E269-Y273 PolarHBondContact O-N 3.07Å; I270-Y273 PolarHBondContact O-N 3.27Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 3.49Å; Y273-A276 PolarHBondContact O-N 3.47Å; Y273-L277 HydrophobicContact CD1-CD1 3.74Å; Y273-L277 HydrophobicContact CD1-CG 4.34Å; Y273-L277 HydrophobicContact CE1-CD1 3.28Å; Y273-L277 HydrophobicContact CE1-CG 4.08Å; Y273-L277 HydrophobicContact CE2-CD1 4.29Å; Y273-L277 HydrophobicContact CE2-CD2 4.44Å; Y273-L277 HydrophobicContact CE2-CG 4.25Å; Y273-L277 HydrophobicContact CG-CD1 4.44Å; Y273-L277 WeakPolarHBondContact O-CG 3.36Å; Y273-L277 PolarHBondContact O-N 3.2Å; Y273-R745 HydrophobicContact CE1-CB 4.03Å; Y273-L749 HydrophobicContact CD1-CB 4.26Å; Y273-L749 HydrophobicContact CD1-CD2 3.26Å; Y273-L749 HydrophobicContact CD1-CG 4.38Å; Y273-L749 HydrophobicContact CD2-CD2 4.1Å; Y273-L749 HydrophobicContact CE1-CB 4.23Å; Y273-L749 HydrophobicContact CE1-CD2 3.85Å; Y273-L749 HydrophobicContact CG-CD2 3.38Å
274	K	93.6	Very high	89.9	Confident	111 Å²	111	51.1 Å²	51.1	48%	0.483	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-40.9	177.3	-175.7	178.4	179.3	-178.7	0	111.9	I270 N271 L277 E278 V746	I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.24Å; N271-K274 PolarHBondContact O-N 3.18Å; K274-L277 PolarHBondContact O-N 3.01Å; K274-E278 PolarHBondContact O-N 3.33Å; K274-V746 HydrophobicContact CB-CG2 4.36Å; K274-V746 HydrophobicContact CG-CG2 4.34Å
275	K	90.9	Very high	89.8	Confident	173 Å²	173	52.8 Å²	52.8	75%	0.752	24%	0.237	S	C	*	.	H	α-helix	trans	-64.6	-43	176.3	-171.2	178.3	178.3	-175.7	0	111.6	N271 R272 Y273 L277 E278	N271-K275 WeakPolarHBondContact O-CB 3.29Å; N271-K275 PolarHBondContact O-N 3.43Å; R272-K275 PolarHBondContact O-N 3.31Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 3.49Å; K275-L277 VanDerWaalsContact C-N 3.35Å; K275-E278 PolarHBondContact O-N 2.92Å
276	A	87.5	Confident	89.6	Confident	19 Å²	19	61.5 Å²	61.5	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-36.9	176.2	0	0	0	0	0	112.5	A246 R272 Y273 T280	A246-A276 HydrophobicContact CB-CB 3.74Å; R272-A276 PolarHBondContact O-N 2.93Å; R272-A276 VanDerWaalsContact O-N 3.09Å; Y273-A276 PolarHBondContact O-N 3.47Å; A276-T280 PolarHBondContact O-OG1 2.83Å
277	L	90.7	Very high	89.2	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-27.4	176.6	-72.3	-177.5	0	0	0	113.8	F243 A246 Y273 K274 K275 E279 T280 R281 L742 R745 V746	F243-L277 HydrophobicContact CD2-CD2 4.04Å; F243-L277 HydrophobicContact CE2-CD2 4.07Å; A246-L277 HydrophobicContact CB-CD2 3.7Å; A246-L277 HydrophobicContact CB-CG 4.15Å; Y273-L277 HydrophobicContact CD1-CD1 3.74Å; Y273-L277 HydrophobicContact CD1-CG 4.34Å; Y273-L277 HydrophobicContact CE1-CD1 3.28Å; Y273-L277 HydrophobicContact CE1-CG 4.08Å; Y273-L277 HydrophobicContact CE2-CD1 4.29Å; Y273-L277 HydrophobicContact CE2-CD2 4.44Å; Y273-L277 HydrophobicContact CE2-CG 4.25Å; Y273-L277 HydrophobicContact CG-CD1 4.44Å; Y273-L277 WeakPolarHBondContact O-CG 3.36Å; Y273-L277 PolarHBondContact O-N 3.2Å; K274-L277 PolarHBondContact O-N 3.01Å; K275-L277 VanDerWaalsContact C-N 3.35Å; L277-E279 VanDerWaalsContact C-N 3.3Å; L277-E279 PolarHBondContact O-N 3.41Å; L277-T280 WeakPolarHBondContact O-CB 3.4Å; L277-T280 PolarHBondContact O-N 2.85Å; L277-R281 WeakPolarHBondContact O-CB 3.4Å; L277-R281 PolarHBondContact O-N 3.44Å; L277-L742 HydrophobicContact CB-CD1 3.37Å; L277-L742 HydrophobicContact CD1-CD1 3.84Å; L277-L742 HydrophobicContact CG-CD1 4.27Å; L277-R745 HydrophobicContact CD1-CB 3.77Å; L277-V746 HydrophobicContact CD1-CG2 4.28Å
278	E	90.6	Very high	88.8	Confident	47 Å²	47	56.9 Å²	56.9	22%	0.22	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-38.7	-179.5	-177.8	58.8	-159.9	0	0	112	K274 K275 R281 R282	K274-E278 PolarHBondContact O-N 3.33Å; K275-E278 PolarHBondContact O-N 2.92Å; E278-R281 PolarHBondContact O-N 2.89Å; E278-R281 IonicContact OE1-CZ 2.84Å; E278-R281 IonicContact OE1-NE 2.76Å; E278-R281 IonicContact OE1-NH2 3.54Å; E278-R281 PolarHBondContact OE1-NH2 2.81Å; E278-R281 IonicContact OE2-CZ 2.71Å; E278-R281 VanDerWaalsContact OE2-CZ 3.23Å; E278-R281 IonicContact OE2-NE 3.35Å; E278-R281 PolarHBondContact OE2-NE 2.9Å; E278-R281 IonicContact OE2-NH2 3.63Å; E278-R281 PolarHBondContact OE2-NH2 3.44Å; E278-R282 WeakPolarHBondContact O-CG 3.26Å; E278-R282 PolarHBondContact O-N 2.87Å; E278-R282 IonicContact OE1-NE 2.9Å; E278-R282 PolarHBondContact OE1-NE 3.24Å; E278-R282 IonicContact OE1-NH2 2.69Å
279	E	85.2	Confident	88.5	Confident	118 Å²	118	57.7 Å²	57.7	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-66.4	-43.1	174.6	-164.6	178.7	174.4	0	0	111.3	L242 L277 R281 R282 L283	L242-E279 HydrophobicContact CD1-CG 4.22Å; L277-E279 VanDerWaalsContact C-N 3.3Å; L277-E279 PolarHBondContact O-N 3.41Å; E279-R281 VanDerWaalsContact C-N 3.32Å; E279-R281 PolarHBondContact O-N 3.31Å; E279-R282 PolarHBondContact O-N 3.31Å; E279-L283 PolarHBondContact O-N 3.24Å; E279-L283 VanDerWaalsContact O-N 3.08Å
280	T	86.2	Confident	88	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-44.1	174.7	-56.4	0	0	0	0	110.9	E239 F243 A276 L277 L283 G284	E239-T280 HydrophobicContact CG-CG2 4.31Å; F243-T280 HydrophobicContact CB-CG2 4.21Å; A276-T280 PolarHBondContact O-OG1 2.83Å; L277-T280 WeakPolarHBondContact O-CB 3.4Å; L277-T280 PolarHBondContact O-N 2.85Å; T280-L283 PolarHBondContact O-N 3.27Å; T280-G284 PolarHBondContact O-N 3.31Å
281	R	89.5	Confident	87.2	Confident	56 Å²	56	60.8 Å²	60.8	21%	0.211	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177.8	-178.5	175.7	71.1	135.6	3.2	112.4	L277 E278 E279 L283 G284 Y285 D739	L277-R281 WeakPolarHBondContact O-CB 3.4Å; L277-R281 PolarHBondContact O-N 3.44Å; E278-R281 PolarHBondContact O-N 2.89Å; E278-R281 IonicContact OE1-CZ 2.84Å; E278-R281 IonicContact OE1-NE 2.76Å; E278-R281 IonicContact OE1-NH2 3.54Å; E278-R281 PolarHBondContact OE1-NH2 2.81Å; E278-R281 IonicContact OE2-CZ 2.71Å; E278-R281 VanDerWaalsContact OE2-CZ 3.23Å; E278-R281 IonicContact OE2-NE 3.35Å; E278-R281 PolarHBondContact OE2-NE 2.9Å; E278-R281 IonicContact OE2-NH2 3.63Å; E278-R281 PolarHBondContact OE2-NH2 3.44Å; E279-R281 VanDerWaalsContact C-N 3.32Å; E279-R281 PolarHBondContact O-N 3.31Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 3.32Å; R281-G284 CarbonylContact O-C 3.43Å; R281-G284 WeakPolarHBondContact O-CA 3.36Å; R281-G284 PolarHBondContact O-N 3.33Å; R281-G284 VanDerWaalsContact O-N 3.1Å; R281-Y285 WeakPolarHBondContact CD-OH 3.41Å; R281-Y285 HydrophobicContact CG-CE1 3.91Å; R281-Y285 HydrophobicContact CG-CE2 4Å; R281-Y285 PolarHBondContact NH1-OH 2.92Å; R281-Y285 VanDerWaalsContact NH1-OH 3.16Å; R281-Y285 PolarHBondContact O-N 3.45Å; R281-D739 WeakPolarHBondContact CD-OD1 3.26Å; R281-D739 IonicContact CZ-OD1 3.14Å; R281-D739 IonicContact NH1-OD1 3.96Å; R281-D739 PolarHBondContact NH1-OD1 3.01Å
282	R	89	Confident	86.5	Confident	157 Å²	157	56.2 Å²	56.2	59%	0.592	25%	0.248	S	C	*	.	H	α-helix	trans	-61.9	-40.1	178.6	-72.2	174.9	-175.3	-167.2	-1	111.7	E278 E279 Y285 R286	E278-R282 WeakPolarHBondContact O-CG 3.26Å; E278-R282 PolarHBondContact O-N 2.87Å; E278-R282 IonicContact OE1-NE 2.9Å; E278-R282 PolarHBondContact OE1-NE 3.24Å; E278-R282 IonicContact OE1-NH2 2.69Å; E279-R282 PolarHBondContact O-N 3.31Å; R282-Y285 PolarHBondContact O-N 3.25Å; R282-R286 PolarHBondContact O-N 3.11Å
283	L	87.2	Confident	86	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-40.7	172.9	-173.5	66.1	0	0	0	111.3	M235 R238 E239 L242 E279 T280 R281 Y285 R286 K287	M235-L283 HydrophobicContact CE-CD1 3.72Å; R238-L283 HydrophobicContact CB-CD2 3.79Å; E239-L283 HydrophobicContact CB-CD2 4.28Å; L242-L283 HydrophobicContact CD1-CB 4.19Å; L242-L283 HydrophobicContact CD1-CD2 3.61Å; L242-L283 HydrophobicContact CD1-CG 4.5Å; E279-L283 PolarHBondContact O-N 3.24Å; E279-L283 VanDerWaalsContact O-N 3.08Å; T280-L283 PolarHBondContact O-N 3.27Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 3.32Å; L283-Y285 VanDerWaalsContact C-N 3.31Å; L283-Y285 PolarHBondContact O-N 3.11Å; L283-R286 PolarHBondContact O-N 3.22Å; L283-K287 WeakPolarHBondContact O-CB 3.15Å; L283-K287 PolarHBondContact O-N 3.4Å
284	G	85.6	Confident	85.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.3	-41.8	173.6	0	0	0	0	0	113	T280 R281 K287 N288	T280-G284 PolarHBondContact O-N 3.31Å; R281-G284 CarbonylContact O-C 3.43Å; R281-G284 WeakPolarHBondContact O-CA 3.36Å; R281-G284 PolarHBondContact O-N 3.33Å; R281-G284 VanDerWaalsContact O-N 3.1Å; G284-K287 WeakPolarHBondContact O-CB 3.34Å; G284-K287 PolarHBondContact O-N 3.39Å; G284-N288 PolarHBondContact O-N 3.09Å; G284-N288 PolarHBondContact O-ND2 3.21Å
285	Y	87.8	Confident	84.3	Confident	44 Å²	44	59.9 Å²	59.9	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-47.8	173.9	-64.3	-20.7	0	0	0	113	R281 R282 L283 K287 N288 L289 K735 E738 D739	R281-Y285 WeakPolarHBondContact CD-OH 3.41Å; R281-Y285 HydrophobicContact CG-CE1 3.91Å; R281-Y285 HydrophobicContact CG-CE2 4Å; R281-Y285 PolarHBondContact NH1-OH 2.92Å; R281-Y285 VanDerWaalsContact NH1-OH 3.16Å; R281-Y285 PolarHBondContact O-N 3.45Å; R282-Y285 PolarHBondContact O-N 3.25Å; L283-Y285 VanDerWaalsContact C-N 3.31Å; L283-Y285 PolarHBondContact O-N 3.11Å; Y285-K287 VanDerWaalsContact C-N 3.3Å; Y285-K287 PolarHBondContact O-N 3.43Å; Y285-N288 PolarHBondContact O-N 3.3Å; Y285-L289 WeakPolarHBondContact O-CB 3.49Å; Y285-L289 PolarHBondContact O-N 3.46Å; Y285-K735 HydrophobicContact CD1-CB 4.45Å; Y285-K735 HydrophobicContact CD1-CG 4.21Å; Y285-K735 HydrophobicContact CE1-CB 4.3Å; Y285-K735 HydrophobicContact CE1-CG 3.74Å; Y285-E738 HydrophobicContact CD1-CB 4.1Å; Y285-E738 HydrophobicContact CD1-CG 4.36Å; Y285-E738 HydrophobicContact CE1-CB 3.82Å; Y285-D739 PolarHBondContact OH-OD1 2.91Å; Y285-D739 PolarHBondContact OH-OD2 2.91Å
286	R	86.3	Confident	83.6	Confident	182 Å²	182	53 Å²	53	69%	0.687	25%	0.245	S	C	*	.	H	α-helix	trans	-61.7	-41.3	177.5	-70.8	-177.8	176.5	178	-1.3	111	M235 R282 L283 L289 V290	M235-R286 HydrophobicContact CE-CB 4.22Å; R282-R286 PolarHBondContact O-N 3.11Å; L283-R286 PolarHBondContact O-N 3.22Å; R286-L289 PolarHBondContact O-N 2.87Å; R286-V290 VanDerWaalsContact O-CG2 3.31Å; R286-V290 WeakPolarHBondContact O-CG2 3.4Å; R286-V290 PolarHBondContact O-N 3.11Å
287	K	83.6	Confident	83.1	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.065	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-52.1	173.6	174.6	-161.4	69.1	-174.7	0	110.9	M235 E239 L283 G284 Y285 L289 V290 I291 E738	M235-K287 HydrophobicContact CB-CB 4.41Å; M235-K287 HydrophobicContact CB-CG 4.23Å; M235-K287 HydrophobicContact CE-CB 4.27Å; E239-K287 IonicContact OE1-NZ 3.84Å; E239-K287 PolarHBondContact OE1-NZ 2.87Å; E239-K287 WeakPolarHBondContact OE2-CD 3.36Å; E239-K287 WeakPolarHBondContact OE2-CE 3.37Å; E239-K287 IonicContact OE2-NZ 3.98Å; E239-K287 PolarHBondContact OE2-NZ 3.18Å; L283-K287 WeakPolarHBondContact O-CB 3.15Å; L283-K287 PolarHBondContact O-N 3.4Å; G284-K287 WeakPolarHBondContact O-CB 3.34Å; G284-K287 PolarHBondContact O-N 3.39Å; Y285-K287 VanDerWaalsContact C-N 3.3Å; Y285-K287 PolarHBondContact O-N 3.43Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 3.18Å; K287-V290 PolarHBondContact O-N 3.43Å; K287-I291 HydrophobicContact CD-CD1 4.34Å; K287-I291 HydrophobicContact CG-CD1 3.83Å; K287-I291 HydrophobicContact CG-CG1 4.5Å; K287-I291 VanDerWaalsContact O-CG1 3.28Å; K287-I291 WeakPolarHBondContact O-CG1 3.37Å; K287-I291 PolarHBondContact O-N 2.92Å; K287-E738 IonicContact NZ-OE1 2.77Å; K287-E738 PolarHBondContact NZ-OE1 3.44Å
288	N	81	Confident	82.4	Confident	13 Å²	13	57.4 Å²	57.4	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-30.6	-179.2	-71.5	-45.1	0	0	0	112.8	G284 Y285 G292 G734 E738	G284-N288 PolarHBondContact O-N 3.09Å; G284-N288 PolarHBondContact O-ND2 3.21Å; Y285-N288 PolarHBondContact O-N 3.3Å; N288-G292 PolarHBondContact O-N 2.92Å; N288-G734 WeakPolarHBondContact ND2-CA 3.49Å; N288-G734 PolarHBondContact ND2-O 3.26Å; N288-E738 VanDerWaalsContact ND2-CG 3.34Å; N288-E738 WeakPolarHBondContact ND2-CG 3.47Å; N288-E738 PolarHBondContact ND2-OE1 3.34Å
289	L	83.3	Confident	81.6	Confident	75 Å²	75	58.6 Å²	58.6	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-67.4	-46	171.7	-168.7	151.7	0	0	0	111.3	Y285 R286 K287 I291 G292 F293 F731	Y285-L289 WeakPolarHBondContact O-CB 3.49Å; Y285-L289 PolarHBondContact O-N 3.46Å; R286-L289 PolarHBondContact O-N 2.87Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 3.18Å; L289-I291 VanDerWaalsContact C-N 3.32Å; L289-I291 PolarHBondContact O-N 2.99Å; L289-G292 PolarHBondContact O-N 2.85Å; L289-F293 HydrophobicContact CD2-CD2 3.45Å; L289-F293 VanDerWaalsContact CD2-CD2 3.45Å; L289-F293 HydrophobicContact CD2-CE2 3.65Å; L289-F293 HydrophobicContact CG-CD2 4.04Å; L289-F293 HydrophobicContact CG-CE2 4.14Å; L289-F293 WeakPolarHBondContact O-CD2 3.43Å; L289-F293 PolarHBondContact O-N 3.44Å; L289-F731 HydrophobicContact CB-CD2 3.96Å; L289-F731 HydrophobicContact CB-CE2 4.2Å; L289-F731 HydrophobicContact CD1-CD2 4.3Å; L289-F731 HydrophobicContact CD1-CE2 4.03Å; L289-F731 HydrophobicContact CG-CD2 4.33Å
290	V	81.2	Confident	81.3	Confident	57 Å²	57	55.1 Å²	55.1	35%	0.345	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-41	174.6	171.8	0	0	0	0	111.1	R286 K287 G294	R286-V290 VanDerWaalsContact O-CG2 3.31Å; R286-V290 WeakPolarHBondContact O-CG2 3.4Å; R286-V290 PolarHBondContact O-N 3.11Å; K287-V290 PolarHBondContact O-N 3.43Å; V290-G294 PolarHBondContact O-N 3.34Å
291	I	77.1	Confident	80.8	Confident	37 Å²	37	55.7 Å²	55.7	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-49.1	173.8	-67.8	166.1	0	0	0	110.6	L232 K287 L289 G294 F295	L232-I291 HydrophobicContact CD1-CB 4.3Å; L232-I291 HydrophobicContact CD1-CG1 3.56Å; L232-I291 HydrophobicContact CD2-CG1 3.99Å; L232-I291 HydrophobicContact CG-CD1 4.47Å; L232-I291 HydrophobicContact CG-CG1 3.72Å; K287-I291 HydrophobicContact CD-CD1 4.34Å; K287-I291 HydrophobicContact CG-CD1 3.83Å; K287-I291 HydrophobicContact CG-CG1 4.5Å; K287-I291 VanDerWaalsContact O-CG1 3.28Å; K287-I291 WeakPolarHBondContact O-CG1 3.37Å; K287-I291 PolarHBondContact O-N 2.92Å; L289-I291 VanDerWaalsContact C-N 3.32Å; L289-I291 PolarHBondContact O-N 2.99Å; I291-G294 PolarHBondContact O-N 2.88Å; I291-F295 HydrophobicContact CG2-CD2 3.79Å; I291-F295 HydrophobicContact CG2-CE2 3.7Å; I291-F295 WeakPolarHBondContact O-CD2 3.4Å; I291-F295 PolarHBondContact O-N 2.96Å
292	G	77.2	Confident	80.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-45	179.5	0	0	0	0	0	113.1	N288 L289 F295 L296 C727	N288-G292 PolarHBondContact O-N 2.92Å; L289-G292 PolarHBondContact O-N 2.85Å; G292-F295 PolarHBondContact O-N 3.34Å; G292-L296 PolarHBondContact O-N 3.48Å; G292-C727 VanDerWaalsContact C-SG 3.53Å
293	F	80	Confident	79.6	Confident	104 Å²	104	47.5 Å²	47.5	46%	0.456	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-37.2	174.9	-92.2	-82.2	0	0	0	112.6	L289 L296 I297	L289-F293 HydrophobicContact CD2-CD2 3.45Å; L289-F293 VanDerWaalsContact CD2-CD2 3.45Å; L289-F293 HydrophobicContact CD2-CE2 3.65Å; L289-F293 HydrophobicContact CG-CD2 4.04Å; L289-F293 HydrophobicContact CG-CE2 4.14Å; L289-F293 WeakPolarHBondContact O-CD2 3.43Å; L289-F293 PolarHBondContact O-N 3.44Å; F293-L296 HydrophobicContact CD1-CD2 4.2Å; F293-L296 HydrophobicContact CE1-CD2 4.33Å; F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 PolarHBondContact O-N 2.84Å; F293-I297 WeakPolarHBondContact O-CG1 3.28Å; F293-I297 PolarHBondContact O-N 2.76Å
294	G	76.2	Confident	79.2	Confident	26 Å²	26	49.2 Å²	49.2	27%	0.268	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-50.4	172.5	0	0	0	0	0	111.1	V290 I291 L296 I297 T298	V290-G294 PolarHBondContact O-N 3.34Å; I291-G294 PolarHBondContact O-N 2.88Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 3.25Å; G294-I297 PolarHBondContact O-N 3.42Å; G294-T298 PolarHBondContact O-N 3.2Å; G294-T298 PolarHBondContact O-OG1 3.46Å; G294-T298 VanDerWaalsContact O-OG1 3.04Å
295	F	73.8	Confident	78.8	Confident	113 Å²	113	49.7 Å²	49.7	50%	0.496	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-43.7	174.2	-85.6	-65.3	0	0	0	112.5	I291 G292 T298 F299	I291-F295 HydrophobicContact CG2-CD2 3.79Å; I291-F295 HydrophobicContact CG2-CE2 3.7Å; I291-F295 WeakPolarHBondContact O-CD2 3.4Å; I291-F295 PolarHBondContact O-N 2.96Å; G292-F295 PolarHBondContact O-N 3.34Å; F295-T298 PolarHBondContact O-N 3.35Å; F295-F299 HydrophobicContact CD1-CD2 4.49Å; F295-F299 HydrophobicContact CD1-CE2 4.29Å; F295-F299 WeakPolarHBondContact O-CB 3.23Å; F295-F299 WeakPolarHBondContact O-CD2 3.46Å; F295-F299 PolarHBondContact O-N 3.33Å
296	L	76.8	Confident	78.5	Confident	30 Å²	30	48.7 Å²	48.7	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-51.4	177.9	178.2	64.2	0	0	0	111.8	G292 F293 G294 T298 F299 V300 A723 C727	G292-L296 PolarHBondContact O-N 3.48Å; F293-L296 HydrophobicContact CD1-CD2 4.2Å; F293-L296 HydrophobicContact CE1-CD2 4.33Å; F293-L296 WeakPolarHBondContact O-CB 3.44Å; F293-L296 PolarHBondContact O-N 2.84Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 3.25Å; L296-T298 PolarHBondContact O-N 3.27Å; L296-F299 PolarHBondContact O-N 3.11Å; L296-V300 HydrophobicContact CD1-CG2 3.88Å; L296-V300 HydrophobicContact CG-CG2 4.4Å; L296-V300 WeakPolarHBondContact O-CB 3.32Å; L296-V300 WeakPolarHBondContact O-CG2 3.33Å; L296-V300 PolarHBondContact O-N 2.86Å; L296-A723 HydrophobicContact CD1-CB 3.56Å; L296-A723 VanDerWaalsContact CD1-O 3.3Å; L296-A723 WeakPolarHBondContact CD1-O 3.28Å; L296-C727 HydrophobicContact CB-CB 4.08Å; L296-C727 HydrophobicContact CD2-CB 4.37Å
297	I	77.3	Confident	78	Confident	65 Å²	65	40.6 Å²	40.6	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-45.6	-178.6	-68.8	166.9	0	0	0	110.2	L225 L228 F293 G294 S301	L225-I297 HydrophobicContact CD2-CG2 3.69Å; L228-I297 HydrophobicContact CD2-CD1 4.25Å; F293-I297 WeakPolarHBondContact O-CG1 3.28Å; F293-I297 PolarHBondContact O-N 2.76Å; G294-I297 PolarHBondContact O-N 3.42Å; I297-S301 WeakPolarHBondContact O-CB 3.44Å; I297-S301 PolarHBondContact O-N 2.9Å; I297-S301 PolarHBondContact O-OG 2.81Å
298	T	74.9	Confident	77.9	Confident	48 Å²	48	43.6 Å²	43.6	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-45.2	177.1	-55.5	0	0	0	0	112.5	L226 G294 F295 L296 S301 T302	L226-T298 HydrophobicContact CD2-CG2 4.26Å; G294-T298 PolarHBondContact O-N 3.2Å; G294-T298 PolarHBondContact O-OG1 3.46Å; G294-T298 VanDerWaalsContact O-OG1 3.04Å; F295-T298 PolarHBondContact O-N 3.35Å; L296-T298 PolarHBondContact O-N 3.27Å; T298-S301 WeakPolarHBondContact CA-OG 3.48Å; T298-S301 PolarHBondContact O-OG 2.95Å; T298-T302 VanDerWaalsContact O-CB 3.24Å; T298-T302 WeakPolarHBondContact O-CB 3.36Å; T298-T302 PolarHBondContact O-N 2.86Å; T298-T302 PolarHBondContact O-OG1 3.36Å
299	F	75.5	Confident	77.9	Confident	73 Å²	73	43 Å²	43	32%	0.32	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-46.2	179.6	-94.6	-80	0	0	0	112.8	F295 L296 T302 F303 M699 A723	F295-F299 HydrophobicContact CD1-CD2 4.49Å; F295-F299 HydrophobicContact CD1-CE2 4.29Å; F295-F299 WeakPolarHBondContact O-CB 3.23Å; F295-F299 WeakPolarHBondContact O-CD2 3.46Å; F295-F299 PolarHBondContact O-N 3.33Å; L296-F299 PolarHBondContact O-N 3.11Å; F299-T302 PolarHBondContact O-N 3.39Å; F299-F303 HydrophobicContact CD1-CD2 4.3Å; F299-F303 AromaticContact CD1-CE2 3.74Å; F299-F303 HydrophobicContact CD1-CE2 3.74Å; F299-F303 HydrophobicContact CE1-CE2 4.25Å; F299-F303 WeakPolarHBondContact O-CD2 3.37Å; F299-F303 PolarHBondContact O-N 2.84Å; F299-F303 VanDerWaalsContact O-N 3.11Å; F299-M699 HydrophobicContact CE1-CE 3.87Å; F299-A723 HydrophobicContact CB-CB 4.21Å
300	V	77	Confident	77.7	Confident	44 Å²	44	39.9 Å²	39.9	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-47.3	179.3	171	0	0	0	0	110.5	L296 S304 A723	L296-V300 HydrophobicContact CD1-CG2 3.88Å; L296-V300 HydrophobicContact CG-CG2 4.4Å; L296-V300 WeakPolarHBondContact O-CB 3.32Å; L296-V300 WeakPolarHBondContact O-CG2 3.33Å; L296-V300 PolarHBondContact O-N 2.86Å; V300-S304 VanDerWaalsContact O-CB 3.26Å; V300-S304 WeakPolarHBondContact O-CB 3.42Å; V300-S304 PolarHBondContact O-N 2.68Å; V300-S304 PolarHBondContact O-OG 3.09Å; V300-A723 HydrophobicContact CG2-CB 3.42Å; V300-A723 VanDerWaalsContact CG2-CB 3.42Å
301	S	76.4	Confident	77.5	Confident	17 Å²	17	43.6 Å²	43.6	12%	0.119	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-46.8	177.8	57	0	0	0	0	111.3	L222 I297 T298 F303 S304 T305	L222-S301 WeakPolarHBondContact CD1-OG 3.12Å; I297-S301 WeakPolarHBondContact O-CB 3.44Å; I297-S301 PolarHBondContact O-N 2.9Å; I297-S301 PolarHBondContact O-OG 2.81Å; T298-S301 WeakPolarHBondContact CA-OG 3.48Å; T298-S301 PolarHBondContact O-OG 2.95Å; S301-F303 PolarHBondContact O-N 3.27Å; S301-S304 PolarHBondContact O-N 2.71Å; S301-T305 PolarHBondContact O-N 3.09Å; S301-T305 PolarHBondContact O-OG1 3.49Å; S301-T305 VanDerWaalsContact O-OG1 3.1Å
302	T	76.6	Confident	77.8	Confident	28 Å²	28	45.1 Å²	45.1	17%	0.172	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-50.8	-178.6	-62.8	0	0	0	0	112	T298 F299 S304 T305 Y306	T298-T302 VanDerWaalsContact O-CB 3.24Å; T298-T302 WeakPolarHBondContact O-CB 3.36Å; T298-T302 PolarHBondContact O-N 2.86Å; T298-T302 PolarHBondContact O-OG1 3.36Å; F299-T302 PolarHBondContact O-N 3.39Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 2.77Å; T302-T305 PolarHBondContact O-N 2.68Å; T302-Y306 HydrophobicContact CG2-CD2 4.34Å; T302-Y306 HydrophobicContact CG2-CE1 3.92Å; T302-Y306 HydrophobicContact CG2-CE2 3.66Å; T302-Y306 VanDerWaalsContact CG2-CZ 3.41Å; T302-Y306 WeakPolarHBondContact CG2-OH 3.24Å; T302-Y306 WeakPolarHBondContact O-CD1 3.48Å; T302-Y306 VanDerWaalsContact O-CG 3.27Å; T302-Y306 PolarHBondContact O-N 2.94Å
303	F	77.2	Confident	77.9	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-31.5	178.6	-76.4	-61.5	0	0	0	113.3	F299 S301 Y306 A307 V698 M699 F702	F299-F303 HydrophobicContact CD1-CD2 4.3Å; F299-F303 AromaticContact CD1-CE2 3.74Å; F299-F303 HydrophobicContact CD1-CE2 3.74Å; F299-F303 HydrophobicContact CE1-CE2 4.25Å; F299-F303 WeakPolarHBondContact O-CD2 3.37Å; F299-F303 PolarHBondContact O-N 2.84Å; F299-F303 VanDerWaalsContact O-N 3.11Å; S301-F303 PolarHBondContact O-N 3.27Å; F303-Y306 AromaticContact CD1-CD2 3.98Å; F303-Y306 HydrophobicContact CD1-CD2 3.98Å; F303-Y306 HydrophobicContact CE1-CD2 4.35Å; F303-Y306 PolarHBondContact O-N 2.87Å; F303-A307 WeakPolarHBondContact O-CB 3.42Å; F303-A307 PolarHBondContact O-N 3.41Å; F303-V698 HydrophobicContact CE2-CG1 3.54Å; F303-V698 HydrophobicContact CZ-CG1 3.49Å; F303-V698 VanDerWaalsContact CZ-CG1 3.49Å; F303-M699 HydrophobicContact CZ-CE 3.99Å; F303-F702 AromaticContact CD1-CD2 3.83Å; F303-F702 HydrophobicContact CD1-CD2 3.83Å; F303-F702 AromaticContact CD1-CE2 3.94Å; F303-F702 HydrophobicContact CD1-CE2 3.94Å; F303-F702 HydrophobicContact CD1-CG 4.47Å; F303-F702 HydrophobicContact CE1-CB 4.12Å; F303-F702 HydrophobicContact CE1-CD1 4.26Å; F303-F702 AromaticContact CE1-CD2 3.51Å; F303-F702 HydrophobicContact CE1-CD2 3.51Å; F303-F702 AromaticContact CE1-CE2 3.93Å; F303-F702 HydrophobicContact CE1-CE2 3.93Å; F303-F702 AromaticContact CE1-CG 3.7Å; F303-F702 HydrophobicContact CE1-CG 3.7Å; F303-F702 HydrophobicContact CE1-CZ 4.47Å
304	S	77.9	Confident	77.7	Confident	49 Å²	49	42.2 Å²	42.2	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-39.9	175.3	-57.4	0	0	0	0	111.1	V300 S301 T302 A307 L308	V300-S304 VanDerWaalsContact O-CB 3.26Å; V300-S304 WeakPolarHBondContact O-CB 3.42Å; V300-S304 PolarHBondContact O-N 2.68Å; V300-S304 PolarHBondContact O-OG 3.09Å; S301-S304 PolarHBondContact O-N 2.71Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 2.77Å; S304-A307 WeakPolarHBondContact O-CB 3.42Å; S304-A307 PolarHBondContact O-N 3.35Å; S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 PolarHBondContact O-N 3.4Å
305	T	79	Confident	77.9	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-40.7	173.9	-59.3	0	0	0	0	111.2	M219 L222 S301 T302 A307 L308 A309	M219-T305 HydrophobicContact SD-CG2 3.75Å; L222-T305 HydrophobicContact CB-CG2 4.23Å; S301-T305 PolarHBondContact O-N 3.09Å; S301-T305 PolarHBondContact O-OG1 3.49Å; S301-T305 VanDerWaalsContact O-OG1 3.1Å; T302-T305 PolarHBondContact O-N 2.68Å; T305-A307 VanDerWaalsContact C-N 3.34Å; T305-A307 PolarHBondContact O-N 3.03Å; T305-L308 PolarHBondContact O-N 2.9Å; T305-A309 VanDerWaalsContact O-CB 3.26Å; T305-A309 WeakPolarHBondContact O-CB 3.5Å; T305-A309 PolarHBondContact O-N 2.9Å
306	Y	79.8	Confident	78.2	Confident	22 Å²	22	40.8 Å²	40.8	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-45.9	174.4	-63.9	-10.3	0	0	0	111.5	M219 T302 F303 L308 A309 F310 F332 M336 F702	M219-Y306 HydrophobicContact CE-CD1 4.37Å; M219-Y306 HydrophobicContact CE-CE1 4.41Å; T302-Y306 HydrophobicContact CG2-CD2 4.34Å; T302-Y306 HydrophobicContact CG2-CE1 3.92Å; T302-Y306 HydrophobicContact CG2-CE2 3.66Å; T302-Y306 VanDerWaalsContact CG2-CZ 3.41Å; T302-Y306 WeakPolarHBondContact CG2-OH 3.24Å; T302-Y306 WeakPolarHBondContact O-CD1 3.48Å; T302-Y306 VanDerWaalsContact O-CG 3.27Å; T302-Y306 PolarHBondContact O-N 2.94Å; F303-Y306 AromaticContact CD1-CD2 3.98Å; F303-Y306 HydrophobicContact CD1-CD2 3.98Å; F303-Y306 HydrophobicContact CE1-CD2 4.35Å; F303-Y306 PolarHBondContact O-N 2.87Å; Y306-L308 PolarHBondContact O-N 2.77Å; Y306-A309 PolarHBondContact O-N 2.84Å; Y306-F310 WeakPolarHBondContact O-CD2 3.41Å; Y306-F310 PolarHBondContact O-N 3.39Å; Y306-F332 HydrophobicContact CD1-CD2 4.5Å; Y306-F332 AromaticContact CD1-CE2 3.33Å; Y306-F332 HydrophobicContact CD1-CE2 3.33Å; Y306-F332 AromaticContact CD1-CZ 3.64Å; Y306-F332 HydrophobicContact CD1-CZ 3.64Å; Y306-F332 HydrophobicContact CD2-CE2 4.42Å; Y306-F332 HydrophobicContact CD2-CZ 4.07Å; Y306-F332 AromaticContact CE1-CE2 3.78Å; Y306-F332 HydrophobicContact CE1-CE2 3.78Å; Y306-F332 AromaticContact CE1-CZ 3.73Å; Y306-F332 HydrophobicContact CE1-CZ 3.73Å; Y306-F332 HydrophobicContact CE2-CZ 4.16Å; Y306-F332 AromaticContact CG-CE2 3.69Å; Y306-F332 HydrophobicContact CG-CE2 3.69Å; Y306-F332 AromaticContact CG-CZ 3.8Å; Y306-F332 HydrophobicContact CG-CZ 3.8Å; Y306-F332 AromaticContact CZ-CZ 4Å; Y306-M336 PolarHBondContact OH-SD 3.16Å; Y306-M336 VanDerWaalsContact OH-SD 3.4Å; Y306-F702 HydrophobicContact CD2-CE1 4.15Å; Y306-F702 AromaticContact CD2-CE2 3.91Å; Y306-F702 HydrophobicContact CD2-CE2 3.91Å; Y306-F702 AromaticContact CD2-CZ 3.44Å; Y306-F702 HydrophobicContact CD2-CZ 3.44Å; Y306-F702 VanDerWaalsContact CD2-CZ 3.44Å; Y306-F702 HydrophobicContact CE2-CE1 4.32Å; Y306-F702 HydrophobicContact CE2-CZ 4.06Å; Y306-F702 HydrophobicContact CG-CZ 4.26Å
307	A	77.4	Confident	78.2	Confident	12 Å²	12	40.9 Å²	40.9	10%	0.099	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-47.7	175.7	0	0	0	0	0	112	F303 S304 T305 A309 F310 W311 F714	F303-A307 WeakPolarHBondContact O-CB 3.42Å; F303-A307 PolarHBondContact O-N 3.41Å; S304-A307 WeakPolarHBondContact O-CB 3.42Å; S304-A307 PolarHBondContact O-N 3.35Å; T305-A307 VanDerWaalsContact C-N 3.34Å; T305-A307 PolarHBondContact O-N 3.03Å; A307-A309 VanDerWaalsContact C-N 3.35Å; A307-A309 PolarHBondContact O-N 3.18Å; A307-F310 PolarHBondContact O-N 3.22Å; A307-W311 VanDerWaalsContact O-CB 3.3Å; A307-W311 WeakPolarHBondContact O-CB 3.48Å; A307-W311 PolarHBondContact O-N 2.74Å; A307-F714 HydrophobicContact CB-CD1 3.24Å; A307-F714 HydrophobicContact CB-CE1 3.5Å; A307-F714 HydrophobicContact CB-CG 4.02Å; A307-F714 HydrophobicContact CB-CZ 4.44Å
308	L	80.2	Confident	78	Confident	78 Å²	78	44.2 Å²	44.2	41%	0.408	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-41.3	179.7	-173.4	68.7	0	0	0	111.6	V218 S304 T305 Y306 W311 Y312	V218-L308 HydrophobicContact CG1-CD2 3.67Å; V218-L308 HydrophobicContact CG1-CG 3.79Å; S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 PolarHBondContact O-N 3.4Å; T305-L308 PolarHBondContact O-N 2.9Å; Y306-L308 PolarHBondContact O-N 2.77Å; L308-W311 HydrophobicContact CD1-CE3 4.12Å; L308-W311 HydrophobicContact CD1-CZ3 4.39Å; L308-W311 PolarHBondContact O-N 3.39Å; L308-Y312 VanDerWaalsContact O-CB 3.23Å; L308-Y312 WeakPolarHBondContact O-CB 3.28Å; L308-Y312 PolarHBondContact O-N 3.4Å
309	A	81.4	Confident	78.2	Confident	2 Å²	2	48 Å²	48	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-42.7	179.2	0	0	0	0	0	112.3	L215 M219 T305 Y306 A307 G313	L215-A309 HydrophobicContact CD1-CB 4.17Å; L215-A309 WeakPolarHBondContact CD1-O 3.38Å; M219-A309 HydrophobicContact CG-CB 3.92Å; M219-A309 HydrophobicContact SD-CB 3.24Å; M219-A309 WeakPolarHBondContact SD-CB 3.42Å; T305-A309 VanDerWaalsContact O-CB 3.26Å; T305-A309 WeakPolarHBondContact O-CB 3.5Å; T305-A309 PolarHBondContact O-N 2.9Å; Y306-A309 PolarHBondContact O-N 2.84Å; A307-A309 VanDerWaalsContact C-N 3.35Å; A307-A309 PolarHBondContact O-N 3.18Å; A309-G313 WeakPolarHBondContact O-CA 3.2Å; A309-G313 PolarHBondContact O-N 2.93Å
310	F	78.3	Confident	78.2	Confident	9 Å²	9	47.5 Å²	47.5	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-40.1	175.9	-73.1	-58.8	0	0	0	112.5	Y306 A307 G313 S314 I328 F329 F332 F706 V709	Y306-F310 WeakPolarHBondContact O-CD2 3.41Å; Y306-F310 PolarHBondContact O-N 3.39Å; A307-F310 PolarHBondContact O-N 3.22Å; F310-G313 PolarHBondContact O-N 2.74Å; F310-S314 WeakPolarHBondContact O-CB 3.3Å; F310-S314 PolarHBondContact O-N 2.92Å; F310-S314 PolarHBondContact O-OG 3.05Å; F310-I328 HydrophobicContact CD1-CG2 4.05Å; F310-I328 HydrophobicContact CE1-CG2 4.07Å; F310-F329 HydrophobicContact CE1-CD1 4.38Å; F310-F329 AromaticContact CE1-CE1 3.99Å; F310-F329 HydrophobicContact CE1-CE1 3.99Å; F310-F329 HydrophobicContact CE1-CZ 4.41Å; F310-F332 HydrophobicContact CE1-CD2 4.39Å; F310-F332 HydrophobicContact CE1-CG 4.45Å; F310-F332 AromaticContact CE2-CD2 3.89Å; F310-F332 HydrophobicContact CE2-CD2 3.89Å; F310-F332 AromaticContact CE2-CE2 3.59Å; F310-F332 HydrophobicContact CE2-CE2 3.59Å; F310-F332 HydrophobicContact CE2-CG 4.48Å; F310-F332 AromaticContact CE2-CZ 3.96Å; F310-F332 HydrophobicContact CE2-CZ 3.96Å; F310-F332 HydrophobicContact CZ-CB 4.49Å; F310-F332 HydrophobicContact CZ-CD1 4.07Å; F310-F332 AromaticContact CZ-CD2 3.62Å; F310-F332 HydrophobicContact CZ-CD2 3.62Å; F310-F332 HydrophobicContact CZ-CE1 4.21Å; F310-F332 AromaticContact CZ-CE2 3.74Å; F310-F332 HydrophobicContact CZ-CE2 3.74Å; F310-F332 AromaticContact CZ-CG 3.79Å; F310-F332 HydrophobicContact CZ-CG 3.79Å; F310-F332 HydrophobicContact CZ-CZ 4.06Å; F310-F706 HydrophobicContact CE1-CE2 4.25Å; F310-F706 HydrophobicContact CE1-CZ 4.39Å; F310-F706 AromaticContact CE2-CD2 3.93Å; F310-F706 HydrophobicContact CE2-CD2 3.93Å; F310-F706 AromaticContact CE2-CE2 3.61Å; F310-F706 HydrophobicContact CE2-CE2 3.61Å; F310-F706 HydrophobicContact CE2-CZ 4.5Å; F310-F706 AromaticContact CZ-CD2 3.92Å; F310-F706 HydrophobicContact CZ-CD2 3.92Å; F310-F706 AromaticContact CZ-CE2 3.21Å; F310-F706 HydrophobicContact CZ-CE2 3.21Å; F310-F706 AromaticContact CZ-CZ 3.7Å; F310-F706 HydrophobicContact CZ-CZ 3.7Å; F310-V709 HydrophobicContact CB-CG1 4.02Å; F310-V709 HydrophobicContact CB-CG2 4.46Å; F310-V709 HydrophobicContact CD1-CG1 3.7Å; F310-V709 HydrophobicContact CD1-CG2 4.47Å; F310-V709 HydrophobicContact CD2-CG2 4.35Å; F310-V709 HydrophobicContact CE1-CG1 4.47Å; F310-V709 HydrophobicContact CG-CG1 3.96Å; F310-V709 HydrophobicContact CG-CG2 4.17Å
311	W	78	Confident	77.9	Confident	135 Å²	135	51.2 Å²	51.2	51%	0.511	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-46.1	176.8	174	77.1	0	0	0	112.7	A307 L308 S314 K315	A307-W311 VanDerWaalsContact O-CB 3.3Å; A307-W311 WeakPolarHBondContact O-CB 3.48Å; A307-W311 PolarHBondContact O-N 2.74Å; L308-W311 HydrophobicContact CD1-CE3 4.12Å; L308-W311 HydrophobicContact CD1-CZ3 4.39Å; L308-W311 PolarHBondContact O-N 3.39Å; W311-S314 PolarHBondContact O-OG 3.32Å; W311-K315 PolarHBondContact O-N 3.49Å
312	Y	82.3	Confident	77.8	Confident	68 Å²	68	57.9 Å²	57.9	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-69.8	-39	176.8	-176	-106.2	0	0	0	111.2	K214 L215 V218 L308 K315 L316	K214-Y312 HydrophobicContact CB-CE1 4.2Å; L215-Y312 HydrophobicContact CD1-CD1 4.22Å; V218-Y312 HydrophobicContact CG2-CD1 3.84Å; V218-Y312 HydrophobicContact CG2-CE1 4.07Å; V218-Y312 HydrophobicContact CG2-CG 4.35Å; L308-Y312 VanDerWaalsContact O-CB 3.23Å; L308-Y312 WeakPolarHBondContact O-CB 3.28Å; L308-Y312 PolarHBondContact O-N 3.4Å; Y312-K315 PolarHBondContact O-N 2.91Å; Y312-L316 WeakPolarHBondContact O-CB 3.26Å; Y312-L316 PolarHBondContact O-N 3.27Å
313	G	80.6	Confident	77.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.7	0	0	0	0	0	112.4	A309 F310 K315 L316 I317 I328	A309-G313 WeakPolarHBondContact O-CA 3.2Å; A309-G313 PolarHBondContact O-N 2.93Å; F310-G313 PolarHBondContact O-N 2.74Å; G313-K315 VanDerWaalsContact C-N 3.32Å; G313-K315 PolarHBondContact O-N 3.15Å; G313-L316 WeakPolarHBondContact O-CB 3.44Å; G313-L316 PolarHBondContact O-N 3.34Å; G313-L316 VanDerWaalsContact O-N 3.07Å; G313-I317 PolarHBondContact O-N 2.95Å; G313-I328 VanDerWaalsContact O-CD1 3.28Å; G313-I328 WeakPolarHBondContact O-CD1 3.39Å
314	S	75.1	Confident	77.5	Confident	44 Å²	44	60.2 Å²	60.2	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-43.6	178.4	69.1	0	0	0	0	111.4	F310 W311 L316 I317 D318	F310-S314 WeakPolarHBondContact O-CB 3.3Å; F310-S314 PolarHBondContact O-N 2.92Å; F310-S314 PolarHBondContact O-OG 3.05Å; W311-S314 PolarHBondContact O-OG 3.32Å; S314-L316 VanDerWaalsContact C-N 3.27Å; S314-L316 PolarHBondContact O-N 2.86Å; S314-I317 PolarHBondContact O-N 2.75Å; S314-D318 PolarHBondContact O-N 3.34Å
315	K	79.5	Confident	77.3	Confident	99 Å²	99	61.2 Å²	61.2	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-34.7	174.9	-169.8	-179.7	-179.5	180	0	112.4	W311 Y312 G313 D318 Q319	W311-K315 PolarHBondContact O-N 3.49Å; Y312-K315 PolarHBondContact O-N 2.91Å; G313-K315 VanDerWaalsContact C-N 3.32Å; G313-K315 PolarHBondContact O-N 3.15Å; K315-D318 PolarHBondContact O-N 3.49Å; K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.73Å
316	L	81.4	Confident	77.2	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-68.9	-37.1	178.7	-163.7	72.8	0	0	0	111.9	K214 Y312 G313 S314 D318 Q319 D320 L323	K214-L316 HydrophobicContact CD-CD1 4Å; Y312-L316 WeakPolarHBondContact O-CB 3.26Å; Y312-L316 PolarHBondContact O-N 3.27Å; G313-L316 WeakPolarHBondContact O-CB 3.44Å; G313-L316 PolarHBondContact O-N 3.34Å; G313-L316 VanDerWaalsContact O-N 3.07Å; S314-L316 VanDerWaalsContact C-N 3.27Å; S314-L316 PolarHBondContact O-N 2.86Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-Q319 PolarHBondContact O-N 3.08Å; L316-D320 PolarHBondContact O-N 3.05Å; L316-L323 HydrophobicContact CD2-CD2 4.06Å; L316-L323 HydrophobicContact CG-CD2 4.45Å
317	I	75.9	Confident	77.4	Confident	32 Å²	32	59.9 Å²	59.9	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-41	173.6	-72.3	173.9	0	0	0	111	G313 S314 Q319 L323 R325 I328	G313-I317 PolarHBondContact O-N 2.95Å; S314-I317 PolarHBondContact O-N 2.75Å; I317-Q319 PolarHBondContact O-N 3Å; I317-L323 HydrophobicContact CG1-CD2 4.38Å; I317-R325 HydrophobicContact CD1-CB 4.08Å; I317-R325 HydrophobicContact CD1-CG 4.2Å; I317-R325 HydrophobicContact CG2-CG 4.03Å; I317-I328 HydrophobicContact CD1-CD1 3.15Å; I317-I328 HydrophobicContact CD1-CG1 3.85Å; I317-I328 HydrophobicContact CG1-CD1 3.72Å; I317-I328 HydrophobicContact CG1-CG1 4.24Å
318	D	73.6	Confident	77.7	Confident	134 Å²	134	59.9 Å²	59.9	72%	0.717	30%	0.304	S	S	*	.	H	α-helix	trans	-66.9	-28.2	179.7	-65.4	-24	0	0	0	112.3	S314 K315 L316	S314-D318 PolarHBondContact O-N 3.34Å; K315-D318 PolarHBondContact O-N 3.49Å; L316-D318 VanDerWaalsContact C-N 3.33Å
319	Q	79.7	Confident	77.9	Confident	127 Å²	127	56.5 Å²	56.5	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-91.5	-31.4	-177.6	-70.5	-177.9	-20.7	0	0	113.9	K315 L316 I317 P321	K315-Q319 WeakPolarHBondContact O-CG 3.33Å; K315-Q319 PolarHBondContact O-N 2.73Å; L316-Q319 PolarHBondContact O-N 3.08Å; I317-Q319 PolarHBondContact O-N 3Å; Q319-P321 WeakPolarHBondContact O-CD 3.39Å
320	D	75.4	Confident	78.3	Confident	64 Å²	64	56.5 Å²	56.5	34%	0.342	29%	0.286	S	S	.	.			trans	-118.1	92.5	-176.6	-169	-8.2	0	0	0	110.8	L316 L322 L323	L316-D320 PolarHBondContact O-N 3.05Å; D320-L322 PolarHBondContact O-N 3.01Å; D320-L322 VanDerWaalsContact O-N 3.14Å; D320-L322 PolarHBondContact OD1-N 3.22Å; D320-L323 HydrophobicContact CB-CB 4.39Å; D320-L323 PolarHBondContact O-N 3.23Å; D320-L323 VanDerWaalsContact O-N 3.13Å
321	P	69.2	Low	78.9	Confident	121 Å²	121	56 Å²	56	79%	0.786	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.1	-177.8	24.8	-32.4	0	0	0	114	Q319 L323	Q319-P321 WeakPolarHBondContact O-CD 3.39Å; P321-L323 VanDerWaalsContact C-N 3.35Å
322	L	74.7	Confident	79.3	Confident	158 Å²	158	49.7 Å²	49.7	83%	0.827	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.4	176.2	-68.5	166	0	0	0	112.6	D320 P324	D320-L322 PolarHBondContact O-N 3.01Å; D320-L322 VanDerWaalsContact O-N 3.14Å; D320-L322 PolarHBondContact OD1-N 3.22Å; L322-P324 WeakPolarHBondContact O-CD 3.34Å
323	L	73.5	Confident	79.5	Confident	28 Å²	28	47.7 Å²	47.7	15%	0.147	25%	0.252	C	S	.	.	S	Bend	trans	-79.4	118	-178.3	-161.4	81.8	0	0	0	110.5	L316 I317 D320 P321 R325 A327	L316-L323 HydrophobicContact CD2-CD2 4.06Å; L316-L323 HydrophobicContact CG-CD2 4.45Å; I317-L323 HydrophobicContact CG1-CD2 4.38Å; D320-L323 HydrophobicContact CB-CB 4.39Å; D320-L323 PolarHBondContact O-N 3.23Å; D320-L323 VanDerWaalsContact O-N 3.13Å; P321-L323 VanDerWaalsContact C-N 3.35Å; L323-R325 PolarHBondContact O-N 3.47Å; L323-A327 HydrophobicContact CD1-CB 4.4Å; L323-A327 HydrophobicContact CG-CB 4.2Å
324	P	74.6	Confident	80	Confident	61 Å²	61	47.7 Å²	47.7	40%	0.396	25%	0.252	S	S	.	.			trans	-59.9	137.8	175.3	-19.3	30.7	0	0	0	110.3	L322 G326 A327	L322-P324 WeakPolarHBondContact O-CD 3.34Å; P324-G326 PolarHBondContact O-N 3.13Å; P324-G326 VanDerWaalsContact O-N 3.17Å; P324-A327 HydrophobicContact CB-CB 4.46Å; P324-A327 WeakPolarHBondContact O-CB 3.43Å; P324-A327 PolarHBondContact O-N 3.45Å
325	R	72.7	Confident	80.7	Confident	70 Å²	70	45.7 Å²	45.7	26%	0.264	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.5	-177.8	-61.9	-175.4	175.9	-178.9	-1.7	111.7	D76 I79 I317 L323 A327	D76-R325 PolarHBondContact OD1-N 3.08Å; I79-R325 HydrophobicContact CD1-CB 4.21Å; I317-R325 HydrophobicContact CD1-CB 4.08Å; I317-R325 HydrophobicContact CD1-CG 4.2Å; I317-R325 HydrophobicContact CG2-CG 4.03Å; L323-R325 PolarHBondContact O-N 3.47Å; R325-A327 VanDerWaalsContact C-N 3.26Å; R325-A327 PolarHBondContact O-N 3.27Å
326	G	77.8	Confident	80.9	Confident	3 Å²	3	41.8 Å²	41.8	3%	0.031	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.5	172.3	0	0	0	0	0	115.8	G72 D76 P324 I328 F329 T330	G72-G326 WeakPolarHBondContact CA-O 3.41Å; G72-G326 WeakPolarHBondContact O-CA 3.43Å; D76-G326 PolarHBondContact OD1-N 3.3Å; P324-G326 PolarHBondContact O-N 3.13Å; P324-G326 VanDerWaalsContact O-N 3.17Å; G326-I328 VanDerWaalsContact C-N 3.31Å; G326-I328 PolarHBondContact O-N 3.13Å; G326-F329 PolarHBondContact O-N 3.4Å; G326-F329 VanDerWaalsContact O-N 3.13Å; G326-T330 PolarHBondContact O-N 3.34Å; G326-T330 PolarHBondContact O-OG1 2.93Å
327	A	83.3	Confident	81.1	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-30.3	-175.4	0	0	0	0	0	113.1	Y211 L323 P324 R325 F329 T330 V331	Y211-A327 HydrophobicContact CD1-CB 4.14Å; L323-A327 HydrophobicContact CD1-CB 4.4Å; L323-A327 HydrophobicContact CG-CB 4.2Å; P324-A327 HydrophobicContact CB-CB 4.46Å; P324-A327 WeakPolarHBondContact O-CB 3.43Å; P324-A327 PolarHBondContact O-N 3.45Å; R325-A327 VanDerWaalsContact C-N 3.26Å; R325-A327 PolarHBondContact O-N 3.27Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 3.26Å; A327-T330 WeakPolarHBondContact O-CB 3.39Å; A327-T330 PolarHBondContact O-N 3.35Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.1Å
328	I	84.7	Confident	81.6	Confident	11 Å²	11	40.8 Å²	40.8	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-45.1	173.3	-63.3	-179.9	0	0	0	110.3	L215 F310 G313 I317 G326 V331 F332	L215-I328 HydrophobicContact CD2-CB 4.3Å; L215-I328 HydrophobicContact CD2-CG1 4.33Å; L215-I328 HydrophobicContact CD2-CG2 3.98Å; F310-I328 HydrophobicContact CD1-CG2 4.05Å; F310-I328 HydrophobicContact CE1-CG2 4.07Å; G313-I328 VanDerWaalsContact O-CD1 3.28Å; G313-I328 WeakPolarHBondContact O-CD1 3.39Å; I317-I328 HydrophobicContact CD1-CD1 3.15Å; I317-I328 HydrophobicContact CD1-CG1 3.85Å; I317-I328 HydrophobicContact CG1-CD1 3.72Å; I317-I328 HydrophobicContact CG1-CG1 4.24Å; G326-I328 VanDerWaalsContact C-N 3.31Å; G326-I328 PolarHBondContact O-N 3.13Å; I328-V331 PolarHBondContact O-N 3.48Å; I328-F332 VanDerWaalsContact O-CB 3.22Å; I328-F332 WeakPolarHBondContact O-CB 3.5Å; I328-F332 PolarHBondContact O-N 3.43Å
329	F	85.1	Confident	82.1	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-38.5	-179	-65.7	-86.4	0	0	0	111.3	T75 F310 G326 A327 V331 F332 F333 F706 F710	T75-F329 HydrophobicContact CG2-CD2 3.81Å; T75-F329 HydrophobicContact CG2-CE2 3.94Å; T75-F329 HydrophobicContact CG2-CG 4.21Å; T75-F329 HydrophobicContact CG2-CZ 4.43Å; F310-F329 HydrophobicContact CE1-CD1 4.38Å; F310-F329 AromaticContact CE1-CE1 3.99Å; F310-F329 HydrophobicContact CE1-CE1 3.99Å; F310-F329 HydrophobicContact CE1-CZ 4.41Å; G326-F329 PolarHBondContact O-N 3.4Å; G326-F329 VanDerWaalsContact O-N 3.13Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 3.26Å; F329-V331 PolarHBondContact O-N 3.42Å; F329-F332 PolarHBondContact O-N 3.32Å; F329-F333 HydrophobicContact CB-CD2 4.28Å; F329-F333 HydrophobicContact CB-CE2 4.21Å; F329-F333 HydrophobicContact CD1-CE2 4.14Å; F329-F333 WeakPolarHBondContact O-CB 3.45Å; F329-F333 WeakPolarHBondContact O-CD2 3.33Å; F329-F333 PolarHBondContact O-N 3.19Å; F329-F706 AromaticContact CD1-CE1 3.65Å; F329-F706 HydrophobicContact CD1-CE1 3.65Å; F329-F706 AromaticContact CD1-CZ 3.63Å; F329-F706 HydrophobicContact CD1-CZ 3.63Å; F329-F706 HydrophobicContact CE1-CD1 4.22Å; F329-F706 AromaticContact CE1-CE1 3.37Å; F329-F706 HydrophobicContact CE1-CE1 3.37Å; F329-F706 AromaticContact CE1-CZ 3.61Å; F329-F706 HydrophobicContact CE1-CZ 3.61Å; F329-F710 HydrophobicContact CE1-CZ 4.33Å; F329-F710 AromaticContact CE2-CE1 3.52Å; F329-F710 HydrophobicContact CE2-CE1 3.52Å; F329-F710 AromaticContact CE2-CZ 3.88Å; F329-F710 HydrophobicContact CE2-CZ 3.88Å; F329-F710 AromaticContact CZ-CE1 3.49Å; F329-F710 HydrophobicContact CZ-CE1 3.49Å; F329-F710 VanDerWaalsContact CZ-CE1 3.49Å; F329-F710 AromaticContact CZ-CZ 3.51Å; F329-F710 HydrophobicContact CZ-CZ 3.51Å
330	T	89.8	Confident	82.1	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-55.1	-51.8	172.3	-56.5	0	0	0	0	111.1	S68 I69 G72 I207 Y211 G326 A327 A334	S68-T330 WeakPolarHBondContact CB-O 3.11Å; S68-T330 PolarHBondContact O-OG1 2.92Å; S68-T330 PolarHBondContact OG-O 3.43Å; S68-T330 VanDerWaalsContact OG-O 3.07Å; I69-T330 HydrophobicContact CB-CG2 4.39Å; I69-T330 HydrophobicContact CG1-CG2 3.85Å; G72-T330 WeakPolarHBondContact CA-OG1 3.28Å; I207-T330 HydrophobicContact CG2-CG2 3.97Å; Y211-T330 HydrophobicContact CD1-CG2 4.36Å; Y211-T330 HydrophobicContact CD2-CG2 3.76Å; Y211-T330 HydrophobicContact CE1-CG2 4.44Å; Y211-T330 HydrophobicContact CE2-CG2 3.87Å; Y211-T330 HydrophobicContact CG-CG2 4.03Å; G326-T330 PolarHBondContact O-N 3.34Å; G326-T330 PolarHBondContact O-OG1 2.93Å; A327-T330 WeakPolarHBondContact O-CB 3.39Å; A327-T330 PolarHBondContact O-N 3.35Å; T330-A334 WeakPolarHBondContact O-CB 3.17Å; T330-A334 PolarHBondContact O-N 3.45Å
331	V	90.1	Very high	82.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-44.7	-179.2	175.7	0	0	0	0	110.9	L215 A327 I328 F329 A334 I335	L215-V331 HydrophobicContact CB-CG1 4.22Å; L215-V331 HydrophobicContact CD2-CB 4.04Å; L215-V331 HydrophobicContact CD2-CG1 3.95Å; L215-V331 HydrophobicContact CG-CG1 4.02Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.1Å; I328-V331 PolarHBondContact O-N 3.48Å; F329-V331 PolarHBondContact O-N 3.42Å; V331-A334 PolarHBondContact O-N 3.29Å; V331-I335 HydrophobicContact CG1-CD1 3.65Å; V331-I335 HydrophobicContact CG1-CG1 4.44Å; V331-I335 WeakPolarHBondContact O-CB 3.45Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 2.96Å
332	F	86.9	Confident	83.3	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-53.6	179	178.7	-92.6	0	0	0	111.8	M219 Y306 F310 I328 F329 M336 F706	M219-F332 HydrophobicContact CE-CD2 3.66Å; M219-F332 HydrophobicContact CE-CE2 3.94Å; M219-F332 HydrophobicContact CE-CG 4.45Å; M219-F332 HydrophobicContact SD-CD2 4.32Å; Y306-F332 HydrophobicContact CD1-CD2 4.5Å; Y306-F332 AromaticContact CD1-CE2 3.33Å; Y306-F332 HydrophobicContact CD1-CE2 3.33Å; Y306-F332 AromaticContact CD1-CZ 3.64Å; Y306-F332 HydrophobicContact CD1-CZ 3.64Å; Y306-F332 HydrophobicContact CD2-CE2 4.42Å; Y306-F332 HydrophobicContact CD2-CZ 4.07Å; Y306-F332 AromaticContact CE1-CE2 3.78Å; Y306-F332 HydrophobicContact CE1-CE2 3.78Å; Y306-F332 AromaticContact CE1-CZ 3.73Å; Y306-F332 HydrophobicContact CE1-CZ 3.73Å; Y306-F332 HydrophobicContact CE2-CZ 4.16Å; Y306-F332 AromaticContact CG-CE2 3.69Å; Y306-F332 HydrophobicContact CG-CE2 3.69Å; Y306-F332 AromaticContact CG-CZ 3.8Å; Y306-F332 HydrophobicContact CG-CZ 3.8Å; Y306-F332 AromaticContact CZ-CZ 4Å; F310-F332 HydrophobicContact CE1-CD2 4.39Å; F310-F332 HydrophobicContact CE1-CG 4.45Å; F310-F332 AromaticContact CE2-CD2 3.89Å; F310-F332 HydrophobicContact CE2-CD2 3.89Å; F310-F332 AromaticContact CE2-CE2 3.59Å; F310-F332 HydrophobicContact CE2-CE2 3.59Å; F310-F332 HydrophobicContact CE2-CG 4.48Å; F310-F332 AromaticContact CE2-CZ 3.96Å; F310-F332 HydrophobicContact CE2-CZ 3.96Å; F310-F332 HydrophobicContact CZ-CB 4.49Å; F310-F332 HydrophobicContact CZ-CD1 4.07Å; F310-F332 AromaticContact CZ-CD2 3.62Å; F310-F332 HydrophobicContact CZ-CD2 3.62Å; F310-F332 HydrophobicContact CZ-CE1 4.21Å; F310-F332 AromaticContact CZ-CE2 3.74Å; F310-F332 HydrophobicContact CZ-CE2 3.74Å; F310-F332 AromaticContact CZ-CG 3.79Å; F310-F332 HydrophobicContact CZ-CG 3.79Å; F310-F332 HydrophobicContact CZ-CZ 4.06Å; I328-F332 VanDerWaalsContact O-CB 3.22Å; I328-F332 WeakPolarHBondContact O-CB 3.5Å; I328-F332 PolarHBondContact O-N 3.43Å; F329-F332 PolarHBondContact O-N 3.32Å; F332-M336 HydrophobicContact CE1-SD 4.01Å; F332-M336 HydrophobicContact CZ-SD 4.33Å; F332-M336 WeakPolarHBondContact O-CB 3.37Å; F332-M336 PolarHBondContact O-N 2.91Å; F332-F706 HydrophobicContact CD1-CE2 4.1Å; F332-F706 HydrophobicContact CD1-CZ 4.19Å; F332-F706 AromaticContact CE1-CE2 3.65Å; F332-F706 HydrophobicContact CE1-CE2 3.65Å; F332-F706 HydrophobicContact CE1-CZ 4.13Å; F332-F706 HydrophobicContact CZ-CE2 4.05Å
333	F	86.9	Confident	83.3	Confident	25 Å²	25	25.7 Å²	25.7	11%	0.11	14%	0.144	C	C	.	.	H	α-helix	trans	-71.1	-35.3	-178.2	-71	-55.9	0	0	0	112.6	T71 F329 M336 A337 F706 F935	T71-F333 HydrophobicContact CG2-CD2 4.13Å; T71-F333 HydrophobicContact CG2-CE2 4.08Å; F329-F333 HydrophobicContact CB-CD2 4.28Å; F329-F333 HydrophobicContact CB-CE2 4.21Å; F329-F333 HydrophobicContact CD1-CE2 4.14Å; F329-F333 WeakPolarHBondContact O-CB 3.45Å; F329-F333 WeakPolarHBondContact O-CD2 3.33Å; F329-F333 PolarHBondContact O-N 3.19Å; F333-M336 HydrophobicContact CD1-CE 3.79Å; F333-M336 HydrophobicContact CE1-CE 4.22Å; F333-A337 VanDerWaalsContact O-CB 3.24Å; F333-A337 WeakPolarHBondContact O-CB 3.36Å; F333-A337 PolarHBondContact O-N 2.87Å; F333-F706 HydrophobicContact CE1-CZ 4.11Å; F333-F706 HydrophobicContact CE2-CE1 4.31Å; F333-F706 AromaticContact CE2-CZ 3.96Å; F333-F706 HydrophobicContact CE2-CZ 3.96Å; F333-F706 AromaticContact CZ-CE1 3.78Å; F333-F706 HydrophobicContact CZ-CE1 3.78Å; F333-F706 HydrophobicContact CZ-CE2 4.24Å; F333-F706 AromaticContact CZ-CZ 3.34Å; F333-F706 HydrophobicContact CZ-CZ 3.34Å; F333-F935 AromaticContact CE1-CE1 3.98Å; F333-F935 HydrophobicContact CE1-CE1 3.98Å; F333-F935 AromaticContact CE2-CE1 3.85Å; F333-F935 HydrophobicContact CE2-CE1 3.85Å; F333-F935 AromaticContact CE2-CZ 3.67Å; F333-F935 HydrophobicContact CE2-CZ 3.67Å; F333-F935 HydrophobicContact CZ-CD1 4.17Å; F333-F935 AromaticContact CZ-CE1 3.2Å; F333-F935 HydrophobicContact CZ-CE1 3.2Å; F333-F935 HydrophobicContact CZ-CE2 4.46Å; F333-F935 AromaticContact CZ-CZ 3.38Å; F333-F935 HydrophobicContact CZ-CZ 3.38Å
334	A	90.7	Very high	83.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-49.7	177	0	0	0	0	0	111.6	S68 G204 I207 T330 V331 A337 G338	S68-A334 WeakPolarHBondContact OG-CB 3.3Å; G204-A334 VanDerWaalsContact CA-O 3.24Å; G204-A334 WeakPolarHBondContact CA-O 3.33Å; G204-A334 CarbonylContact O-C 3.57Å; G204-A334 VanDerWaalsContact O-CB 3.32Å; G204-A334 WeakPolarHBondContact O-CB 3.29Å; I207-A334 HydrophobicContact CB-CB 4.1Å; I207-A334 HydrophobicContact CG2-CB 3.89Å; T330-A334 WeakPolarHBondContact O-CB 3.17Å; T330-A334 PolarHBondContact O-N 3.45Å; V331-A334 PolarHBondContact O-N 3.29Å; A334-A337 PolarHBondContact O-N 3.47Å; A334-G338 PolarHBondContact O-N 3.22Å
335	I	89.1	Confident	84.2	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-70.3	-36.8	-179.3	-64.1	174.2	0	0	0	111.2	F205 S216 M219 V331 G338 S339	F205-I335 HydrophobicContact CE1-CG2 3.89Å; F205-I335 HydrophobicContact CZ-CG2 3.98Å; S216-I335 VanDerWaalsContact CA-CD1 3.4Å; S216-I335 WeakPolarHBondContact OG-CD1 3.17Å; M219-I335 HydrophobicContact CB-CD1 3.92Å; M219-I335 HydrophobicContact CB-CG2 3.89Å; M219-I335 HydrophobicContact CG-CD1 4.4Å; V331-I335 HydrophobicContact CG1-CD1 3.65Å; V331-I335 HydrophobicContact CG1-CG1 4.44Å; V331-I335 WeakPolarHBondContact O-CB 3.45Å; V331-I335 WeakPolarHBondContact O-CG1 3.38Å; V331-I335 PolarHBondContact O-N 2.96Å; I335-G338 PolarHBondContact O-N 2.86Å; I335-S339 VanDerWaalsContact O-CB 3.27Å; I335-S339 WeakPolarHBondContact O-CB 3.49Å; I335-S339 PolarHBondContact O-N 3.36Å; I335-S339 PolarHBondContact O-OG 3.1Å
336	M	84.6	Confident	84.7	Confident	17 Å²	17	23.6 Å²	23.6	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-48.5	174.8	-174.4	-177	79.1	0	0	111.2	Y306 F332 F333 G338 S339 M340	Y306-M336 PolarHBondContact OH-SD 3.16Å; Y306-M336 VanDerWaalsContact OH-SD 3.4Å; F332-M336 HydrophobicContact CE1-SD 4.01Å; F332-M336 HydrophobicContact CZ-SD 4.33Å; F332-M336 WeakPolarHBondContact O-CB 3.37Å; F332-M336 PolarHBondContact O-N 2.91Å; F333-M336 HydrophobicContact CD1-CE 3.79Å; F333-M336 HydrophobicContact CE1-CE 4.22Å; M336-G338 VanDerWaalsContact C-N 3.35Å; M336-G338 PolarHBondContact O-N 3.42Å; M336-S339 PolarHBondContact O-N 2.99Å; M336-M340 HydrophobicContact CG-CE 3.88Å; M336-M340 HydrophobicContact CG-SD 4.34Å; M336-M340 WeakPolarHBondContact O-CB 3.46Å; M336-M340 WeakPolarHBondContact O-CG 3.43Å; M336-M340 PolarHBondContact O-N 3.47Å; M336-M340 HydrophobicContact SD-CE 4.11Å
337	A	85.3	Confident	84.7	Confident	22 Å²	22	27 Å²	27	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-45.5	176.4	0	0	0	0	0	111.3	W64 P65 F333 A334 M340 A341	W64-A337 HydrophobicContact CB-CB 4.41Å; P65-A337 HydrophobicContact CG-CB 4.37Å; F333-A337 VanDerWaalsContact O-CB 3.24Å; F333-A337 WeakPolarHBondContact O-CB 3.36Å; F333-A337 PolarHBondContact O-N 2.87Å; A334-A337 PolarHBondContact O-N 3.47Å; A337-M340 PolarHBondContact O-N 2.76Å; A337-A341 WeakPolarHBondContact O-CB 3.36Å; A337-A341 PolarHBondContact O-N 3.45Å
338	G	86.9	Confident	85	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-43.3	177.1	0	0	0	0	0	113.1	A200 F201 A334 I335 M336 A341 F342	A200-G338 WeakPolarHBondContact O-CA 3.29Å; F201-G338 WeakPolarHBondContact CD2-O 3.35Å; A334-G338 PolarHBondContact O-N 3.22Å; I335-G338 PolarHBondContact O-N 2.86Å; M336-G338 VanDerWaalsContact C-N 3.35Å; M336-G338 PolarHBondContact O-N 3.42Å; G338-A341 WeakPolarHBondContact O-CB 3.48Å; G338-A341 PolarHBondContact O-N 3.12Å; G338-F342 PolarHBondContact O-N 3.11Å; G338-F342 VanDerWaalsContact O-N 3.09Å
339	S	83.7	Confident	85	Confident	25 Å²	25	32.8 Å²	32.8	18%	0.175	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-39.8	179.1	-58	0	0	0	0	112.4	I335 M336 A341 F342 G343	I335-S339 VanDerWaalsContact O-CB 3.27Å; I335-S339 WeakPolarHBondContact O-CB 3.49Å; I335-S339 PolarHBondContact O-N 3.36Å; I335-S339 PolarHBondContact O-OG 3.1Å; M336-S339 PolarHBondContact O-N 2.99Å; S339-A341 VanDerWaalsContact C-N 3.35Å; S339-F342 PolarHBondContact O-N 3.19Å; S339-G343 PolarHBondContact O-N 3.45Å
340	M	80.2	Confident	85	Confident	95 Å²	95	36.3 Å²	36.3	47%	0.468	22%	0.22	S	C	.	.	H	α-helix	trans	-66.5	-37.6	174.5	-73.3	-175.9	177	0	0	112	M336 A337 F342 G343 S344	M336-M340 HydrophobicContact CG-CE 3.88Å; M336-M340 HydrophobicContact CG-SD 4.34Å; M336-M340 WeakPolarHBondContact O-CB 3.46Å; M336-M340 WeakPolarHBondContact O-CG 3.43Å; M336-M340 PolarHBondContact O-N 3.47Å; M336-M340 HydrophobicContact SD-CE 4.11Å; A337-M340 PolarHBondContact O-N 2.76Å; M340-F342 VanDerWaalsContact C-N 3.33Å; M340-F342 PolarHBondContact O-N 3.03Å; M340-G343 PolarHBondContact O-N 3.34Å; M340-S344 PolarHBondContact O-N 2.9Å; M340-S344 PolarHBondContact O-OG 3.21Å
341	A	85.9	Confident	84.8	Confident	6 Å²	6	37.9 Å²	37.9	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.9	0	0	0	0	0	111.6	Y197 A200 A337 G338 S339 G343 S344 A345	Y197-A341 WeakPolarHBondContact CB-O 3.32Å; Y197-A341 HydrophobicContact CD1-CB 4.02Å; Y197-A341 WeakPolarHBondContact O-CB 3.11Å; A200-A341 HydrophobicContact CB-CB 3.56Å; A337-A341 WeakPolarHBondContact O-CB 3.36Å; A337-A341 PolarHBondContact O-N 3.45Å; G338-A341 WeakPolarHBondContact O-CB 3.48Å; G338-A341 PolarHBondContact O-N 3.12Å; S339-A341 VanDerWaalsContact C-N 3.35Å; A341-G343 PolarHBondContact O-N 3.34Å; A341-S344 PolarHBondContact O-N 2.88Å; A341-S344 VanDerWaalsContact O-N 3.13Å; A341-A345 PolarHBondContact O-N 2.95Å
342	F	82.3	Confident	84.8	Confident	117 Å²	117	40.2 Å²	40.2	51%	0.513	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-46.8	174.1	-177.5	-95.1	0	0	0	112.5	F201 G338 S339 M340 S344 A345	F201-F342 HydrophobicContact CD2-CB 3.85Å; F201-F342 HydrophobicContact CD2-CD2 4.3Å; F201-F342 HydrophobicContact CD2-CG 4.46Å; F201-F342 HydrophobicContact CE2-CB 4.31Å; F201-F342 HydrophobicContact CE2-CD2 4.26Å; F201-F342 HydrophobicContact CG-CB 4.48Å; G338-F342 PolarHBondContact O-N 3.11Å; G338-F342 VanDerWaalsContact O-N 3.09Å; S339-F342 PolarHBondContact O-N 3.19Å; M340-F342 VanDerWaalsContact C-N 3.33Å; M340-F342 PolarHBondContact O-N 3.03Å; F342-S344 VanDerWaalsContact C-N 3.29Å; F342-S344 PolarHBondContact O-N 3.24Å; F342-A345 WeakPolarHBondContact O-CB 3.13Å; F342-A345 PolarHBondContact O-N 3.42Å
343	G	76.6	Confident	84.8	Confident	44 Å²	44	43 Å²	43	45%	0.454	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-36.1	175.8	0	0	0	0	0	113.3	S339 M340 A341	S339-G343 PolarHBondContact O-N 3.45Å; M340-G343 PolarHBondContact O-N 3.34Å; A341-G343 PolarHBondContact O-N 3.34Å
344	S	81.7	Confident	84.7	Confident	50 Å²	50	46.4 Å²	46.4	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-76.6	-21.1	-180	-54.3	0	0	0	0	113.4	M340 A341 F342 P347 H348	M340-S344 PolarHBondContact O-N 2.9Å; M340-S344 PolarHBondContact O-OG 3.21Å; A341-S344 PolarHBondContact O-N 2.88Å; A341-S344 VanDerWaalsContact O-N 3.13Å; F342-S344 VanDerWaalsContact C-N 3.29Å; F342-S344 PolarHBondContact O-N 3.24Å; S344-P347 WeakPolarHBondContact O-CD 3.41Å; S344-H348 PolarHBondContact O-CD2 2.77Å
345	A	85.2	Confident	84.7	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-71.1	-29.1	176.8	0	0	0	0	0	113.2	L194 A341 F342 H348 L349	L194-A345 HydrophobicContact CD1-CB 3.94Å; A341-A345 PolarHBondContact O-N 2.95Å; F342-A345 WeakPolarHBondContact O-CB 3.13Å; F342-A345 PolarHBondContact O-N 3.42Å; A345-H348 WeakPolarHBondContact O-CB 3.42Å; A345-H348 PolarHBondContact O-N 2.95Å; A345-L349 PolarHBondContact O-N 2.79Å
346	A	81.3	Confident	84.7	Confident	54 Å²	54	53 Å²	53	45%	0.446	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-45.7	-170.1	0	0	0	0	0	114.8	H348 L349 T350	A346-H348 VanDerWaalsContact C-N 3.26Å; A346-H348 PolarHBondContact O-N 3.47Å; A346-L349 WeakPolarHBondContact O-CB 3.47Å; A346-L349 PolarHBondContact O-N 3.02Å; A346-L349 VanDerWaalsContact O-N 3.16Å; A346-T350 PolarHBondContact O-N 3.28Å; A346-T350 VanDerWaalsContact O-N 3.15Å
347	P	79.5	Confident	84.7	Confident	74 Å²	74	54.2 Å²	54.2	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-35.8	176.9	-24.5	35.3	0	0	0	113.1	S344 T350 T351	S344-P347 WeakPolarHBondContact O-CD 3.41Å; P347-T350 PolarHBondContact O-N 2.9Å; P347-T350 PolarHBondContact O-OG1 2.99Å; P347-T351 PolarHBondContact O-N 3.17Å; P347-T351 PolarHBondContact O-OG1 3.42Å
348	H	88.4	Confident	84.9	Confident	28 Å²	28	53.6 Å²	53.6	13%	0.13	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-40.2	177.5	-59.5	-49.7	0	0	0	111.5	K190 L194 Y197 S344 A345 A346 T350 T351 I352	K190-H348 WeakPolarHBondContact CD-ND1 3.45Å; L194-H348 HydrophobicContact CB-CB 4.28Å; Y197-H348 AromaticContact CD2-CD2 3.79Å; Y197-H348 AromaticContact CE2-CD2 3.76Å; Y197-H348 AromaticContact CE2-NE2 3.51Å; S344-H348 PolarHBondContact O-CD2 2.77Å; A345-H348 WeakPolarHBondContact O-CB 3.42Å; A345-H348 PolarHBondContact O-N 2.95Å; A346-H348 VanDerWaalsContact C-N 3.26Å; A346-H348 PolarHBondContact O-N 3.47Å; H348-T350 VanDerWaalsContact C-N 3.32Å; H348-T350 PolarHBondContact O-N 2.92Å; H348-T351 PolarHBondContact O-N 2.81Å; H348-I352 WeakPolarHBondContact O-CD1 3.46Å; H348-I352 VanDerWaalsContact O-CG1 3.29Å; H348-I352 WeakPolarHBondContact O-CG1 3.33Å; H348-I352 PolarHBondContact O-N 3.49Å
349	L	85.6	Confident	85.1	Confident	108 Å²	108	54.1 Å²	54.1	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-42.4	174.8	-160	114.9	0	0	0	111.8	L194 A345 A346 I352 A353	L194-L349 HydrophobicContact CD1-CD1 4.37Å; L194-L349 HydrophobicContact CD2-CD1 4.38Å; A345-L349 PolarHBondContact O-N 2.79Å; A346-L349 WeakPolarHBondContact O-CB 3.47Å; A346-L349 PolarHBondContact O-N 3.02Å; A346-L349 VanDerWaalsContact O-N 3.16Å; L349-I352 PolarHBondContact O-N 2.99Å; L349-A353 WeakPolarHBondContact O-CB 3.17Å; L349-A353 PolarHBondContact O-N 3.17Å
350	T	83.4	Confident	85.3	Confident	81 Å²	81	56.3 Å²	56.3	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-65.7	-39.1	176.9	62.8	0	0	0	0	112.8	A346 P347 H348 A353 I354	A346-T350 PolarHBondContact O-N 3.28Å; A346-T350 VanDerWaalsContact O-N 3.15Å; P347-T350 PolarHBondContact O-N 2.9Å; P347-T350 PolarHBondContact O-OG1 2.99Å; H348-T350 VanDerWaalsContact C-N 3.32Å; H348-T350 PolarHBondContact O-N 2.92Å; T350-A353 PolarHBondContact O-N 2.94Å; T350-I354 WeakPolarHBondContact O-CG1 3.22Å; T350-I354 PolarHBondContact O-N 3.48Å
351	T	86.3	Confident	85.6	Confident	35 Å²	35	53.5 Å²	53.5	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-44.2	178.4	-51.9	0	0	0	0	110.7	E185 K190 P347 H348 A353 I354 A355	E185-T351 HydrophobicContact CB-CG2 4.27Å; K190-T351 HydrophobicContact CG-CG2 4.32Å; P347-T351 PolarHBondContact O-N 3.17Å; P347-T351 PolarHBondContact O-OG1 3.42Å; H348-T351 PolarHBondContact O-N 2.81Å; T351-A353 VanDerWaalsContact C-N 3.32Å; T351-A353 PolarHBondContact O-N 3Å; T351-I354 PolarHBondContact O-N 3.06Å; T351-A355 WeakPolarHBondContact O-CB 3.36Å; T351-A355 PolarHBondContact O-N 3.39Å
352	I	89.5	Confident	85.8	Confident	48 Å²	48	53.3 Å²	53.3	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-38.8	176.1	-66.1	162.4	0	0	0	111.1	V191 L194 H348 L349 A355 R356	V191-I352 HydrophobicContact CG2-CD1 4.07Å; V191-I352 HydrophobicContact CG2-CG1 4.27Å; L194-I352 HydrophobicContact CB-CD1 4.31Å; L194-I352 HydrophobicContact CD2-CD1 3.7Å; H348-I352 WeakPolarHBondContact O-CD1 3.46Å; H348-I352 VanDerWaalsContact O-CG1 3.29Å; H348-I352 WeakPolarHBondContact O-CG1 3.33Å; H348-I352 PolarHBondContact O-N 3.49Å; L349-I352 PolarHBondContact O-N 2.99Å; I352-A355 PolarHBondContact O-N 3.18Å; I352-R356 PolarHBondContact O-N 3.37Å
353	A	87.2	Confident	86.2	Confident	61 Å²	61	48.9 Å²	48.9	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-43.5	177.3	0	0	0	0	0	112.5	L349 T350 T351 R356 G357	L349-A353 WeakPolarHBondContact O-CB 3.17Å; L349-A353 PolarHBondContact O-N 3.17Å; T350-A353 PolarHBondContact O-N 2.94Å; T351-A353 VanDerWaalsContact C-N 3.32Å; T351-A353 PolarHBondContact O-N 3Å; A353-R356 PolarHBondContact O-N 2.95Å; A353-G357 PolarHBondContact O-N 3.28Å
354	I	85.9	Confident	86.8	Confident	97 Å²	97	49.2 Å²	49.2	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-46.3	174.9	-67.4	166	0	0	0	110	R182 T350 T351 R356 G357 S358	R182-I354 HydrophobicContact CG-CG2 4.44Å; T350-I354 WeakPolarHBondContact O-CG1 3.22Å; T350-I354 PolarHBondContact O-N 3.48Å; T351-I354 PolarHBondContact O-N 3.06Å; I354-R356 VanDerWaalsContact C-N 3.28Å; I354-R356 PolarHBondContact O-N 2.79Å; I354-G357 WeakPolarHBondContact O-CA 3.32Å; I354-G357 PolarHBondContact O-N 3Å; I354-S358 PolarHBondContact O-N 2.97Å
355	A	90.8	Very high	87.1	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-38.2	177.6	0	0	0	0	0	112.6	R182 T351 I352 G357 S358 A359	R182-A355 VanDerWaalsContact O-CB 3.23Å; R182-A355 WeakPolarHBondContact O-CB 3.46Å; T351-A355 WeakPolarHBondContact O-CB 3.36Å; T351-A355 PolarHBondContact O-N 3.39Å; I352-A355 PolarHBondContact O-N 3.18Å; A355-G357 VanDerWaalsContact C-N 3.32Å; A355-G357 PolarHBondContact O-N 3.16Å; A355-S358 PolarHBondContact O-N 3.24Å; A355-A359 WeakPolarHBondContact O-CB 3.2Å; A355-A359 PolarHBondContact O-N 2.96Å
356	R	88	Confident	87.4	Confident	135 Å²	135	47.3 Å²	47.3	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-37.4	174.6	-175.5	177.7	172.2	166	-0.4	112.2	I352 A353 I354 S360	I352-R356 PolarHBondContact O-N 3.37Å; A353-R356 PolarHBondContact O-N 2.95Å; I354-R356 VanDerWaalsContact C-N 3.28Å; I354-R356 PolarHBondContact O-N 2.79Å; R356-S360 PolarHBondContact O-N 2.8Å; R356-S360 VanDerWaalsContact O-N 3.08Å
357	G	86	Confident	87.8	Confident	43 Å²	43	48.4 Å²	48.4	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-45.3	175.1	0	0	0	0	0	112.8	A353 I354 A355 S360	A353-G357 PolarHBondContact O-N 3.28Å; I354-G357 WeakPolarHBondContact O-CA 3.32Å; I354-G357 PolarHBondContact O-N 3Å; A355-G357 VanDerWaalsContact C-N 3.32Å; A355-G357 PolarHBondContact O-N 3.16Å; G357-S360 PolarHBondContact O-N 3.46Å; G357-S360 PolarHBondContact O-OG 3.39Å
358	S	89.5	Confident	88.3	Confident	8 Å²	8	47.8 Å²	47.8	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-33.1	174.4	-68.5	0	0	0	0	112.4	D179 R182 I354 A355 S361 V362	D179-S358 WeakPolarHBondContact O-CB 3.41Å; D179-S358 PolarHBondContact OD1-OG 3.27Å; R182-S358 VanDerWaalsContact CD-OG 3.31Å; R182-S358 WeakPolarHBondContact CD-OG 2.99Å; I354-S358 PolarHBondContact O-N 2.97Å; A355-S358 PolarHBondContact O-N 3.24Å; S358-S361 PolarHBondContact O-OG 2.91Å; S358-V362 WeakPolarHBondContact O-CG2 3.39Å; S358-V362 PolarHBondContact O-N 3.39Å
359	A	90.6	Very high	88.3	Confident	12 Å²	12	55.6 Å²	55.6	10%	0.099	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-38	176	0	0	0	0	0	112	V183 A355 S361 V362 I363	V183-A359 HydrophobicContact CG2-CB 3.77Å; A355-A359 WeakPolarHBondContact O-CB 3.2Å; A355-A359 PolarHBondContact O-N 2.96Å; A359-S361 PolarHBondContact O-N 3.3Å; A359-V362 PolarHBondContact O-N 3.19Å; A359-I363 HydrophobicContact CB-CD1 4.26Å; A359-I363 VanDerWaalsContact O-CB 3.23Å; A359-I363 WeakPolarHBondContact O-CB 3.42Å; A359-I363 WeakPolarHBondContact O-CG1 3.35Å; A359-I363 PolarHBondContact O-N 3.01Å
360	S	87.4	Confident	88.6	Confident	70 Å²	70	51.9 Å²	51.9	49%	0.49	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-39.7	-178.5	68.7	0	0	0	0	112	R356 G357 A364	R356-S360 PolarHBondContact O-N 2.8Å; R356-S360 VanDerWaalsContact O-N 3.08Å; G357-S360 PolarHBondContact O-N 3.46Å; G357-S360 PolarHBondContact O-OG 3.39Å; S360-A364 WeakPolarHBondContact O-CB 3.42Å; S360-A364 PolarHBondContact O-N 2.87Å
361	S	86.3	Confident	88.8	Confident	36 Å²	36	52.4 Å²	52.4	25%	0.252	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-45	176.4	67.7	0	0	0	0	111.6	D179 S358 A359 L365	D179-S361 PolarHBondContact OD2-OG 3.44Å; S358-S361 PolarHBondContact O-OG 2.91Å; A359-S361 PolarHBondContact O-N 3.3Å; S361-L365 PolarHBondContact O-N 3.02Å; S361-L365 VanDerWaalsContact O-N 3.17Å
362	V	90.1	Very high	89	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-46.9	178.8	171.5	0	0	0	0	111.3	I148 F152 D179 I180 S358 A359 L365 I366	I148-V362 HydrophobicContact CG2-CG1 3.96Å; F152-V362 HydrophobicContact CD2-CG1 3.85Å; F152-V362 HydrophobicContact CE2-CG1 4.45Å; D179-V362 HydrophobicContact CB-CG2 4.15Å; I180-V362 HydrophobicContact CG1-CG1 4.27Å; I180-V362 HydrophobicContact CG1-CG2 4.09Å; S358-V362 WeakPolarHBondContact O-CG2 3.39Å; S358-V362 PolarHBondContact O-N 3.39Å; A359-V362 PolarHBondContact O-N 3.19Å; V362-L365 PolarHBondContact O-N 3.43Å; V362-I366 HydrophobicContact CG1-CD1 3.83Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 2.86Å
363	I	90.2	Very high	88.8	Confident	24 Å²	24	51.6 Å²	51.6	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-38.5	-179.8	-68.6	168.2	0	0	0	111.1	F41 A359 L365 I366 N367	F41-I363 HydrophobicContact CE2-CG1 4.31Å; A359-I363 HydrophobicContact CB-CD1 4.26Å; A359-I363 VanDerWaalsContact O-CB 3.23Å; A359-I363 WeakPolarHBondContact O-CB 3.42Å; A359-I363 WeakPolarHBondContact O-CG1 3.35Å; A359-I363 PolarHBondContact O-N 3.01Å; I363-L365 VanDerWaalsContact C-N 3.29Å; I363-L365 PolarHBondContact O-N 2.79Å; I363-I366 PolarHBondContact O-N 3.42Å; I363-N367 VanDerWaalsContact CG2-ND2 3.27Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.17Å; I363-N367 WeakPolarHBondContact O-CB 3.19Å; I363-N367 PolarHBondContact O-N 2.9Å; I363-N367 PolarHBondContact O-ND2 2.9Å
364	A	89	Confident	88.6	Confident	51 Å²	51	49.1 Å²	49.1	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-44	174.8	0	0	0	0	0	111	S360 N367 T368	S360-A364 WeakPolarHBondContact O-CB 3.42Å; S360-A364 PolarHBondContact O-N 2.87Å; A364-N367 PolarHBondContact O-N 3.31Å; A364-T368 PolarHBondContact O-N 3.5Å; A364-T368 PolarHBondContact O-OG1 2.97Å
365	L	89	Confident	88.4	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-44.4	175.2	-170.1	148.5	0	0	0	111.9	F152 V156 W163 L172 S361 V362 I363 N367 T368	F152-L365 HydrophobicContact CD2-CD2 4.01Å; F152-L365 HydrophobicContact CE2-CD1 4.16Å; F152-L365 HydrophobicContact CE2-CD2 3.79Å; F152-L365 HydrophobicContact CE2-CG 4.39Å; V156-L365 HydrophobicContact CG2-CD2 3.61Å; W163-L365 HydrophobicContact CH2-CD1 3.63Å; W163-L365 HydrophobicContact CZ2-CD1 3.54Å; W163-L365 HydrophobicContact CZ2-CG 4.3Å; L172-L365 HydrophobicContact CD2-CD1 4.05Å; S361-L365 PolarHBondContact O-N 3.02Å; S361-L365 VanDerWaalsContact O-N 3.17Å; V362-L365 PolarHBondContact O-N 3.43Å; I363-L365 VanDerWaalsContact C-N 3.29Å; I363-L365 PolarHBondContact O-N 2.79Å; L365-N367 VanDerWaalsContact C-N 3.27Å; L365-N367 PolarHBondContact O-N 3.22Å; L365-T368 WeakPolarHBondContact O-CB 3.31Å; L365-T368 PolarHBondContact O-N 3.18Å
366	I	90.6	Very high	88.2	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-39.5	178.9	-71.7	168.8	0	0	0	112	F41 Q151 F152 S155 V362 I363 T368	F41-I366 HydrophobicContact CE2-CD1 4.1Å; F41-I366 HydrophobicContact CZ-CD1 3.66Å; F41-I366 HydrophobicContact CZ-CG2 4.13Å; Q151-I366 HydrophobicContact CG-CD1 4.49Å; Q151-I366 HydrophobicContact CG-CG2 3.57Å; F152-I366 HydrophobicContact CB-CD1 4.13Å; F152-I366 HydrophobicContact CB-CG1 4.3Å; F152-I366 HydrophobicContact CD2-CG1 4.33Å; S155-I366 WeakPolarHBondContact OG-CA 3.49Å; S155-I366 PolarHBondContact OG-O 3.12Å; V362-I366 HydrophobicContact CG1-CD1 3.83Å; V362-I366 WeakPolarHBondContact O-CG1 3.45Å; V362-I366 PolarHBondContact O-N 2.86Å; I363-I366 PolarHBondContact O-N 3.42Å; I366-T368 VanDerWaalsContact C-N 3.33Å
367	N	90.3	Very high	88	Confident	76 Å²	76	52.3 Å²	52.3	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-84.5	-6.4	-178.2	-69.7	-21.2	0	0	0	113.6	I363 A364 L365 K369	I363-N367 VanDerWaalsContact CG2-ND2 3.27Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.17Å; I363-N367 WeakPolarHBondContact O-CB 3.19Å; I363-N367 PolarHBondContact O-N 2.9Å; I363-N367 PolarHBondContact O-ND2 2.9Å; A364-N367 PolarHBondContact O-N 3.31Å; L365-N367 VanDerWaalsContact C-N 3.27Å; L365-N367 PolarHBondContact O-N 3.22Å; N367-K369 PolarHBondContact O-N 2.94Å
368	T	89.8	Confident	88	Confident	61 Å²	61	57.1 Å²	57.1	37%	0.374	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65	126.7	175.4	-61.7	0	0	0	0	108.3	M159 A364 L365 I366	M159-T368 HydrophobicContact CE-CG2 4.35Å; M159-T368 WeakPolarHBondContact CE-O 3.3Å; M159-T368 HydrophobicContact SD-CG2 3.88Å; A364-T368 PolarHBondContact O-N 3.5Å; A364-T368 PolarHBondContact O-OG1 2.97Å; L365-T368 WeakPolarHBondContact O-CB 3.31Å; L365-T368 PolarHBondContact O-N 3.18Å; I366-T368 VanDerWaalsContact C-N 3.33Å
369	K	89.1	Confident	87.9	Confident	193 Å²	193	58.8 Å²	58.8	84%	0.839	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-95.4	118.9	173	-66.7	-175.1	-179.8	-178.5	0	108.2	N367	N367-K369 PolarHBondContact O-N 2.94Å
370	P	91	Very high	87.8	Confident	29 Å²	29	61 Å²	61	19%	0.188	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.1	147.9	176.7	29.6	-34.1	0	0	0	110.1	H158 M159 D373	H158-P370 WeakPolarHBondContact O-CB 3.43Å; H158-P370 WeakPolarHBondContact O-CG 3.48Å; M159-P370 HydrophobicContact CE-CG 4.48Å; P370-D373 HydrophobicContact CG-CB 3.96Å
371	S	87.5	Confident	87.9	Confident	93 Å²	93	62.6 Å²	62.6	65%	0.65	34%	0.344	S	S	*	.	S	Bend	trans	-73.1	-34.5	175.4	72.9	0	0	0	0	111.3	E160	E160-S371 VanDerWaalsContact OE2-CB 3.27Å; E160-S371 WeakPolarHBondContact OE2-CB 3.39Å; E160-S371 PolarHBondContact OE2-N 3.38Å; E160-S371 PolarHBondContact OE2-OG 3.49Å
372	I	90.4	Very high	87.5	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.056	34%	0.344	C	S	.	.	S	Bend	trans	-109.1	96.8	172.8	-55.3	169.9	0	0	0	108.2	R439 V460	I372-R439 HydrophobicContact CD1-CG 4.39Å; I372-V460 HydrophobicContact CG2-CG1 4.5Å; I372-V460 HydrophobicContact CG2-CG2 3.87Å
373	D	85.1	Confident	87	Confident	54 Å²	54	70.5 Å²	70.5	29%	0.289	39%	0.386	S	S	.	.			trans	-93.7	108.3	-177.9	-174	1.6	0	0	0	111.8	P370 S375 S376	P370-D373 HydrophobicContact CG-CB 3.96Å; D373-S375 VanDerWaalsContact C-N 3.26Å; D373-S375 VanDerWaalsContact CG-OG 3.29Å; D373-S375 PolarHBondContact O-N 3.17Å; D373-S375 WeakPolarHBondContact OD1-CA 3.02Å; D373-S375 VanDerWaalsContact OD1-CB 3.29Å; D373-S375 WeakPolarHBondContact OD1-CB 3.31Å; D373-S375 PolarHBondContact OD1-N 3.18Å; D373-S375 PolarHBondContact OD1-OG 2.97Å; D373-S375 PolarHBondContact OD2-OG 3.39Å; D373-S376 PolarHBondContact O-N 2.89Å
374	S	84.4	Confident	86.7	Confident	9 Å²	9	76.8 Å²	76.8	6%	0.063	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.2	175	63.5	0	0	0	0	114	H158 E861	H158-S374 PolarHBondContact CD2-OG 3.05Å; S374-E861 WeakPolarHBondContact CB-OE1 3.33Å; S374-E861 PolarHBondContact OG-OE1 3.38Å
375	S	82.1	Confident	86.6	Confident	59 Å²	59	75.2 Å²	75.2	41%	0.413	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-16.8	176.3	76.7	0	0	0	0	113.9	H158 D373	H158-S375 WeakPolarHBondContact CD2-CB 3.21Å; D373-S375 VanDerWaalsContact C-N 3.26Å; D373-S375 VanDerWaalsContact CG-OG 3.29Å; D373-S375 PolarHBondContact O-N 3.17Å; D373-S375 WeakPolarHBondContact OD1-CA 3.02Å; D373-S375 VanDerWaalsContact OD1-CB 3.29Å; D373-S375 WeakPolarHBondContact OD1-CB 3.31Å; D373-S375 PolarHBondContact OD1-N 3.18Å; D373-S375 PolarHBondContact OD1-OG 2.97Å; D373-S375 PolarHBondContact OD2-OG 3.39Å
376	S	86	Confident	86.6	Confident	35 Å²	35	82 Å²	82	25%	0.245	44%	0.436	C	S	.	.			trans	-65.3	140.9	-177.6	-176.4	0	0	0	0	110.9	D373 L378 N459	D373-S376 PolarHBondContact O-N 2.89Å; S376-L378 WeakPolarHBondContact OG-CB 3.13Å; S376-L378 PolarHBondContact OG-N 2.97Å; S376-L378 VanDerWaalsContact OG-N 3.15Å; S376-N459 PolarHBondContact O-ND2 3.07Å
377	R	83.9	Confident	86.7	Confident	211 Å²	211	81.3 Å²	81.3	80%	0.796	43%	0.433	S	S	*	.			trans	-93.4	0.9	170.5	-63.5	-171.9	-178.3	-174.9	0.4	112.9
378	L	84.7	Confident	86.9	Confident	143 Å²	143	80.1 Å²	80.1	75%	0.749	42%	0.424	S	S	*	.			trans	-81.2	153.5	179.8	-60.5	168.9	0	0	0	109.8	S376 N459	S376-L378 WeakPolarHBondContact OG-CB 3.13Å; S376-L378 PolarHBondContact OG-N 2.97Å; S376-L378 VanDerWaalsContact OG-N 3.15Å; L378-N459 PolarHBondContact O-ND2 2.89Å
379	G	87.6	Confident	87.2	Confident	44 Å²	44	77.2 Å²	77.2	45%	0.454	41%	0.407	S	S	.	.	S	Bend	trans	110.4	172.7	179.4	0	0	0	0	0	113.4	V457	G379-V457 CarbonylContact C-O 3.56Å; G379-V457 VanDerWaalsContact CA-O 3.22Å; G379-V457 WeakPolarHBondContact CA-O 3.24Å
380	L	90	Very high	87.6	Confident	58 Å²	58	70.2 Å²	70.2	30%	0.304	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-72.5	135.5	-178.9	-166.6	81.2	0	0	0	111.2	F453 V457 F458 N459	L380-F453 HydrophobicContact CD2-CB 4.24Å; L380-F453 HydrophobicContact CD2-CD1 3.8Å; L380-F453 HydrophobicContact CD2-CD2 4.08Å; L380-F453 HydrophobicContact CD2-CE1 4.15Å; L380-F453 HydrophobicContact CD2-CE2 4.41Å; L380-F453 HydrophobicContact CD2-CG 3.76Å; L380-F453 HydrophobicContact CD2-CZ 4.44Å; L380-V457 PolarHBondContact N-O 3.45Å; L380-F458 HydrophobicContact CB-CD1 4.46Å; L380-F458 HydrophobicContact CD2-CD1 4.35Å; L380-F458 HydrophobicContact CD2-CE1 3.99Å; L380-F458 HydrophobicContact CD2-CZ 4.34Å; L380-N459 PolarHBondContact O-N 3.48Å
381	H	87.9	Confident	87.8	Confident	104 Å²	104	69 Å²	69	48%	0.481	37%	0.369	S	S	.	.			trans	-114.4	93.8	168.2	-73.4	-93.7	0	0	0	108.5	N459 A462	H381-N459 WeakPolarHBondContact NE2-CB 3.28Å; H381-A462 WeakPolarHBondContact ND1-CB 3.29Å
382	P	79.7	Confident	88.2	Confident	39 Å²	39	68.4 Å²	68.4	25%	0.253	36%	0.355	S	S	.	.			trans	-68.4	132.7	178.6	32.6	-40.4	0	0	0	110.6	V385 F458 M466	P382-V385 HydrophobicContact CB-CG2 3.69Å; P382-V385 HydrophobicContact CG-CG2 3.5Å; P382-F458 HydrophobicContact CB-CE1 4.33Å; P382-F458 HydrophobicContact CG-CD1 4.19Å; P382-F458 HydrophobicContact CG-CE1 3.72Å; P382-M466 HydrophobicContact CG-SD 4.09Å
383	N	78.3	Confident	88.5	Confident	165 Å²	165	72.7 Å²	72.7	88%	0.882	38%	0.378	S	S	*	.	S	Bend	trans	-82.5	-38.1	178	-70	-21.7	0	0	0	112.3
384	N	84.4	Confident	89	Confident	155 Å²	155	70.1 Å²	70.1	83%	0.829	37%	0.365	S	S	*	.			trans	-123.1	118.5	175.5	-96	-4.3	0	0	0	108.6
385	V	86.2	Confident	89.5	Confident	18 Å²	18	70.5 Å²	70.5	11%	0.109	37%	0.367	C	S	.	.			trans	-113.6	122.2	175.9	177.5	0	0	0	0	106.9	P382 I450 D451 M466 K547	P382-V385 HydrophobicContact CB-CG2 3.69Å; P382-V385 HydrophobicContact CG-CG2 3.5Å; V385-I450 HydrophobicContact CG1-CG2 4.49Å; V385-D451 WeakPolarHBondContact CA-OD2 3.37Å; V385-D451 VanDerWaalsContact CG1-OD2 3.25Å; V385-D451 WeakPolarHBondContact CG1-OD2 3.39Å; V385-M466 HydrophobicContact CG1-CE 3.63Å; V385-M466 HydrophobicContact CG1-SD 4.23Å; V385-M466 HydrophobicContact CG2-CE 4.19Å; V385-M466 HydrophobicContact CG2-SD 3.76Å; V385-K547 HydrophobicContact CB-CG 4.42Å; V385-K547 HydrophobicContact CG1-CB 4.29Å
386	E	90.2	Very high	90.1	Very high	151 Å²	151	67.9 Å²	67.9	71%	0.706	35%	0.348	S	S	*	.			trans	-84.8	-36.3	176.5	-65.7	-172.9	173.7	0	0	110.4	A416 D451	E386-A416 HydrophobicContact CB-CB 4.01Å; E386-A416 WeakPolarHBondContact O-CB 3.29Å; E386-D451 PolarHBondContact N-OD2 2.95Å
387	G	91.5	Very high	90.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.344	C	S	.	.			trans	99.9	28	176.2	0	0	0	0	0	113.6	D451 T578	G387-D451 PolarHBondContact N-OD1 3.48Å; G387-D451 PolarHBondContact N-OD2 3.39Å; G387-T578 VanDerWaalsContact O-CB 3.31Å; G387-T578 WeakPolarHBondContact O-CB 3.39Å; G387-T578 VanDerWaalsContact O-CG2 3.25Å; G387-T578 WeakPolarHBondContact O-CG2 3.25Å; G387-T578 PolarHBondContact O-OG1 3.24Å
388	H	95.5	Very high	90.8	Very high	50 Å²	50	60.3 Å²	60.3	23%	0.231	32%	0.318	C	S	.	.			trans	-76.9	127.9	169.9	-176.8	74.8	0	0	0	110	E390 V413 I414 I450 D451	H388-E390 IonicContact CD2-OE1 3.48Å; H388-E390 PolarHBondContact CD2-OE1 3.11Å; H388-E390 IonicContact CE1-OE1 3.49Å; H388-E390 WeakPolarHBondContact NE2-CG 3.28Å; H388-E390 IonicContact NE2-OE1 3.5Å; H388-E390 PolarHBondContact NE2-OE1 3.45Å; H388-V413 WeakPolarHBondContact CE1-CG1 3.25Å; H388-I414 WeakPolarHBondContact CA-O 3.23Å; H388-I414 PolarHBondContact ND1-O 3.1Å; H388-I450 CarbonylContact O-C 3.49Å; H388-I450 VanDerWaalsContact O-CA 3.32Å; H388-I450 WeakPolarHBondContact O-CA 3.41Å; H388-D451 WeakPolarHBondContact CB-OD1 3.2Å; H388-D451 PolarHBondContact N-OD1 3.22Å; H388-D451 PolarHBondContact O-N 3.09Å
389	V	96.2	Very high	90.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.5	-173.7	-178.9	0	0	0	0	110.7	F391 V413 I414 L437 Y449 I450 I548	V389-F391 HydrophobicContact CG1-CD2 4.25Å; V389-F391 HydrophobicContact CG1-CE2 3.98Å; V389-V413 CarbonylContact O-C 3.59Å; V389-V413 WeakPolarHBondContact O-CA 3.35Å; V389-I414 HydrophobicContact CB-CB 4.25Å; V389-I414 HydrophobicContact CB-CD1 4.11Å; V389-I414 HydrophobicContact CG1-CD1 4.31Å; V389-I414 PolarHBondContact N-O 3.37Å; V389-I414 PolarHBondContact O-N 3.46Å; V389-L437 HydrophobicContact CG1-CD2 3.75Å; V389-Y449 WeakPolarHBondContact CA-O 3.27Å; V389-I450 HydrophobicContact CG2-CG1 4.42Å; V389-I548 HydrophobicContact CG2-CD1 3.91Å
390	E	96.6	Very high	90.7	Very high	47 Å²	47	58 Å²	58	22%	0.22	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.8	-179.9	-51.7	-174.7	171	0	0	112.1	H388 H392 V413 I448 Y449	H388-E390 IonicContact CD2-OE1 3.48Å; H388-E390 PolarHBondContact CD2-OE1 3.11Å; H388-E390 IonicContact CE1-OE1 3.49Å; H388-E390 WeakPolarHBondContact NE2-CG 3.28Å; H388-E390 IonicContact NE2-OE1 3.5Å; H388-E390 PolarHBondContact NE2-OE1 3.45Å; E390-H392 IonicContact OE2-CD2 3.8Å; E390-H392 IonicContact OE2-CE1 3.01Å; E390-H392 IonicContact OE2-NE2 2.65Å; E390-H392 PolarHBondContact OE2-NE2 2.9Å; E390-V413 HydrophobicContact CB-CG2 4.38Å; E390-V413 HydrophobicContact CG-CG1 4.15Å; E390-V413 HydrophobicContact CG-CG2 4.12Å; E390-I448 CarbonylContact O-C 3.49Å; E390-I448 VanDerWaalsContact O-CA 3.28Å; E390-I448 WeakPolarHBondContact O-CA 3.34Å; E390-I448 WeakPolarHBondContact O-CG2 3.27Å; E390-Y449 PolarHBondContact N-O 2.98Å; E390-Y449 PolarHBondContact O-N 3.19Å
391	F	96.7	Very high	90.6	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125	168.9	-80.6	-114	0	0	0	108.8	V389 V394 L410 S411 F412 V433 L437 I448	V389-F391 HydrophobicContact CG1-CD2 4.25Å; V389-F391 HydrophobicContact CG1-CE2 3.98Å; F391-V394 HydrophobicContact CB-CG2 4.16Å; F391-V394 HydrophobicContact CD1-CB 4.04Å; F391-V394 HydrophobicContact CD1-CG1 4.31Å; F391-V394 HydrophobicContact CD1-CG2 3.68Å; F391-V394 HydrophobicContact CG-CG2 4.29Å; F391-L410 HydrophobicContact CD1-CD2 4.35Å; F391-S411 WeakPolarHBondContact O-CA 3.38Å; F391-F412 HydrophobicContact CB-CD1 3.96Å; F391-F412 HydrophobicContact CB-CE1 3.86Å; F391-F412 HydrophobicContact CB-CG 4.49Å; F391-F412 HydrophobicContact CB-CZ 4.31Å; F391-F412 AromaticContact CD1-CE1 3.97Å; F391-F412 HydrophobicContact CD1-CE1 3.97Å; F391-F412 HydrophobicContact CD1-CZ 4.2Å; F391-F412 AromaticContact CD2-CE1 3.88Å; F391-F412 HydrophobicContact CD2-CE1 3.88Å; F391-F412 AromaticContact CD2-CE2 3.85Å; F391-F412 HydrophobicContact CD2-CE2 3.85Å; F391-F412 AromaticContact CD2-CZ 3.46Å; F391-F412 HydrophobicContact CD2-CZ 3.46Å; F391-F412 VanDerWaalsContact CD2-CZ 3.46Å; F391-F412 HydrophobicContact CE1-CZ 4.44Å; F391-F412 HydrophobicContact CE2-CE1 4.44Å; F391-F412 HydrophobicContact CE2-CE2 4.23Å; F391-F412 AromaticContact CE2-CZ 3.74Å; F391-F412 HydrophobicContact CE2-CZ 3.74Å; F391-F412 HydrophobicContact CG-CD1 4.25Å; F391-F412 AromaticContact CG-CE1 3.63Å; F391-F412 HydrophobicContact CG-CE1 3.63Å; F391-F412 HydrophobicContact CG-CE2 4.41Å; F391-F412 AromaticContact CG-CZ 3.73Å; F391-F412 HydrophobicContact CG-CZ 3.73Å; F391-F412 HydrophobicContact CZ-CZ 4.23Å; F391-F412 PolarHBondContact N-O 2.98Å; F391-F412 PolarHBondContact O-N 3.28Å; F391-F412 VanDerWaalsContact O-N 3.17Å; F391-V433 HydrophobicContact CE1-CG1 4.14Å; F391-V433 HydrophobicContact CE2-CG1 4.28Å; F391-V433 HydrophobicContact CZ-CG1 3.65Å; F391-L437 HydrophobicContact CE2-CD1 4.23Å; F391-L437 HydrophobicContact CE2-CD2 4Å; F391-L437 HydrophobicContact CE2-CG 4.11Å; F391-L437 HydrophobicContact CZ-CD1 4.23Å; F391-L437 HydrophobicContact CZ-CD2 4.19Å; F391-L437 HydrophobicContact CZ-CG 3.91Å; F391-I448 HydrophobicContact CD1-CD1 4.07Å; F391-I448 HydrophobicContact CD1-CG1 3.88Å; F391-I448 HydrophobicContact CD2-CG2 4.07Å; F391-I448 HydrophobicContact CE1-CD1 3.47Å; F391-I448 VanDerWaalsContact CE1-CD1 3.47Å; F391-I448 HydrophobicContact CE1-CG1 3.79Å; F391-I448 HydrophobicContact CE2-CG2 3.82Å; F391-I448 HydrophobicContact CG-CG1 4.28Å; F391-I448 HydrophobicContact CZ-CD1 3.74Å; F391-I448 HydrophobicContact CZ-CG1 4.12Å; F391-I448 HydrophobicContact CZ-CG2 4.05Å
392	H	95.8	Very high	90.5	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.375	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	104.8	179.2	-71.7	-81.6	0	0	0	111.3	E390 V394 G446 A447 Y449	E390-H392 IonicContact OE2-CD2 3.8Å; E390-H392 IonicContact OE2-CE1 3.01Å; E390-H392 IonicContact OE2-NE2 2.65Å; E390-H392 PolarHBondContact OE2-NE2 2.9Å; H392-V394 PolarHBondContact O-N 3.18Å; H392-G446 WeakPolarHBondContact O-CA 3.38Å; H392-A447 PolarHBondContact N-O 3.17Å; H392-A447 PolarHBondContact O-N 3.37Å; H392-A447 VanDerWaalsContact O-N 3.08Å; H392-Y449 AromaticContact CD2-CD2 3.54Å; H392-Y449 AromaticContact CD2-CE2 3.64Å
393	N	95.1	Very high	90.8	Very high	101 Å²	101	68.3 Å²	68.3	54%	0.54	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.1	43.7	176.6	-69.2	-25.5	0	0	0	113.2	T395 L410 S411 G446	N393-T395 PolarHBondContact O-N 3.27Å; N393-L410 PolarHBondContact N-O 3.15Å; N393-S411 WeakPolarHBondContact CA-OG 3.19Å; N393-S411 PolarHBondContact N-OG 3.46Å; N393-S411 PolarHBondContact OD1-OG 2.96Å; N393-G446 WeakPolarHBondContact O-CA 3.34Å
394	V	95.9	Very high	91.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.8	-173.2	176.1	0	0	0	0	110.6	F391 H392 S409 L410 L436 C443 K445 I448	F391-V394 HydrophobicContact CB-CG2 4.16Å; F391-V394 HydrophobicContact CD1-CB 4.04Å; F391-V394 HydrophobicContact CD1-CG1 4.31Å; F391-V394 HydrophobicContact CD1-CG2 3.68Å; F391-V394 HydrophobicContact CG-CG2 4.29Å; H392-V394 PolarHBondContact O-N 3.18Å; V394-S409 CarbonylContact O-C 3.28Å; V394-S409 WeakPolarHBondContact O-CA 3.34Å; V394-S409 PolarHBondContact O-N 2.93Å; V394-S409 VanDerWaalsContact O-N 3.15Å; V394-L410 HydrophobicContact CB-CB 4.37Å; V394-L410 PolarHBondContact N-O 3.49Å; V394-L410 PolarHBondContact O-N 2.85Å; V394-L436 HydrophobicContact CG1-CD1 4Å; V394-C443 HydrophobicContact CG1-CB 3.85Å; V394-K445 WeakPolarHBondContact CA-O 3.43Å; V394-I448 HydrophobicContact CG2-CG1 3.79Å
395	T	95.3	Very high	91.4	Very high	18 Å²	18	63 Å²	63	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134	175	-68.6	0	0	0	0	109.1	N393 Q405 L407 S409 T444 K445	N393-T395 PolarHBondContact O-N 3.27Å; T395-Q405 HydrophobicContact CG2-CG 4.15Å; T395-L407 WeakPolarHBondContact CA-O 3.47Å; T395-S409 PolarHBondContact OG1-N 3.27Å; T395-T444 WeakPolarHBondContact O-CB 3.34Å; T395-T444 PolarHBondContact O-N 2.99Å; T395-T444 PolarHBondContact O-OG1 3.05Å; T395-K445 PolarHBondContact N-O 3.06Å; T395-K445 PolarHBondContact O-N 3.3Å
396	F	95.6	Very high	91.8	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141	-177.7	-177	-101.9	0	0	0	113.2	Y398 V406 L407 T432 L436 Y441 T444	F396-Y398 AromaticContact CE1-CD1 3.73Å; F396-Y398 HydrophobicContact CE1-CD1 3.73Å; F396-Y398 AromaticContact CE1-CD2 3.91Å; F396-Y398 HydrophobicContact CE1-CD2 3.91Å; F396-Y398 AromaticContact CE1-CE1 3.8Å; F396-Y398 HydrophobicContact CE1-CE1 3.8Å; F396-Y398 AromaticContact CE1-CE2 3.95Å; F396-Y398 HydrophobicContact CE1-CE2 3.95Å; F396-Y398 AromaticContact CE1-CG 3.78Å; F396-Y398 HydrophobicContact CE1-CG 3.78Å; F396-Y398 AromaticContact CE1-CZ 3.9Å; F396-Y398 AromaticContact CZ-CD1 3.98Å; F396-Y398 HydrophobicContact CZ-CD1 3.98Å; F396-Y398 HydrophobicContact CZ-CE1 4.21Å; F396-Y398 HydrophobicContact CZ-CG 4.3Å; F396-V406 PolarHBondContact O-N 3.46Å; F396-L407 HydrophobicContact CB-CB 4.18Å; F396-L407 HydrophobicContact CB-CD1 4.3Å; F396-L407 HydrophobicContact CB-CG 4.46Å; F396-L407 PolarHBondContact N-O 3.39Å; F396-L407 VanDerWaalsContact N-O 3.12Å; F396-L407 PolarHBondContact O-N 3.48Å; F396-L407 VanDerWaalsContact O-N 3.1Å; F396-T432 HydrophobicContact CD1-CG2 3.33Å; F396-T432 HydrophobicContact CE1-CG2 3.71Å; F396-T432 HydrophobicContact CG-CG2 4.19Å; F396-L436 HydrophobicContact CB-CD1 4.24Å; F396-L436 HydrophobicContact CD2-CD2 3.87Å; F396-L436 HydrophobicContact CE2-CD2 4.1Å; F396-L436 HydrophobicContact CG-CD1 4.37Å; F396-L436 HydrophobicContact CG-CD2 4.25Å; F396-Y441 HydrophobicContact CE2-CG 4.08Å; F396-Y441 HydrophobicContact CZ-CD1 4.01Å; F396-Y441 HydrophobicContact CZ-CD2 4.09Å; F396-Y441 AromaticContact CZ-CG 3.65Å; F396-Y441 HydrophobicContact CZ-CG 3.65Å; F396-T444 WeakPolarHBondContact CA-OG1 3.22Å
397	S	92.9	Very high	92	Very high	24 Å²	24	55.7 Å²	55.7	17%	0.168	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.3	168.7	-52.5	0	0	0	0	108.7	P402 Q405 T444	S397-P402 PolarHBondContact OG-O 3.09Å; S397-Q405 WeakPolarHBondContact OG-CA 3.24Å; S397-T444 PolarHBondContact N-OG1 3.29Å
398	Y	91.1	Very high	92.1	Very high	62 Å²	62	59.6 Å²	59.6	24%	0.243	29%	0.287	C	S	.	.			trans	-68.1	140.9	175.5	-77	-81.1	0	0	0	111	F396 L400 R401 V406 T432 Y441	F396-Y398 AromaticContact CE1-CD1 3.73Å; F396-Y398 HydrophobicContact CE1-CD1 3.73Å; F396-Y398 AromaticContact CE1-CD2 3.91Å; F396-Y398 HydrophobicContact CE1-CD2 3.91Å; F396-Y398 AromaticContact CE1-CE1 3.8Å; F396-Y398 HydrophobicContact CE1-CE1 3.8Å; F396-Y398 AromaticContact CE1-CE2 3.95Å; F396-Y398 HydrophobicContact CE1-CE2 3.95Å; F396-Y398 AromaticContact CE1-CG 3.78Å; F396-Y398 HydrophobicContact CE1-CG 3.78Å; F396-Y398 AromaticContact CE1-CZ 3.9Å; F396-Y398 AromaticContact CZ-CD1 3.98Å; F396-Y398 HydrophobicContact CZ-CD1 3.98Å; F396-Y398 HydrophobicContact CZ-CE1 4.21Å; F396-Y398 HydrophobicContact CZ-CG 4.3Å; Y398-L400 PolarHBondContact O-N 3.03Å; Y398-R401 CarbonylContact O-C 3.52Å; Y398-R401 VanDerWaalsContact O-C 3.28Å; Y398-R401 PolarHBondContact O-N 2.81Å; Y398-V406 HydrophobicContact CD2-CG2 3.82Å; Y398-V406 HydrophobicContact CE2-CG2 4.11Å; Y398-T432 HydrophobicContact CE2-CG2 4.35Å; Y398-T432 PolarHBondContact OH-OG1 3.46Å; Y398-Y441 HydrophobicContact CD1-CE1 4.07Å; Y398-Y441 HydrophobicContact CD1-CE2 4.27Å; Y398-Y441 AromaticContact CD1-CZ 3.84Å; Y398-Y441 HydrophobicContact CE1-CD2 4.3Å; Y398-Y441 HydrophobicContact CE1-CE1 4.27Å; Y398-Y441 AromaticContact CE1-CE2 3.64Å; Y398-Y441 HydrophobicContact CE1-CE2 3.64Å; Y398-Y441 AromaticContact CE1-CZ 3.6Å
399	P	86.5	Confident	91.9	Very high	44 Å²	44	60.7 Å²	60.7	29%	0.286	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.3	-174.5	-25.4	35.6	0	0	0	116.4	R166	R166-P399 PolarHBondContact NH2-O 3.01Å; R166-P399 VanDerWaalsContact NH2-O 3.16Å
400	L	84.2	Confident	91.8	Very high	94 Å²	94	60.8 Å²	60.8	49%	0.492	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.2	174.1	-93.4	116.1	0	0	0	113.6	D165 R166 Y398	D165-L400 VanDerWaalsContact C-CD1 3.45Å; D165-L400 HydrophobicContact CB-CD1 3.28Å; D165-L400 WeakPolarHBondContact O-CD1 3.33Å; R166-L400 HydrophobicContact CG-CD1 3.86Å; R166-L400 HydrophobicContact CG-CG 4.04Å; Y398-L400 PolarHBondContact O-N 3.03Å
401	R	86.5	Confident	91.7	Very high	179 Å²	179	61.1 Å²	61.1	68%	0.675	31%	0.308	S	S	*	.			trans	-139.5	66.7	-178.8	-66	-175.4	-177.7	172.9	0.3	109.2	Y398 E403 F404	Y398-R401 CarbonylContact O-C 3.52Å; Y398-R401 VanDerWaalsContact O-C 3.28Å; Y398-R401 PolarHBondContact O-N 2.81Å; R401-E403 WeakPolarHBondContact CA-OE1 3.3Å; R401-E403 PolarHBondContact O-N 3.36Å; R401-F404 HydrophobicContact CB-CB 4.35Å; R401-F404 PolarHBondContact O-N 3.42Å
402	P	85.5	Confident	91.6	Very high	82 Å²	82	61.6 Å²	61.6	53%	0.532	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.3	-173.9	25.4	-32.9	0	0	0	112.5	S397 F404	S397-P402 PolarHBondContact OG-O 3.09Å; P402-F404 PolarHBondContact O-N 2.96Å
403	E	87	Confident	91.5	Very high	157 Å²	157	61 Å²	61	73%	0.734	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.8	173.6	54.1	-78.8	161.9	0	0	114.2	R401 Q405	R401-E403 WeakPolarHBondContact CA-OE1 3.3Å; R401-E403 PolarHBondContact O-N 3.36Å; E403-Q405 PolarHBondContact O-N 3.13Å
404	F	86.6	Confident	91.5	Very high	133 Å²	133	56.2 Å²	56.2	58%	0.583	29%	0.286	S	S	*	.	S	Bend	trans	-97	100	-179.7	-163.9	-93.9	0	0	0	111	R401 P402 V406	R401-F404 HydrophobicContact CB-CB 4.35Å; R401-F404 PolarHBondContact O-N 3.42Å; P402-F404 PolarHBondContact O-N 2.96Å; F404-V406 HydrophobicContact CD1-CG2 4.02Å; F404-V406 HydrophobicContact CE1-CG2 4.39Å; F404-V406 PolarHBondContact O-N 2.88Å
405	Q	89.4	Confident	91.5	Very high	76 Å²	76	58.4 Å²	58.4	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	112.1	177.7	-168.3	-179.3	-12.1	0	0	111	T395 S397 E403 L407 K408	T395-Q405 HydrophobicContact CG2-CG 4.15Å; S397-Q405 WeakPolarHBondContact OG-CA 3.24Å; E403-Q405 PolarHBondContact O-N 3.13Å; Q405-L407 WeakPolarHBondContact CG-O 3.23Å; Q405-L407 PolarHBondContact NE2-O 3.34Å; Q405-L407 VanDerWaalsContact NE2-O 3.15Å; Q405-K408 HydrophobicContact CG-CG 4.02Å
406	V	92.9	Very high	91.4	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-42.7	-175.9	179.8	0	0	0	0	111.8	F396 Y398 F404 T432 G601	F396-V406 PolarHBondContact O-N 3.46Å; Y398-V406 HydrophobicContact CD2-CG2 3.82Å; Y398-V406 HydrophobicContact CE2-CG2 4.11Å; F404-V406 HydrophobicContact CD1-CG2 4.02Å; F404-V406 HydrophobicContact CE1-CG2 4.39Å; F404-V406 PolarHBondContact O-N 2.88Å; V406-T432 HydrophobicContact CG1-CG2 4.46Å; V406-G601 WeakPolarHBondContact O-CA 3.26Å
407	L	94.4	Very high	91.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.2	175.8	-62.8	179.1	0	0	0	110.3	T395 F396 Q405 L410 T432 L436 L598	T395-L407 WeakPolarHBondContact CA-O 3.47Å; F396-L407 HydrophobicContact CB-CB 4.18Å; F396-L407 HydrophobicContact CB-CD1 4.3Å; F396-L407 HydrophobicContact CB-CG 4.46Å; F396-L407 PolarHBondContact N-O 3.39Å; F396-L407 VanDerWaalsContact N-O 3.12Å; F396-L407 PolarHBondContact O-N 3.48Å; F396-L407 VanDerWaalsContact O-N 3.1Å; Q405-L407 WeakPolarHBondContact CG-O 3.23Å; Q405-L407 PolarHBondContact NE2-O 3.34Å; Q405-L407 VanDerWaalsContact NE2-O 3.15Å; L407-L410 HydrophobicContact CD1-CD2 4.2Å; L407-L410 HydrophobicContact CD2-CD2 4.12Å; L407-T432 HydrophobicContact CD1-CG2 3.85Å; L407-T432 HydrophobicContact CG-CG2 4.18Å; L407-L436 HydrophobicContact CD1-CD1 3.69Å; L407-L598 HydrophobicContact CD2-CD2 3.84Å
408	K	93.5	Very high	91.4	Very high	83 Å²	83	62.4 Å²	62.4	36%	0.361	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	94.7	-173	-61.2	178.6	-175.1	171	0	110.1	Q405 L410 N600 G601 I602	Q405-K408 HydrophobicContact CG-CG 4.02Å; K408-L410 VanDerWaalsContact C-N 3.32Å; K408-L410 PolarHBondContact O-N 3.44Å; K408-N600 WeakPolarHBondContact CD-O 3.44Å; K408-G601 PolarHBondContact N-O 3.19Å; K408-I602 HydrophobicContact CB-CD1 4.22Å; K408-I602 HydrophobicContact CB-CG1 3.74Å; K408-I602 HydrophobicContact CD-CD1 4.33Å; K408-I602 HydrophobicContact CD-CG1 4.4Å
409	S	92	Very high	91.6	Very high	73 Å²	73	62.5 Å²	62.5	51%	0.51	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.4	46.6	179.2	-58.8	0	0	0	0	114.2	V394 T395 S411	V394-S409 CarbonylContact O-C 3.28Å; V394-S409 WeakPolarHBondContact O-CA 3.34Å; V394-S409 PolarHBondContact O-N 2.93Å; V394-S409 VanDerWaalsContact O-N 3.15Å; T395-S409 PolarHBondContact OG1-N 3.27Å; S409-S411 PolarHBondContact O-N 2.85Å
410	L	93.6	Very high	92	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.8	-179.4	-164.6	77.1	0	0	0	110.9	F391 N393 V394 L407 K408 F412 V433 L598 I603	F391-L410 HydrophobicContact CD1-CD2 4.35Å; N393-L410 PolarHBondContact N-O 3.15Å; V394-L410 HydrophobicContact CB-CB 4.37Å; V394-L410 PolarHBondContact N-O 3.49Å; V394-L410 PolarHBondContact O-N 2.85Å; L407-L410 HydrophobicContact CD1-CD2 4.2Å; L407-L410 HydrophobicContact CD2-CD2 4.12Å; K408-L410 VanDerWaalsContact C-N 3.32Å; K408-L410 PolarHBondContact O-N 3.44Å; L410-F412 HydrophobicContact CD2-CD1 4.31Å; L410-F412 HydrophobicContact CD2-CE1 3.62Å; L410-F412 HydrophobicContact CG-CD1 4.09Å; L410-F412 HydrophobicContact CG-CE1 3.91Å; L410-V433 HydrophobicContact CD2-CG2 4.06Å; L410-L598 HydrophobicContact CD1-CD1 4.29Å; L410-L598 HydrophobicContact CD1-CD2 4.05Å; L410-L598 HydrophobicContact CD1-CG 4.23Å; L410-I603 HydrophobicContact CD1-CD1 3.71Å; L410-I603 HydrophobicContact CD1-CG1 3.6Å; L410-I603 HydrophobicContact CG-CD1 4.22Å
411	S	94.5	Very high	92.5	Very high	54 Å²	54	56 Å²	56	38%	0.378	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.3	179.7	-63.3	0	0	0	0	111.4	F391 N393 S409	F391-S411 WeakPolarHBondContact O-CA 3.38Å; N393-S411 WeakPolarHBondContact CA-OG 3.19Å; N393-S411 PolarHBondContact N-OG 3.46Å; N393-S411 PolarHBondContact OD1-OG 2.96Å; S409-S411 PolarHBondContact O-N 2.85Å
412	F	94.5	Very high	92.8	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	162.8	173.6	61.6	-83.9	0	0	0	110.8	F391 L410 I414 V433 F596 I603	F391-F412 HydrophobicContact CB-CD1 3.96Å; F391-F412 HydrophobicContact CB-CE1 3.86Å; F391-F412 HydrophobicContact CB-CG 4.49Å; F391-F412 HydrophobicContact CB-CZ 4.31Å; F391-F412 AromaticContact CD1-CE1 3.97Å; F391-F412 HydrophobicContact CD1-CE1 3.97Å; F391-F412 HydrophobicContact CD1-CZ 4.2Å; F391-F412 AromaticContact CD2-CE1 3.88Å; F391-F412 HydrophobicContact CD2-CE1 3.88Å; F391-F412 AromaticContact CD2-CE2 3.85Å; F391-F412 HydrophobicContact CD2-CE2 3.85Å; F391-F412 AromaticContact CD2-CZ 3.46Å; F391-F412 HydrophobicContact CD2-CZ 3.46Å; F391-F412 VanDerWaalsContact CD2-CZ 3.46Å; F391-F412 HydrophobicContact CE1-CZ 4.44Å; F391-F412 HydrophobicContact CE2-CE1 4.44Å; F391-F412 HydrophobicContact CE2-CE2 4.23Å; F391-F412 AromaticContact CE2-CZ 3.74Å; F391-F412 HydrophobicContact CE2-CZ 3.74Å; F391-F412 HydrophobicContact CG-CD1 4.25Å; F391-F412 AromaticContact CG-CE1 3.63Å; F391-F412 HydrophobicContact CG-CE1 3.63Å; F391-F412 HydrophobicContact CG-CE2 4.41Å; F391-F412 AromaticContact CG-CZ 3.73Å; F391-F412 HydrophobicContact CG-CZ 3.73Å; F391-F412 HydrophobicContact CZ-CZ 4.23Å; F391-F412 PolarHBondContact N-O 2.98Å; F391-F412 PolarHBondContact O-N 3.28Å; F391-F412 VanDerWaalsContact O-N 3.17Å; L410-F412 HydrophobicContact CD2-CD1 4.31Å; L410-F412 HydrophobicContact CD2-CE1 3.62Å; L410-F412 HydrophobicContact CG-CD1 4.09Å; L410-F412 HydrophobicContact CG-CE1 3.91Å; F412-I414 HydrophobicContact CD2-CD1 4.31Å; F412-I414 HydrophobicContact CD2-CG1 4.02Å; F412-I414 HydrophobicContact CE2-CD1 3.78Å; F412-I414 HydrophobicContact CE2-CG1 4.01Å; F412-V433 HydrophobicContact CZ-CG1 4.14Å; F412-F596 HydrophobicContact CB-CD1 4.29Å; F412-F596 HydrophobicContact CB-CE1 3.56Å; F412-F596 HydrophobicContact CB-CZ 3.7Å; F412-F596 HydrophobicContact CD2-CE1 4.5Å; F412-F596 HydrophobicContact CD2-CE2 4.04Å; F412-F596 AromaticContact CD2-CZ 3.99Å; F412-F596 HydrophobicContact CD2-CZ 3.99Å; F412-F596 HydrophobicContact CG-CE1 4.18Å; F412-F596 HydrophobicContact CG-CE2 4.48Å; F412-F596 HydrophobicContact CG-CZ 4.11Å; F412-I603 HydrophobicContact CB-CD1 3.99Å; F412-I603 HydrophobicContact CD1-CD1 3.51Å; F412-I603 HydrophobicContact CE1-CD1 4.35Å; F412-I603 HydrophobicContact CG-CD1 4.04Å
413	V	95	Very high	93.1	Very high	69 Å²	69	43.7 Å²	43.7	42%	0.418	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.4	-178	177.1	0	0	0	0	109.4	H388 V389 E390	H388-V413 WeakPolarHBondContact CE1-CG1 3.25Å; V389-V413 CarbonylContact O-C 3.59Å; V389-V413 WeakPolarHBondContact O-CA 3.35Å; E390-V413 HydrophobicContact CB-CG2 4.38Å; E390-V413 HydrophobicContact CG-CG1 4.15Å; E390-V413 HydrophobicContact CG-CG2 4.12Å
414	I	95.6	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118	177.3	-50.4	165.5	0	0	0	107.9	H388 V389 F412 Q418 I420 T578 I580	H388-I414 WeakPolarHBondContact CA-O 3.23Å; H388-I414 PolarHBondContact ND1-O 3.1Å; V389-I414 HydrophobicContact CB-CB 4.25Å; V389-I414 HydrophobicContact CB-CD1 4.11Å; V389-I414 HydrophobicContact CG1-CD1 4.31Å; V389-I414 PolarHBondContact N-O 3.37Å; V389-I414 PolarHBondContact O-N 3.46Å; F412-I414 HydrophobicContact CD2-CD1 4.31Å; F412-I414 HydrophobicContact CD2-CG1 4.02Å; F412-I414 HydrophobicContact CE2-CD1 3.78Å; F412-I414 HydrophobicContact CE2-CG1 4.01Å; I414-Q418 HydrophobicContact CG2-CB 4.08Å; I414-I420 HydrophobicContact CD1-CD1 3.7Å; I414-I420 HydrophobicContact CD1-CG1 3.65Å; I414-I420 HydrophobicContact CG1-CD1 4.15Å; I414-I420 HydrophobicContact CG1-CG1 3.85Å; I414-I420 HydrophobicContact CG1-CG2 4.36Å; I414-I420 HydrophobicContact CG2-CG1 4.1Å; I414-I420 HydrophobicContact CG2-CG2 3.94Å; I414-T578 HydrophobicContact CB-CG2 4.49Å; I414-T578 HydrophobicContact CG2-CG2 3.51Å; I414-I580 HydrophobicContact CD1-CD1 3.41Å; I414-I580 VanDerWaalsContact CD1-CD1 3.41Å; I414-I580 HydrophobicContact CD1-CG1 3.62Å
415	A	95	Very high	93.1	Very high	46 Å²	46	35.3 Å²	35.3	38%	0.38	21%	0.211	S	C	.	.			trans	-70.6	154.4	176.8	0	0	0	0	0	111.6	G417 Q418	A415-G417 PolarHBondContact O-N 2.92Å; A415-Q418 HydrophobicContact CB-CB 4.21Å; A415-Q418 WeakPolarHBondContact O-CB 3.38Å; A415-Q418 PolarHBondContact O-N 3.4Å
416	A	94.1	Very high	92.6	Very high	48 Å²	48	37.8 Å²	37.8	40%	0.397	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	131.4	175.6	0	0	0	0	0	111.5	E386 Q418	E386-A416 HydrophobicContact CB-CB 4.01Å; E386-A416 WeakPolarHBondContact O-CB 3.29Å; A416-Q418 PolarHBondContact O-N 3.45Å
417	G	92.5	Very high	91.9	Very high	40 Å²	40	40.2 Å²	40.2	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-6.3	-177.3	0	0	0	0	0	115.3	A415 T578	A415-G417 PolarHBondContact O-N 2.92Å; G417-T578 PolarHBondContact N-OG1 3.02Å
418	Q	94.5	Very high	91.4	Very high	42 Å²	42	40.5 Å²	40.5	20%	0.196	27%	0.267	C	S	.	.			trans	-73.2	141.9	179.4	-165.1	178.5	15.1	0	0	111.3	I414 A415 A416 I420 T578 T579 D593	I414-Q418 HydrophobicContact CG2-CB 4.08Å; A415-Q418 HydrophobicContact CB-CB 4.21Å; A415-Q418 WeakPolarHBondContact O-CB 3.38Å; A415-Q418 PolarHBondContact O-N 3.4Å; A416-Q418 PolarHBondContact O-N 3.45Å; Q418-I420 HydrophobicContact CG-CG2 4.02Å; Q418-T578 WeakPolarHBondContact O-CA 3.43Å; Q418-T579 PolarHBondContact O-N 3.48Å; Q418-D593 HydrophobicContact CG-CB 3.85Å
419	R	95.2	Very high	91	Very high	65 Å²	65	36.8 Å²	36.8	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.7	174.2	-59.5	172.2	-63.8	152.3	13.1	109	D591 Y592 D593 K594	R419-D591 PolarHBondContact NH2-O 3.1Å; R419-Y592 HydrophobicContact CB-CD1 3.86Å; R419-Y592 HydrophobicContact CB-CE1 4.12Å; R419-Y592 HydrophobicContact CB-CG 4.4Å; R419-D593 IonicContact CZ-OD1 3.36Å; R419-D593 PolarHBondContact N-OD2 3.05Å; R419-D593 IonicContact NE-OD1 2.91Å; R419-D593 IonicContact NE-OD2 2.98Å; R419-D593 IonicContact NH2-OD1 3.91Å; R419-D593 PolarHBondContact NH2-OD1 2.91Å; R419-D593 PolarHBondContact O-N 2.96Å; R419-K594 PolarHBondContact O-N 3.3Å
420	I	95.1	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.1	179.2	66.5	105.4	0	0	0	112.1	I414 Q418 I422 T579 I580 A581 Y592 K594 F596	I414-I420 HydrophobicContact CD1-CD1 3.7Å; I414-I420 HydrophobicContact CD1-CG1 3.65Å; I414-I420 HydrophobicContact CG1-CD1 4.15Å; I414-I420 HydrophobicContact CG1-CG1 3.85Å; I414-I420 HydrophobicContact CG1-CG2 4.36Å; I414-I420 HydrophobicContact CG2-CG1 4.1Å; I414-I420 HydrophobicContact CG2-CG2 3.94Å; Q418-I420 HydrophobicContact CG-CG2 4.02Å; I420-I422 HydrophobicContact CD1-CD1 4.35Å; I420-I422 HydrophobicContact CD1-CG1 4.1Å; I420-T579 PolarHBondContact N-O 2.76Å; I420-I580 HydrophobicContact CD1-CB 4.18Å; I420-I580 HydrophobicContact CD1-CG1 3.92Å; I420-I580 HydrophobicContact CD1-CG2 3.79Å; I420-I580 HydrophobicContact CG1-CB 4.43Å; I420-I580 HydrophobicContact CG1-CG1 3.94Å; I420-I580 WeakPolarHBondContact O-CA 3.5Å; I420-A581 PolarHBondContact O-N 3.04Å; I420-Y592 WeakPolarHBondContact O-CE1 3.41Å; I420-K594 CarbonylContact C-O 3.57Å; I420-K594 WeakPolarHBondContact CA-O 3.41Å; I420-K594 HydrophobicContact CG2-CB 4.01Å; I420-F596 HydrophobicContact CB-CD2 4.4Å; I420-F596 HydrophobicContact CB-CE2 4.1Å; I420-F596 HydrophobicContact CD1-CD2 4.08Å; I420-F596 HydrophobicContact CD1-CE2 4.13Å; I420-F596 HydrophobicContact CG2-CE2 4.22Å
421	A	94.1	Very high	90.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.5	178.7	0	0	0	0	0	111.1	A581 I589 Y592 K594 I595 F596	A421-A581 CarbonylContact C-O 3.59Å; A421-A581 VanDerWaalsContact CA-O 3.27Å; A421-A581 WeakPolarHBondContact CA-O 3.31Å; A421-I589 HydrophobicContact CB-CB 3.71Å; A421-I589 HydrophobicContact CB-CD1 3.7Å; A421-I589 HydrophobicContact CB-CG1 4.34Å; A421-I589 HydrophobicContact CB-CG2 3.68Å; A421-Y592 HydrophobicContact CB-CD1 3.8Å; A421-Y592 HydrophobicContact CB-CE1 4.32Å; A421-Y592 HydrophobicContact CB-CG 4.06Å; A421-K594 PolarHBondContact N-O 2.9Å; A421-I595 HydrophobicContact CB-CG1 4.27Å; A421-I595 HydrophobicContact CB-CG2 4.48Å; A421-I595 CarbonylContact O-C 3.47Å; A421-I595 WeakPolarHBondContact O-CA 3.4Å; A421-F596 PolarHBondContact O-N 3.41Å
422	I	94.2	Very high	90.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.2	175	-59.1	179.3	0	0	0	108.5	I420 K430 V433 I580 A581 I582 A583 F596 L598	I420-I422 HydrophobicContact CD1-CD1 4.35Å; I420-I422 HydrophobicContact CD1-CG1 4.1Å; I422-K430 HydrophobicContact CG2-CB 4.19Å; I422-K430 HydrophobicContact CG2-CG 4.11Å; I422-V433 HydrophobicContact CD1-CB 4.13Å; I422-V433 HydrophobicContact CD1-CG1 3.85Å; I422-V433 HydrophobicContact CD1-CG2 4.09Å; I422-I580 HydrophobicContact CD1-CG2 4Å; I422-A581 PolarHBondContact N-O 3.26Å; I422-I582 HydrophobicContact CB-CG1 4.38Å; I422-A583 PolarHBondContact O-N 3.26Å; I422-F596 WeakPolarHBondContact CA-O 3.42Å; I422-L598 HydrophobicContact CG2-CD1 3.5Å
423	V	92.1	Very high	90.9	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160.7	-179.3	-74.3	0	0	0	0	111.4	A583 L586 I589 I595 F596 V597 L598 Y619 M622	V423-A583 HydrophobicContact CG1-CB 4.41Å; V423-L586 HydrophobicContact CB-CD2 4.48Å; V423-L586 HydrophobicContact CG1-CD2 4.03Å; V423-I589 HydrophobicContact CG1-CD1 3.32Å; V423-I595 HydrophobicContact CG2-CG2 3.62Å; V423-F596 PolarHBondContact N-O 3.08Å; V423-V597 HydrophobicContact CG2-CG2 4.01Å; V423-V597 CarbonylContact O-C 3.59Å; V423-V597 WeakPolarHBondContact O-CA 3.49Å; V423-L598 PolarHBondContact O-N 3.15Å; V423-Y619 HydrophobicContact CG2-CD2 3.95Å; V423-Y619 HydrophobicContact CG2-CE2 4.17Å; V423-M622 HydrophobicContact CG2-CE 4.39Å
424	G	88.3	Confident	90.8	Very high	14 Å²	14	29.7 Å²	29.7	14%	0.144	21%	0.205	C	C	.	.			trans	154.6	172.5	179.5	0	0	0	0	0	112	K430 L598	G424-K430 PolarHBondContact O-NZ 2.78Å; G424-L598 WeakPolarHBondContact CA-O 3.3Å
425	E	83.5	Confident	90.8	Very high	100 Å²	100	30.4 Å²	30.4	47%	0.467	21%	0.209	S	C	.	.	S	Bend	trans	-58	159.5	-179.9	-65.6	169	-158.2	0	0	112.3	G427 S428 K430 K599	E425-G427 PolarHBondContact O-N 3.02Å; E425-S428 VanDerWaalsContact O-CB 3.28Å; E425-S428 WeakPolarHBondContact O-CB 3.49Å; E425-S428 PolarHBondContact O-N 2.87Å; E425-S428 PolarHBondContact O-OG 3.05Å; E425-K430 PolarHBondContact O-NZ 3.3Å; E425-K599 IonicContact OE1-NZ 3.88Å
426	S	79.3	Confident	90.8	Very high	128 Å²	128	28.3 Å²	28.3	90%	0.895	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	136.5	174.7	-157.1	0	0	0	0	110.3	S428	S426-S428 VanDerWaalsContact C-N 3.33Å; S426-S428 PolarHBondContact O-N 2.98Å
427	G	78.8	Confident	90.9	Very high	66 Å²	66	26.1 Å²	26.1	68%	0.68	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	3.1	-175.3	0	0	0	0	0	116.1	E425 G429	E425-G427 PolarHBondContact O-N 3.02Å; G427-G429 PolarHBondContact O-N 2.83Å
428	S	83.9	Confident	91	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.035	15%	0.154	C	C	.	.	S	Bend	trans	-70.4	-8.8	179.4	69.9	0	0	0	0	115.3	E425 S426 K430 L598 G601	E425-S428 VanDerWaalsContact O-CB 3.28Å; E425-S428 WeakPolarHBondContact O-CB 3.49Å; E425-S428 PolarHBondContact O-N 2.87Å; E425-S428 PolarHBondContact O-OG 3.05Å; S426-S428 VanDerWaalsContact C-N 3.33Å; S426-S428 PolarHBondContact O-N 2.98Å; S428-K430 WeakPolarHBondContact OG-CG 3.33Å; S428-L598 WeakPolarHBondContact CB-O 3.43Å; S428-L598 WeakPolarHBondContact O-CD2 3.3Å; S428-G601 WeakPolarHBondContact O-CA 3.08Å; S428-G601 PolarHBondContact O-N 3.05Å
429	G	86.1	Confident	91	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	102.8	14	178.1	0	0	0	0	0	115.8	G427 T432	G427-G429 PolarHBondContact O-N 2.83Å; G429-T432 WeakPolarHBondContact O-CB 3.42Å; G429-T432 PolarHBondContact O-N 2.93Å
430	K	91.1	Very high	90.9	Very high	16 Å²	16	21.1 Å²	21.1	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-61.8	-176.9	-49.7	-176.9	-68.2	-86.6	0	112.9	I422 G424 E425 S428 T432 V433 I582	I422-K430 HydrophobicContact CG2-CB 4.19Å; I422-K430 HydrophobicContact CG2-CG 4.11Å; G424-K430 PolarHBondContact O-NZ 2.78Å; E425-K430 PolarHBondContact O-NZ 3.3Å; S428-K430 WeakPolarHBondContact OG-CG 3.33Å; K430-T432 PolarHBondContact O-N 2.89Å; K430-T432 VanDerWaalsContact O-N 3.11Å; K430-V433 WeakPolarHBondContact O-CB 3.5Å; K430-V433 PolarHBondContact O-N 3.36Å; K430-I582 VanDerWaalsContact C-CD1 3.42Å; K430-I582 HydrophobicContact CB-CD1 4.2Å; K430-I582 HydrophobicContact CB-CG1 4.22Å; K430-I582 HydrophobicContact CB-CG2 3.61Å; K430-I582 HydrophobicContact CD-CG2 3.95Å; K430-I582 HydrophobicContact CG-CG2 4.39Å; K430-I582 VanDerWaalsContact O-CD1 3.3Å; K430-I582 WeakPolarHBondContact O-CD1 3.42Å
431	S	91.4	Very high	90.9	Very high	36 Å²	36	21.5 Å²	21.5	25%	0.252	14%	0.142	S	C	.	.	H	α-helix	trans	-64.9	-17.8	-180	-47.1	0	0	0	0	112.9	V433 V434 N435 D552	S431-V433 VanDerWaalsContact C-N 3.27Å; S431-V433 PolarHBondContact O-N 3.49Å; S431-V434 PolarHBondContact O-N 3.29Å; S431-N435 VanDerWaalsContact O-CG 3.32Å; S431-N435 PolarHBondContact O-N 3.21Å; S431-N435 VanDerWaalsContact O-N 3.07Å; S431-N435 PolarHBondContact O-ND2 2.87Å; S431-D552 WeakPolarHBondContact CB-OD1 3.39Å; S431-D552 PolarHBondContact OG-OD1 2.9Å
432	T	93.7	Very high	90.9	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-33.6	172	-50.7	0	0	0	0	111.6	F396 Y398 V406 L407 G429 K430 N435 L436	F396-T432 HydrophobicContact CD1-CG2 3.33Å; F396-T432 HydrophobicContact CE1-CG2 3.71Å; F396-T432 HydrophobicContact CG-CG2 4.19Å; Y398-T432 HydrophobicContact CE2-CG2 4.35Å; Y398-T432 PolarHBondContact OH-OG1 3.46Å; V406-T432 HydrophobicContact CG1-CG2 4.46Å; L407-T432 HydrophobicContact CD1-CG2 3.85Å; L407-T432 HydrophobicContact CG-CG2 4.18Å; G429-T432 WeakPolarHBondContact O-CB 3.42Å; G429-T432 PolarHBondContact O-N 2.93Å; K430-T432 PolarHBondContact O-N 2.89Å; K430-T432 VanDerWaalsContact O-N 3.11Å; T432-N435 PolarHBondContact O-N 2.94Å; T432-L436 HydrophobicContact CG2-CD1 4.21Å; T432-L436 HydrophobicContact CG2-CG 4.41Å; T432-L436 VanDerWaalsContact O-CG 3.3Å; T432-L436 WeakPolarHBondContact O-CG 3.44Å; T432-L436 PolarHBondContact O-N 2.83Å
433	V	94.3	Very high	90.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-47	175.7	179.5	0	0	0	0	111.1	F391 L410 F412 I422 K430 S431 N435 L436 L437	F391-V433 HydrophobicContact CE1-CG1 4.14Å; F391-V433 HydrophobicContact CE2-CG1 4.28Å; F391-V433 HydrophobicContact CZ-CG1 3.65Å; L410-V433 HydrophobicContact CD2-CG2 4.06Å; F412-V433 HydrophobicContact CZ-CG1 4.14Å; I422-V433 HydrophobicContact CD1-CB 4.13Å; I422-V433 HydrophobicContact CD1-CG1 3.85Å; I422-V433 HydrophobicContact CD1-CG2 4.09Å; K430-V433 WeakPolarHBondContact O-CB 3.5Å; K430-V433 PolarHBondContact O-N 3.36Å; S431-V433 VanDerWaalsContact C-N 3.27Å; S431-V433 PolarHBondContact O-N 3.49Å; V433-N435 PolarHBondContact O-N 2.8Å; V433-L436 PolarHBondContact O-N 3Å; V433-L437 HydrophobicContact CG1-CD1 4.24Å; V433-L437 PolarHBondContact O-N 3.05Å
434	V	94.3	Very high	90.8	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-45.3	176.4	169	0	0	0	0	111	S431 L436 L437 L438 L550 D552 I582	S431-V434 PolarHBondContact O-N 3.29Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 2.72Å; V434-L437 PolarHBondContact O-N 3.37Å; V434-L438 HydrophobicContact CG1-CD1 4.05Å; V434-L438 WeakPolarHBondContact O-CG 3.17Å; V434-L438 PolarHBondContact O-N 3.36Å; V434-L550 HydrophobicContact CG1-CB 4.31Å; V434-L550 HydrophobicContact CG1-CD1 3.99Å; V434-L550 HydrophobicContact CG2-CB 4.36Å; V434-D552 HydrophobicContact CG2-CB 4.42Å; V434-I582 HydrophobicContact CB-CD1 4.37Å; V434-I582 HydrophobicContact CG2-CD1 3.49Å; V434-I582 VanDerWaalsContact CG2-CD1 3.49Å; V434-I582 HydrophobicContact CG2-CG1 4.39Å
435	N	94.6	Very high	91.1	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-35.7	179.5	-72.1	-46.7	0	0	0	113.1	S431 T432 V433 R439 F440 Y441	S431-N435 VanDerWaalsContact O-CG 3.32Å; S431-N435 PolarHBondContact O-N 3.21Å; S431-N435 VanDerWaalsContact O-N 3.07Å; S431-N435 PolarHBondContact O-ND2 2.87Å; T432-N435 PolarHBondContact O-N 2.94Å; V433-N435 PolarHBondContact O-N 2.8Å; N435-R439 PolarHBondContact O-N 3.28Å; N435-F440 PolarHBondContact O-N 2.9Å; N435-Y441 HydrophobicContact CB-CD2 3.98Å; N435-Y441 HydrophobicContact CB-CE2 3.96Å
436	L	95.7	Very high	91.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-38.3	176.1	-70.6	173.2	0	0	0	112.1	V394 F396 L407 T432 V433 V434 R439 Y441 I448	V394-L436 HydrophobicContact CG1-CD1 4Å; F396-L436 HydrophobicContact CB-CD1 4.24Å; F396-L436 HydrophobicContact CD2-CD2 3.87Å; F396-L436 HydrophobicContact CE2-CD2 4.1Å; F396-L436 HydrophobicContact CG-CD1 4.37Å; F396-L436 HydrophobicContact CG-CD2 4.25Å; L407-L436 HydrophobicContact CD1-CD1 3.69Å; T432-L436 HydrophobicContact CG2-CD1 4.21Å; T432-L436 HydrophobicContact CG2-CG 4.41Å; T432-L436 VanDerWaalsContact O-CG 3.3Å; T432-L436 WeakPolarHBondContact O-CG 3.44Å; T432-L436 PolarHBondContact O-N 2.83Å; V433-L436 PolarHBondContact O-N 3Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 2.72Å; L436-R439 WeakPolarHBondContact O-CA 3.12Å; L436-R439 PolarHBondContact O-N 3.34Å; L436-Y441 WeakPolarHBondContact CD2-O 3.49Å; L436-I448 HydrophobicContact CB-CD1 3.71Å; L436-I448 HydrophobicContact CD1-CD1 4.41Å
437	L	95.4	Very high	92.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-36.8	175.8	-79.3	165.9	0	0	0	113.1	V389 F391 V433 V434 R439 I448 L455 L550 I580	V389-L437 HydrophobicContact CG1-CD2 3.75Å; F391-L437 HydrophobicContact CE2-CD1 4.23Å; F391-L437 HydrophobicContact CE2-CD2 4Å; F391-L437 HydrophobicContact CE2-CG 4.11Å; F391-L437 HydrophobicContact CZ-CD1 4.23Å; F391-L437 HydrophobicContact CZ-CD2 4.19Å; F391-L437 HydrophobicContact CZ-CG 3.91Å; V433-L437 HydrophobicContact CG1-CD1 4.24Å; V433-L437 PolarHBondContact O-N 3.05Å; V434-L437 PolarHBondContact O-N 3.37Å; L437-R439 PolarHBondContact O-N 3.29Å; L437-I448 HydrophobicContact CD2-CG2 4.03Å; L437-L455 HydrophobicContact CD2-CD1 4.06Å; L437-L550 HydrophobicContact CB-CD1 4.14Å; L437-L550 HydrophobicContact CD1-CD2 3.97Å; L437-I580 HydrophobicContact CD1-CD1 3.34Å
438	L	94.4	Very high	93.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.4	171	-68.9	170.3	0	0	0	113.3	V434 F440 R464 I467 V469 L550	V434-L438 HydrophobicContact CG1-CD1 4.05Å; V434-L438 WeakPolarHBondContact O-CG 3.17Å; V434-L438 PolarHBondContact O-N 3.36Å; L438-F440 HydrophobicContact CB-CD1 4.29Å; L438-F440 HydrophobicContact CB-CD2 4.24Å; L438-F440 HydrophobicContact CB-CE1 4.35Å; L438-F440 HydrophobicContact CB-CE2 4.31Å; L438-F440 HydrophobicContact CB-CG 4.23Å; L438-F440 HydrophobicContact CB-CZ 4.37Å; L438-F440 HydrophobicContact CD1-CD2 4.16Å; L438-F440 HydrophobicContact CD1-CE2 3.65Å; L438-F440 HydrophobicContact CD1-CZ 3.98Å; L438-F440 PolarHBondContact O-N 3.21Å; L438-R464 PolarHBondContact O-NE 3.19Å; L438-I467 HydrophobicContact CD2-CG2 3.91Å; L438-V469 HydrophobicContact CD1-CG2 3.73Å; L438-V469 HydrophobicContact CD2-CG2 3.72Å; L438-V469 HydrophobicContact CG-CG2 4.12Å; L438-L550 HydrophobicContact CD2-CD1 4.27Å; L438-L550 HydrophobicContact CG-CD1 4.1Å
439	R	95.1	Very high	93.8	Very high	29 Å²	29	27.9 Å²	27.9	11%	0.109	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.7	-172.7	-156.2	-178.9	171	-170.6	-4.7	111.2	I372 N435 L436 L437 Y441 D442 L455 K456 F458 L463 R464	I372-R439 HydrophobicContact CD1-CG 4.39Å; N435-R439 PolarHBondContact O-N 3.28Å; L436-R439 WeakPolarHBondContact O-CA 3.12Å; L436-R439 PolarHBondContact O-N 3.34Å; L437-R439 PolarHBondContact O-N 3.29Å; R439-Y441 VanDerWaalsContact C-N 3.25Å; R439-D442 IonicContact NE-OD1 3.83Å; R439-D442 PolarHBondContact NE-OD1 2.9Å; R439-L455 HydrophobicContact CB-CD2 3.59Å; R439-L455 HydrophobicContact CG-CD2 3.86Å; R439-L455 PolarHBondContact NH1-O 3.46Å; R439-K456 VanDerWaalsContact CZ-CA 3.47Å; R439-K456 PolarHBondContact NH1-O 2.91Å; R439-K456 PolarHBondContact NH2-O 2.94Å; R439-F458 PolarHBondContact NH1-O 2.81Å; R439-L463 HydrophobicContact CB-CD2 3.8Å; R439-R464 PolarHBondContact O-NH2 3.2Å
440	F	94.3	Very high	94.2	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.035	15%	0.151	C	C	.	.	S	Bend	trans	-73.8	-26.6	165.3	-73.1	-21.9	0	0	0	111.3	I161 N435 L438 R853 Q856	I161-F440 HydrophobicContact CB-CB 4.07Å; I161-F440 HydrophobicContact CB-CG 4.36Å; I161-F440 HydrophobicContact CD1-CD1 3.78Å; I161-F440 HydrophobicContact CD1-CE1 4.07Å; I161-F440 HydrophobicContact CD1-CG 4.25Å; I161-F440 HydrophobicContact CG1-CB 4.14Å; I161-F440 HydrophobicContact CG1-CD1 3.93Å; I161-F440 HydrophobicContact CG1-CD2 4.26Å; I161-F440 HydrophobicContact CG1-CE1 4.37Å; I161-F440 HydrophobicContact CG1-CG 3.87Å; I161-F440 HydrophobicContact CG2-CB 4.42Å; N435-F440 PolarHBondContact O-N 2.9Å; L438-F440 HydrophobicContact CB-CD1 4.29Å; L438-F440 HydrophobicContact CB-CD2 4.24Å; L438-F440 HydrophobicContact CB-CE1 4.35Å; L438-F440 HydrophobicContact CB-CE2 4.31Å; L438-F440 HydrophobicContact CB-CG 4.23Å; L438-F440 HydrophobicContact CB-CZ 4.37Å; L438-F440 HydrophobicContact CD1-CD2 4.16Å; L438-F440 HydrophobicContact CD1-CE2 3.65Å; L438-F440 HydrophobicContact CD1-CZ 3.98Å; L438-F440 PolarHBondContact O-N 3.21Å; F440-R853 HydrophobicContact CE2-CB 4.38Å; F440-R853 WeakPolarHBondContact CZ-O 3.22Å; F440-Q856 HydrophobicContact CE1-CB 4.07Å
441	Y	94.8	Very high	94.3	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.035	16%	0.158	C	C	.	.	S	Bend	trans	-135.9	153.3	171.4	-45.8	-90.3	0	0	0	109.1	I161 D165 F396 Y398 N435 L436 R439	I161-Y441 HydrophobicContact CG2-CE1 4.04Å; I161-Y441 HydrophobicContact CG2-CE2 4.1Å; I161-Y441 WeakPolarHBondContact CG2-OH 3.49Å; D165-Y441 PolarHBondContact OD1-OH 2.97Å; D165-Y441 VanDerWaalsContact OD2-CE1 3.31Å; D165-Y441 WeakPolarHBondContact OD2-CE1 3.45Å; D165-Y441 PolarHBondContact OD2-OH 2.81Å; F396-Y441 HydrophobicContact CE2-CG 4.08Å; F396-Y441 HydrophobicContact CZ-CD1 4.01Å; F396-Y441 HydrophobicContact CZ-CD2 4.09Å; F396-Y441 AromaticContact CZ-CG 3.65Å; F396-Y441 HydrophobicContact CZ-CG 3.65Å; Y398-Y441 HydrophobicContact CD1-CE1 4.07Å; Y398-Y441 HydrophobicContact CD1-CE2 4.27Å; Y398-Y441 AromaticContact CD1-CZ 3.84Å; Y398-Y441 HydrophobicContact CE1-CD2 4.3Å; Y398-Y441 HydrophobicContact CE1-CE1 4.27Å; Y398-Y441 AromaticContact CE1-CE2 3.64Å; Y398-Y441 HydrophobicContact CE1-CE2 3.64Å; Y398-Y441 AromaticContact CE1-CZ 3.6Å; N435-Y441 HydrophobicContact CB-CD2 3.98Å; N435-Y441 HydrophobicContact CB-CE2 3.96Å; L436-Y441 WeakPolarHBondContact CD2-O 3.49Å; R439-Y441 VanDerWaalsContact C-N 3.25Å
442	D	93.6	Very high	94.3	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	17%	0.172	S	C	.	.			trans	-89.8	146.4	165.4	-81.8	-8.5	0	0	0	109.5	R439 K456	R439-D442 IonicContact NE-OD1 3.83Å; R439-D442 PolarHBondContact NE-OD1 2.9Å; D442-K456 WeakPolarHBondContact OD2-CE 3.36Å; D442-K456 IonicContact OD2-NZ 2.68Å
443	C	92.9	Very high	94.3	Very high	16 Å²	16	34.5 Å²	34.5	11%	0.108	19%	0.192	C	C	.	.			trans	-67.4	145	173	54.8	0	0	0	0	111.9	V394 G446	V394-C443 HydrophobicContact CG1-CB 3.85Å; C443-G446 PolarHBondContact SG-O 2.86Å; C443-G446 VanDerWaalsContact SG-O 3.33Å
444	T	91.6	Very high	94.2	Very high	92 Å²	92	36.3 Å²	36.3	56%	0.564	20%	0.202	S	C	*	.	S	Bend	trans	-73.7	-40.9	-178.9	-32.9	0	0	0	0	111.7	T395 F396 S397	T395-T444 WeakPolarHBondContact O-CB 3.34Å; T395-T444 PolarHBondContact O-N 2.99Å; T395-T444 PolarHBondContact O-OG1 3.05Å; F396-T444 WeakPolarHBondContact CA-OG1 3.22Å; S397-T444 PolarHBondContact N-OG1 3.29Å
445	K	93.7	Very high	94.2	Very high	153 Å²	153	36.6 Å²	36.6	67%	0.665	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.5	168.4	-68.4	-178.5	175.5	178.3	0	109.8	V394 T395	V394-K445 WeakPolarHBondContact CA-O 3.43Å; T395-K445 PolarHBondContact N-O 3.06Å; T395-K445 PolarHBondContact O-N 3.3Å
446	G	93.7	Very high	94	Very high	41 Å²	41	40.6 Å²	40.6	42%	0.423	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-171.8	-174.7	0	0	0	0	0	112.3	H392 N393 C443	H392-G446 WeakPolarHBondContact O-CA 3.38Å; N393-G446 WeakPolarHBondContact O-CA 3.34Å; C443-G446 PolarHBondContact SG-O 2.86Å; C443-G446 VanDerWaalsContact SG-O 3.33Å
447	A	95.6	Very high	93.9	Very high	14 Å²	14	44.6 Å²	44.6	12%	0.116	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.4	-179.8	0	0	0	0	0	111	H392 Y449 N454	H392-A447 PolarHBondContact N-O 3.17Å; H392-A447 PolarHBondContact O-N 3.37Å; H392-A447 VanDerWaalsContact O-N 3.08Å; A447-Y449 HydrophobicContact CB-CD2 4.28Å; A447-Y449 HydrophobicContact CB-CE2 3.43Å; A447-Y449 VanDerWaalsContact CB-CE2 3.43Å; A447-N454 WeakPolarHBondContact CB-ND2 3.45Å
448	I	96.6	Very high	93.7	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.1	173.8	-54.5	167.9	0	0	0	107.1	E390 F391 V394 L436 L437 L455	E390-I448 CarbonylContact O-C 3.49Å; E390-I448 VanDerWaalsContact O-CA 3.28Å; E390-I448 WeakPolarHBondContact O-CA 3.34Å; E390-I448 WeakPolarHBondContact O-CG2 3.27Å; F391-I448 HydrophobicContact CD1-CD1 4.07Å; F391-I448 HydrophobicContact CD1-CG1 3.88Å; F391-I448 HydrophobicContact CD2-CG2 4.07Å; F391-I448 HydrophobicContact CE1-CD1 3.47Å; F391-I448 VanDerWaalsContact CE1-CD1 3.47Å; F391-I448 HydrophobicContact CE1-CG1 3.79Å; F391-I448 HydrophobicContact CE2-CG2 3.82Å; F391-I448 HydrophobicContact CG-CG1 4.28Å; F391-I448 HydrophobicContact CZ-CD1 3.74Å; F391-I448 HydrophobicContact CZ-CG1 4.12Å; F391-I448 HydrophobicContact CZ-CG2 4.05Å; V394-I448 HydrophobicContact CG2-CG1 3.79Å; L436-I448 HydrophobicContact CB-CD1 3.71Å; L436-I448 HydrophobicContact CD1-CD1 4.41Å; L437-I448 HydrophobicContact CD2-CG2 4.03Å; I448-L455 HydrophobicContact CB-CB 4.32Å; I448-L455 HydrophobicContact CB-CD1 3.83Å; I448-L455 HydrophobicContact CG2-CD1 3.45Å; I448-L455 VanDerWaalsContact CG2-CD1 3.45Å; I448-L455 WeakPolarHBondContact O-CB 3.42Å; I448-L455 PolarHBondContact O-N 2.98Å
449	Y	96.1	Very high	93.7	Very high	73 Å²	73	44.9 Å²	44.9	29%	0.286	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.8	-179.7	-59.7	-105.7	0	0	0	110.4	V389 E390 H392 A447 G452 F453 N454	V389-Y449 WeakPolarHBondContact CA-O 3.27Å; E390-Y449 PolarHBondContact N-O 2.98Å; E390-Y449 PolarHBondContact O-N 3.19Å; H392-Y449 AromaticContact CD2-CD2 3.54Å; H392-Y449 AromaticContact CD2-CE2 3.64Å; A447-Y449 HydrophobicContact CB-CD2 4.28Å; A447-Y449 HydrophobicContact CB-CE2 3.43Å; A447-Y449 VanDerWaalsContact CB-CE2 3.43Å; Y449-G452 WeakPolarHBondContact CD1-O 3.25Å; Y449-F453 CarbonylContact C-O 3.37Å; Y449-F453 WeakPolarHBondContact CA-O 3.31Å; Y449-N454 HydrophobicContact CD1-CB 3.97Å; Y449-N454 HydrophobicContact CE1-CB 3.76Å
450	I	94.8	Very high	93.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.2	168.1	-57.2	178.4	0	0	0	107.3	V385 H388 V389 G452 F453 L455 F458 L463 M466 I548	V385-I450 HydrophobicContact CG1-CG2 4.49Å; H388-I450 CarbonylContact O-C 3.49Å; H388-I450 VanDerWaalsContact O-CA 3.32Å; H388-I450 WeakPolarHBondContact O-CA 3.41Å; V389-I450 HydrophobicContact CG2-CG1 4.42Å; I450-G452 PolarHBondContact O-N 3.39Å; I450-F453 PolarHBondContact N-O 3.41Å; I450-F453 PolarHBondContact O-N 2.84Å; I450-L455 HydrophobicContact CD1-CD1 4.02Å; I450-L455 HydrophobicContact CD1-CG 4.46Å; I450-L455 HydrophobicContact CG1-CD1 4.19Å; I450-F458 HydrophobicContact CB-CE2 4.39Å; I450-F458 HydrophobicContact CB-CZ 4.26Å; I450-L463 HydrophobicContact CD1-CD1 3.62Å; I450-M466 HydrophobicContact CB-CE 4.47Å; I450-M466 HydrophobicContact CD1-CE 3.99Å; I450-M466 HydrophobicContact CG2-CE 3.67Å; I450-I548 HydrophobicContact CD1-CD1 4.1Å; I450-I548 HydrophobicContact CG2-CD1 3.9Å
451	D	93.3	Very high	93.4	Very high	41 Å²	41	47 Å²	47	22%	0.219	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	42.1	-175	-60	-21.2	0	0	0	112.3	V385 E386 G387 H388 F453	V385-D451 WeakPolarHBondContact CA-OD2 3.37Å; V385-D451 VanDerWaalsContact CG1-OD2 3.25Å; V385-D451 WeakPolarHBondContact CG1-OD2 3.39Å; E386-D451 PolarHBondContact N-OD2 2.95Å; G387-D451 PolarHBondContact N-OD1 3.48Å; G387-D451 PolarHBondContact N-OD2 3.39Å; H388-D451 WeakPolarHBondContact CB-OD1 3.2Å; H388-D451 PolarHBondContact N-OD1 3.22Å; H388-D451 PolarHBondContact O-N 3.09Å; D451-F453 VanDerWaalsContact C-N 3.25Å; D451-F453 VanDerWaalsContact O-CD2 3.28Å; D451-F453 WeakPolarHBondContact O-CD2 3.47Å; D451-F453 PolarHBondContact O-N 2.91Å
452	G	91.5	Very high	93.2	Very high	52 Å²	52	47 Å²	47	54%	0.536	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-6.9	179.9	0	0	0	0	0	115.7	Y449 I450	Y449-G452 WeakPolarHBondContact CD1-O 3.25Å; I450-G452 PolarHBondContact O-N 3.39Å
453	F	93	Very high	93.2	Very high	108 Å²	108	44.4 Å²	44.4	47%	0.474	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.5	176.7	-64	-81.1	0	0	0	111.4	L380 Y449 I450 D451 L455 F458	L380-F453 HydrophobicContact CD2-CB 4.24Å; L380-F453 HydrophobicContact CD2-CD1 3.8Å; L380-F453 HydrophobicContact CD2-CD2 4.08Å; L380-F453 HydrophobicContact CD2-CE1 4.15Å; L380-F453 HydrophobicContact CD2-CE2 4.41Å; L380-F453 HydrophobicContact CD2-CG 3.76Å; L380-F453 HydrophobicContact CD2-CZ 4.44Å; Y449-F453 CarbonylContact C-O 3.37Å; Y449-F453 WeakPolarHBondContact CA-O 3.31Å; I450-F453 PolarHBondContact N-O 3.41Å; I450-F453 PolarHBondContact O-N 2.84Å; D451-F453 VanDerWaalsContact C-N 3.25Å; D451-F453 VanDerWaalsContact O-CD2 3.28Å; D451-F453 WeakPolarHBondContact O-CD2 3.47Å; D451-F453 PolarHBondContact O-N 2.91Å; F453-L455 PolarHBondContact O-N 3.11Å; F453-F458 HydrophobicContact CB-CE2 3.56Å; F453-F458 HydrophobicContact CB-CZ 3.6Å; F453-F458 HydrophobicContact CG-CZ 4.41Å; F453-F458 WeakPolarHBondContact O-CE2 3.19Å
454	N	94.2	Very high	93.2	Very high	39 Å²	39	43.9 Å²	43.9	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.6	176.7	-175	-52.8	0	0	0	110.5	A447 Y449 K456 V457 F458	A447-N454 WeakPolarHBondContact CB-ND2 3.45Å; Y449-N454 HydrophobicContact CD1-CB 3.97Å; Y449-N454 HydrophobicContact CE1-CB 3.76Å; N454-K456 PolarHBondContact O-N 2.75Å; N454-K456 WeakPolarHBondContact OD1-CB 3.44Å; N454-K456 PolarHBondContact OD1-N 3.31Å; N454-V457 HydrophobicContact CB-CG2 4.1Å; N454-V457 PolarHBondContact O-N 2.99Å; N454-F458 WeakPolarHBondContact O-CD2 3.45Å
455	L	92.6	Very high	93.1	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.1	-177.5	-138.8	140.5	0	0	0	113.3	L437 R439 I448 I450 F453 V457 L463	L437-L455 HydrophobicContact CD2-CD1 4.06Å; R439-L455 HydrophobicContact CB-CD2 3.59Å; R439-L455 HydrophobicContact CG-CD2 3.86Å; R439-L455 PolarHBondContact NH1-O 3.46Å; I448-L455 HydrophobicContact CB-CB 4.32Å; I448-L455 HydrophobicContact CB-CD1 3.83Å; I448-L455 HydrophobicContact CG2-CD1 3.45Å; I448-L455 VanDerWaalsContact CG2-CD1 3.45Å; I448-L455 WeakPolarHBondContact O-CB 3.42Å; I448-L455 PolarHBondContact O-N 2.98Å; I450-L455 HydrophobicContact CD1-CD1 4.02Å; I450-L455 HydrophobicContact CD1-CG 4.46Å; I450-L455 HydrophobicContact CG1-CD1 4.19Å; F453-L455 PolarHBondContact O-N 3.11Å; L455-V457 VanDerWaalsContact C-N 3.35Å; L455-V457 PolarHBondContact O-N 3.15Å; L455-L463 HydrophobicContact CD2-CD1 4.43Å; L455-L463 HydrophobicContact CD2-CD2 3.47Å; L455-L463 VanDerWaalsContact CD2-CD2 3.47Å; L455-L463 HydrophobicContact CG-CD1 4.38Å; L455-L463 HydrophobicContact CG-CD2 4.24Å
456	K	91.6	Very high	93	Very high	98 Å²	98	35.3 Å²	35.3	43%	0.426	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.2	178.8	-68.6	-170.9	179.6	-170.1	0	114.8	R439 D442 N454	R439-K456 VanDerWaalsContact CZ-CA 3.47Å; R439-K456 PolarHBondContact NH1-O 2.91Å; R439-K456 PolarHBondContact NH2-O 2.94Å; D442-K456 WeakPolarHBondContact OD2-CE 3.36Å; D442-K456 IonicContact OD2-NZ 2.68Å; N454-K456 PolarHBondContact O-N 2.75Å; N454-K456 WeakPolarHBondContact OD1-CB 3.44Å; N454-K456 PolarHBondContact OD1-N 3.31Å
457	V	92.6	Very high	93	Very high	86 Å²	86	33.5 Å²	33.5	52%	0.521	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.3	-175.3	-159.4	0	0	0	0	111.6	G379 L380 N454 L455	G379-V457 CarbonylContact C-O 3.56Å; G379-V457 VanDerWaalsContact CA-O 3.22Å; G379-V457 WeakPolarHBondContact CA-O 3.24Å; L380-V457 PolarHBondContact N-O 3.45Å; N454-V457 HydrophobicContact CB-CG2 4.1Å; N454-V457 PolarHBondContact O-N 2.99Å; L455-V457 VanDerWaalsContact C-N 3.35Å; L455-V457 PolarHBondContact O-N 3.15Å
458	F	91.9	Very high	92.9	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-66.1	147.5	177.8	-72.7	-90.4	0	0	0	112.6	L380 P382 R439 I450 F453 N454 L463	L380-F458 HydrophobicContact CB-CD1 4.46Å; L380-F458 HydrophobicContact CD2-CD1 4.35Å; L380-F458 HydrophobicContact CD2-CE1 3.99Å; L380-F458 HydrophobicContact CD2-CZ 4.34Å; P382-F458 HydrophobicContact CB-CE1 4.33Å; P382-F458 HydrophobicContact CG-CD1 4.19Å; P382-F458 HydrophobicContact CG-CE1 3.72Å; R439-F458 PolarHBondContact NH1-O 2.81Å; I450-F458 HydrophobicContact CB-CE2 4.39Å; I450-F458 HydrophobicContact CB-CZ 4.26Å; F453-F458 HydrophobicContact CB-CE2 3.56Å; F453-F458 HydrophobicContact CB-CZ 3.6Å; F453-F458 HydrophobicContact CG-CZ 4.41Å; F453-F458 WeakPolarHBondContact O-CE2 3.19Å; N454-F458 WeakPolarHBondContact O-CD2 3.45Å; F458-L463 HydrophobicContact CB-CB 4.12Å
459	N	93.7	Very high	92.8	Very high	5 Å²	5	34 Å²	34	3%	0.027	19%	0.185	C	C	.	.			trans	-65.9	130.3	159.7	179.1	-92.4	0	0	0	109.5	S376 L378 L380 H381 H461 A462 L463	S376-N459 PolarHBondContact O-ND2 3.07Å; L378-N459 PolarHBondContact O-ND2 2.89Å; L380-N459 PolarHBondContact O-N 3.48Å; H381-N459 WeakPolarHBondContact NE2-CB 3.28Å; N459-H461 VanDerWaalsContact C-N 3.32Å; N459-H461 PolarHBondContact O-N 3.37Å; N459-H461 WeakPolarHBondContact OD1-CA 3.33Å; N459-H461 VanDerWaalsContact OD1-CB 3.27Å; N459-H461 WeakPolarHBondContact OD1-CB 3.1Å; N459-H461 PolarHBondContact OD1-N 3.43Å; N459-A462 HydrophobicContact CB-CB 3.91Å; N459-A462 PolarHBondContact O-N 2.98Å; N459-A462 PolarHBondContact OD1-N 3.11Å; N459-L463 WeakPolarHBondContact O-CB 3.43Å; N459-L463 PolarHBondContact O-N 3.38Å
460	V	92.5	Very high	92.8	Very high	8 Å²	8	30.7 Å²	30.7	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-38.9	-174.5	179.6	0	0	0	0	112	I372 R464	I372-V460 HydrophobicContact CG2-CG1 4.5Å; I372-V460 HydrophobicContact CG2-CG2 3.87Å; V460-R464 WeakPolarHBondContact O-CB 3.28Å; V460-R464 WeakPolarHBondContact O-CG 3.42Å; V460-R464 PolarHBondContact O-N 3.4Å
461	H	90.5	Very high	92.6	Very high	74 Å²	74	33.1 Å²	33.1	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-66.1	-44.4	177.3	-169.6	89.7	0	0	0	111	N459 R464 S465 C859	N459-H461 VanDerWaalsContact C-N 3.32Å; N459-H461 PolarHBondContact O-N 3.37Å; N459-H461 WeakPolarHBondContact OD1-CA 3.33Å; N459-H461 VanDerWaalsContact OD1-CB 3.27Å; N459-H461 WeakPolarHBondContact OD1-CB 3.1Å; N459-H461 PolarHBondContact OD1-N 3.43Å; H461-R464 PolarHBondContact O-N 3.32Å; H461-S465 VanDerWaalsContact O-CB 3.28Å; H461-S465 WeakPolarHBondContact O-CB 3.4Å; H461-S465 PolarHBondContact O-N 3.32Å; H461-S465 PolarHBondContact O-OG 3.04Å; H461-C859 WeakPolarHBondContact CE1-CB 3.38Å; H461-C859 WeakPolarHBondContact ND1-CB 3.39Å
462	A	90.4	Very high	92.3	Very high	9 Å²	9	35 Å²	35	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-50.9	176.3	0	0	0	0	0	111.5	H381 N459 R464 S465 M466	H381-A462 WeakPolarHBondContact ND1-CB 3.29Å; N459-A462 HydrophobicContact CB-CB 3.91Å; N459-A462 PolarHBondContact O-N 2.98Å; N459-A462 PolarHBondContact OD1-N 3.11Å; A462-R464 PolarHBondContact O-N 2.93Å; A462-S465 PolarHBondContact O-N 2.85Å; A462-S465 VanDerWaalsContact O-N 3.08Å; A462-S465 PolarHBondContact O-OG 3.25Å; A462-M466 WeakPolarHBondContact O-CG 3.45Å; A462-M466 PolarHBondContact O-N 3.2Å
463	L	93.7	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54	-49.1	177.6	172	68.1	0	0	0	112.4	R439 I450 L455 F458 N459 S465 M466 I467	R439-L463 HydrophobicContact CB-CD2 3.8Å; I450-L463 HydrophobicContact CD1-CD1 3.62Å; L455-L463 HydrophobicContact CD2-CD1 4.43Å; L455-L463 HydrophobicContact CD2-CD2 3.47Å; L455-L463 VanDerWaalsContact CD2-CD2 3.47Å; L455-L463 HydrophobicContact CG-CD1 4.38Å; L455-L463 HydrophobicContact CG-CD2 4.24Å; F458-L463 HydrophobicContact CB-CB 4.12Å; N459-L463 WeakPolarHBondContact O-CB 3.43Å; N459-L463 PolarHBondContact O-N 3.38Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 3.35Å; L463-M466 HydrophobicContact CD1-CE 4.29Å; L463-M466 WeakPolarHBondContact O-CG 3.47Å; L463-I467 HydrophobicContact CD1-CD1 3.98Å; L463-I467 HydrophobicContact CG-CD1 4.26Å; L463-I467 WeakPolarHBondContact O-CG1 3.49Å
464	R	93.3	Very high	91.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-76.6	-18.4	-178.6	-69.5	177.8	-172.2	164	6.4	112.4	L438 R439 V460 H461 A462 R544 Q856 C859	L438-R464 PolarHBondContact O-NE 3.19Å; R439-R464 PolarHBondContact O-NH2 3.2Å; V460-R464 WeakPolarHBondContact O-CB 3.28Å; V460-R464 WeakPolarHBondContact O-CG 3.42Å; V460-R464 PolarHBondContact O-N 3.4Å; H461-R464 PolarHBondContact O-N 3.32Å; A462-R464 PolarHBondContact O-N 2.93Å; R464-R544 PolarHBondContact O-NH1 3.47Å; R464-Q856 WeakPolarHBondContact CD-O 3.31Å; R464-Q856 PolarHBondContact NH1-O 3.05Å; R464-Q856 VanDerWaalsContact NH1-O 3.11Å; R464-C859 WeakPolarHBondContact CB-SG 3.36Å
465	S	89.5	Confident	91.6	Very high	47 Å²	47	35.8 Å²	35.8	33%	0.329	19%	0.192	S	C	.	.	H	α-helix	trans	-73.7	-29.2	175.2	72.3	0	0	0	0	114.2	H461 A462 L463	H461-S465 VanDerWaalsContact O-CB 3.28Å; H461-S465 WeakPolarHBondContact O-CB 3.4Å; H461-S465 PolarHBondContact O-N 3.32Å; H461-S465 PolarHBondContact O-OG 3.04Å; A462-S465 PolarHBondContact O-N 2.85Å; A462-S465 VanDerWaalsContact O-N 3.08Å; A462-S465 PolarHBondContact O-OG 3.25Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 3.35Å
466	M	91.4	Very high	91.6	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.094	20%	0.195	C	C	.	.	S	Bend	trans	-84.2	-10.1	175.1	52.7	-173.9	-103.6	0	0	113.6	P382 V385 I450 A462 L463 P546 K547 I548	P382-M466 HydrophobicContact CG-SD 4.09Å; V385-M466 HydrophobicContact CG1-CE 3.63Å; V385-M466 HydrophobicContact CG1-SD 4.23Å; V385-M466 HydrophobicContact CG2-CE 4.19Å; V385-M466 HydrophobicContact CG2-SD 3.76Å; I450-M466 HydrophobicContact CB-CE 4.47Å; I450-M466 HydrophobicContact CD1-CE 3.99Å; I450-M466 HydrophobicContact CG2-CE 3.67Å; A462-M466 WeakPolarHBondContact O-CG 3.45Å; A462-M466 PolarHBondContact O-N 3.2Å; L463-M466 HydrophobicContact CD1-CE 4.29Å; L463-M466 WeakPolarHBondContact O-CG 3.47Å; M466-P546 WeakPolarHBondContact O-CB 3.5Å; M466-K547 PolarHBondContact O-N 2.85Å; M466-I548 HydrophobicContact CE-CD1 4.14Å; M466-I548 PolarHBondContact O-N 3.17Å
467	I	94.3	Very high	91.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.2	-180	-61.7	171.3	0	0	0	110.3	L438 L463 V469 I548 L550	L438-I467 HydrophobicContact CD2-CG2 3.91Å; L463-I467 HydrophobicContact CD1-CD1 3.98Å; L463-I467 HydrophobicContact CG-CD1 4.26Å; L463-I467 WeakPolarHBondContact O-CG1 3.49Å; I467-V469 HydrophobicContact CG2-CG2 4.32Å; I467-I548 WeakPolarHBondContact CA-O 3.43Å; I467-I548 HydrophobicContact CG1-CB 4.2Å; I467-I548 HydrophobicContact CG1-CG2 4.48Å; I467-L550 HydrophobicContact CG2-CD1 3.55Å; I467-L550 HydrophobicContact CG2-CG 3.74Å
468	G	94.3	Very high	91.5	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.9	166.7	0	0	0	0	0	110.2	I548 L550	G468-I548 PolarHBondContact N-O 3.47Å; G468-L550 PolarHBondContact O-N 3.3Å
469	V	94.5	Very high	91.4	Very high	29 Å²	29	28.4 Å²	28.4	18%	0.176	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.5	177	153.1	0	0	0	0	109.9	L438 I467 S471 L550	L438-V469 HydrophobicContact CD1-CG2 3.73Å; L438-V469 HydrophobicContact CD2-CG2 3.72Å; L438-V469 HydrophobicContact CG-CG2 4.12Å; I467-V469 HydrophobicContact CG2-CG2 4.32Å; V469-S471 WeakPolarHBondContact CG1-OG 3.31Å; V469-L550 WeakPolarHBondContact CA-O 3.42Å; V469-L550 HydrophobicContact CG2-CB 3.9Å; V469-L550 HydrophobicContact CG2-CD1 4.01Å; V469-L550 HydrophobicContact CG2-CG 4.37Å
470	V	94.4	Very high	91.4	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.6	165.5	-173.1	0	0	0	0	107.1	I538 A541 L550 L551 D552 A554	V470-I538 HydrophobicContact CG1-CG1 3.93Å; V470-I538 HydrophobicContact CG2-CG1 4.05Å; V470-A541 HydrophobicContact CG2-CB 4.17Å; V470-L550 PolarHBondContact N-O 3.48Å; V470-L551 HydrophobicContact CB-CD2 3.71Å; V470-L551 HydrophobicContact CG2-CD2 3.72Å; V470-D552 PolarHBondContact O-N 3.2Å; V470-A554 HydrophobicContact CB-CB 4.42Å; V470-A554 HydrophobicContact CG1-CB 3.82Å
471	S	90.9	Very high	91.6	Very high	51 Å²	51	29.1 Å²	29.1	36%	0.357	16%	0.159	S	C	.	.			trans	-86.7	162.9	-176.5	-50.1	0	0	0	0	111.7	V469 E473 Q534 D552	V469-S471 WeakPolarHBondContact CG1-OG 3.31Å; S471-E473 PolarHBondContact O-N 2.87Å; S471-Q534 PolarHBondContact O-NE2 3.41Å; S471-D552 CarbonylContact C-O 3.53Å
472	Q	87.5	Confident	91.8	Very high	80 Å²	80	28.4 Å²	28.4	37%	0.374	16%	0.156	S	C	.	.	S	Bend	trans	-55.8	-48.9	176	-176.5	176.2	15.3	0	0	112.5	D552 E553 S556	Q472-D552 WeakPolarHBondContact CA-O 3.36Å; Q472-D552 PolarHBondContact N-O 3.26Å; Q472-E553 HydrophobicContact CB-CB 4.26Å; Q472-E553 HydrophobicContact CG-CB 4.19Å; Q472-E553 PolarHBondContact NE2-OE2 2.85Å; Q472-S556 WeakPolarHBondContact CG-OG 3.22Å; Q472-S556 PolarHBondContact NE2-OG 2.75Å
473	E	83.5	Confident	92	Very high	154 Å²	154	32.6 Å²	32.6	72%	0.72	17%	0.174	S	C	*	.	S	Bend	trans	-99.9	117.1	174.3	-73	-171.5	161.8	0	0	111	S471 V475	S471-E473 PolarHBondContact O-N 2.87Å; E473-V475 PolarHBondContact O-N 3.46Å
474	P	88.7	Confident	92.1	Very high	30 Å²	30	32.7 Å²	32.7	20%	0.195	18%	0.175	C	C	.	.			trans	-75.9	114.1	178	24.9	-27.8	0	0	0	111.7	K533 Q534 A537	P474-K533 HydrophobicContact CB-CB 3.8Å; P474-K533 HydrophobicContact CG-CB 3.52Å; P474-Q534 HydrophobicContact CG-CB 4.32Å; P474-A537 HydrophobicContact CB-CB 4.09Å
475	V	90.7	Very high	92.2	Very high	32 Å²	32	32.5 Å²	32.5	19%	0.194	17%	0.174	C	C	.	.			trans	-86.2	124	173.3	-179.7	0	0	0	0	110.8	E473 F477 R540 N851 C854	E473-V475 PolarHBondContact O-N 3.46Å; V475-F477 HydrophobicContact CG1-CE1 4.29Å; V475-F477 HydrophobicContact CG1-CE2 4.49Å; V475-F477 HydrophobicContact CG1-CZ 4.22Å; V475-R540 VanDerWaalsContact O-CZ 3.26Å; V475-R540 PolarHBondContact O-NH1 3.13Å; V475-R540 PolarHBondContact O-NH2 2.85Å; V475-N851 HydrophobicContact CG1-CB 3.79Å; V475-N851 WeakPolarHBondContact CG1-OD1 3.49Å; V475-C854 HydrophobicContact CB-CB 4.28Å; V475-C854 HydrophobicContact CG2-CB 4.35Å
476	L	92.6	Very high	92.5	Very high	21 Å²	21	32.8 Å²	32.8	11%	0.11	17%	0.17	C	C	.	.			trans	-113.8	136.6	165.2	-61.7	-177.8	0	0	0	109.8	N484 V521 L528 K533 I536	L476-N484 WeakPolarHBondContact CA-OD1 3.31Å; L476-N484 HydrophobicContact CD2-CB 4.28Å; L476-V521 HydrophobicContact CD1-CB 4.35Å; L476-V521 HydrophobicContact CD1-CG2 4.22Å; L476-L528 HydrophobicContact CD1-CD1 4.09Å; L476-K533 HydrophobicContact CD1-CB 4.26Å; L476-K533 HydrophobicContact CD1-CG 3.82Å; L476-K533 HydrophobicContact CG-CG 4.41Å; L476-I536 HydrophobicContact CD1-CD1 4.12Å; L476-I536 HydrophobicContact CD2-CB 4.06Å; L476-I536 HydrophobicContact CD2-CG2 3.55Å
477	F	92.5	Very high	92.7	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.022	17%	0.168	C	C	.	.			trans	-90.2	154.3	178.3	-57.6	-82.6	0	0	0	111	V475 G479 N484 L487 E847 N851 C854 V855 L858 F864	V475-F477 HydrophobicContact CG1-CE1 4.29Å; V475-F477 HydrophobicContact CG1-CE2 4.49Å; V475-F477 HydrophobicContact CG1-CZ 4.22Å; F477-G479 PolarHBondContact O-N 3.03Å; F477-N484 PolarHBondContact N-OD1 3.18Å; F477-N484 PolarHBondContact O-ND2 3.26Å; F477-L487 HydrophobicContact CB-CD1 4.45Å; F477-L487 HydrophobicContact CD2-CD1 3.27Å; F477-L487 HydrophobicContact CE2-CD1 3.74Å; F477-L487 HydrophobicContact CG-CD1 4.11Å; F477-E847 WeakPolarHBondContact CA-OE1 3.46Å; F477-E847 WeakPolarHBondContact CB-OE1 3.17Å; F477-E847 HydrophobicContact CD1-CG 3.86Å; F477-N851 HydrophobicContact CE1-CB 3.91Å; F477-N851 HydrophobicContact CZ-CB 4.39Å; F477-C854 HydrophobicContact CZ-CB 4.29Å; F477-V855 HydrophobicContact CE1-CG2 3.79Å; F477-V855 HydrophobicContact CZ-CG2 3.73Å; F477-L858 HydrophobicContact CE2-CD1 4.35Å; F477-F864 AromaticContact CD1-CE1 3.99Å; F477-F864 HydrophobicContact CD1-CE1 3.99Å; F477-F864 HydrophobicContact CD1-CE2 4.47Å; F477-F864 AromaticContact CD1-CZ 3.46Å; F477-F864 HydrophobicContact CD1-CZ 3.46Å; F477-F864 VanDerWaalsContact CD1-CZ 3.46Å; F477-F864 HydrophobicContact CD2-CZ 4.26Å; F477-F864 HydrophobicContact CE1-CE1 4.24Å; F477-F864 HydrophobicContact CE1-CE2 4.16Å; F477-F864 AromaticContact CE1-CZ 3.52Å; F477-F864 HydrophobicContact CE1-CZ 3.52Å; F477-F864 HydrophobicContact CE2-CZ 4.31Å; F477-F864 AromaticContact CG-CZ 3.84Å; F477-F864 HydrophobicContact CG-CZ 3.84Å; F477-F864 HydrophobicContact CZ-CE2 4.22Å; F477-F864 AromaticContact CZ-CZ 3.96Å; F477-F864 HydrophobicContact CZ-CZ 3.96Å
478	D	89.8	Confident	92.6	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	17%	0.168	C	C	.	.	S	Bend	trans	-64.4	96.6	178.3	-173.4	37.6	0	0	0	110.5	R520 V521 R524 E847 W867	D478-R520 IonicContact OD1-CZ 3.9Å; D478-R520 IonicContact OD1-NE 2.62Å; D478-R520 IonicContact OD1-NH2 3.89Å; D478-R520 IonicContact OD2-CZ 2.97Å; D478-R520 IonicContact OD2-NH2 3.77Å; D478-R520 PolarHBondContact OD2-NH2 3.23Å; D478-V521 WeakPolarHBondContact CA-O 3.46Å; D478-R524 IonicContact OD2-NH1 3.24Å; D478-E847 PolarHBondContact N-OE1 3.42Å; D478-W867 WeakPolarHBondContact O-CH2 3.32Å
479	G	91	Very high	92.5	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-171.8	-171.3	0	0	0	0	0	110.6	F477 E483 R520 V521	F477-G479 PolarHBondContact O-N 3.03Å; G479-E483 WeakPolarHBondContact CA-OE2 3.24Å; G479-R520 CarbonylContact O-C 3.54Å; G479-R520 VanDerWaalsContact O-CA 3.31Å; G479-R520 WeakPolarHBondContact O-CA 3.38Å; G479-R520 WeakPolarHBondContact O-CG 3.3Å; G479-V521 PolarHBondContact N-O 2.81Å; G479-V521 VanDerWaalsContact N-O 3.15Å; G479-V521 PolarHBondContact O-N 3.48Å
480	T	94.3	Very high	92.3	Very high	27 Å²	27	36.7 Å²	36.7	17%	0.166	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	164.3	173.9	68.3	0	0	0	0	111.6	E482 E483 N484 G518 T519	T480-E482 PolarHBondContact O-N 2.94Å; T480-E483 PolarHBondContact N-OE2 3.05Å; T480-E483 PolarHBondContact O-N 3.47Å; T480-E483 WeakPolarHBondContact OG1-CB 3.44Å; T480-E483 VanDerWaalsContact OG1-CG 3.29Å; T480-E483 WeakPolarHBondContact OG1-CG 3.39Å; T480-E483 PolarHBondContact OG1-N 2.98Å; T480-N484 PolarHBondContact O-N 2.94Å; T480-N484 PolarHBondContact O-ND2 2.95Å; T480-G518 VanDerWaalsContact CG2-O 3.32Å; T480-G518 WeakPolarHBondContact CG2-O 3.5Å; T480-T519 CarbonylContact C-O 3.03Å; T480-T519 VanDerWaalsContact CA-O 3.3Å; T480-T519 WeakPolarHBondContact CA-O 3.34Å
481	V	95.3	Very high	92.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-40.4	170.5	176.3	0	0	0	0	110.2	N484 I485 V510 L513 F517 T519 V521 I536	V481-N484 PolarHBondContact O-N 2.82Å; V481-I485 HydrophobicContact CG1-CD1 4.16Å; V481-I485 WeakPolarHBondContact O-CG1 3.18Å; V481-I485 PolarHBondContact O-N 3.44Å; V481-I485 VanDerWaalsContact O-N 3.1Å; V481-V510 HydrophobicContact CB-CG1 4.44Å; V481-V510 HydrophobicContact CG1-CG1 3.88Å; V481-V510 HydrophobicContact CG1-CG2 4Å; V481-L513 HydrophobicContact CG2-CD1 4.31Å; V481-F517 HydrophobicContact CG1-CD1 4.29Å; V481-F517 PolarHBondContact N-O 2.89Å; V481-T519 PolarHBondContact N-O 3.08Å; V481-V521 HydrophobicContact CG2-CG1 3.65Å; V481-V521 HydrophobicContact CG2-CG2 4.23Å; V481-I536 HydrophobicContact CG1-CD1 4.04Å; V481-I536 HydrophobicContact CG1-CG1 4.33Å; V481-I536 HydrophobicContact CG2-CD1 4.35Å
482	E	95.9	Very high	92.3	Very high	59 Å²	59	40.4 Å²	40.4	28%	0.276	20%	0.204	S	C	.	.	H	α-helix	trans	-56.4	-53.8	173.9	-170.3	-179.7	164.1	0	0	112	T480 N484 I485 Q486 L494 I497 F517	T480-E482 PolarHBondContact O-N 2.94Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.49Å; E482-I485 PolarHBondContact O-N 3.34Å; E482-I485 VanDerWaalsContact O-N 3.15Å; E482-Q486 VanDerWaalsContact O-CB 3.3Å; E482-Q486 WeakPolarHBondContact O-CB 3.39Å; E482-Q486 PolarHBondContact O-N 2.94Å; E482-L494 VanDerWaalsContact CD-CD1 3.48Å; E482-L494 HydrophobicContact CG-CD1 4.11Å; E482-L494 WeakPolarHBondContact OE1-CD1 3.33Å; E482-I497 HydrophobicContact CG-CD1 3.76Å; E482-F517 HydrophobicContact CB-CB 4.21Å; E482-F517 PolarHBondContact N-O 2.92Å
483	E	94.2	Very high	92.7	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-40.3	-179.8	-75.2	170.9	164	0	0	111.3	G479 T480 Q486 L487	G479-E483 WeakPolarHBondContact CA-OE2 3.24Å; T480-E483 PolarHBondContact N-OE2 3.05Å; T480-E483 PolarHBondContact O-N 3.47Å; T480-E483 WeakPolarHBondContact OG1-CB 3.44Å; T480-E483 VanDerWaalsContact OG1-CG 3.29Å; T480-E483 WeakPolarHBondContact OG1-CG 3.39Å; T480-E483 PolarHBondContact OG1-N 2.98Å; E483-Q486 PolarHBondContact O-N 2.71Å; E483-L487 WeakPolarHBondContact O-CG 3.33Å; E483-L487 PolarHBondContact O-N 2.71Å
484	N	95.2	Very high	93.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-43.6	177.4	-90.5	-84.9	0	0	0	112.5	L476 F477 T480 V481 E482 L487 I536 R540	L476-N484 WeakPolarHBondContact CA-OD1 3.31Å; L476-N484 HydrophobicContact CD2-CB 4.28Å; F477-N484 PolarHBondContact N-OD1 3.18Å; F477-N484 PolarHBondContact O-ND2 3.26Å; T480-N484 PolarHBondContact O-N 2.94Å; T480-N484 PolarHBondContact O-ND2 2.95Å; V481-N484 PolarHBondContact O-N 2.82Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.49Å; N484-L487 PolarHBondContact O-N 3.16Å; N484-I536 HydrophobicContact CB-CG2 4.38Å; N484-R540 WeakPolarHBondContact O-CD 3.49Å; N484-R540 WeakPolarHBondContact O-CG 3.46Å
485	I	96.4	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-42	175.8	-62.2	170.6	0	0	0	109.9	V481 E482 L487 G488 I497 A501 F517 I536 A539 V543	V481-I485 HydrophobicContact CG1-CD1 4.16Å; V481-I485 WeakPolarHBondContact O-CG1 3.18Å; V481-I485 PolarHBondContact O-N 3.44Å; V481-I485 VanDerWaalsContact O-N 3.1Å; E482-I485 PolarHBondContact O-N 3.34Å; E482-I485 VanDerWaalsContact O-N 3.15Å; I485-L487 PolarHBondContact O-N 2.83Å; I485-L487 VanDerWaalsContact O-N 3.16Å; I485-G488 PolarHBondContact O-N 3.41Å; I485-I497 HydrophobicContact CB-CG2 4.02Å; I485-I497 HydrophobicContact CD1-CG2 3.97Å; I485-I497 HydrophobicContact CG2-CB 4.39Å; I485-I497 HydrophobicContact CG2-CG1 4.25Å; I485-I497 HydrophobicContact CG2-CG2 3.9Å; I485-A501 HydrophobicContact CD1-CB 4.4Å; I485-F517 HydrophobicContact CD1-CD1 4.45Å; I485-F517 HydrophobicContact CD1-CE1 4.04Å; I485-I536 HydrophobicContact CG1-CG2 3.99Å; I485-A539 HydrophobicContact CD1-CB 3.98Å; I485-A539 HydrophobicContact CG1-CB 4.09Å; I485-A539 HydrophobicContact CG2-CB 4.33Å; I485-V543 HydrophobicContact CG2-CB 4.15Å; I485-V543 HydrophobicContact CG2-CG1 4.29Å; I485-V543 HydrophobicContact CG2-CG2 4.36Å; I485-V543 WeakPolarHBondContact O-CG1 3.2Å
486	Q	95.4	Very high	93.7	Very high	53 Å²	53	44.1 Å²	44.1	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-21.8	-179.9	-162.3	175.7	43.7	0	0	113.4	E482 E483 G488 K489 L490 A492 I497	E482-Q486 VanDerWaalsContact O-CB 3.3Å; E482-Q486 WeakPolarHBondContact O-CB 3.39Å; E482-Q486 PolarHBondContact O-N 2.94Å; E483-Q486 PolarHBondContact O-N 2.71Å; Q486-G488 PolarHBondContact O-N 3.43Å; Q486-G488 VanDerWaalsContact O-N 3.12Å; Q486-K489 CarbonylContact O-C 3.59Å; Q486-K489 PolarHBondContact O-N 3.42Å; Q486-L490 WeakPolarHBondContact O-CA 3.37Å; Q486-L490 PolarHBondContact O-N 3.45Å; Q486-A492 PolarHBondContact NE2-O 3.12Å; Q486-I497 HydrophobicContact CB-CD1 4Å; Q486-I497 HydrophobicContact CG-CD1 4.26Å
487	L	94.6	Very high	93.8	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.1	169.6	-71.8	170.3	0	0	0	113.3	F477 E483 N484 I485 L858 R860 F864	F477-L487 HydrophobicContact CB-CD1 4.45Å; F477-L487 HydrophobicContact CD2-CD1 3.27Å; F477-L487 HydrophobicContact CE2-CD1 3.74Å; F477-L487 HydrophobicContact CG-CD1 4.11Å; E483-L487 WeakPolarHBondContact O-CG 3.33Å; E483-L487 PolarHBondContact O-N 2.71Å; N484-L487 PolarHBondContact O-N 3.16Å; I485-L487 PolarHBondContact O-N 2.83Å; I485-L487 VanDerWaalsContact O-N 3.16Å; L487-L858 HydrophobicContact CB-CD1 4.33Å; L487-R860 HydrophobicContact CD2-CB 4.42Å; L487-R860 HydrophobicContact CD2-CG 4.25Å; L487-R860 WeakPolarHBondContact O-CG 3.32Å; L487-R860 PolarHBondContact O-NE 3.19Å; L487-F864 HydrophobicContact CD2-CE2 4.49Å
488	G	92.4	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-66.6	-45.5	169.7	0	0	0	0	0	112.3	I485 Q486 R540 R544 R860	I485-G488 PolarHBondContact O-N 3.41Å; Q486-G488 PolarHBondContact O-N 3.43Å; Q486-G488 VanDerWaalsContact O-N 3.12Å; G488-R540 WeakPolarHBondContact CA-O 3.38Å; G488-R544 WeakPolarHBondContact O-CD 3.39Å; G488-R544 WeakPolarHBondContact O-CG 3.48Å; G488-R544 PolarHBondContact O-NE 3.39Å; G488-R860 PolarHBondContact O-NH2 3.23Å
489	K	93.4	Very high	94.3	Very high	56 Å²	56	50.6 Å²	50.6	24%	0.243	26%	0.255	C	S	.	.			trans	-144.8	105.5	178.7	179.5	-175.6	174	-161.5	0	109.3	Q486 D491 A492 E496 V543	Q486-K489 CarbonylContact O-C 3.59Å; Q486-K489 PolarHBondContact O-N 3.42Å; K489-D491 WeakPolarHBondContact CG-OD1 3.44Å; K489-D491 PolarHBondContact O-N 3.02Å; K489-A492 HydrophobicContact CB-CB 4.09Å; K489-A492 HydrophobicContact CD-CB 4.23Å; K489-A492 HydrophobicContact CG-CB 4.17Å; K489-A492 WeakPolarHBondContact O-CB 3.3Å; K489-A492 PolarHBondContact O-N 2.84Å; K489-E496 IonicContact NZ-OE1 3.71Å; K489-E496 PolarHBondContact NZ-OE1 3.06Å; K489-E496 IonicContact NZ-OE2 3.76Å; K489-E496 PolarHBondContact NZ-OE2 3.47Å; K489-V543 HydrophobicContact CB-CG1 3.98Å
490	L	90.4	Very high	94.5	Very high	69 Å²	69	50.7 Å²	50.7	36%	0.361	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.8	-170.1	-73	173.2	0	0	0	114	Q486 H863	Q486-L490 WeakPolarHBondContact O-CA 3.37Å; Q486-L490 PolarHBondContact O-N 3.45Å; L490-H863 HydrophobicContact CD1-CB 4.34Å
491	D	92.4	Very high	94.5	Very high	126 Å²	126	49.4 Å²	49.4	67%	0.674	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	11.1	177.5	58.5	-38.5	0	0	0	112.7	K489 T493	K489-D491 WeakPolarHBondContact CG-OD1 3.44Å; K489-D491 PolarHBondContact O-N 3.02Å; D491-T493 PolarHBondContact O-N 3.27Å
492	A	93	Very high	94.6	Very high	6 Å²	6	52.9 Å²	52.9	5%	0.05	27%	0.269	C	S	.	.			trans	-63.7	134.1	177	0	0	0	0	0	111.3	Q486 K489 E496 I497 V543	Q486-A492 PolarHBondContact NE2-O 3.12Å; K489-A492 HydrophobicContact CB-CB 4.09Å; K489-A492 HydrophobicContact CD-CB 4.23Å; K489-A492 HydrophobicContact CG-CB 4.17Å; K489-A492 WeakPolarHBondContact O-CB 3.3Å; K489-A492 PolarHBondContact O-N 2.84Å; A492-E496 VanDerWaalsContact CA-OE2 3.28Å; A492-E496 WeakPolarHBondContact CA-OE2 3.31Å; A492-E496 HydrophobicContact CB-CB 4.34Å; A492-I497 HydrophobicContact CB-CD1 4.46Å; A492-I497 HydrophobicContact CB-CG1 4.08Å; A492-V543 HydrophobicContact CB-CG2 3.89Å
493	T	94.9	Very high	94.4	Very high	77 Å²	77	54.1 Å²	54.1	47%	0.472	28%	0.277	S	S	.	.			trans	-75.1	158.5	172.4	66	0	0	0	0	110.1	D491 E495 E496 I497	D491-T493 PolarHBondContact O-N 3.27Å; T493-E495 PolarHBondContact O-N 2.74Å; T493-E496 PolarHBondContact O-N 3.33Å; T493-E496 WeakPolarHBondContact OG1-CG 3.35Å; T493-E496 PolarHBondContact OG1-N 3.33Å; T493-I497 WeakPolarHBondContact O-CG1 3.47Å; T493-I497 PolarHBondContact O-N 3.03Å
494	L	93.4	Very high	94.4	Very high	78 Å²	78	49.5 Å²	49.5	41%	0.408	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-32.3	176	-169.6	74.6	0	0	0	112	E482 I497 K498	E482-L494 VanDerWaalsContact CD-CD1 3.48Å; E482-L494 HydrophobicContact CG-CD1 4.11Å; E482-L494 WeakPolarHBondContact OE1-CD1 3.33Å; L494-I497 PolarHBondContact O-N 3.4Å; L494-K498 WeakPolarHBondContact O-CB 3.46Å; L494-K498 WeakPolarHBondContact O-CG 3.43Å; L494-K498 PolarHBondContact O-N 2.88Å
495	E	95	Very high	94.4	Very high	146 Å²	146	52 Å²	52	68%	0.682	27%	0.269	S	S	*	.	H	α-helix	trans	-67.5	-43.3	174.4	-74	-159.2	161.6	0	0	112.7	T493 I497 K498 N499	T493-E495 PolarHBondContact O-N 2.74Å; E495-I497 VanDerWaalsContact C-N 3.28Å; E495-I497 PolarHBondContact O-N 3.18Å; E495-K498 PolarHBondContact O-N 3.04Å; E495-N499 WeakPolarHBondContact O-CB 3.43Å; E495-N499 VanDerWaalsContact O-CG 3.29Å; E495-N499 PolarHBondContact O-N 3.31Å; E495-N499 PolarHBondContact O-ND2 3.49Å
496	E	95.3	Very high	94.3	Very high	72 Å²	72	52 Å²	52	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-41.2	174.3	-73.3	-178.8	168.9	0	0	111.2	K489 A492 T493 N499 A500 V543	K489-E496 IonicContact NZ-OE1 3.71Å; K489-E496 PolarHBondContact NZ-OE1 3.06Å; K489-E496 IonicContact NZ-OE2 3.76Å; K489-E496 PolarHBondContact NZ-OE2 3.47Å; A492-E496 VanDerWaalsContact CA-OE2 3.28Å; A492-E496 WeakPolarHBondContact CA-OE2 3.31Å; A492-E496 HydrophobicContact CB-CB 4.34Å; T493-E496 PolarHBondContact O-N 3.33Å; T493-E496 WeakPolarHBondContact OG1-CG 3.35Å; T493-E496 PolarHBondContact OG1-N 3.33Å; E496-N499 PolarHBondContact O-N 3.06Å; E496-A500 WeakPolarHBondContact O-CB 3.46Å; E496-A500 PolarHBondContact O-N 3.05Å; E496-V543 HydrophobicContact CB-CG2 4.29Å
497	I	96.1	Very high	94.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-46.3	176.5	-67.4	172.3	0	0	0	110.9	E482 I485 Q486 A492 T493 L494 E495 A500 A501 F517 V543	E482-I497 HydrophobicContact CG-CD1 3.76Å; I485-I497 HydrophobicContact CB-CG2 4.02Å; I485-I497 HydrophobicContact CD1-CG2 3.97Å; I485-I497 HydrophobicContact CG2-CB 4.39Å; I485-I497 HydrophobicContact CG2-CG1 4.25Å; I485-I497 HydrophobicContact CG2-CG2 3.9Å; Q486-I497 HydrophobicContact CB-CD1 4Å; Q486-I497 HydrophobicContact CG-CD1 4.26Å; A492-I497 HydrophobicContact CB-CD1 4.46Å; A492-I497 HydrophobicContact CB-CG1 4.08Å; T493-I497 WeakPolarHBondContact O-CG1 3.47Å; T493-I497 PolarHBondContact O-N 3.03Å; L494-I497 PolarHBondContact O-N 3.4Å; E495-I497 VanDerWaalsContact C-N 3.28Å; E495-I497 PolarHBondContact O-N 3.18Å; I497-A500 PolarHBondContact O-N 3.07Å; I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.27Å; I497-F517 HydrophobicContact CG2-CD1 4.02Å; I497-F517 HydrophobicContact CG2-CE1 3.93Å; I497-V543 HydrophobicContact CG1-CG2 4.35Å
498	K	96.1	Very high	94.2	Very high	80 Å²	80	58.2 Å²	58.2	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177	-76.4	177.9	177.8	-177.6	0	111.6	L494 E495 A500 A501 V502 F507 F517	L494-K498 WeakPolarHBondContact O-CB 3.46Å; L494-K498 WeakPolarHBondContact O-CG 3.43Å; L494-K498 PolarHBondContact O-N 2.88Å; E495-K498 PolarHBondContact O-N 3.04Å; K498-A500 PolarHBondContact O-N 3.38Å; K498-A501 CarbonylContact O-C 3.41Å; K498-A501 WeakPolarHBondContact O-CB 3.42Å; K498-A501 PolarHBondContact O-N 2.85Å; K498-A501 VanDerWaalsContact O-N 3.15Å; K498-V502 WeakPolarHBondContact O-CG2 3.37Å; K498-V502 PolarHBondContact O-N 3.15Å; K498-F507 HydrophobicContact CB-CD2 4.37Å; K498-F507 HydrophobicContact CB-CE2 4.19Å; K498-F507 HydrophobicContact CD-CE2 4.17Å; K498-F507 HydrophobicContact CG-CD2 4.45Å; K498-F507 HydrophobicContact CG-CE2 4Å; K498-F517 HydrophobicContact CG-CE2 3.95Å; K498-F517 HydrophobicContact CG-CZ 4.04Å
499	N	95.2	Very high	94.2	Very high	100 Å²	100	59.5 Å²	59.5	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-41.9	177.7	-73.2	-18.1	0	0	0	111.7	E495 E496 A501 V502 L503	E495-N499 WeakPolarHBondContact O-CB 3.43Å; E495-N499 VanDerWaalsContact O-CG 3.29Å; E495-N499 PolarHBondContact O-N 3.31Å; E495-N499 PolarHBondContact O-ND2 3.49Å; E496-N499 PolarHBondContact O-N 3.06Å; N499-A501 VanDerWaalsContact C-N 3.31Å; N499-A501 PolarHBondContact O-N 3.31Å; N499-V502 PolarHBondContact O-N 3.12Å; N499-L503 WeakPolarHBondContact O-CG 3.29Å; N499-L503 PolarHBondContact O-N 3.5Å
500	A	95.5	Very high	94.2	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-38.6	173.5	0	0	0	0	0	111.9	E496 I497 K498 L503 A504 A539 L542 V543	E496-A500 WeakPolarHBondContact O-CB 3.46Å; E496-A500 PolarHBondContact O-N 3.05Å; I497-A500 PolarHBondContact O-N 3.07Å; K498-A500 PolarHBondContact O-N 3.38Å; A500-L503 PolarHBondContact O-N 2.89Å; A500-A504 WeakPolarHBondContact O-CB 3.5Å; A500-A504 PolarHBondContact O-N 3.16Å; A500-A539 HydrophobicContact CB-CB 4.5Å; A500-L542 HydrophobicContact CB-CB 4.29Å; A500-V543 HydrophobicContact CB-CB 3.91Å; A500-V543 HydrophobicContact CB-CG2 4.06Å
501	A	95.6	Very high	94.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-33.5	174.8	0	0	0	0	0	112.9	I485 I497 K498 N499 A504 N505 A506 F507 F517	I485-A501 HydrophobicContact CD1-CB 4.4Å; I497-A501 WeakPolarHBondContact O-CB 3.34Å; I497-A501 PolarHBondContact O-N 3.27Å; K498-A501 CarbonylContact O-C 3.41Å; K498-A501 WeakPolarHBondContact O-CB 3.42Å; K498-A501 PolarHBondContact O-N 2.85Å; K498-A501 VanDerWaalsContact O-N 3.15Å; N499-A501 VanDerWaalsContact C-N 3.31Å; N499-A501 PolarHBondContact O-N 3.31Å; A501-A504 PolarHBondContact O-N 2.92Å; A501-N505 PolarHBondContact O-N 2.98Å; A501-A506 HydrophobicContact CB-CB 4.18Å; A501-A506 WeakPolarHBondContact O-CA 3.46Å; A501-A506 PolarHBondContact O-N 2.69Å; A501-F507 HydrophobicContact CB-CB 4.38Å; A501-F507 PolarHBondContact O-N 3.07Å; A501-F507 VanDerWaalsContact O-N 3.08Å; A501-F517 HydrophobicContact CB-CE1 3.88Å; A501-F517 HydrophobicContact CB-CZ 3.76Å
502	V	95.7	Very high	94.3	Very high	74 Å²	74	54 Å²	54	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-49.7	173.1	170.6	0	0	0	0	110.1	K498 N499 A504 N505 F507	K498-V502 WeakPolarHBondContact O-CG2 3.37Å; K498-V502 PolarHBondContact O-N 3.15Å; N499-V502 PolarHBondContact O-N 3.12Å; V502-A504 PolarHBondContact O-N 3.07Å; V502-N505 PolarHBondContact O-N 2.88Å; V502-F507 HydrophobicContact CB-CB 4.44Å; V502-F507 HydrophobicContact CG2-CB 3.65Å; V502-F507 HydrophobicContact CG2-CD1 4.37Å; V502-F507 HydrophobicContact CG2-CD2 3.91Å; V502-F507 HydrophobicContact CG2-CG 3.72Å
503	L	92.7	Very high	94.2	Very high	84 Å²	84	54.2 Å²	54.2	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-29.6	177.7	-70	172.1	0	0	0	113.1	N499 A500 N505 L542	N499-L503 WeakPolarHBondContact O-CG 3.29Å; N499-L503 PolarHBondContact O-N 3.5Å; A500-L503 PolarHBondContact O-N 2.89Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-L542 HydrophobicContact CB-CD1 3.74Å
504	A	94.6	Very high	93.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	8.6	177.1	0	0	0	0	0	114.2	A500 A501 V502 A506 R535 I538 A539 L542 A569	A500-A504 WeakPolarHBondContact O-CB 3.5Å; A500-A504 PolarHBondContact O-N 3.16Å; A501-A504 PolarHBondContact O-N 2.92Å; V502-A504 PolarHBondContact O-N 3.07Å; A504-A506 HydrophobicContact CB-CB 4.4Å; A504-A506 PolarHBondContact O-N 3.31Å; A504-R535 WeakPolarHBondContact CB-O 3.41Å; A504-R535 WeakPolarHBondContact O-CB 3.33Å; A504-R535 WeakPolarHBondContact O-CD 3.5Å; A504-R535 WeakPolarHBondContact O-CG 3.44Å; A504-I538 HydrophobicContact CB-CB 4.09Å; A504-I538 HydrophobicContact CB-CG2 3.81Å; A504-A539 HydrophobicContact CB-CB 3.79Å; A504-L542 HydrophobicContact CB-CD1 4.26Å; A504-A569 WeakPolarHBondContact O-CB 3.35Å
505	N	94.1	Very high	93.7	Very high	55 Å²	55	58.8 Å²	58.8	29%	0.294	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	26.7	-171.6	-73.3	-15.2	0	0	0	113.7	A501 V502 L503 R535 V565 E568 A569	A501-N505 PolarHBondContact O-N 2.98Å; V502-N505 PolarHBondContact O-N 2.88Å; L503-N505 VanDerWaalsContact C-N 3.33Å; N505-R535 WeakPolarHBondContact O-CD 3.45Å; N505-R535 PolarHBondContact O-NH1 2.67Å; N505-V565 HydrophobicContact CB-CG1 4.26Å; N505-E568 PolarHBondContact ND2-OE2 2.83Å; N505-A569 HydrophobicContact CB-CB 4.28Å
506	A	94.5	Very high	93.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.			trans	-93.4	-25.5	-179.4	0	0	0	0	0	113	A501 A504 N508 F509 V510 R535	A501-A506 HydrophobicContact CB-CB 4.18Å; A501-A506 WeakPolarHBondContact O-CA 3.46Å; A501-A506 PolarHBondContact O-N 2.69Å; A504-A506 HydrophobicContact CB-CB 4.4Å; A504-A506 PolarHBondContact O-N 3.31Å; A506-N508 PolarHBondContact O-N 3.01Å; A506-F509 HydrophobicContact CB-CD1 4.35Å; A506-F509 HydrophobicContact CB-CE1 3.7Å; A506-F509 HydrophobicContact CB-CZ 4.49Å; A506-F509 WeakPolarHBondContact O-CD1 3.34Å; A506-F509 PolarHBondContact O-N 2.9Å; A506-V510 HydrophobicContact CB-CG2 4.33Å; A506-V510 WeakPolarHBondContact O-CB 3.43Å; A506-V510 VanDerWaalsContact O-CG2 3.23Å; A506-V510 WeakPolarHBondContact O-CG2 3.17Å; A506-V510 PolarHBondContact O-N 3.5Å; A506-R535 HydrophobicContact CB-CB 4.11Å
507	F	95.2	Very high	93.6	Very high	63 Å²	63	50 Å²	50	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-55.4	-45.7	-170.7	-175.9	-93.1	0	0	0	113.8	K498 A501 V502 S511 F517	K498-F507 HydrophobicContact CB-CD2 4.37Å; K498-F507 HydrophobicContact CB-CE2 4.19Å; K498-F507 HydrophobicContact CD-CE2 4.17Å; K498-F507 HydrophobicContact CG-CD2 4.45Å; K498-F507 HydrophobicContact CG-CE2 4Å; A501-F507 HydrophobicContact CB-CB 4.38Å; A501-F507 PolarHBondContact O-N 3.07Å; A501-F507 VanDerWaalsContact O-N 3.08Å; V502-F507 HydrophobicContact CB-CB 4.44Å; V502-F507 HydrophobicContact CG2-CB 3.65Å; V502-F507 HydrophobicContact CG2-CD1 4.37Å; V502-F507 HydrophobicContact CG2-CD2 3.91Å; V502-F507 HydrophobicContact CG2-CG 3.72Å; F507-S511 VanDerWaalsContact O-CB 3.26Å; F507-S511 WeakPolarHBondContact O-CB 3.38Å; F507-S511 PolarHBondContact O-N 3.33Å; F507-S511 PolarHBondContact O-OG 3.1Å; F507-F517 HydrophobicContact CD2-CE2 4.02Å; F507-F517 HydrophobicContact CD2-CZ 4Å; F507-F517 HydrophobicContact CE2-CE2 4.07Å; F507-F517 HydrophobicContact CE2-CZ 4.46Å
508	N	92.1	Very high	93.5	Very high	132 Å²	132	51.4 Å²	51.4	71%	0.706	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-49.6	-175.8	-67.6	-12.8	0	0	0	111.9	A506 S511 A512	A506-N508 PolarHBondContact O-N 3.01Å; N508-S511 PolarHBondContact O-N 3.48Å; N508-A512 PolarHBondContact O-N 3.18Å; N508-A512 VanDerWaalsContact O-N 3.15Å
509	F	92.8	Very high	93.3	Very high	27 Å²	27	47.9 Å²	47.9	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-72.1	-35.9	-178.8	91.5	-98.7	0	0	0	111.7	A506 S511 A512 L513 L528 Q532 R535 I536	A506-F509 HydrophobicContact CB-CD1 4.35Å; A506-F509 HydrophobicContact CB-CE1 3.7Å; A506-F509 HydrophobicContact CB-CZ 4.49Å; A506-F509 WeakPolarHBondContact O-CD1 3.34Å; A506-F509 PolarHBondContact O-N 2.9Å; F509-S511 VanDerWaalsContact C-N 3.31Å; F509-S511 PolarHBondContact O-N 2.86Å; F509-A512 PolarHBondContact O-N 3.39Å; F509-L513 PolarHBondContact O-N 3.42Å; F509-L528 HydrophobicContact CE2-CD1 4.42Å; F509-L528 HydrophobicContact CE2-CD2 4.39Å; F509-Q532 HydrophobicContact CD1-CG 4.42Å; F509-Q532 HydrophobicContact CD2-CB 4.45Å; F509-Q532 HydrophobicContact CD2-CG 3.91Å; F509-Q532 HydrophobicContact CE1-CB 4.32Å; F509-Q532 HydrophobicContact CE1-CG 4.26Å; F509-Q532 HydrophobicContact CE2-CB 3.79Å; F509-Q532 HydrophobicContact CE2-CG 3.76Å; F509-Q532 HydrophobicContact CG-CG 4.25Å; F509-Q532 HydrophobicContact CZ-CB 3.71Å; F509-Q532 HydrophobicContact CZ-CG 3.94Å; F509-R535 HydrophobicContact CE1-CB 4.29Å; F509-I536 HydrophobicContact CE2-CD1 4.48Å; F509-I536 HydrophobicContact CZ-CD1 3.99Å; F509-I536 HydrophobicContact CZ-CG1 3.98Å
510	V	94.2	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-40.5	176.6	172.4	0	0	0	0	110.1	V481 A506 A512 L513 G516 F517	V481-V510 HydrophobicContact CB-CG1 4.44Å; V481-V510 HydrophobicContact CG1-CG1 3.88Å; V481-V510 HydrophobicContact CG1-CG2 4Å; A506-V510 HydrophobicContact CB-CG2 4.33Å; A506-V510 WeakPolarHBondContact O-CB 3.43Å; A506-V510 VanDerWaalsContact O-CG2 3.23Å; A506-V510 WeakPolarHBondContact O-CG2 3.17Å; A506-V510 PolarHBondContact O-N 3.5Å; V510-A512 VanDerWaalsContact C-N 3.25Å; V510-A512 PolarHBondContact O-N 3.08Å; V510-L513 WeakPolarHBondContact O-CB 3.13Å; V510-L513 PolarHBondContact O-N 2.98Å; V510-L513 VanDerWaalsContact O-N 3.15Å; V510-G516 CarbonylContact O-C 3.51Å; V510-G516 VanDerWaalsContact O-CA 3.23Å; V510-G516 WeakPolarHBondContact O-CA 3.45Å; V510-F517 HydrophobicContact CG1-CB 4.48Å; V510-F517 HydrophobicContact CG1-CD1 3.84Å; V510-F517 HydrophobicContact CG1-CD2 3.87Å; V510-F517 HydrophobicContact CG1-CE1 3.93Å; V510-F517 HydrophobicContact CG1-CE2 3.95Å; V510-F517 HydrophobicContact CG1-CG 3.81Å; V510-F517 HydrophobicContact CG1-CZ 3.98Å
511	S	91.8	Very high	93.1	Very high	58 Å²	58	48.7 Å²	48.7	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-25.2	176.9	-57.6	0	0	0	0	113.2	F507 N508 F509 L513	F507-S511 VanDerWaalsContact O-CB 3.26Å; F507-S511 WeakPolarHBondContact O-CB 3.38Å; F507-S511 PolarHBondContact O-N 3.33Å; F507-S511 PolarHBondContact O-OG 3.1Å; N508-S511 PolarHBondContact O-N 3.48Å; F509-S511 VanDerWaalsContact C-N 3.31Å; F509-S511 PolarHBondContact O-N 2.86Å; S511-L513 VanDerWaalsContact C-N 3.31Å
512	A	92.1	Very high	92.5	Very high	76 Å²	76	49.5 Å²	49.5	63%	0.628	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.7	174	0	0	0	0	0	113.6	N508 F509 V510	N508-A512 PolarHBondContact O-N 3.18Å; N508-A512 VanDerWaalsContact O-N 3.15Å; F509-A512 PolarHBondContact O-N 3.39Å; V510-A512 VanDerWaalsContact C-N 3.25Å; V510-A512 PolarHBondContact O-N 3.08Å
513	L	91.5	Very high	91.4	Very high	12 Å²	12	54 Å²	54	6%	0.063	30%	0.3	C	S	.	.	S	Bend	trans	-69.4	152.1	174.6	-66.3	171.4	0	0	0	110.9	V481 F509 V510 S511 Q515 G516 T519 L528	V481-L513 HydrophobicContact CG2-CD1 4.31Å; F509-L513 PolarHBondContact O-N 3.42Å; V510-L513 WeakPolarHBondContact O-CB 3.13Å; V510-L513 PolarHBondContact O-N 2.98Å; V510-L513 VanDerWaalsContact O-N 3.15Å; S511-L513 VanDerWaalsContact C-N 3.31Å; L513-Q515 PolarHBondContact O-N 2.96Å; L513-G516 PolarHBondContact O-N 3.4Å; L513-T519 HydrophobicContact CB-CG2 4.21Å; L513-T519 VanDerWaalsContact CB-OG1 3.3Å; L513-T519 WeakPolarHBondContact CB-OG1 3.41Å; L513-T519 HydrophobicContact CD1-CG2 4.09Å; L513-L528 HydrophobicContact CD1-CD2 4.42Å; L513-L528 HydrophobicContact CD2-CD2 4.3Å
514	P	87.2	Confident	90.4	Very high	110 Å²	110	54.3 Å²	54.3	71%	0.714	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.1	-173	-26.9	33.4	0	0	0	115.4
515	Q	90.6	Very high	89.6	Confident	140 Å²	140	55.3 Å²	55.3	65%	0.654	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	17	178.1	-62.7	-173.9	-3.1	0	0	112.6	L513 F517 G518 T519	L513-Q515 PolarHBondContact O-N 2.96Å; Q515-F517 PolarHBondContact O-N 3.06Å; Q515-G518 WeakPolarHBondContact O-CA 3.35Å; Q515-G518 PolarHBondContact O-N 3.15Å; Q515-T519 PolarHBondContact N-OG1 3.37Å
516	G	92.8	Very high	89	Confident	16 Å²	16	55.8 Å²	55.8	17%	0.165	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	56.4	-129.8	-176.8	0	0	0	0	0	112.1	V510 L513 G518 T519	V510-G516 CarbonylContact O-C 3.51Å; V510-G516 VanDerWaalsContact O-CA 3.23Å; V510-G516 WeakPolarHBondContact O-CA 3.45Å; L513-G516 PolarHBondContact O-N 3.4Å; G516-G518 VanDerWaalsContact C-N 3.25Å; G516-G518 PolarHBondContact O-N 3.22Å; G516-T519 PolarHBondContact N-OG1 3.33Å; G516-T519 VanDerWaalsContact O-CB 3.24Å; G516-T519 WeakPolarHBondContact O-CB 3.29Å; G516-T519 PolarHBondContact O-N 2.83Å; G516-T519 VanDerWaalsContact O-N 3.15Å; G516-T519 PolarHBondContact O-OG1 3.47Å
517	F	94.3	Very high	88.5	Confident	19 Å²	19	62 Å²	62	8%	0.083	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.4	-22.2	174.5	-75.6	-90.9	0	0	0	114.4	V481 E482 I485 I497 K498 A501 F507 V510 Q515 T519	V481-F517 HydrophobicContact CG1-CD1 4.29Å; V481-F517 PolarHBondContact N-O 2.89Å; E482-F517 HydrophobicContact CB-CB 4.21Å; E482-F517 PolarHBondContact N-O 2.92Å; I485-F517 HydrophobicContact CD1-CD1 4.45Å; I485-F517 HydrophobicContact CD1-CE1 4.04Å; I497-F517 HydrophobicContact CG2-CD1 4.02Å; I497-F517 HydrophobicContact CG2-CE1 3.93Å; K498-F517 HydrophobicContact CG-CE2 3.95Å; K498-F517 HydrophobicContact CG-CZ 4.04Å; A501-F517 HydrophobicContact CB-CE1 3.88Å; A501-F517 HydrophobicContact CB-CZ 3.76Å; F507-F517 HydrophobicContact CD2-CE2 4.02Å; F507-F517 HydrophobicContact CD2-CZ 4Å; F507-F517 HydrophobicContact CE2-CE2 4.07Å; F507-F517 HydrophobicContact CE2-CZ 4.46Å; V510-F517 HydrophobicContact CG1-CB 4.48Å; V510-F517 HydrophobicContact CG1-CD1 3.84Å; V510-F517 HydrophobicContact CG1-CD2 3.87Å; V510-F517 HydrophobicContact CG1-CE1 3.93Å; V510-F517 HydrophobicContact CG1-CE2 3.95Å; V510-F517 HydrophobicContact CG1-CG 3.81Å; V510-F517 HydrophobicContact CG1-CZ 3.98Å; Q515-F517 PolarHBondContact O-N 3.06Å; F517-T519 PolarHBondContact O-N 3.36Å
518	G	94	Very high	88.1	Confident	28 Å²	28	59.6 Å²	59.6	29%	0.289	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-76.1	-7.2	174.5	0	0	0	0	0	113.7	T480 Q515 G516 R520	T480-G518 VanDerWaalsContact CG2-O 3.32Å; T480-G518 WeakPolarHBondContact CG2-O 3.5Å; Q515-G518 WeakPolarHBondContact O-CA 3.35Å; Q515-G518 PolarHBondContact O-N 3.15Å; G516-G518 VanDerWaalsContact C-N 3.25Å; G516-G518 PolarHBondContact O-N 3.22Å; G518-R520 PolarHBondContact O-N 2.71Å
519	T	93.6	Very high	88	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.037	31%	0.311	C	S	.	.			trans	-61.3	129.5	179.7	-55	0	0	0	0	110.4	T480 V481 L513 Q515 G516 F517 V526	T480-T519 CarbonylContact C-O 3.03Å; T480-T519 VanDerWaalsContact CA-O 3.3Å; T480-T519 WeakPolarHBondContact CA-O 3.34Å; V481-T519 PolarHBondContact N-O 3.08Å; L513-T519 HydrophobicContact CB-CG2 4.21Å; L513-T519 VanDerWaalsContact CB-OG1 3.3Å; L513-T519 WeakPolarHBondContact CB-OG1 3.41Å; L513-T519 HydrophobicContact CD1-CG2 4.09Å; Q515-T519 PolarHBondContact N-OG1 3.37Å; G516-T519 PolarHBondContact N-OG1 3.33Å; G516-T519 VanDerWaalsContact O-CB 3.24Å; G516-T519 WeakPolarHBondContact O-CB 3.29Å; G516-T519 PolarHBondContact O-N 2.83Å; G516-T519 VanDerWaalsContact O-N 3.15Å; G516-T519 PolarHBondContact O-OG1 3.47Å; F517-T519 PolarHBondContact O-N 3.36Å; T519-V526 HydrophobicContact CG2-CB 4.4Å; T519-V526 HydrophobicContact CG2-CG2 3.88Å
520	R	92.8	Very high	87.7	Confident	123 Å²	123	55.9 Å²	55.9	46%	0.464	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.6	179.5	-145.3	173.6	176.8	-150.9	-13.9	110.6	D478 G479 G518 G525 V526	D478-R520 IonicContact OD1-CZ 3.9Å; D478-R520 IonicContact OD1-NE 2.62Å; D478-R520 IonicContact OD1-NH2 3.89Å; D478-R520 IonicContact OD2-CZ 2.97Å; D478-R520 IonicContact OD2-NH2 3.77Å; D478-R520 PolarHBondContact OD2-NH2 3.23Å; G479-R520 CarbonylContact O-C 3.54Å; G479-R520 VanDerWaalsContact O-CA 3.31Å; G479-R520 WeakPolarHBondContact O-CA 3.38Å; G479-R520 WeakPolarHBondContact O-CG 3.3Å; G518-R520 PolarHBondContact O-N 2.71Å; R520-G525 CarbonylContact O-C 3.55Å; R520-G525 WeakPolarHBondContact O-CA 3.18Å; R520-V526 PolarHBondContact O-N 3.22Å
521	V	92	Very high	87.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.7	-178.8	-66	0	0	0	0	110	L476 D478 G479 V481 L528	L476-V521 HydrophobicContact CD1-CB 4.35Å; L476-V521 HydrophobicContact CD1-CG2 4.22Å; D478-V521 WeakPolarHBondContact CA-O 3.46Å; G479-V521 PolarHBondContact N-O 2.81Å; G479-V521 VanDerWaalsContact N-O 3.15Å; G479-V521 PolarHBondContact O-N 3.48Å; V481-V521 HydrophobicContact CG2-CG1 3.65Å; V481-V521 HydrophobicContact CG2-CG2 4.23Å; V521-L528 HydrophobicContact CG1-CD1 3.76Å; V521-L528 HydrophobicContact CG1-CG 4.16Å
522	G	83.3	Confident	87.5	Confident	16 Å²	16	55.5 Å²	55.5	17%	0.165	31%	0.314	C	S	.	.	S	Bend	trans	105	-161.7	-174	0	0	0	0	0	111.6	R524 G525	G522-R524 VanDerWaalsContact C-N 3.26Å; G522-R524 PolarHBondContact O-N 3.25Å; G522-G525 PolarHBondContact O-N 3.48Å; G522-G525 VanDerWaalsContact O-N 3.13Å
523	E	73.2	Confident	87.5	Confident	169 Å²	169	54.6 Å²	54.6	79%	0.79	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.2	-171	-156.6	-177.6	-156.9	0	0	113.5
524	R	71.2	Confident	87.6	Confident	90 Å²	90	54.1 Å²	54.1	34%	0.34	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-3.3	176.3	-63.5	-170.4	175.2	113.5	34.5	114.6	D478 G522	D478-R524 IonicContact OD2-NH1 3.24Å; G522-R524 VanDerWaalsContact C-N 3.26Å; G522-R524 PolarHBondContact O-N 3.25Å
525	G	78.1	Confident	87.9	Confident	21 Å²	21	50.5 Å²	50.5	22%	0.216	27%	0.265	C	S	.	.	S	Bend	trans	-96.1	-167.2	-175.3	0	0	0	0	0	112.6	R520 G522 Q527	R520-G525 CarbonylContact O-C 3.55Å; R520-G525 WeakPolarHBondContact O-CA 3.18Å; G522-G525 PolarHBondContact O-N 3.48Å; G522-G525 VanDerWaalsContact O-N 3.13Å; G525-Q527 PolarHBondContact O-N 3.43Å
526	V	81.8	Confident	88.2	Confident	65 Å²	65	43.9 Å²	43.9	39%	0.394	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-64.8	130	168.6	179.6	0	0	0	0	109	T519 R520 L528	T519-V526 HydrophobicContact CG2-CB 4.4Å; T519-V526 HydrophobicContact CG2-CG2 3.88Å; R520-V526 PolarHBondContact O-N 3.22Å; V526-L528 HydrophobicContact CG1-CD2 4.31Å; V526-L528 PolarHBondContact O-N 3.03Å
527	Q	83.8	Confident	88.2	Confident	132 Å²	132	43.3 Å²	43.3	62%	0.617	23%	0.228	S	C	*	.			trans	-76.8	115.4	171.8	-71.9	-84.6	-12.2	0	0	108.7	G525	G525-Q527 PolarHBondContact O-N 3.43Å
528	L	87.5	Confident	88.3	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.063	23%	0.225	C	C	.	.			trans	-92.7	154.9	176	-63.1	178.4	0	0	0	111.2	L476 F509 L513 V521 V526 Q532 K533 I536	L476-L528 HydrophobicContact CD1-CD1 4.09Å; F509-L528 HydrophobicContact CE2-CD1 4.42Å; F509-L528 HydrophobicContact CE2-CD2 4.39Å; L513-L528 HydrophobicContact CD1-CD2 4.42Å; L513-L528 HydrophobicContact CD2-CD2 4.3Å; V521-L528 HydrophobicContact CG1-CD1 3.76Å; V521-L528 HydrophobicContact CG1-CG 4.16Å; V526-L528 HydrophobicContact CG1-CD2 4.31Å; V526-L528 PolarHBondContact O-N 3.03Å; L528-Q532 HydrophobicContact CB-CB 4Å; L528-K533 HydrophobicContact CB-CG 3.86Å; L528-K533 WeakPolarHBondContact O-CE 3.33Å; L528-I536 HydrophobicContact CD1-CD1 3.38Å
529	S	88.5	Confident	88.4	Confident	46 Å²	46	41.1 Å²	41.1	32%	0.322	21%	0.211	S	C	.	.			trans	-63.9	160.2	173.6	81.7	0	0	0	0	111.7	G531 Q532 K533	S529-G531 VanDerWaalsContact C-N 3.29Å; S529-G531 PolarHBondContact O-N 3.19Å; S529-Q532 PolarHBondContact O-N 3.17Å; S529-Q532 WeakPolarHBondContact OG-CG 3.3Å; S529-Q532 PolarHBondContact OG-N 3.32Å; S529-K533 WeakPolarHBondContact O-CG 3.42Å; S529-K533 PolarHBondContact O-N 3.37Å
530	G	87.1	Confident	88.5	Confident	34 Å²	34	41.6 Å²	41.6	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-53	-47.3	176.6	0	0	0	0	0	112	Q532 K533 Q534	G530-Q532 PolarHBondContact O-N 3.27Å; G530-K533 PolarHBondContact O-N 3.26Å; G530-Q534 WeakPolarHBondContact O-CB 3.31Å; G530-Q534 PolarHBondContact O-N 2.94Å
531	G	89.2	Confident	88.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-37.1	178.7	0	0	0	0	0	114	S529 Q534 R535 L558	S529-G531 VanDerWaalsContact C-N 3.29Å; S529-G531 PolarHBondContact O-N 3.19Å; G531-Q534 PolarHBondContact O-N 2.82Å; G531-R535 WeakPolarHBondContact O-CG 3.02Å; G531-R535 PolarHBondContact O-N 3.33Å; G531-L558 VanDerWaalsContact CA-CD2 3.46Å
532	Q	92.2	Very high	88.7	Confident	51 Å²	51	36.5 Å²	36.5	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-44.4	174.1	-74.2	172.1	-13.2	0	0	111.7	F509 L528 S529 G530 Q534 R535 I536	F509-Q532 HydrophobicContact CD1-CG 4.42Å; F509-Q532 HydrophobicContact CD2-CB 4.45Å; F509-Q532 HydrophobicContact CD2-CG 3.91Å; F509-Q532 HydrophobicContact CE1-CB 4.32Å; F509-Q532 HydrophobicContact CE1-CG 4.26Å; F509-Q532 HydrophobicContact CE2-CB 3.79Å; F509-Q532 HydrophobicContact CE2-CG 3.76Å; F509-Q532 HydrophobicContact CG-CG 4.25Å; F509-Q532 HydrophobicContact CZ-CB 3.71Å; F509-Q532 HydrophobicContact CZ-CG 3.94Å; L528-Q532 HydrophobicContact CB-CB 4Å; S529-Q532 PolarHBondContact O-N 3.17Å; S529-Q532 WeakPolarHBondContact OG-CG 3.3Å; S529-Q532 PolarHBondContact OG-N 3.32Å; G530-Q532 PolarHBondContact O-N 3.27Å; Q532-Q534 VanDerWaalsContact C-N 3.3Å; Q532-Q534 PolarHBondContact O-N 3.15Å; Q532-R535 PolarHBondContact O-N 3.15Å; Q532-I536 WeakPolarHBondContact O-CG1 3.5Å; Q532-I536 PolarHBondContact O-N 3.17Å; Q532-I536 VanDerWaalsContact O-N 3.13Å
533	K	93.2	Very high	89.2	Confident	57 Å²	57	36.2 Å²	36.2	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-42	175	-68.1	178.3	176.6	167	0	111.1	P474 L476 L528 S529 G530 I536 A537	P474-K533 HydrophobicContact CB-CB 3.8Å; P474-K533 HydrophobicContact CG-CB 3.52Å; L476-K533 HydrophobicContact CD1-CB 4.26Å; L476-K533 HydrophobicContact CD1-CG 3.82Å; L476-K533 HydrophobicContact CG-CG 4.41Å; L528-K533 HydrophobicContact CB-CG 3.86Å; L528-K533 WeakPolarHBondContact O-CE 3.33Å; S529-K533 WeakPolarHBondContact O-CG 3.42Å; S529-K533 PolarHBondContact O-N 3.37Å; G530-K533 PolarHBondContact O-N 3.26Å; K533-I536 PolarHBondContact O-N 3.12Å; K533-A537 PolarHBondContact O-N 3.15Å
534	Q	93.1	Very high	90	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-44.8	178.4	-157.5	68.6	-7.2	0	0	111.6	S471 P474 G530 G531 Q532 I536 A537 I538 A554 L558 V566	S471-Q534 PolarHBondContact O-NE2 3.41Å; P474-Q534 HydrophobicContact CG-CB 4.32Å; G530-Q534 WeakPolarHBondContact O-CB 3.31Å; G530-Q534 PolarHBondContact O-N 2.94Å; G531-Q534 PolarHBondContact O-N 2.82Å; Q532-Q534 VanDerWaalsContact C-N 3.3Å; Q532-Q534 PolarHBondContact O-N 3.15Å; Q534-I536 VanDerWaalsContact C-N 3.34Å; Q534-I536 PolarHBondContact O-N 2.94Å; Q534-A537 CarbonylContact O-C 3.56Å; Q534-A537 WeakPolarHBondContact O-CA 3.36Å; Q534-A537 WeakPolarHBondContact O-CB 3.22Å; Q534-A537 PolarHBondContact O-N 3.35Å; Q534-A537 VanDerWaalsContact O-N 3.1Å; Q534-I538 WeakPolarHBondContact O-CG1 3.44Å; Q534-I538 PolarHBondContact O-N 2.66Å; Q534-A554 WeakPolarHBondContact CG-O 3.08Å; Q534-A554 PolarHBondContact NE2-O 3.49Å; Q534-L558 HydrophobicContact CB-CD2 4.44Å; Q534-L558 HydrophobicContact CG-CD1 4.4Å; Q534-V566 HydrophobicContact CB-CG1 4.46Å; Q534-V566 HydrophobicContact CB-CG2 4.25Å; Q534-V566 HydrophobicContact CG-CG1 3.92Å
535	R	94.2	Very high	91	Very high	35 Å²	35	30.8 Å²	30.8	13%	0.132	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-37.9	175.5	-72.9	-173.3	-73.5	179	-12	113.2	A504 N505 A506 F509 G531 Q532 I538 A539 V566	A504-R535 WeakPolarHBondContact CB-O 3.41Å; A504-R535 WeakPolarHBondContact O-CB 3.33Å; A504-R535 WeakPolarHBondContact O-CD 3.5Å; A504-R535 WeakPolarHBondContact O-CG 3.44Å; N505-R535 WeakPolarHBondContact O-CD 3.45Å; N505-R535 PolarHBondContact O-NH1 2.67Å; A506-R535 HydrophobicContact CB-CB 4.11Å; F509-R535 HydrophobicContact CE1-CB 4.29Å; G531-R535 WeakPolarHBondContact O-CG 3.02Å; G531-R535 PolarHBondContact O-N 3.33Å; Q532-R535 PolarHBondContact O-N 3.15Å; R535-I538 PolarHBondContact O-N 3.32Å; R535-A539 PolarHBondContact O-N 3.26Å; R535-V566 HydrophobicContact CG-CG2 3.91Å
536	I	95.4	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-39.5	173.4	-64.7	168.9	0	0	0	110.8	L476 V481 N484 I485 F509 L528 Q532 K533 Q534 I538 A539 R540	L476-I536 HydrophobicContact CD1-CD1 4.12Å; L476-I536 HydrophobicContact CD2-CB 4.06Å; L476-I536 HydrophobicContact CD2-CG2 3.55Å; V481-I536 HydrophobicContact CG1-CD1 4.04Å; V481-I536 HydrophobicContact CG1-CG1 4.33Å; V481-I536 HydrophobicContact CG2-CD1 4.35Å; N484-I536 HydrophobicContact CB-CG2 4.38Å; I485-I536 HydrophobicContact CG1-CG2 3.99Å; F509-I536 HydrophobicContact CE2-CD1 4.48Å; F509-I536 HydrophobicContact CZ-CD1 3.99Å; F509-I536 HydrophobicContact CZ-CG1 3.98Å; L528-I536 HydrophobicContact CD1-CD1 3.38Å; Q532-I536 WeakPolarHBondContact O-CG1 3.5Å; Q532-I536 PolarHBondContact O-N 3.17Å; Q532-I536 VanDerWaalsContact O-N 3.13Å; K533-I536 PolarHBondContact O-N 3.12Å; Q534-I536 VanDerWaalsContact C-N 3.34Å; Q534-I536 PolarHBondContact O-N 2.94Å; I536-I538 VanDerWaalsContact C-N 3.33Å; I536-I538 PolarHBondContact O-N 2.99Å; I536-A539 PolarHBondContact O-N 2.68Å; I536-R540 WeakPolarHBondContact O-CB 3.39Å; I536-R540 PolarHBondContact O-N 3.34Å
537	A	94.4	Very high	92.3	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-37.7	174.9	0	0	0	0	0	112.3	P474 K533 Q534 R540 A541	P474-A537 HydrophobicContact CB-CB 4.09Å; K533-A537 PolarHBondContact O-N 3.15Å; Q534-A537 CarbonylContact O-C 3.56Å; Q534-A537 WeakPolarHBondContact O-CA 3.36Å; Q534-A537 WeakPolarHBondContact O-CB 3.22Å; Q534-A537 PolarHBondContact O-N 3.35Å; Q534-A537 VanDerWaalsContact O-N 3.1Å; A537-R540 WeakPolarHBondContact O-CB 3.44Å; A537-R540 PolarHBondContact O-N 3.49Å; A537-A541 PolarHBondContact O-N 3.22Å
538	I	95.2	Very high	92.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-49	172.3	-65.8	165.4	0	0	0	109.9	V470 A504 Q534 R535 I536 R540 A541 L542 V566 A569 L570 A573	V470-I538 HydrophobicContact CG1-CG1 3.93Å; V470-I538 HydrophobicContact CG2-CG1 4.05Å; A504-I538 HydrophobicContact CB-CB 4.09Å; A504-I538 HydrophobicContact CB-CG2 3.81Å; Q534-I538 WeakPolarHBondContact O-CG1 3.44Å; Q534-I538 PolarHBondContact O-N 2.66Å; R535-I538 PolarHBondContact O-N 3.32Å; I536-I538 VanDerWaalsContact C-N 3.33Å; I536-I538 PolarHBondContact O-N 2.99Å; I538-R540 VanDerWaalsContact C-N 3.26Å; I538-R540 PolarHBondContact O-N 3.05Å; I538-A541 WeakPolarHBondContact O-CB 3.41Å; I538-A541 PolarHBondContact O-N 2.83Å; I538-L542 HydrophobicContact CG2-CD1 3.8Å; I538-L542 HydrophobicContact CG2-CG 4.13Å; I538-L542 WeakPolarHBondContact O-CB 3.47Å; I538-L542 VanDerWaalsContact O-CG 3.29Å; I538-L542 WeakPolarHBondContact O-CG 3.48Å; I538-L542 PolarHBondContact O-N 3.07Å; I538-V566 HydrophobicContact CD1-CG1 4Å; I538-A569 HydrophobicContact CD1-CB 4.21Å; I538-L570 HydrophobicContact CD1-CD2 3.69Å; I538-L570 HydrophobicContact CD1-CG 3.95Å; I538-L570 HydrophobicContact CG1-CD2 4Å; I538-A573 HydrophobicContact CG2-CB 4.16Å
539	A	96.2	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-41.6	176	0	0	0	0	0	111.9	I485 A500 A504 R535 I536 A541 L542 V543	I485-A539 HydrophobicContact CD1-CB 3.98Å; I485-A539 HydrophobicContact CG1-CB 4.09Å; I485-A539 HydrophobicContact CG2-CB 4.33Å; A500-A539 HydrophobicContact CB-CB 4.5Å; A504-A539 HydrophobicContact CB-CB 3.79Å; R535-A539 PolarHBondContact O-N 3.26Å; I536-A539 PolarHBondContact O-N 2.68Å; A539-A541 VanDerWaalsContact C-N 3.35Å; A539-A541 PolarHBondContact O-N 2.97Å; A539-L542 PolarHBondContact O-N 2.87Å; A539-V543 PolarHBondContact O-N 3.32Å
540	R	95.7	Very high	93.6	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.057	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-38.4	175.1	-178.1	173.8	63.1	-162.1	-5.4	112.7	V475 N484 G488 I536 A537 I538 L858	V475-R540 VanDerWaalsContact O-CZ 3.26Å; V475-R540 PolarHBondContact O-NH1 3.13Å; V475-R540 PolarHBondContact O-NH2 2.85Å; N484-R540 WeakPolarHBondContact O-CD 3.49Å; N484-R540 WeakPolarHBondContact O-CG 3.46Å; G488-R540 WeakPolarHBondContact CA-O 3.38Å; I536-R540 WeakPolarHBondContact O-CB 3.39Å; I536-R540 PolarHBondContact O-N 3.34Å; A537-R540 WeakPolarHBondContact O-CB 3.44Å; A537-R540 PolarHBondContact O-N 3.49Å; I538-R540 VanDerWaalsContact C-N 3.26Å; I538-R540 PolarHBondContact O-N 3.05Å; R540-L858 HydrophobicContact CG-CD2 4.06Å
541	A	94.3	Very high	93.9	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-70	-39.6	173.8	0	0	0	0	0	111.6	V470 A537 I538 A539 R544 P546	V470-A541 HydrophobicContact CG2-CB 4.17Å; A537-A541 PolarHBondContact O-N 3.22Å; I538-A541 WeakPolarHBondContact O-CB 3.41Å; I538-A541 PolarHBondContact O-N 2.83Å; A539-A541 VanDerWaalsContact C-N 3.35Å; A539-A541 PolarHBondContact O-N 2.97Å; A541-R544 WeakPolarHBondContact O-CB 3.29Å; A541-R544 PolarHBondContact O-N 3.26Å; A541-P546 VanDerWaalsContact O-CD 3.31Å; A541-P546 WeakPolarHBondContact O-CD 3.41Å
542	L	94.3	Very high	94.1	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-70.7	-37	-176.7	-73.4	-179.9	0	0	0	114.2	A500 L503 A504 I538 A539 R544 N545 A573	A500-L542 HydrophobicContact CB-CB 4.29Å; L503-L542 HydrophobicContact CB-CD1 3.74Å; A504-L542 HydrophobicContact CB-CD1 4.26Å; I538-L542 HydrophobicContact CG2-CD1 3.8Å; I538-L542 HydrophobicContact CG2-CG 4.13Å; I538-L542 WeakPolarHBondContact O-CB 3.47Å; I538-L542 VanDerWaalsContact O-CG 3.29Å; I538-L542 WeakPolarHBondContact O-CG 3.48Å; I538-L542 PolarHBondContact O-N 3.07Å; A539-L542 PolarHBondContact O-N 2.87Å; L542-R544 PolarHBondContact O-N 3.36Å; L542-N545 PolarHBondContact O-N 3.41Å; L542-A573 HydrophobicContact CD1-CB 4.16Å; L542-A573 HydrophobicContact CD2-CB 3.75Å; L542-A573 HydrophobicContact CG-CB 4.26Å
543	V	94.7	Very high	93.9	Very high	11 Å²	11	21.2 Å²	21.2	7%	0.067	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.5	-179.3	88.4	0	0	0	0	112.2	I485 K489 A492 E496 I497 A500 A539 N545	I485-V543 HydrophobicContact CG2-CB 4.15Å; I485-V543 HydrophobicContact CG2-CG1 4.29Å; I485-V543 HydrophobicContact CG2-CG2 4.36Å; I485-V543 WeakPolarHBondContact O-CG1 3.2Å; K489-V543 HydrophobicContact CB-CG1 3.98Å; A492-V543 HydrophobicContact CB-CG2 3.89Å; E496-V543 HydrophobicContact CB-CG2 4.29Å; I497-V543 HydrophobicContact CG1-CG2 4.35Å; A500-V543 HydrophobicContact CB-CB 3.91Å; A500-V543 HydrophobicContact CB-CG2 4.06Å; A539-V543 PolarHBondContact O-N 3.32Å; V543-N545 VanDerWaalsContact C-N 3.32Å
544	R	90.5	Very high	93.4	Very high	36 Å²	36	18.8 Å²	18.8	14%	0.136	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15	176.5	-146.6	172.6	-170.4	-172.2	2.6	113.2	R464 G488 A541 L542 S857 L858	R464-R544 PolarHBondContact O-NH1 3.47Å; G488-R544 WeakPolarHBondContact O-CD 3.39Å; G488-R544 WeakPolarHBondContact O-CG 3.48Å; G488-R544 PolarHBondContact O-NE 3.39Å; A541-R544 WeakPolarHBondContact O-CB 3.29Å; A541-R544 PolarHBondContact O-N 3.26Å; L542-R544 PolarHBondContact O-N 3.36Å; R544-S857 PolarHBondContact NH1-O 2.57Å; R544-L858 PolarHBondContact NH2-O 3.32Å
545	N	91.6	Very high	93.1	Very high	109 Å²	109	19.1 Å²	19.1	58%	0.583	9%	0.093	S	C	*	.			trans	48	60.6	-172.4	-164.8	26.1	0	0	0	114.7	L542 V543 R577	L542-N545 PolarHBondContact O-N 3.41Å; V543-N545 VanDerWaalsContact C-N 3.32Å; N545-R577 PolarHBondContact OD1-NH2 2.77Å
546	P	93.5	Very high	92.2	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.097	C	C	.	.			trans	-70.4	153.2	-175.8	31.5	-37	0	0	0	112.4	M466 A541 L549 R577	M466-P546 WeakPolarHBondContact O-CB 3.5Å; A541-P546 VanDerWaalsContact O-CD 3.31Å; A541-P546 WeakPolarHBondContact O-CD 3.41Å; P546-L549 HydrophobicContact CG-CD1 4.39Å; P546-R577 WeakPolarHBondContact O-CD 3.47Å; P546-R577 WeakPolarHBondContact O-CG 3.3Å; P546-R577 PolarHBondContact O-NE 3.22Å
547	K	92.9	Very high	91.2	Very high	105 Å²	105	22.2 Å²	22.2	46%	0.457	12%	0.124	S	C	.	.	S	Bend	trans	-89.1	-30.7	172.5	-67.3	-65.5	-173.9	177.1	0	112.4	V385 M466 T578	V385-K547 HydrophobicContact CB-CG 4.42Å; V385-K547 HydrophobicContact CG1-CB 4.29Å; M466-K547 PolarHBondContact O-N 2.85Å; K547-T578 PolarHBondContact O-N 3.34Å; K547-T578 VanDerWaalsContact O-N 3.07Å
548	I	95.7	Very high	90.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	175.4	-59.2	170.8	0	0	0	108.1	V389 I450 M466 I467 G468 L550 T578	V389-I548 HydrophobicContact CG2-CD1 3.91Å; I450-I548 HydrophobicContact CD1-CD1 4.1Å; I450-I548 HydrophobicContact CG2-CD1 3.9Å; M466-I548 HydrophobicContact CE-CD1 4.14Å; M466-I548 PolarHBondContact O-N 3.17Å; I467-I548 WeakPolarHBondContact CA-O 3.43Å; I467-I548 HydrophobicContact CG1-CB 4.2Å; I467-I548 HydrophobicContact CG1-CG2 4.48Å; G468-I548 PolarHBondContact N-O 3.47Å; I548-L550 HydrophobicContact CG2-CD2 3.99Å; I548-T578 CarbonylContact C-O 3.6Å; I548-T578 VanDerWaalsContact CA-O 3.32Å; I548-T578 WeakPolarHBondContact CA-O 3.36Å
549	L	96.1	Very high	89.5	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.9	177.7	-171	67.1	0	0	0	110	P546 L551 A573 Q574 T578 T579 I580	P546-L549 HydrophobicContact CG-CD1 4.39Å; L549-L551 HydrophobicContact CD1-CD2 4.44Å; L549-L551 HydrophobicContact CD2-CD2 4.05Å; L549-L551 HydrophobicContact CD2-CG 4.45Å; L549-L551 HydrophobicContact CG-CD2 3.95Å; L549-L551 HydrophobicContact CG-CG 4.34Å; L549-A573 HydrophobicContact CD2-CB 4.11Å; L549-Q574 HydrophobicContact CD2-CG 4.11Å; L549-T578 PolarHBondContact N-O 2.91Å; L549-T579 WeakPolarHBondContact O-CA 3.1Å; L549-I580 PolarHBondContact O-N 3.39Å
550	L	96.1	Very high	88.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.7	177.9	-54.3	-178.5	0	0	0	109.1	V434 L437 L438 I467 G468 V469 V470 I548 I580	V434-L550 HydrophobicContact CG1-CB 4.31Å; V434-L550 HydrophobicContact CG1-CD1 3.99Å; V434-L550 HydrophobicContact CG2-CB 4.36Å; L437-L550 HydrophobicContact CB-CD1 4.14Å; L437-L550 HydrophobicContact CD1-CD2 3.97Å; L438-L550 HydrophobicContact CD2-CD1 4.27Å; L438-L550 HydrophobicContact CG-CD1 4.1Å; I467-L550 HydrophobicContact CG2-CD1 3.55Å; I467-L550 HydrophobicContact CG2-CG 3.74Å; G468-L550 PolarHBondContact O-N 3.3Å; V469-L550 WeakPolarHBondContact CA-O 3.42Å; V469-L550 HydrophobicContact CG2-CB 3.9Å; V469-L550 HydrophobicContact CG2-CD1 4.01Å; V469-L550 HydrophobicContact CG2-CG 4.37Å; V470-L550 PolarHBondContact N-O 3.48Å; I548-L550 HydrophobicContact CG2-CD2 3.99Å; L550-I580 WeakPolarHBondContact CA-O 3.5Å; L550-I580 HydrophobicContact CD2-CB 3.8Å; L550-I580 HydrophobicContact CD2-CD1 3.85Å; L550-I580 HydrophobicContact CD2-CG1 4.14Å
551	L	94.6	Very high	87.4	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	102.4	179.2	-53.7	177.9	0	0	0	108.1	V470 L549 L570 Q574 T579 I580 A581 I582	V470-L551 HydrophobicContact CB-CD2 3.71Å; V470-L551 HydrophobicContact CG2-CD2 3.72Å; L549-L551 HydrophobicContact CD1-CD2 4.44Å; L549-L551 HydrophobicContact CD2-CD2 4.05Å; L549-L551 HydrophobicContact CD2-CG 4.45Å; L549-L551 HydrophobicContact CG-CD2 3.95Å; L549-L551 HydrophobicContact CG-CG 4.34Å; L551-L570 HydrophobicContact CD1-CD2 4.05Å; L551-L570 HydrophobicContact CD2-CD2 3.6Å; L551-L570 HydrophobicContact CG-CD2 4.43Å; L551-Q574 HydrophobicContact CD1-CG 4.12Å; L551-Q574 VanDerWaalsContact CD1-NE2 3.31Å; L551-T579 HydrophobicContact CD1-CG2 3.94Å; L551-T579 HydrophobicContact CG-CG2 4.31Å; L551-I580 PolarHBondContact N-O 3.04Å; L551-A581 HydrophobicContact CB-CB 4.1Å; L551-A581 HydrophobicContact CD1-CB 4.33Å; L551-A581 CarbonylContact O-C 3.55Å; L551-A581 WeakPolarHBondContact O-CA 3.32Å; L551-I582 PolarHBondContact O-N 3.37Å
552	D	92.5	Very high	86.7	Confident	24 Å²	24	39.1 Å²	39.1	13%	0.128	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	93.2	-177.3	-170.2	19	0	0	0	109.4	S431 V434 V470 S471 Q472 A554 I582	S431-D552 WeakPolarHBondContact CB-OD1 3.39Å; S431-D552 PolarHBondContact OG-OD1 2.9Å; V434-D552 HydrophobicContact CG2-CB 4.42Å; V470-D552 PolarHBondContact O-N 3.2Å; S471-D552 CarbonylContact C-O 3.53Å; Q472-D552 WeakPolarHBondContact CA-O 3.36Å; Q472-D552 PolarHBondContact N-O 3.26Å; D552-A554 PolarHBondContact O-N 3.39Å; D552-A554 VanDerWaalsContact O-N 3.17Å; D552-I582 HydrophobicContact CB-CD1 4.41Å; D552-I582 WeakPolarHBondContact OD1-CD1 3.45Å
553	E	87.5	Confident	86.2	Confident	23 Å²	23	39.3 Å²	39.3	11%	0.107	21%	0.214	C	C	.	.	S	Bend	trans	50.2	40.8	-179.1	-59.5	-169.1	-174.9	0	0	114	Q472 T555 S556 I582	Q472-E553 HydrophobicContact CB-CB 4.26Å; Q472-E553 HydrophobicContact CG-CB 4.19Å; Q472-E553 PolarHBondContact NE2-OE2 2.85Å; E553-T555 PolarHBondContact O-N 3.38Å; E553-S556 PolarHBondContact O-N 2.95Å; E553-S556 VanDerWaalsContact O-N 3.09Å; E553-S556 PolarHBondContact O-OG 3.37Å; E553-S556 PolarHBondContact OE2-OG 2.85Å; E553-I582 VanDerWaalsContact CA-O 3.27Å; E553-I582 WeakPolarHBondContact CA-O 3.45Å; E553-I582 HydrophobicContact CG-CB 4.44Å; E553-I582 HydrophobicContact CG-CG2 3.76Å; E553-I582 PolarHBondContact N-O 3.25Å
554	A	84.1	Confident	85.6	Confident	6 Å²	6	41 Å²	41	5%	0.05	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.1	-169.7	0	0	0	0	0	115.7	V470 Q534 D552 L570	V470-A554 HydrophobicContact CB-CB 4.42Å; V470-A554 HydrophobicContact CG1-CB 3.82Å; Q534-A554 WeakPolarHBondContact CG-O 3.08Å; Q534-A554 PolarHBondContact NE2-O 3.49Å; D552-A554 PolarHBondContact O-N 3.39Å; D552-A554 VanDerWaalsContact O-N 3.17Å; A554-L570 HydrophobicContact CB-CD1 3.99Å; A554-L570 HydrophobicContact CB-CD2 4.49Å
555	T	85.1	Confident	85.4	Confident	7 Å²	7	42 Å²	42	4%	0.043	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-6.3	178.8	57.4	0	0	0	0	114.4	E553 A557 L558 E563 V566 L570	E553-T555 PolarHBondContact O-N 3.38Å; T555-A557 VanDerWaalsContact C-N 3.35Å; T555-A557 PolarHBondContact O-N 3.43Å; T555-L558 PolarHBondContact O-N 3.37Å; T555-E563 HydrophobicContact CG2-CG 4.31Å; T555-V566 HydrophobicContact CG2-CG1 4.35Å; T555-L570 HydrophobicContact CG2-CD1 4Å
556	S	75.7	Confident	85.3	Confident	32 Å²	32	36.8 Å²	36.8	22%	0.224	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.1	-166.8	64.3	0	0	0	0	114.5	Q472 E553	Q472-S556 WeakPolarHBondContact CG-OG 3.22Å; Q472-S556 PolarHBondContact NE2-OG 2.75Å; E553-S556 PolarHBondContact O-N 2.95Å; E553-S556 VanDerWaalsContact O-N 3.09Å; E553-S556 PolarHBondContact O-OG 3.37Å; E553-S556 PolarHBondContact OE2-OG 2.85Å
557	A	74.1	Confident	85	Confident	68 Å²	68	38.9 Å²	38.9	56%	0.562	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	11.5	179.3	0	0	0	0	0	114	T555	T555-A557 VanDerWaalsContact C-N 3.35Å; T555-A557 PolarHBondContact O-N 3.43Å
558	L	78.9	Confident	84.8	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.089	23%	0.231	C	C	.	.	S	Bend	trans	-99.4	149.4	-175.5	-62.1	179.3	0	0	0	112.8	G531 Q534 T555 E563 V566	G531-L558 VanDerWaalsContact CA-CD2 3.46Å; Q534-L558 HydrophobicContact CB-CD2 4.44Å; Q534-L558 HydrophobicContact CG-CD1 4.4Å; T555-L558 PolarHBondContact O-N 3.37Å; L558-E563 HydrophobicContact CB-CB 4.42Å; L558-V566 HydrophobicContact CD1-CB 3.81Å; L558-V566 HydrophobicContact CD1-CG1 3.81Å; L558-V566 HydrophobicContact CD1-CG2 3.73Å
559	D	76	Confident	84.5	Confident	77 Å²	77	39.6 Å²	39.6	41%	0.412	23%	0.231	S	C	.	.			trans	-67.3	151.4	164	56.4	-72.5	0	0	0	111.2	E561 S562 E563	D559-E561 VanDerWaalsContact C-N 3.29Å; D559-E561 PolarHBondContact O-N 3.34Å; D559-S562 VanDerWaalsContact CG-CB 3.47Å; D559-S562 PolarHBondContact O-N 3.1Å; D559-S562 VanDerWaalsContact OD1-CB 3.24Å; D559-S562 WeakPolarHBondContact OD1-CB 3.33Å; D559-S562 PolarHBondContact OD1-OG 2.91Å; D559-S562 WeakPolarHBondContact OD2-CB 3.45Å; D559-S562 PolarHBondContact OD2-N 3.12Å; D559-S562 PolarHBondContact OD2-OG 2.84Å; D559-E563 WeakPolarHBondContact O-CB 3.35Å; D559-E563 PolarHBondContact O-N 3.15Å
560	T	74.7	Confident	84.2	Confident	95 Å²	95	39.8 Å²	39.8	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-60.5	-34.9	-172	-14.3	0	0	0	0	113.4
561	E	73.7	Confident	83.9	Confident	172 Å²	172	42.5 Å²	42.5	80%	0.804	25%	0.25	S	S	*	.	H	α-helix	trans	-70.6	-48.1	178.3	-166.5	-173.1	172.9	0	0	111	D559 E563	D559-E561 VanDerWaalsContact C-N 3.29Å; D559-E561 PolarHBondContact O-N 3.34Å; E561-E563 VanDerWaalsContact C-N 3.26Å; E561-E563 PolarHBondContact O-N 3.21Å
562	S	79.6	Confident	83.6	Confident	20 Å²	20	46.2 Å²	46.2	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-30	175.9	-65.7	0	0	0	0	113.3	D559 V565 V566	D559-S562 VanDerWaalsContact CG-CB 3.47Å; D559-S562 PolarHBondContact O-N 3.1Å; D559-S562 VanDerWaalsContact OD1-CB 3.24Å; D559-S562 WeakPolarHBondContact OD1-CB 3.33Å; D559-S562 PolarHBondContact OD1-OG 2.91Å; D559-S562 WeakPolarHBondContact OD2-CB 3.45Å; D559-S562 PolarHBondContact OD2-N 3.12Å; D559-S562 PolarHBondContact OD2-OG 2.84Å; S562-V565 PolarHBondContact O-N 3.15Å; S562-V566 WeakPolarHBondContact O-CG2 3.11Å; S562-V566 PolarHBondContact O-N 3.32Å
563	E	81.7	Confident	83.5	Confident	16 Å²	16	45.1 Å²	45.1	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-46.5	-179	-179.3	176.9	-164.1	0	0	112.1	T555 L558 D559 E561 V565 V566 Q567 R585	T555-E563 HydrophobicContact CG2-CG 4.31Å; L558-E563 HydrophobicContact CB-CB 4.42Å; D559-E563 WeakPolarHBondContact O-CB 3.35Å; D559-E563 PolarHBondContact O-N 3.15Å; E561-E563 VanDerWaalsContact C-N 3.26Å; E561-E563 PolarHBondContact O-N 3.21Å; E563-V565 VanDerWaalsContact C-N 3.31Å; E563-V565 PolarHBondContact O-N 3.41Å; E563-V566 PolarHBondContact O-N 2.92Å; E563-Q567 VanDerWaalsContact O-CB 3.29Å; E563-Q567 WeakPolarHBondContact O-CB 3.29Å; E563-Q567 PolarHBondContact O-N 2.8Å; E563-R585 VanDerWaalsContact OE1-CD 3.27Å; E563-R585 WeakPolarHBondContact OE1-CD 3.31Å; E563-R585 IonicContact OE1-CZ 3.95Å; E563-R585 IonicContact OE1-NE 2.83Å; E563-R585 PolarHBondContact OE1-NE 2.83Å; E563-R585 IonicContact OE1-NH1 2.85Å; E563-R585 IonicContact OE2-CZ 3.95Å; E563-R585 IonicContact OE2-NE 3.06Å; E563-R585 IonicContact OE2-NH1 3.82Å; E563-R585 PolarHBondContact OE2-NH1 3.42Å; E563-R585 IonicContact OE2-NH2 2.67Å; E563-R585 PolarHBondContact OE2-NH2 2.92Å
564	G	83.6	Confident	83.7	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-45.9	179.1	0	0	0	0	0	112	Q567 E568	G564-Q567 PolarHBondContact O-N 3.37Å; G564-E568 PolarHBondContact O-N 3.42Å
565	V	86.3	Confident	83.9	Confident	56 Å²	56	49.8 Å²	49.8	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-67.8	-38	-180	-170.8	0	0	0	0	112.1	N505 S562 E563 A569	N505-V565 HydrophobicContact CB-CG1 4.26Å; S562-V565 PolarHBondContact O-N 3.15Å; E563-V565 VanDerWaalsContact C-N 3.31Å; E563-V565 PolarHBondContact O-N 3.41Å; V565-A569 PolarHBondContact O-N 2.87Å
566	V	89.7	Confident	84	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-39.9	176	170.3	0	0	0	0	111.1	Q534 R535 I538 T555 L558 S562 E563 E568 A569 L570	Q534-V566 HydrophobicContact CB-CG1 4.46Å; Q534-V566 HydrophobicContact CB-CG2 4.25Å; Q534-V566 HydrophobicContact CG-CG1 3.92Å; R535-V566 HydrophobicContact CG-CG2 3.91Å; I538-V566 HydrophobicContact CD1-CG1 4Å; T555-V566 HydrophobicContact CG2-CG1 4.35Å; L558-V566 HydrophobicContact CD1-CB 3.81Å; L558-V566 HydrophobicContact CD1-CG1 3.81Å; L558-V566 HydrophobicContact CD1-CG2 3.73Å; S562-V566 WeakPolarHBondContact O-CG2 3.11Å; S562-V566 PolarHBondContact O-N 3.32Å; E563-V566 PolarHBondContact O-N 2.92Å; V566-E568 VanDerWaalsContact C-N 3.3Å; V566-E568 PolarHBondContact O-N 3.35Å; V566-A569 WeakPolarHBondContact O-CB 3.31Å; V566-A569 PolarHBondContact O-N 3.03Å; V566-L570 HydrophobicContact CG1-CD1 4.19Å; V566-L570 HydrophobicContact CG1-CG 4.33Å; V566-L570 WeakPolarHBondContact O-CG 3.16Å; V566-L570 PolarHBondContact O-N 2.9Å
567	Q	86.7	Confident	84.9	Confident	45 Å²	45	57 Å²	57	21%	0.21	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-39.9	178.8	-173.8	62.5	13.5	0	0	111.2	E563 G564 A569 L570 C571 T588	E563-Q567 VanDerWaalsContact O-CB 3.29Å; E563-Q567 WeakPolarHBondContact O-CB 3.29Å; E563-Q567 PolarHBondContact O-N 2.8Å; G564-Q567 PolarHBondContact O-N 3.37Å; Q567-A569 VanDerWaalsContact C-N 3.35Å; Q567-L570 WeakPolarHBondContact O-CB 3.46Å; Q567-L570 PolarHBondContact O-N 3.39Å; Q567-C571 WeakPolarHBondContact O-CB 3.42Å; Q567-C571 PolarHBondContact O-N 3.4Å; Q567-T588 HydrophobicContact CG-CG2 4.4Å; Q567-T588 PolarHBondContact NE2-O 3.31Å
568	E	87.7	Confident	86	Confident	121 Å²	121	53.8 Å²	53.8	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-42.9	174.7	-145.7	177	-151.3	0	0	111.6	N505 G564 V566 L570 C571 Q572	N505-E568 PolarHBondContact ND2-OE2 2.83Å; G564-E568 PolarHBondContact O-N 3.42Å; V566-E568 VanDerWaalsContact C-N 3.3Å; V566-E568 PolarHBondContact O-N 3.35Å; E568-L570 PolarHBondContact O-N 3.39Å; E568-C571 PolarHBondContact O-N 3.4Å; E568-Q572 PolarHBondContact O-N 3.04Å; E568-Q572 VanDerWaalsContact O-N 3.07Å
569	A	90.3	Very high	86.8	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-40	173.5	0	0	0	0	0	112.5	A504 N505 I538 V565 V566 Q567 Q572 A573	A504-A569 WeakPolarHBondContact O-CB 3.35Å; N505-A569 HydrophobicContact CB-CB 4.28Å; I538-A569 HydrophobicContact CD1-CB 4.21Å; V565-A569 PolarHBondContact O-N 2.87Å; V566-A569 WeakPolarHBondContact O-CB 3.31Å; V566-A569 PolarHBondContact O-N 3.03Å; Q567-A569 VanDerWaalsContact C-N 3.35Å; A569-Q572 PolarHBondContact O-N 3.5Å; A569-A573 VanDerWaalsContact O-CB 3.3Å; A569-A573 WeakPolarHBondContact O-CB 3.35Å; A569-A573 PolarHBondContact O-N 3.08Å
570	L	90.6	Very high	87.7	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-42.5	174.4	-72.3	175.4	0	0	0	111.3	I538 L551 A554 T555 V566 Q567 E568 Q572 A573 Q574	I538-L570 HydrophobicContact CD1-CD2 3.69Å; I538-L570 HydrophobicContact CD1-CG 3.95Å; I538-L570 HydrophobicContact CG1-CD2 4Å; L551-L570 HydrophobicContact CD1-CD2 4.05Å; L551-L570 HydrophobicContact CD2-CD2 3.6Å; L551-L570 HydrophobicContact CG-CD2 4.43Å; A554-L570 HydrophobicContact CB-CD1 3.99Å; A554-L570 HydrophobicContact CB-CD2 4.49Å; T555-L570 HydrophobicContact CG2-CD1 4Å; V566-L570 HydrophobicContact CG1-CD1 4.19Å; V566-L570 HydrophobicContact CG1-CG 4.33Å; V566-L570 WeakPolarHBondContact O-CG 3.16Å; V566-L570 PolarHBondContact O-N 2.9Å; Q567-L570 WeakPolarHBondContact O-CB 3.46Å; Q567-L570 PolarHBondContact O-N 3.39Å; E568-L570 PolarHBondContact O-N 3.39Å; L570-Q572 VanDerWaalsContact C-N 3.33Å; L570-Q572 PolarHBondContact O-N 3.23Å; L570-A573 WeakPolarHBondContact O-CB 3.4Å; L570-A573 PolarHBondContact O-N 3.31Å; L570-A573 VanDerWaalsContact O-N 3.1Å; L570-Q574 WeakPolarHBondContact O-CG 3.45Å; L570-Q574 PolarHBondContact O-N 3.34Å; L570-Q574 PolarHBondContact O-NE2 3.26Å
571	C	89.1	Confident	88.6	Confident	58 Å²	58	45 Å²	45	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-41.1	179.1	-156.4	0	0	0	0	111.5	Q567 E568 Q574	Q567-C571 WeakPolarHBondContact O-CB 3.42Å; Q567-C571 PolarHBondContact O-N 3.4Å; E568-C571 PolarHBondContact O-N 3.4Å; C571-Q574 PolarHBondContact O-N 3.12Å
572	Q	87.9	Confident	89.5	Confident	82 Å²	82	37 Å²	37	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-39.5	171.8	-64.3	-63.5	-14.2	0	0	112.3	E568 A569 L570 Q574 K575	E568-Q572 PolarHBondContact O-N 3.04Å; E568-Q572 VanDerWaalsContact O-N 3.07Å; A569-Q572 PolarHBondContact O-N 3.5Å; L570-Q572 VanDerWaalsContact C-N 3.33Å; L570-Q572 PolarHBondContact O-N 3.23Å; Q572-Q574 PolarHBondContact O-N 3.1Å; Q572-K575 PolarHBondContact O-N 3.43Å
573	A	90.1	Very high	89.5	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-27	178.9	0	0	0	0	0	113.7	I538 L542 L549 A569 L570 R577	I538-A573 HydrophobicContact CG2-CB 4.16Å; L542-A573 HydrophobicContact CD1-CB 4.16Å; L542-A573 HydrophobicContact CD2-CB 3.75Å; L542-A573 HydrophobicContact CG-CB 4.26Å; L549-A573 HydrophobicContact CD2-CB 4.11Å; A569-A573 VanDerWaalsContact O-CB 3.3Å; A569-A573 WeakPolarHBondContact O-CB 3.35Å; A569-A573 PolarHBondContact O-N 3.08Å; L570-A573 WeakPolarHBondContact O-CB 3.4Å; L570-A573 PolarHBondContact O-N 3.31Å; L570-A573 VanDerWaalsContact O-N 3.1Å; A573-R577 PolarHBondContact O-NH1 2.78Å
574	Q	92	Very high	89.3	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-80.8	-19.5	-177.6	-70.7	167.8	29.2	0	0	114.2	L549 L551 L570 C571 Q572 N576 R577 T579 Y592	L549-Q574 HydrophobicContact CD2-CG 4.11Å; L551-Q574 HydrophobicContact CD1-CG 4.12Å; L551-Q574 VanDerWaalsContact CD1-NE2 3.31Å; L570-Q574 WeakPolarHBondContact O-CG 3.45Å; L570-Q574 PolarHBondContact O-N 3.34Å; L570-Q574 PolarHBondContact O-NE2 3.26Å; C571-Q574 PolarHBondContact O-N 3.12Å; Q572-Q574 PolarHBondContact O-N 3.1Å; Q574-N576 PolarHBondContact O-N 3.46Å; Q574-R577 PolarHBondContact O-N 3.42Å; Q574-T579 HydrophobicContact CG-CG2 3.71Å; Q574-Y592 PolarHBondContact NE2-OH 3.03Å; Q574-Y592 VanDerWaalsContact NE2-OH 3.11Å; Q574-Y592 PolarHBondContact OE1-OH 3.44Å
575	K	88.4	Confident	88.7	Confident	120 Å²	120	41.1 Å²	41.1	52%	0.522	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	132.9	-176.3	-71.9	179.4	177.8	170.9	0	111.5	Q572 R577	Q572-K575 PolarHBondContact O-N 3.43Å; K575-R577 VanDerWaalsContact C-N 3.29Å; K575-R577 PolarHBondContact O-N 3.36Å
576	N	88.2	Confident	88.5	Confident	162 Å²	162	39 Å²	39	87%	0.866	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	29.6	179	-57.4	-31.4	0	0	0	115.1	Q574	Q574-N576 PolarHBondContact O-N 3.46Å
577	R	93.7	Very high	88	Confident	29 Å²	29	41.7 Å²	41.7	11%	0.109	21%	0.209	C	C	.	.	S	Bend	trans	-137.4	141	178.8	-63.9	-179.7	176.1	126	1.5	111	N545 P546 A573 Q574 K575 T579	N545-R577 PolarHBondContact OD1-NH2 2.77Å; P546-R577 WeakPolarHBondContact O-CD 3.47Å; P546-R577 WeakPolarHBondContact O-CG 3.3Å; P546-R577 PolarHBondContact O-NE 3.22Å; A573-R577 PolarHBondContact O-NH1 2.78Å; Q574-R577 PolarHBondContact O-N 3.42Å; K575-R577 VanDerWaalsContact C-N 3.29Å; K575-R577 PolarHBondContact O-N 3.36Å; R577-T579 PolarHBondContact O-N 2.92Å; R577-T579 PolarHBondContact O-OG1 2.98Å
578	T	96.3	Very high	87.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	120.6	168	-51.9	0	0	0	0	108.2	G387 I414 G417 Q418 K547 I548 L549	G387-T578 VanDerWaalsContact O-CB 3.31Å; G387-T578 WeakPolarHBondContact O-CB 3.39Å; G387-T578 VanDerWaalsContact O-CG2 3.25Å; G387-T578 WeakPolarHBondContact O-CG2 3.25Å; G387-T578 PolarHBondContact O-OG1 3.24Å; I414-T578 HydrophobicContact CB-CG2 4.49Å; I414-T578 HydrophobicContact CG2-CG2 3.51Å; G417-T578 PolarHBondContact N-OG1 3.02Å; Q418-T578 WeakPolarHBondContact O-CA 3.43Å; K547-T578 PolarHBondContact O-N 3.34Å; K547-T578 VanDerWaalsContact O-N 3.07Å; I548-T578 CarbonylContact C-O 3.6Å; I548-T578 VanDerWaalsContact CA-O 3.32Å; I548-T578 WeakPolarHBondContact CA-O 3.36Å; L549-T578 PolarHBondContact N-O 2.91Å
579	T	95.9	Very high	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.6	-174.2	-58.8	0	0	0	0	110.4	Q418 I420 L549 L551 Q574 R577 Y592	Q418-T579 PolarHBondContact O-N 3.48Å; I420-T579 PolarHBondContact N-O 2.76Å; L549-T579 WeakPolarHBondContact O-CA 3.1Å; L551-T579 HydrophobicContact CD1-CG2 3.94Å; L551-T579 HydrophobicContact CG-CG2 4.31Å; Q574-T579 HydrophobicContact CG-CG2 3.71Å; R577-T579 PolarHBondContact O-N 2.92Å; R577-T579 PolarHBondContact O-OG1 2.98Å; T579-Y592 HydrophobicContact CG2-CE1 4.48Å
580	I	95.7	Very high	87.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.4	170.3	-56.2	173.7	0	0	0	107.5	I414 I420 I422 L437 L549 L550 L551	I414-I580 HydrophobicContact CD1-CD1 3.41Å; I414-I580 VanDerWaalsContact CD1-CD1 3.41Å; I414-I580 HydrophobicContact CD1-CG1 3.62Å; I420-I580 HydrophobicContact CD1-CB 4.18Å; I420-I580 HydrophobicContact CD1-CG1 3.92Å; I420-I580 HydrophobicContact CD1-CG2 3.79Å; I420-I580 HydrophobicContact CG1-CB 4.43Å; I420-I580 HydrophobicContact CG1-CG1 3.94Å; I420-I580 WeakPolarHBondContact O-CA 3.5Å; I422-I580 HydrophobicContact CD1-CG2 4Å; L437-I580 HydrophobicContact CD1-CD1 3.34Å; L549-I580 PolarHBondContact O-N 3.39Å; L550-I580 WeakPolarHBondContact CA-O 3.5Å; L550-I580 HydrophobicContact CD2-CB 3.8Å; L550-I580 HydrophobicContact CD2-CD1 3.85Å; L550-I580 HydrophobicContact CD2-CG1 4.14Å; L551-I580 PolarHBondContact N-O 3.04Å
581	A	94.1	Very high	87.3	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.1	177.4	0	0	0	0	0	111.4	I420 A421 I422 L551 Y592	I420-A581 PolarHBondContact O-N 3.04Å; A421-A581 CarbonylContact C-O 3.59Å; A421-A581 VanDerWaalsContact CA-O 3.27Å; A421-A581 WeakPolarHBondContact CA-O 3.31Å; I422-A581 PolarHBondContact N-O 3.26Å; L551-A581 HydrophobicContact CB-CB 4.1Å; L551-A581 HydrophobicContact CD1-CB 4.33Å; L551-A581 CarbonylContact O-C 3.55Å; L551-A581 WeakPolarHBondContact O-CA 3.32Å; A581-Y592 HydrophobicContact CB-CE1 3.55Å; A581-Y592 WeakPolarHBondContact CB-OH 3.42Å
582	I	92.1	Very high	87.4	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.1	165.9	-61.6	164	0	0	0	105.8	I422 K430 V434 L551 D552 E553	I422-I582 HydrophobicContact CB-CG1 4.38Å; K430-I582 VanDerWaalsContact C-CD1 3.42Å; K430-I582 HydrophobicContact CB-CD1 4.2Å; K430-I582 HydrophobicContact CB-CG1 4.22Å; K430-I582 HydrophobicContact CB-CG2 3.61Å; K430-I582 HydrophobicContact CD-CG2 3.95Å; K430-I582 HydrophobicContact CG-CG2 4.39Å; K430-I582 VanDerWaalsContact O-CD1 3.3Å; K430-I582 WeakPolarHBondContact O-CD1 3.42Å; V434-I582 HydrophobicContact CB-CD1 4.37Å; V434-I582 HydrophobicContact CG2-CD1 3.49Å; V434-I582 VanDerWaalsContact CG2-CD1 3.49Å; V434-I582 HydrophobicContact CG2-CG1 4.39Å; L551-I582 PolarHBondContact O-N 3.37Å; D552-I582 HydrophobicContact CB-CD1 4.41Å; D552-I582 WeakPolarHBondContact OD1-CD1 3.45Å; E553-I582 VanDerWaalsContact CA-O 3.27Å; E553-I582 WeakPolarHBondContact CA-O 3.45Å; E553-I582 HydrophobicContact CG-CB 4.44Å; E553-I582 HydrophobicContact CG-CG2 3.76Å; E553-I582 PolarHBondContact N-O 3.25Å
583	A	79.8	Confident	87.6	Confident	7 Å²	7	42.7 Å²	42.7	6%	0.058	21%	0.214	C	C	.	.			trans	-111.4	130.5	-178.1	0	0	0	0	0	110.3	I422 V423 I589	I422-A583 PolarHBondContact O-N 3.26Å; V423-A583 HydrophobicContact CG1-CB 4.41Å; A583-I589 HydrophobicContact CB-CB 4.41Å; A583-I589 HydrophobicContact CB-CD1 4.23Å; A583-I589 HydrophobicContact CB-CG1 4.25Å; A583-I589 HydrophobicContact CB-CG2 3.35Å
584	H	76.1	Confident	87.8	Confident	104 Å²	104	45.6 Å²	45.6	48%	0.481	23%	0.226	S	C	.	.	S	Bend	trans	-79.4	-45.1	160.1	-168.2	-87.6	0	0	0	109.5	Q626	H584-Q626 PolarHBondContact O-NE2 3.22Å
585	R	72.9	Confident	88	Confident	58 Å²	58	45.3 Å²	45.3	22%	0.219	23%	0.225	C	C	.	.	S	Bend	trans	-90.7	114.1	-179.7	-58.6	-149.7	-168.2	172.5	13.1	112.2	E563 S587 T588	E563-R585 VanDerWaalsContact OE1-CD 3.27Å; E563-R585 WeakPolarHBondContact OE1-CD 3.31Å; E563-R585 IonicContact OE1-CZ 3.95Å; E563-R585 IonicContact OE1-NE 2.83Å; E563-R585 PolarHBondContact OE1-NE 2.83Å; E563-R585 IonicContact OE1-NH1 2.85Å; E563-R585 IonicContact OE2-CZ 3.95Å; E563-R585 IonicContact OE2-NE 3.06Å; E563-R585 IonicContact OE2-NH1 3.82Å; E563-R585 PolarHBondContact OE2-NH1 3.42Å; E563-R585 IonicContact OE2-NH2 2.67Å; E563-R585 PolarHBondContact OE2-NH2 2.92Å; R585-S587 VanDerWaalsContact C-N 3.26Å; R585-S587 PolarHBondContact O-N 3.07Å; R585-T588 HydrophobicContact CB-CG2 4.33Å; R585-T588 PolarHBondContact O-N 2.94Å; R585-T588 PolarHBondContact O-OG1 3.5Å
586	L	80.5	Confident	88.3	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.058	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.7	-174.6	-69.8	148.3	0	0	0	112.8	V423 T588 I589 Y619 M622 V623 Q626	V423-L586 HydrophobicContact CB-CD2 4.48Å; V423-L586 HydrophobicContact CG1-CD2 4.03Å; L586-T588 PolarHBondContact O-N 3.31Å; L586-I589 HydrophobicContact CD2-CD1 4.28Å; L586-I589 VanDerWaalsContact O-CG1 3.23Å; L586-I589 WeakPolarHBondContact O-CG1 3.47Å; L586-I589 PolarHBondContact O-N 3.35Å; L586-Y619 HydrophobicContact CD2-CD2 3.99Å; L586-Y619 HydrophobicContact CD2-CE2 3.37Å; L586-M622 VanDerWaalsContact CD1-C 3.43Å; L586-M622 HydrophobicContact CD1-CB 3.76Å; L586-M622 WeakPolarHBondContact CD1-O 3.45Å; L586-V623 HydrophobicContact CB-CG2 4.24Å; L586-V623 HydrophobicContact CD1-CG2 4.04Å; L586-V623 HydrophobicContact CD2-CG2 4.12Å; L586-V623 HydrophobicContact CG-CG2 4.37Å; L586-Q626 VanDerWaalsContact CB-OE1 3.29Å; L586-Q626 HydrophobicContact CD1-CB 4.16Å; L586-Q626 HydrophobicContact CD1-CG 4.16Å; L586-Q626 VanDerWaalsContact CG-OE1 3.31Å
587	S	79.3	Confident	88.5	Confident	56 Å²	56	32 Å²	32	39%	0.392	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-57.2	-33.8	174.9	45.6	0	0	0	0	112.6	R585 I589 E630	R585-S587 VanDerWaalsContact C-N 3.26Å; R585-S587 PolarHBondContact O-N 3.07Å; S587-I589 VanDerWaalsContact C-N 3.3Å; S587-I589 PolarHBondContact O-N 3.28Å; S587-E630 PolarHBondContact OG-OE1 3.3Å
588	T	79.8	Confident	88.4	Confident	21 Å²	21	30.7 Å²	30.7	13%	0.129	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-74.9	-12.8	-178.3	63.6	0	0	0	0	115.1	Q567 R585 L586	Q567-T588 HydrophobicContact CG-CG2 4.4Å; Q567-T588 PolarHBondContact NE2-O 3.31Å; R585-T588 HydrophobicContact CB-CG2 4.33Å; R585-T588 PolarHBondContact O-N 2.94Å; R585-T588 PolarHBondContact O-OG1 3.5Å; L586-T588 PolarHBondContact O-N 3.31Å
589	I	86.7	Confident	88	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-119.5	9.7	-173.5	60.4	159.2	0	0	0	114.3	A421 V423 A583 L586 S587 D591 Y592 I595 Y619	A421-I589 HydrophobicContact CB-CB 3.71Å; A421-I589 HydrophobicContact CB-CD1 3.7Å; A421-I589 HydrophobicContact CB-CG1 4.34Å; A421-I589 HydrophobicContact CB-CG2 3.68Å; V423-I589 HydrophobicContact CG1-CD1 3.32Å; A583-I589 HydrophobicContact CB-CB 4.41Å; A583-I589 HydrophobicContact CB-CD1 4.23Å; A583-I589 HydrophobicContact CB-CG1 4.25Å; A583-I589 HydrophobicContact CB-CG2 3.35Å; L586-I589 HydrophobicContact CD2-CD1 4.28Å; L586-I589 VanDerWaalsContact O-CG1 3.23Å; L586-I589 WeakPolarHBondContact O-CG1 3.47Å; L586-I589 PolarHBondContact O-N 3.35Å; S587-I589 VanDerWaalsContact C-N 3.3Å; S587-I589 PolarHBondContact O-N 3.28Å; I589-D591 PolarHBondContact O-N 2.82Å; I589-Y592 HydrophobicContact CB-CD2 3.95Å; I589-Y592 HydrophobicContact CB-CE2 4.27Å; I589-Y592 HydrophobicContact CB-CG 4.33Å; I589-Y592 HydrophobicContact CG2-CD2 4.15Å; I589-Y592 HydrophobicContact CG2-CE2 3.98Å; I589-Y592 WeakPolarHBondContact O-CB 3.47Å; I589-Y592 PolarHBondContact O-N 3.2Å; I589-I595 HydrophobicContact CD1-CD1 4.26Å; I589-I595 HydrophobicContact CD1-CG2 4.27Å; I589-Y619 HydrophobicContact CD1-CE2 4.43Å
590	K	86	Confident	87.6	Confident	97 Å²	97	39 Å²	39	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.8	177.1	-98.4	-175.4	169.8	-176.9	0	112.7	Y592 H609	K590-Y592 VanDerWaalsContact C-N 3.25Å; K590-Y592 PolarHBondContact O-N 3.4Å; K590-H609 WeakPolarHBondContact CE-NE2 3.18Å
591	D	87.9	Confident	87.2	Confident	124 Å²	124	39 Å²	39	66%	0.663	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	15.1	-171.3	-47	-29.2	0	0	0	113.1	R419 I589	R419-D591 PolarHBondContact NH2-O 3.1Å; I589-D591 PolarHBondContact O-N 2.82Å
592	Y	91.7	Very high	87.2	Confident	16 Å²	16	42.3 Å²	42.3	6%	0.063	21%	0.211	C	C	.	.			trans	-83.4	144.4	179.8	-84.1	-118.8	0	0	0	111	R419 I420 A421 Q574 T579 A581 I589 K590 K594	R419-Y592 HydrophobicContact CB-CD1 3.86Å; R419-Y592 HydrophobicContact CB-CE1 4.12Å; R419-Y592 HydrophobicContact CB-CG 4.4Å; I420-Y592 WeakPolarHBondContact O-CE1 3.41Å; A421-Y592 HydrophobicContact CB-CD1 3.8Å; A421-Y592 HydrophobicContact CB-CE1 4.32Å; A421-Y592 HydrophobicContact CB-CG 4.06Å; Q574-Y592 PolarHBondContact NE2-OH 3.03Å; Q574-Y592 VanDerWaalsContact NE2-OH 3.11Å; Q574-Y592 PolarHBondContact OE1-OH 3.44Å; T579-Y592 HydrophobicContact CG2-CE1 4.48Å; A581-Y592 HydrophobicContact CB-CE1 3.55Å; A581-Y592 WeakPolarHBondContact CB-OH 3.42Å; I589-Y592 HydrophobicContact CB-CD2 3.95Å; I589-Y592 HydrophobicContact CB-CE2 4.27Å; I589-Y592 HydrophobicContact CB-CG 4.33Å; I589-Y592 HydrophobicContact CG2-CD2 4.15Å; I589-Y592 HydrophobicContact CG2-CE2 3.98Å; I589-Y592 WeakPolarHBondContact O-CB 3.47Å; I589-Y592 PolarHBondContact O-N 3.2Å; K590-Y592 VanDerWaalsContact C-N 3.25Å; K590-Y592 PolarHBondContact O-N 3.4Å; Y592-K594 PolarHBondContact O-N 3.33Å
593	D	93.2	Very high	87.2	Confident	73 Å²	73	43.7 Å²	43.7	39%	0.39	22%	0.219	S	C	.	.	S	Bend	trans	-68.7	-28.6	-173.1	-43.5	-36.4	0	0	0	111.4	Q418 R419	Q418-D593 HydrophobicContact CG-CB 3.85Å; R419-D593 IonicContact CZ-OD1 3.36Å; R419-D593 PolarHBondContact N-OD2 3.05Å; R419-D593 IonicContact NE-OD1 2.91Å; R419-D593 IonicContact NE-OD2 2.98Å; R419-D593 IonicContact NH2-OD1 3.91Å; R419-D593 PolarHBondContact NH2-OD1 2.91Å; R419-D593 PolarHBondContact O-N 2.96Å
594	K	94.4	Very high	87.8	Confident	63 Å²	63	48.9 Å²	48.9	27%	0.274	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.9	175	-155.1	168.9	-173	174.7	0	112	R419 I420 A421 Y592 F596	R419-K594 PolarHBondContact O-N 3.3Å; I420-K594 CarbonylContact C-O 3.57Å; I420-K594 WeakPolarHBondContact CA-O 3.41Å; I420-K594 HydrophobicContact CG2-CB 4.01Å; A421-K594 PolarHBondContact N-O 2.9Å; Y592-K594 PolarHBondContact O-N 3.33Å; K594-F596 HydrophobicContact CD-CE1 4.47Å; K594-F596 HydrophobicContact CD-CE2 4.34Å; K594-F596 HydrophobicContact CD-CZ 3.89Å; K594-F596 HydrophobicContact CG-CE2 4.4Å; K594-F596 HydrophobicContact CG-CZ 4.34Å
595	I	94.9	Very high	88.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.9	178	-54.8	178.3	0	0	0	108.3	A421 V423 I589 Q606 G607 H609 L612 Y619	A421-I595 HydrophobicContact CB-CG1 4.27Å; A421-I595 HydrophobicContact CB-CG2 4.48Å; A421-I595 CarbonylContact O-C 3.47Å; A421-I595 WeakPolarHBondContact O-CA 3.4Å; V423-I595 HydrophobicContact CG2-CG2 3.62Å; I589-I595 HydrophobicContact CD1-CD1 4.26Å; I589-I595 HydrophobicContact CD1-CG2 4.27Å; I595-Q606 VanDerWaalsContact O-CA 3.24Å; I595-Q606 WeakPolarHBondContact O-CA 3.42Å; I595-G607 PolarHBondContact N-O 2.86Å; I595-G607 PolarHBondContact O-N 2.84Å; I595-G607 VanDerWaalsContact O-N 3.16Å; I595-H609 HydrophobicContact CD1-CB 4.19Å; I595-L612 HydrophobicContact CB-CD1 3.67Å; I595-L612 HydrophobicContact CD1-CD1 4.49Å; I595-L612 HydrophobicContact CG2-CD1 3.9Å; I595-Y619 HydrophobicContact CD1-CE2 3.92Å; I595-Y619 WeakPolarHBondContact CD1-OH 3.34Å; I595-Y619 HydrophobicContact CG2-CD2 4.12Å; I595-Y619 HydrophobicContact CG2-CE2 3.85Å
596	F	94.2	Very high	89.6	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	174.7	-65.1	-81.4	0	0	0	110.1	F412 I420 A421 I422 V423 K594 I603 Q606	F412-F596 HydrophobicContact CB-CD1 4.29Å; F412-F596 HydrophobicContact CB-CE1 3.56Å; F412-F596 HydrophobicContact CB-CZ 3.7Å; F412-F596 HydrophobicContact CD2-CE1 4.5Å; F412-F596 HydrophobicContact CD2-CE2 4.04Å; F412-F596 AromaticContact CD2-CZ 3.99Å; F412-F596 HydrophobicContact CD2-CZ 3.99Å; F412-F596 HydrophobicContact CG-CE1 4.18Å; F412-F596 HydrophobicContact CG-CE2 4.48Å; F412-F596 HydrophobicContact CG-CZ 4.11Å; I420-F596 HydrophobicContact CB-CD2 4.4Å; I420-F596 HydrophobicContact CB-CE2 4.1Å; I420-F596 HydrophobicContact CD1-CD2 4.08Å; I420-F596 HydrophobicContact CD1-CE2 4.13Å; I420-F596 HydrophobicContact CG2-CE2 4.22Å; A421-F596 PolarHBondContact O-N 3.41Å; I422-F596 WeakPolarHBondContact CA-O 3.42Å; V423-F596 PolarHBondContact N-O 3.08Å; K594-F596 HydrophobicContact CD-CE1 4.47Å; K594-F596 HydrophobicContact CD-CE2 4.34Å; K594-F596 HydrophobicContact CD-CZ 3.89Å; K594-F596 HydrophobicContact CG-CE2 4.4Å; K594-F596 HydrophobicContact CG-CZ 4.34Å; F596-I603 HydrophobicContact CB-CG1 4.42Å; F596-I603 HydrophobicContact CD1-CD1 3.8Å; F596-I603 HydrophobicContact CD1-CG1 4.31Å; F596-I603 HydrophobicContact CD1-CG2 4.1Å; F596-I603 HydrophobicContact CE1-CD1 4.37Å; F596-I603 HydrophobicContact CG-CD1 4.42Å; F596-Q606 HydrophobicContact CD1-CB 3.78Å; F596-Q606 HydrophobicContact CE1-CB 3.98Å; F596-Q606 VanDerWaalsContact CE1-OE1 3.28Å
597	V	93.4	Very high	90.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.9	179.4	-172.1	0	0	0	0	109.6	V423 I603 Q604 E605 L612 I618 Y619 M622	V423-V597 HydrophobicContact CG2-CG2 4.01Å; V423-V597 CarbonylContact O-C 3.59Å; V423-V597 WeakPolarHBondContact O-CA 3.49Å; V597-I603 WeakPolarHBondContact O-CA 3.44Å; V597-Q604 PolarHBondContact O-N 3.29Å; V597-E605 HydrophobicContact CB-CB 3.93Å; V597-E605 HydrophobicContact CG2-CB 3.78Å; V597-E605 PolarHBondContact N-O 2.86Å; V597-L612 HydrophobicContact CG2-CD1 4.37Å; V597-I618 HydrophobicContact CG1-CB 4.2Å; V597-I618 HydrophobicContact CG1-CG2 4.01Å; V597-Y619 HydrophobicContact CG2-CD2 4.15Å; V597-Y619 HydrophobicContact CG2-CG 4.42Å; V597-M622 HydrophobicContact CG1-CE 3.65Å
598	L	91.4	Very high	90.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.5	175.7	-98.4	98.9	0	0	0	111.9	L407 L410 I422 V423 G424 S428 I602 I603	L407-L598 HydrophobicContact CD2-CD2 3.84Å; L410-L598 HydrophobicContact CD1-CD1 4.29Å; L410-L598 HydrophobicContact CD1-CD2 4.05Å; L410-L598 HydrophobicContact CD1-CG 4.23Å; I422-L598 HydrophobicContact CG2-CD1 3.5Å; V423-L598 PolarHBondContact O-N 3.15Å; G424-L598 WeakPolarHBondContact CA-O 3.3Å; S428-L598 WeakPolarHBondContact CB-O 3.43Å; S428-L598 WeakPolarHBondContact O-CD2 3.3Å; L598-I602 WeakPolarHBondContact CA-O 3.23Å; L598-I603 HydrophobicContact CD1-CG1 4.1Å; L598-I603 HydrophobicContact CG-CG1 4.46Å
599	K	89.1	Confident	91.4	Very high	68 Å²	68	45.1 Å²	45.1	30%	0.296	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.6	167.6	-167.7	169.7	-175.9	166.5	0	109.5	E425 G601 I602 Q604 I618	E425-K599 IonicContact OE1-NZ 3.88Å; K599-G601 PolarHBondContact O-N 3.03Å; K599-G601 VanDerWaalsContact O-N 3.11Å; K599-I602 PolarHBondContact N-O 2.97Å; K599-I602 PolarHBondContact O-N 3.37Å; K599-I602 VanDerWaalsContact O-N 3.09Å; K599-Q604 HydrophobicContact CB-CG 3.79Å; K599-I618 HydrophobicContact CD-CD1 3.82Å
600	N	87	Confident	91.7	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	34.5	180	-63.8	-28.6	0	0	0	114.6	K408	K408-N600 WeakPolarHBondContact CD-O 3.44Å
601	G	87.5	Confident	92	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	8	178.1	0	0	0	0	0	116.4	V406 K408 S428 K599	V406-G601 WeakPolarHBondContact O-CA 3.26Å; K408-G601 PolarHBondContact N-O 3.19Å; S428-G601 WeakPolarHBondContact O-CA 3.08Å; S428-G601 PolarHBondContact O-N 3.05Å; K599-G601 PolarHBondContact O-N 3.03Å; K599-G601 VanDerWaalsContact O-N 3.11Å
602	I	92.8	Very high	92.2	Very high	75 Å²	75	46.2 Å²	46.2	39%	0.385	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.3	-178.6	-51.3	171	0	0	0	108.8	K408 L598 K599 Q604	K408-I602 HydrophobicContact CB-CD1 4.22Å; K408-I602 HydrophobicContact CB-CG1 3.74Å; K408-I602 HydrophobicContact CD-CD1 4.33Å; K408-I602 HydrophobicContact CD-CG1 4.4Å; L598-I602 WeakPolarHBondContact CA-O 3.23Å; K599-I602 PolarHBondContact N-O 2.97Å; K599-I602 PolarHBondContact O-N 3.37Å; K599-I602 VanDerWaalsContact O-N 3.09Å; I602-Q604 PolarHBondContact O-N 3.35Å
603	I	92.9	Very high	92.1	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.169	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.4	169.2	-70.5	159.2	0	0	0	108.3	L410 F412 F596 V597 L598 E605 Q606	L410-I603 HydrophobicContact CD1-CD1 3.71Å; L410-I603 HydrophobicContact CD1-CG1 3.6Å; L410-I603 HydrophobicContact CG-CD1 4.22Å; F412-I603 HydrophobicContact CB-CD1 3.99Å; F412-I603 HydrophobicContact CD1-CD1 3.51Å; F412-I603 HydrophobicContact CE1-CD1 4.35Å; F412-I603 HydrophobicContact CG-CD1 4.04Å; F596-I603 HydrophobicContact CB-CG1 4.42Å; F596-I603 HydrophobicContact CD1-CD1 3.8Å; F596-I603 HydrophobicContact CD1-CG1 4.31Å; F596-I603 HydrophobicContact CD1-CG2 4.1Å; F596-I603 HydrophobicContact CE1-CD1 4.37Å; F596-I603 HydrophobicContact CG-CD1 4.42Å; V597-I603 WeakPolarHBondContact O-CA 3.44Å; L598-I603 HydrophobicContact CD1-CG1 4.1Å; L598-I603 HydrophobicContact CG-CG1 4.46Å; I603-E605 WeakPolarHBondContact CG2-O 3.47Å; I603-Q606 HydrophobicContact CG2-CB 4.39Å
604	Q	91.6	Very high	92	Very high	117 Å²	117	52 Å²	52	55%	0.547	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-40.5	176.1	-76.7	-81.8	-28.4	0	0	111.5	V597 K599 I602 I618	V597-Q604 PolarHBondContact O-N 3.29Å; K599-Q604 HydrophobicContact CB-CG 3.79Å; I602-Q604 PolarHBondContact O-N 3.35Å; Q604-I618 HydrophobicContact CB-CD1 3.78Å; Q604-I618 HydrophobicContact CG-CD1 3.88Å
605	E	92.9	Very high	91.8	Very high	14 Å²	14	54 Å²	54	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147	-177	-65.5	155.9	-136.7	0	0	109.9	V597 I603 L612 A617 I618 Y619	V597-E605 HydrophobicContact CB-CB 3.93Å; V597-E605 HydrophobicContact CG2-CB 3.78Å; V597-E605 PolarHBondContact N-O 2.86Å; I603-E605 WeakPolarHBondContact CG2-O 3.47Å; E605-L612 HydrophobicContact CB-CD2 3.67Å; E605-L612 HydrophobicContact CG-CD2 4.5Å; E605-A617 HydrophobicContact CG-CB 4.22Å; E605-A617 WeakPolarHBondContact OE1-CB 3.35Å; E605-I618 WeakPolarHBondContact OE1-CA 3.35Å; E605-I618 WeakPolarHBondContact OE1-CB 3.35Å; E605-I618 WeakPolarHBondContact OE1-CD1 3.38Å; E605-I618 WeakPolarHBondContact OE1-CG1 3.44Å; E605-I618 PolarHBondContact OE1-N 3.42Å; E605-I618 PolarHBondContact OE2-N 3.13Å; E605-Y619 WeakPolarHBondContact OE2-CB 3.28Å; E605-Y619 PolarHBondContact OE2-N 3.24Å
606	Q	93.7	Very high	91.4	Very high	96 Å²	96	62.7 Å²	62.7	45%	0.449	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.8	172	61.6	174.5	-4.9	0	0	110.4	I595 F596 I603	I595-Q606 VanDerWaalsContact O-CA 3.24Å; I595-Q606 WeakPolarHBondContact O-CA 3.42Å; F596-Q606 HydrophobicContact CD1-CB 3.78Å; F596-Q606 HydrophobicContact CE1-CB 3.98Å; F596-Q606 VanDerWaalsContact CE1-OE1 3.28Å; I603-Q606 HydrophobicContact CG2-CB 4.39Å
607	G	93.5	Very high	91.1	Very high	2 Å²	2	64.5 Å²	64.5	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-176.2	178.9	0	0	0	0	0	112.4	I595 E611	I595-G607 PolarHBondContact N-O 2.86Å; I595-G607 PolarHBondContact O-N 2.84Å; I595-G607 VanDerWaalsContact O-N 3.16Å; G607-E611 WeakPolarHBondContact CA-OE2 3.22Å
608	S	93.5	Very high	90.8	Very high	28 Å²	28	66 Å²	66	20%	0.196	32%	0.317	C	S	.	.			trans	-71.9	166.5	167	77.8	0	0	0	0	111.1	E610 E611 L612	S608-E610 PolarHBondContact O-N 3.01Å; S608-E610 PolarHBondContact OG-N 3.07Å; S608-E611 PolarHBondContact N-OE2 3.45Å; S608-E611 PolarHBondContact O-N 3.11Å; S608-E611 WeakPolarHBondContact OG-CG 3.5Å; S608-E611 PolarHBondContact OG-N 3.26Å; S608-L612 WeakPolarHBondContact O-CB 3.38Å; S608-L612 WeakPolarHBondContact O-CG 3.07Å; S608-L612 PolarHBondContact O-N 2.76Å
609	H	92	Very high	90.8	Very high	31 Å²	31	66 Å²	66	14%	0.144	32%	0.317	C	S	.	.	H	α-helix	trans	-53.1	-44.5	174	176.4	72.6	0	0	0	111.8	K590 I595 L612 M613 Y619	K590-H609 WeakPolarHBondContact CE-NE2 3.18Å; I595-H609 HydrophobicContact CD1-CB 4.19Å; H609-L612 PolarHBondContact O-N 3.44Å; H609-M613 WeakPolarHBondContact O-CB 3.41Å; H609-M613 WeakPolarHBondContact O-CG 3.33Å; H609-M613 PolarHBondContact O-N 3.4Å; H609-Y619 AromaticContact CE1-CE1 3.98Å; H609-Y619 AromaticContact ND1-CE1 3.42Å; H609-Y619 WeakPolarHBondContact ND1-CE1 3.37Å; H609-Y619 AromaticContact ND1-CZ 3.61Å; H609-Y619 PolarHBondContact ND1-OH 3.24Å
610	E	92.1	Very high	90.7	Very high	141 Å²	141	65.7 Å²	65.7	66%	0.659	31%	0.314	S	S	*	.	H	α-helix	trans	-67.4	-42.6	-178.4	-69.2	158.5	172	0	0	112.1	S608 M613 Q614	S608-E610 PolarHBondContact O-N 3.01Å; S608-E610 PolarHBondContact OG-N 3.07Å; E610-M613 PolarHBondContact O-N 3.01Å; E610-Q614 WeakPolarHBondContact O-CG 3.31Å; E610-Q614 PolarHBondContact O-N 3.44Å; E610-Q614 VanDerWaalsContact O-N 3.07Å
611	E	93.2	Very high	90.6	Very high	104 Å²	104	63.5 Å²	63.5	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.3	-71.3	171.8	172.4	0	0	111.6	G607 S608 Q614 Q615	G607-E611 WeakPolarHBondContact CA-OE2 3.22Å; S608-E611 PolarHBondContact N-OE2 3.45Å; S608-E611 PolarHBondContact O-N 3.11Å; S608-E611 WeakPolarHBondContact OG-CG 3.5Å; S608-E611 PolarHBondContact OG-N 3.26Å; E611-Q614 PolarHBondContact O-N 3.25Å; E611-Q615 WeakPolarHBondContact O-CG 3.37Å; E611-Q615 PolarHBondContact O-N 3.27Å; E611-Q615 VanDerWaalsContact O-N 3.14Å
612	L	91.4	Very high	90.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.2	-34	-179.5	-68.6	176.9	0	0	0	112.6	I595 V597 E605 S608 H609 Q614 Q615 Y619	I595-L612 HydrophobicContact CB-CD1 3.67Å; I595-L612 HydrophobicContact CD1-CD1 4.49Å; I595-L612 HydrophobicContact CG2-CD1 3.9Å; V597-L612 HydrophobicContact CG2-CD1 4.37Å; E605-L612 HydrophobicContact CB-CD2 3.67Å; E605-L612 HydrophobicContact CG-CD2 4.5Å; S608-L612 WeakPolarHBondContact O-CB 3.38Å; S608-L612 WeakPolarHBondContact O-CG 3.07Å; S608-L612 PolarHBondContact O-N 2.76Å; H609-L612 PolarHBondContact O-N 3.44Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; L612-Q615 PolarHBondContact O-N 3.01Å; L612-Y619 HydrophobicContact CB-CD1 3.45Å; L612-Y619 VanDerWaalsContact CB-CD1 3.45Å; L612-Y619 HydrophobicContact CB-CE1 4.13Å; L612-Y619 HydrophobicContact CB-CG 3.87Å; L612-Y619 HydrophobicContact CD1-CD1 4.11Å; L612-Y619 HydrophobicContact CD1-CD2 4.14Å; L612-Y619 HydrophobicContact CD1-CG 3.88Å; L612-Y619 HydrophobicContact CG-CD1 4.43Å; L612-Y619 HydrophobicContact CG-CG 4.48Å
613	M	89.8	Confident	90.1	Very high	49 Å²	49	62.1 Å²	62.1	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-34.8	173.3	-74.1	-64.8	-69.9	0	0	112	H609 E610 Y619 Y620 V623	H609-M613 WeakPolarHBondContact O-CB 3.41Å; H609-M613 WeakPolarHBondContact O-CG 3.33Å; H609-M613 PolarHBondContact O-N 3.4Å; E610-M613 PolarHBondContact O-N 3.01Å; M613-Y619 HydrophobicContact CG-CE1 4.34Å; M613-Y619 HydrophobicContact SD-CD1 4.46Å; M613-Y619 HydrophobicContact SD-CE1 4.33Å; M613-Y620 HydrophobicContact CE-CD2 3.61Å; M613-Y620 HydrophobicContact CE-CE2 3.76Å; M613-Y620 WeakPolarHBondContact O-CD2 3.42Å; M613-Y620 HydrophobicContact SD-CD2 3.72Å; M613-Y620 HydrophobicContact SD-CE2 4.47Å; M613-V623 HydrophobicContact CE-CG1 4.31Å; M613-V623 HydrophobicContact SD-CB 4.09Å; M613-V623 HydrophobicContact SD-CG1 4.03Å; M613-V623 HydrophobicContact SD-CG2 4.19Å
614	Q	90.8	Very high	89.5	Confident	160 Å²	160	63.7 Å²	63.7	75%	0.748	31%	0.309	S	S	*	.	H	α-helix	trans	-70.1	-34.7	175.1	-74	177.2	11	0	0	112.9	E610 E611 L612 R616	E610-Q614 WeakPolarHBondContact O-CG 3.31Å; E610-Q614 PolarHBondContact O-N 3.44Å; E610-Q614 VanDerWaalsContact O-N 3.07Å; E611-Q614 PolarHBondContact O-N 3.25Å; L612-Q614 VanDerWaalsContact C-N 3.33Å; Q614-R616 PolarHBondContact O-N 2.98Å
615	Q	89.7	Confident	88.8	Confident	106 Å²	106	60.6 Å²	60.6	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-21.9	178.7	-73.4	177.3	12.3	0	0	113.6	E611 L612 A617	E611-Q615 WeakPolarHBondContact O-CG 3.37Å; E611-Q615 PolarHBondContact O-N 3.27Å; E611-Q615 VanDerWaalsContact O-N 3.14Å; L612-Q615 PolarHBondContact O-N 3.01Å; Q615-A617 PolarHBondContact O-N 3.47Å
616	R	86.1	Confident	87.7	Confident	183 Å²	183	61.1 Å²	61.1	69%	0.691	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38	179.5	-66	-173.7	172.3	-170.3	-1.7	114.3	Q614 Y620	Q614-R616 PolarHBondContact O-N 2.98Å; R616-Y620 HydrophobicContact CB-CD1 4.08Å; R616-Y620 HydrophobicContact CB-CE1 4.42Å; R616-Y620 HydrophobicContact CB-CG 4.3Å; R616-Y620 HydrophobicContact CG-CD1 4.2Å; R616-Y620 HydrophobicContact CG-CD2 4.29Å; R616-Y620 HydrophobicContact CG-CE1 4.21Å; R616-Y620 HydrophobicContact CG-CE2 4.31Å; R616-Y620 HydrophobicContact CG-CG 4.25Å
617	A	88.9	Confident	86.4	Confident	39 Å²	39	60.4 Å²	60.4	32%	0.322	30%	0.302	S	S	.	.	S	Bend	trans	-101.6	-141.4	-178.9	0	0	0	0	0	112.2	E605 Q615 Y620 S621	E605-A617 HydrophobicContact CG-CB 4.22Å; E605-A617 WeakPolarHBondContact OE1-CB 3.35Å; Q615-A617 PolarHBondContact O-N 3.47Å; A617-Y620 PolarHBondContact O-N 2.87Å; A617-S621 PolarHBondContact O-N 3Å; A617-S621 VanDerWaalsContact O-N 3.09Å
618	I	87.9	Confident	84.5	Confident	32 Å²	32	64 Å²	64	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-40.4	-175	-54.9	160.6	0	0	0	111.1	V597 K599 Q604 E605 S621 M622	V597-I618 HydrophobicContact CG1-CB 4.2Å; V597-I618 HydrophobicContact CG1-CG2 4.01Å; K599-I618 HydrophobicContact CD-CD1 3.82Å; Q604-I618 HydrophobicContact CB-CD1 3.78Å; Q604-I618 HydrophobicContact CG-CD1 3.88Å; E605-I618 WeakPolarHBondContact OE1-CA 3.35Å; E605-I618 WeakPolarHBondContact OE1-CB 3.35Å; E605-I618 WeakPolarHBondContact OE1-CD1 3.38Å; E605-I618 WeakPolarHBondContact OE1-CG1 3.44Å; E605-I618 PolarHBondContact OE1-N 3.42Å; E605-I618 PolarHBondContact OE2-N 3.13Å; I618-S621 PolarHBondContact O-N 3.32Å; I618-S621 PolarHBondContact O-OG 3.4Å; I618-M622 HydrophobicContact CG2-CE 3.87Å; I618-M622 WeakPolarHBondContact O-CG 3.46Å; I618-M622 PolarHBondContact O-N 3.38Å
619	Y	89.9	Confident	82.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-48	176.9	-176.9	-101.8	0	0	0	111.8	V423 L586 I589 I595 V597 E605 H609 L612 M613 S621 M622 V623	V423-Y619 HydrophobicContact CG2-CD2 3.95Å; V423-Y619 HydrophobicContact CG2-CE2 4.17Å; L586-Y619 HydrophobicContact CD2-CD2 3.99Å; L586-Y619 HydrophobicContact CD2-CE2 3.37Å; I589-Y619 HydrophobicContact CD1-CE2 4.43Å; I595-Y619 HydrophobicContact CD1-CE2 3.92Å; I595-Y619 WeakPolarHBondContact CD1-OH 3.34Å; I595-Y619 HydrophobicContact CG2-CD2 4.12Å; I595-Y619 HydrophobicContact CG2-CE2 3.85Å; V597-Y619 HydrophobicContact CG2-CD2 4.15Å; V597-Y619 HydrophobicContact CG2-CG 4.42Å; E605-Y619 WeakPolarHBondContact OE2-CB 3.28Å; E605-Y619 PolarHBondContact OE2-N 3.24Å; H609-Y619 AromaticContact CE1-CE1 3.98Å; H609-Y619 AromaticContact ND1-CE1 3.42Å; H609-Y619 WeakPolarHBondContact ND1-CE1 3.37Å; H609-Y619 AromaticContact ND1-CZ 3.61Å; H609-Y619 PolarHBondContact ND1-OH 3.24Å; L612-Y619 HydrophobicContact CB-CD1 3.45Å; L612-Y619 VanDerWaalsContact CB-CD1 3.45Å; L612-Y619 HydrophobicContact CB-CE1 4.13Å; L612-Y619 HydrophobicContact CB-CG 3.87Å; L612-Y619 HydrophobicContact CD1-CD1 4.11Å; L612-Y619 HydrophobicContact CD1-CD2 4.14Å; L612-Y619 HydrophobicContact CD1-CG 3.88Å; L612-Y619 HydrophobicContact CG-CD1 4.43Å; L612-Y619 HydrophobicContact CG-CG 4.48Å; M613-Y619 HydrophobicContact CG-CE1 4.34Å; M613-Y619 HydrophobicContact SD-CD1 4.46Å; M613-Y619 HydrophobicContact SD-CE1 4.33Å; Y619-S621 VanDerWaalsContact C-N 3.31Å; Y619-S621 PolarHBondContact O-N 3.04Å; Y619-M622 PolarHBondContact O-N 2.97Å; Y619-V623 HydrophobicContact CD1-CG2 4.02Å; Y619-V623 HydrophobicContact CE1-CG2 3.59Å; Y619-V623 HydrophobicContact CE2-CG2 4.29Å; Y619-V623 WeakPolarHBondContact O-CG2 3.48Å; Y619-V623 PolarHBondContact O-N 3.25Å
620	Y	88.3	Confident	80.4	Confident	62 Å²	62	70.1 Å²	70.1	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-42.3	178.7	176.3	-97.6	0	0	0	111.8	M613 R616 A617 V623 L624	M613-Y620 HydrophobicContact CE-CD2 3.61Å; M613-Y620 HydrophobicContact CE-CE2 3.76Å; M613-Y620 WeakPolarHBondContact O-CD2 3.42Å; M613-Y620 HydrophobicContact SD-CD2 3.72Å; M613-Y620 HydrophobicContact SD-CE2 4.47Å; R616-Y620 HydrophobicContact CB-CD1 4.08Å; R616-Y620 HydrophobicContact CB-CE1 4.42Å; R616-Y620 HydrophobicContact CB-CG 4.3Å; R616-Y620 HydrophobicContact CG-CD1 4.2Å; R616-Y620 HydrophobicContact CG-CD2 4.29Å; R616-Y620 HydrophobicContact CG-CE1 4.21Å; R616-Y620 HydrophobicContact CG-CE2 4.31Å; R616-Y620 HydrophobicContact CG-CG 4.25Å; A617-Y620 PolarHBondContact O-N 2.87Å; Y620-V623 PolarHBondContact O-N 3.46Å; Y620-L624 HydrophobicContact CD1-CD1 3.81Å; Y620-L624 HydrophobicContact CE1-CD1 3.2Å; Y620-L624 HydrophobicContact CE1-CG 4.27Å; Y620-L624 HydrophobicContact CE2-CD1 4.37Å; Y620-L624 PolarHBondContact O-N 2.91Å
621	S	84.9	Confident	78	Confident	61 Å²	61	68.2 Å²	68.2	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-37	177.3	69.1	0	0	0	0	112.7	A617 I618 Y619 A625	A617-S621 PolarHBondContact O-N 3Å; A617-S621 VanDerWaalsContact O-N 3.09Å; I618-S621 PolarHBondContact O-N 3.32Å; I618-S621 PolarHBondContact O-OG 3.4Å; Y619-S621 VanDerWaalsContact C-N 3.31Å; Y619-S621 PolarHBondContact O-N 3.04Å; S621-A625 WeakPolarHBondContact O-CB 3.47Å; S621-A625 PolarHBondContact O-N 3.33Å
622	M	84.6	Confident	75.5	Confident	37 Å²	37	63.6 Å²	63.6	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-40.7	173.3	-75.2	-170.6	-70.6	0	0	112.1	V423 L586 V597 I618 Y619 A625 Q626	V423-M622 HydrophobicContact CG2-CE 4.39Å; L586-M622 VanDerWaalsContact CD1-C 3.43Å; L586-M622 HydrophobicContact CD1-CB 3.76Å; L586-M622 WeakPolarHBondContact CD1-O 3.45Å; V597-M622 HydrophobicContact CG1-CE 3.65Å; I618-M622 HydrophobicContact CG2-CE 3.87Å; I618-M622 WeakPolarHBondContact O-CG 3.46Å; I618-M622 PolarHBondContact O-N 3.38Å; Y619-M622 PolarHBondContact O-N 2.97Å; M622-A625 PolarHBondContact O-N 2.92Å; M622-Q626 PolarHBondContact O-N 3.48Å
623	V	83.8	Confident	73.1	Confident	9 Å²	9	68.1 Å²	68.1	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-44.6	177.6	172.3	0	0	0	0	110.7	L586 M613 Y619 Y620 Q626 Q627	L586-V623 HydrophobicContact CB-CG2 4.24Å; L586-V623 HydrophobicContact CD1-CG2 4.04Å; L586-V623 HydrophobicContact CD2-CG2 4.12Å; L586-V623 HydrophobicContact CG-CG2 4.37Å; M613-V623 HydrophobicContact CE-CG1 4.31Å; M613-V623 HydrophobicContact SD-CB 4.09Å; M613-V623 HydrophobicContact SD-CG1 4.03Å; M613-V623 HydrophobicContact SD-CG2 4.19Å; Y619-V623 HydrophobicContact CD1-CG2 4.02Å; Y619-V623 HydrophobicContact CE1-CG2 3.59Å; Y619-V623 HydrophobicContact CE2-CG2 4.29Å; Y619-V623 WeakPolarHBondContact O-CG2 3.48Å; Y619-V623 PolarHBondContact O-N 3.25Å; Y620-V623 PolarHBondContact O-N 3.46Å; V623-Q626 PolarHBondContact O-N 2.84Å; V623-Q627 HydrophobicContact CG1-CG 4.39Å; V623-Q627 WeakPolarHBondContact O-CB 3.41Å; V623-Q627 WeakPolarHBondContact O-CG 3.12Å; V623-Q627 PolarHBondContact O-N 3.47Å
624	L	80.8	Confident	70.2	Confident	66 Å²	66	70 Å²	70	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-48.2	174.2	-88.1	167.7	0	0	0	111.5	Y620 Q626 Q627 I628	Y620-L624 HydrophobicContact CD1-CD1 3.81Å; Y620-L624 HydrophobicContact CE1-CD1 3.2Å; Y620-L624 HydrophobicContact CE1-CG 4.27Å; Y620-L624 HydrophobicContact CE2-CD1 4.37Å; Y620-L624 PolarHBondContact O-N 2.91Å; L624-Q626 VanDerWaalsContact C-N 3.29Å; L624-Q626 PolarHBondContact O-N 2.75Å; L624-Q627 PolarHBondContact O-N 3.38Å; L624-I628 WeakPolarHBondContact O-CB 3.28Å; L624-I628 WeakPolarHBondContact O-CD1 3.3Å; L624-I628 WeakPolarHBondContact O-CG1 3.12Å; L624-I628 PolarHBondContact O-N 2.72Å
625	A	76.7	Confident	67.3	Low	53 Å²	53	67.5 Å²	67.5	44%	0.438	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-39.8	179	0	0	0	0	0	112.3	S621 M622 I628 E629	S621-A625 WeakPolarHBondContact O-CB 3.47Å; S621-A625 PolarHBondContact O-N 3.33Å; M622-A625 PolarHBondContact O-N 2.92Å; A625-I628 WeakPolarHBondContact O-CB 3.47Å; A625-E629 PolarHBondContact O-N 3.01Å
626	Q	70.6	Confident	64.4	Low	25 Å²	25	68.1 Å²	68.1	12%	0.117	37%	0.371	C	S	.	.	H	α-helix	trans	-76.4	-35.8	176.5	-91.9	-169.9	-7.9	0	0	114.6	H584 L586 M622 V623 L624 I628 E629 E630	H584-Q626 PolarHBondContact O-NE2 3.22Å; L586-Q626 VanDerWaalsContact CB-OE1 3.29Å; L586-Q626 HydrophobicContact CD1-CB 4.16Å; L586-Q626 HydrophobicContact CD1-CG 4.16Å; L586-Q626 VanDerWaalsContact CG-OE1 3.31Å; M622-Q626 PolarHBondContact O-N 3.48Å; V623-Q626 PolarHBondContact O-N 2.84Å; L624-Q626 VanDerWaalsContact C-N 3.29Å; L624-Q626 PolarHBondContact O-N 2.75Å; Q626-I628 PolarHBondContact O-N 3.28Å; Q626-E629 CarbonylContact O-C 3.53Å; Q626-E629 WeakPolarHBondContact O-CA 3.41Å; Q626-E629 PolarHBondContact O-N 3.44Å; Q626-E630 PolarHBondContact O-N 3.33Å
627	Q	66	Low	61.5	Low	81 Å²	81	68.2 Å²	68.2	38%	0.379	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-34.2	173.2	-79.1	-175.2	-28.3	0	0	111.2	V623 L624 E630 N631	V623-Q627 HydrophobicContact CG1-CG 4.39Å; V623-Q627 WeakPolarHBondContact O-CB 3.41Å; V623-Q627 WeakPolarHBondContact O-CG 3.12Å; V623-Q627 PolarHBondContact O-N 3.47Å; L624-Q627 PolarHBondContact O-N 3.38Å; Q627-E630 PolarHBondContact O-N 3.1Å; Q627-N631 WeakPolarHBondContact O-CB 3.33Å; Q627-N631 PolarHBondContact O-N 2.86Å; Q627-N631 PolarHBondContact O-ND2 3.02Å
628	I	54.4	Low	58.5	Low	76 Å²	76	75.3 Å²	75.3	39%	0.39	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-43.1	171.1	-70.5	165.5	0	0	0	110.3	L624 A625 Q626 A632 N1230	L624-I628 WeakPolarHBondContact O-CB 3.28Å; L624-I628 WeakPolarHBondContact O-CD1 3.3Å; L624-I628 WeakPolarHBondContact O-CG1 3.12Å; L624-I628 PolarHBondContact O-N 2.72Å; A625-I628 WeakPolarHBondContact O-CB 3.47Å; Q626-I628 PolarHBondContact O-N 3.28Å; I628-A632 WeakPolarHBondContact O-CB 3.37Å; I628-A632 PolarHBondContact O-N 3.16Å; I628-N1230 WeakPolarHBondContact CG2-ND2 3.45Å
629	E	50.9	Low	55.5	Low	118 Å²	118	79.2 Å²	79.2	55%	0.551	44%	0.436	S	S	*	.	H	α-helix	trans	-71.3	-31.6	174.4	-75.8	-175.9	157.4	0	0	114.8	A625 Q626 A632 I633	A625-E629 PolarHBondContact O-N 3.01Å; Q626-E629 CarbonylContact O-C 3.53Å; Q626-E629 WeakPolarHBondContact O-CA 3.41Å; Q626-E629 PolarHBondContact O-N 3.44Å; E629-A632 VanDerWaalsContact O-CB 3.28Å; E629-A632 WeakPolarHBondContact O-CB 3.46Å; E629-I633 VanDerWaalsContact O-CD1 3.28Å; E629-I633 WeakPolarHBondContact O-CD1 3.44Å; E629-I633 VanDerWaalsContact O-CG1 3.3Å; E629-I633 WeakPolarHBondContact O-CG1 3.45Å
630	E	47.7	Very low	52.3	Low	70 Å²	70	86.3 Å²	86.3	33%	0.327	47%	0.474	S	S	.	.	H	α-helix	trans	-81.2	-37.2	179.3	-79.7	-178.5	165.4	0	0	111.8	S587 Q626 Q627 A632 I633 T634	S587-E630 PolarHBondContact OG-OE1 3.3Å; Q626-E630 PolarHBondContact O-N 3.33Å; Q627-E630 PolarHBondContact O-N 3.1Å; E630-A632 PolarHBondContact O-N 3.38Å; E630-I633 PolarHBondContact O-N 2.9Å; E630-T634 PolarHBondContact O-N 2.95Å; E630-T634 PolarHBondContact O-OG1 2.97Å
631	N	40.9	Very low	49.2	Very low	101 Å²	101	89.1 Å²	89.1	54%	0.54	50%	0.503	S	S	.	.	H	α-helix	trans	-71.2	-20.6	172.9	-70.7	-30.9	0	0	0	112.7	Q627 I633 R1227	Q627-N631 WeakPolarHBondContact O-CB 3.33Å; Q627-N631 PolarHBondContact O-N 2.86Å; Q627-N631 PolarHBondContact O-ND2 3.02Å; N631-I633 VanDerWaalsContact C-N 3.32Å; N631-R1227 PolarHBondContact O-NH2 3.22Å
632	A	42.1	Very low	46.2	Very low	7 Å²	7	90.8 Å²	90.8	6%	0.058	51%	0.514	C	S	.	.	H	α-helix	trans	-61.8	-41.1	163.7	0	0	0	0	0	110.9	I628 E629 E630 M1228	I628-A632 WeakPolarHBondContact O-CB 3.37Å; I628-A632 PolarHBondContact O-N 3.16Å; E629-A632 VanDerWaalsContact O-CB 3.28Å; E629-A632 WeakPolarHBondContact O-CB 3.46Å; E630-A632 PolarHBondContact O-N 3.38Å; A632-M1228 HydrophobicContact CB-CB 3.7Å; A632-M1228 HydrophobicContact CB-CG 3.91Å; A632-M1228 HydrophobicContact CB-SD 4.42Å; A632-M1228 WeakPolarHBondContact O-CE 3.34Å; A632-M1228 WeakPolarHBondContact O-CG 3.5Å
633	I	40.5	Very low	43.5	Very low	96 Å²	96	100.4 Å²	100.4	49%	0.492	55%	0.55	S	S	.	*	H	α-helix	trans	-89.5	-11.8	-166.3	-65	165.9	0	0	0	114.8	E629 E630 N631 P635 M1228	E629-I633 VanDerWaalsContact O-CD1 3.28Å; E629-I633 WeakPolarHBondContact O-CD1 3.44Å; E629-I633 VanDerWaalsContact O-CG1 3.3Å; E629-I633 WeakPolarHBondContact O-CG1 3.45Å; E630-I633 PolarHBondContact O-N 2.9Å; N631-I633 VanDerWaalsContact C-N 3.32Å; I633-P635 WeakPolarHBondContact O-CD 3.45Å; I633-M1228 HydrophobicContact CG1-SD 4Å
634	T	27.9	Very low	40.6	Very low	89 Å²	89	106.4 Å²	106.4	55%	0.546	58%	0.582	S	S	.	*			trans	-80.2	115.4	-177.6	7.9	0	0	0	0	113.2	E630	E630-T634 PolarHBondContact O-N 2.95Å; E630-T634 PolarHBondContact O-OG1 2.97Å
635	P	30.7	Very low	37.8	Very low	106 Å²	106	108.9 Å²	108.9	69%	0.688	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-85.3	141.3	158.7	10	11.4	0	0	0	109.3	I633 E637	I633-P635 WeakPolarHBondContact O-CD 3.45Å; P635-E637 PolarHBondContact O-N 2.86Å
636	S	27.9	Very low	35.3	Very low	119 Å²	119	110.3 Å²	110.3	83%	0.832	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-47.5	126.7	173.6	48.6	0	0	0	0	113.3
637	E	26.5	Very low	33.2	Very low	186 Å²	186	118 Å²	118	87%	0.869	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-67.1	124.8	162.2	-72.3	-178.4	157	0	0	110.4	P635	P635-E637 PolarHBondContact O-N 2.86Å
638	Q	24.7	Very low	31.3	Very low	187 Å²	187	123.7 Å²	123.7	87%	0.874	67%	0.674	S	S	*	*			trans	159.9	95.7	135.8	-88.9	179.8	2.5	0	0	109.7
639	S	24.8	Very low	29.8	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	69%	0.687	S	S	*	*	S	Bend	trans	172.9	132.8	134.4	36	0	0	0	0	112.2
640	D	24.6	Very low	28.5	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	70%	0.703	S	S	*	*			trans	68.5	89.3	158.9	-60.6	-10.9	0	0	0	120.9	S642	D640-S642 PolarHBondContact O-N 2.77Å
641	S	22.1	Very low	27.5	Very low	122 Å²	122	131.2 Å²	131.2	85%	0.853	72%	0.718	S	S	*	*			trans	-57.3	99.8	147.2	54.3	0	0	0	0	111.6
642	S	23	Very low	26.8	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	73%	0.728	S	S	*	*			trans	-174.9	93	146.3	44.5	0	0	0	0	109.3	D640	D640-S642 PolarHBondContact O-N 2.77Å
643	Y	26.6	Very low	26.2	Very low	238 Å²	238	139.5 Å²	139.5	93%	0.933	77%	0.767	S	S	*	*			trans	-134.6	124.4	155.2	-95.7	-77.9	0	0	0	110.3
644	D	23.3	Very low	25.7	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	77%	0.766	S	S	*	*			trans	-62.6	129.5	-171.6	-135.3	-18.5	0	0	0	110.9	S646	D644-S646 VanDerWaalsContact C-N 3.28Å; D644-S646 PolarHBondContact O-N 3.49Å
645	S	22.9	Very low	25.8	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	78%	0.776	S	S	*	*	S	Bend	trans	-73.2	79.5	166.3	46.7	0	0	0	0	109.4
646	S	23.6	Very low	25.7	Very low	83 Å²	83	143.5 Å²	143.5	58%	0.58	78%	0.776	S	S	*	*			trans	-168.4	138.6	167.4	36.2	0	0	0	0	111.7	D644	D644-S646 VanDerWaalsContact C-N 3.28Å; D644-S646 PolarHBondContact O-N 3.49Å
647	E	25.9	Very low	25.8	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	76%	0.763	S	S	*	*			trans	84.3	56.2	166.9	-54.8	-173.6	166.7	0	0	119.3
648	Q	25.7	Very low	26	Very low	201 Å²	201	141.7 Å²	141.7	94%	0.939	76%	0.756	S	S	*	*			trans	-139.9	62	141.7	-75.2	-166.4	-11.9	0	0	110.4
649	Q	23.6	Very low	26.2	Very low	139 Å²	139	137 Å²	137	65%	0.65	74%	0.737	S	S	*	*			trans	-139.9	66	170.7	-100.2	-175.6	-8.6	0	0	108.8
650	E	24.5	Very low	26.5	Very low	191 Å²	191	134.5 Å²	134.5	89%	0.893	72%	0.723	S	S	*	*			trans	-162.1	145.2	161.1	-115.8	166.9	-164.3	0	0	110.7
651	S	25.5	Very low	26.8	Very low	92 Å²	92	135 Å²	135	64%	0.643	72%	0.718	S	S	*	*			trans	86.8	70.3	177.6	79.6	0	0	0	0	118.9
652	C	27.4	Very low	27.5	Very low	111 Å²	111	134.1 Å²	134.1	75%	0.75	70%	0.7	S	S	*	*	S	Bend	trans	-134.5	16.1	142.2	-101.6	0	0	0	0	113.2
653	I	28.9	Very low	28.3	Very low	171 Å²	171	137.8 Å²	137.8	88%	0.877	70%	0.704	S	S	*	*	S	Bend	trans	-87.8	-2.3	-177.5	-64.9	177	0	0	0	112.6
654	S	28.7	Very low	28.7	Very low	68 Å²	68	134.2 Å²	134.2	48%	0.476	70%	0.696	S	S	.	*			trans	-98.7	-9.2	-171.4	61.7	0	0	0	0	116.6	Q656 C657	S654-Q656 VanDerWaalsContact C-N 3.3Å; S654-Q656 PolarHBondContact O-N 3.45Å; S654-C657 PolarHBondContact O-N 2.95Å
655	E	31.4	Very low	29.5	Very low	162 Å²	162	136.1 Å²	136.1	76%	0.757	70%	0.698	S	S	*	*	H	α-helix	trans	-72.2	-17	-175.2	-83.5	-169.2	153.5	0	0	114.8
656	Q	29.1	Very low	30.7	Very low	144 Å²	144	133.9 Å²	133.9	67%	0.673	68%	0.679	S	S	*	*	H	α-helix	trans	-86.4	-7.1	175.5	-73.4	-178.5	2.5	0	0	114.2	S654	S654-Q656 VanDerWaalsContact C-N 3.3Å; S654-Q656 PolarHBondContact O-N 3.45Å
657	C	28.1	Very low	32.1	Very low	83 Å²	83	137.1 Å²	137.1	56%	0.561	69%	0.689	S	S	*	*	H	α-helix	trans	-94.7	-16.5	178.5	-125.3	0	0	0	0	113.9	S654	S654-C657 PolarHBondContact O-N 2.95Å
658	Y	30.9	Very low	33.6	Very low	184 Å²	184	132.8 Å²	132.8	72%	0.722	68%	0.68	S	S	*	*	H	α-helix	trans	-84.6	-36.3	179.3	-91.2	-83.1	0	0	0	113.3	A660 K661	Y658-A660 VanDerWaalsContact C-N 3.29Å; Y658-A660 PolarHBondContact O-N 2.9Å; Y658-K661 PolarHBondContact O-N 3.32Å
659	D	29.6	Very low	35.5	Very low	90 Å²	90	124.7 Å²	124.7	48%	0.481	64%	0.642	S	S	.	*	H	α-helix	trans	-71.4	-21.1	-176.2	-108.2	-4.4	0	0	0	114.6
660	A	31.9	Very low	37.5	Very low	61 Å²	61	120.2 Å²	120.2	50%	0.504	63%	0.634	S	S	.	*	H	α-helix	trans	-82.6	-29.6	176	0	0	0	0	0	112.8	Y658	Y658-A660 VanDerWaalsContact C-N 3.29Å; Y658-A660 PolarHBondContact O-N 2.9Å
661	K	30.8	Very low	39.5	Very low	159 Å²	159	114.3 Å²	114.3	69%	0.691	61%	0.605	S	S	*	*	H	α-helix	trans	-80.8	-32.7	-175.8	-79.2	-179	178.1	174	0	113	Y658 Q664	Y658-K661 PolarHBondContact O-N 3.32Å; K661-Q664 PolarHBondContact O-N 3.17Å
662	E	37.1	Very low	41.7	Very low	104 Å²	104	119.5 Å²	119.5	49%	0.486	61%	0.611	S	S	.	*	H	α-helix	trans	-78.3	-26.8	-180	-118.6	-161.7	148.7	0	0	113.9	Q664 R966	E662-Q664 PolarHBondContact O-N 3.08Å; E662-R966 IonicContact OE1-CZ 2.84Å; E662-R966 IonicContact OE1-NH1 2.75Å; E662-R966 PolarHBondContact OE1-NH1 3.11Å; E662-R966 IonicContact OE1-NH2 3.43Å; E662-R966 PolarHBondContact OE1-NH2 3.33Å
663	K	38.8	Very low	43.8	Very low	172 Å²	172	117 Å²	117	75%	0.748	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-9.9	173.2	-78.6	177.5	-179.7	165.4	0	113.7
664	Q	35.1	Very low	45.9	Very low	164 Å²	164	108.8 Å²	108.8	77%	0.766	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	4	-167.2	-129.1	168	0	0	0	116.3	K661 E662	K661-Q664 PolarHBondContact O-N 3.17Å; E662-Q664 PolarHBondContact O-N 3.08Å
665	K	39.5	Very low	47.8	Very low	175 Å²	175	107.4 Å²	107.4	76%	0.761	54%	0.541	S	S	*	.			trans	-130.7	55.7	165.6	-77.5	-175	178.4	177.8	0	111.4	L667	K665-L667 PolarHBondContact O-N 3.16Å
666	V	49.6	Very low	49.9	Very low	72 Å²	72	101.1 Å²	101.1	44%	0.436	52%	0.519	S	S	.	.			trans	-71.1	91.1	162.9	-173.2	0	0	0	0	106.5	S668 A962	V666-S668 PolarHBondContact O-N 3.33Å; V666-A962 HydrophobicContact CG1-CB 3.39Å
667	L	53.2	Low	52	Low	150 Å²	150	96.1 Å²	96.1	79%	0.785	50%	0.5	S	S	*	.			trans	-53.3	109.7	168.7	-102.8	109.5	0	0	0	107	K665 I669	K665-L667 PolarHBondContact O-N 3.16Å; L667-I669 PolarHBondContact O-N 2.86Å; L667-I669 VanDerWaalsContact O-N 3.16Å
668	S	56.5	Low	54.1	Low	96 Å²	96	92.5 Å²	92.5	67%	0.671	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-66.1	118.2	-178.4	59.8	0	0	0	0	108.6	V666 G670	V666-S668 PolarHBondContact O-N 3.33Å; S668-G670 PolarHBondContact O-N 2.92Å
669	I	65.5	Low	56.1	Low	31 Å²	31	91.3 Å²	91.3	16%	0.159	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-64	129.5	172.5	-67.7	-178.3	0	0	0	108.6	L667 I674 A962 F965	L667-I669 PolarHBondContact O-N 2.86Å; L667-I669 VanDerWaalsContact O-N 3.16Å; I669-I674 HydrophobicContact CG2-CG1 4.28Å; I669-A962 HydrophobicContact CD1-CB 4.49Å; I669-A962 HydrophobicContact CG1-CB 4.29Å; I669-F965 HydrophobicContact CD1-CB 3.22Å; I669-F965 HydrophobicContact CD1-CD2 3.68Å; I669-F965 HydrophobicContact CD1-CG 3.73Å
670	G	64.7	Low	58.4	Low	45 Å²	45	96.4 Å²	96.4	46%	0.464	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60.1	139.4	178.1	0	0	0	0	0	111.1	S668 W672 S673	S668-G670 PolarHBondContact O-N 2.92Å; G670-W672 PolarHBondContact O-N 3.25Å; G670-S673 WeakPolarHBondContact O-CB 3.49Å; G670-S673 PolarHBondContact O-N 2.92Å
671	F	67.7	Low	60.7	Low	67 Å²	67	95 Å²	95	29%	0.294	48%	0.476	S	S	.	.	H	α-helix	trans	-45.8	-41.1	177.7	174.6	-93.4	0	0	0	112.8	S673 I674 V675 V784	F671-S673 VanDerWaalsContact C-N 3.3Å; F671-S673 PolarHBondContact O-N 3.45Å; F671-I674 PolarHBondContact O-N 3.08Å; F671-V675 HydrophobicContact CD1-CG2 4.09Å; F671-V675 HydrophobicContact CE1-CG2 3.66Å; F671-V675 HydrophobicContact CZ-CG2 3.93Å; F671-V675 PolarHBondContact O-N 3.2Å; F671-V784 HydrophobicContact CD2-CG1 3.36Å; F671-V784 HydrophobicContact CE2-CB 4.49Å; F671-V784 HydrophobicContact CE2-CG1 3.21Å; F671-V784 HydrophobicContact CG-CG1 4.4Å; F671-V784 HydrophobicContact CZ-CG1 4.14Å
672	W	70.8	Confident	63.2	Low	201 Å²	201	94.1 Å²	94.1	76%	0.761	47%	0.468	S	S	*	.	H	α-helix	trans	-65.8	-26.9	-179.6	-63	112	0	0	0	114.6	G670 G676	G670-W672 PolarHBondContact O-N 3.25Å; W672-G676 PolarHBondContact O-N 3.38Å
673	S	72.2	Confident	65.4	Low	57 Å²	57	93.7 Å²	93.7	40%	0.399	47%	0.466	S	S	.	.	H	α-helix	trans	-70.2	-35.7	175.3	-171	0	0	0	0	111.6	G670 F671 G676 S677	G670-S673 WeakPolarHBondContact O-CB 3.49Å; G670-S673 PolarHBondContact O-N 2.92Å; F671-S673 VanDerWaalsContact C-N 3.3Å; F671-S673 PolarHBondContact O-N 3.45Å; S673-G676 PolarHBondContact O-N 2.94Å; S673-S677 PolarHBondContact O-N 2.99Å; S673-S677 VanDerWaalsContact O-N 3.17Å; S673-S677 PolarHBondContact O-OG 3Å
674	I	71.7	Confident	67.5	Low	0 Å²	0	86.5 Å²	86.5	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-68.4	-47.5	175.9	-55.8	176	0	0	0	109.5	I669 F671 G676 S677 I781 V784 A961 F965	I669-I674 HydrophobicContact CG2-CG1 4.28Å; F671-I674 PolarHBondContact O-N 3.08Å; I674-G676 VanDerWaalsContact C-N 3.31Å; I674-G676 PolarHBondContact O-N 3.42Å; I674-S677 WeakPolarHBondContact O-CB 3.41Å; I674-S677 PolarHBondContact O-N 3.33Å; I674-S677 VanDerWaalsContact O-N 3.11Å; I674-I781 HydrophobicContact CG2-CG2 3.63Å; I674-V784 HydrophobicContact CB-CG1 4.43Å; I674-V784 HydrophobicContact CD1-CG1 4.44Å; I674-V784 HydrophobicContact CD1-CG2 4.06Å; I674-V784 HydrophobicContact CG2-CB 4.3Å; I674-V784 HydrophobicContact CG2-CG1 4.19Å; I674-V784 HydrophobicContact CG2-CG2 4.47Å; I674-A961 HydrophobicContact CD1-CB 3.52Å; I674-A961 HydrophobicContact CG1-CB 4.06Å; I674-F965 HydrophobicContact CG1-CE2 4.13Å
675	V	70.5	Confident	69.6	Low	39 Å²	39	79.8 Å²	79.8	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-40.2	176.2	177.8	0	0	0	0	111.2	F671 S677 S678	F671-V675 HydrophobicContact CD1-CG2 4.09Å; F671-V675 HydrophobicContact CE1-CG2 3.66Å; F671-V675 HydrophobicContact CZ-CG2 3.93Å; F671-V675 PolarHBondContact O-N 3.2Å; V675-S677 PolarHBondContact O-N 3.16Å; V675-S678 WeakPolarHBondContact O-CB 3.28Å; V675-S678 PolarHBondContact O-N 3.48Å
676	G	74.8	Confident	71.6	Confident	30 Å²	30	75.5 Å²	75.5	31%	0.309	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-27.4	175.6	0	0	0	0	0	113.6	W672 S673 I674 S678 K679	W672-G676 PolarHBondContact O-N 3.38Å; S673-G676 PolarHBondContact O-N 2.94Å; I674-G676 VanDerWaalsContact C-N 3.31Å; I674-G676 PolarHBondContact O-N 3.42Å; G676-S678 PolarHBondContact O-N 3.04Å; G676-K679 WeakPolarHBondContact O-CD 3.21Å; G676-K679 WeakPolarHBondContact O-CG 3.28Å; G676-K679 PolarHBondContact O-N 3.38Å
677	S	73	Confident	73.2	Confident	38 Å²	38	77.7 Å²	77.7	27%	0.266	40%	0.396	S	S	.	.	H	α-helix	trans	-73	-16.6	175.1	-59.8	0	0	0	0	113	S673 I674 V675 M743 F965	S673-S677 PolarHBondContact O-N 2.99Å; S673-S677 VanDerWaalsContact O-N 3.17Å; S673-S677 PolarHBondContact O-OG 3Å; I674-S677 WeakPolarHBondContact O-CB 3.41Å; I674-S677 PolarHBondContact O-N 3.33Å; I674-S677 VanDerWaalsContact O-N 3.11Å; V675-S677 PolarHBondContact O-N 3.16Å; S677-M743 VanDerWaalsContact O-CE 3.28Å; S677-M743 WeakPolarHBondContact O-CE 3.18Å; S677-F965 VanDerWaalsContact OG-CE1 3.31Å; S677-F965 WeakPolarHBondContact OG-CE1 3.28Å; S677-F965 VanDerWaalsContact OG-CZ 3.25Å; S677-F965 WeakPolarHBondContact OG-CZ 3.37Å
678	S	72.7	Confident	74.4	Confident	7 Å²	7	70.5 Å²	70.5	5%	0.049	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	11.7	178	-60.2	0	0	0	0	114	V675 G676 K680 N681	V675-S678 WeakPolarHBondContact O-CB 3.28Å; V675-S678 PolarHBondContact O-N 3.48Å; G676-S678 PolarHBondContact O-N 3.04Å; S678-K680 PolarHBondContact O-N 3.24Å; S678-N681 PolarHBondContact O-N 3.35Å
679	K	73.1	Confident	75.3	Confident	160 Å²	160	68 Å²	68	70%	0.696	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-49.4	-34.8	-176.7	-86.7	174.5	-177	-172.7	0	114.5	G676 N681 W682	G676-K679 WeakPolarHBondContact O-CD 3.21Å; G676-K679 WeakPolarHBondContact O-CG 3.28Å; G676-K679 PolarHBondContact O-N 3.38Å; K679-N681 PolarHBondContact O-N 2.91Å; K679-W682 WeakPolarHBondContact O-CB 3.31Å; K679-W682 PolarHBondContact O-N 2.88Å
680	K	77.7	Confident	76	Confident	197 Å²	197	70.1 Å²	70.1	86%	0.857	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-60.7	-27.5	-180	-166.7	173.3	-178.4	176.8	0	113.1	S678	S678-K680 PolarHBondContact O-N 3.24Å
681	N	80.4	Confident	76.5	Confident	30 Å²	30	68.2 Å²	68.2	16%	0.16	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-112	30.7	-178.7	-73.1	-24.3	0	0	0	112.5	S678 K679 H683 C684 L685 A736 D739	S678-N681 PolarHBondContact O-N 3.35Å; K679-N681 PolarHBondContact O-N 2.91Å; N681-H683 PolarHBondContact O-N 2.93Å; N681-C684 HydrophobicContact CB-CB 4.47Å; N681-C684 PolarHBondContact O-N 3.26Å; N681-L685 PolarHBondContact O-N 2.93Å; N681-L685 VanDerWaalsContact O-N 3.13Å; N681-A736 HydrophobicContact CB-CB 4.3Å; N681-D739 WeakPolarHBondContact ND2-CB 3.42Å; N681-D739 PolarHBondContact ND2-OD2 3.48Å
682	W	81.6	Confident	76.8	Confident	141 Å²	141	65.6 Å²	65.6	53%	0.534	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-36.6	-177.7	75.8	-92.7	0	0	0	113	K679 C684 L685 L686	K679-W682 WeakPolarHBondContact O-CB 3.31Å; K679-W682 PolarHBondContact O-N 2.88Å; W682-C684 PolarHBondContact O-N 3.12Å; W682-L685 PolarHBondContact O-N 3.35Å; W682-L686 HydrophobicContact CE3-CB 4.47Å; W682-L686 HydrophobicContact CE3-CD2 4.47Å; W682-L686 HydrophobicContact CZ3-CD2 3.91Å; W682-L686 WeakPolarHBondContact O-CB 3.46Å; W682-L686 PolarHBondContact O-N 3.31Å
683	H	84.9	Confident	76.9	Confident	95 Å²	95	58.9 Å²	58.9	44%	0.44	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-45.6	175.9	-56.9	-74.5	0	0	0	111.7	N681 L685 L686 F687	N681-H683 PolarHBondContact O-N 2.93Å; H683-L685 VanDerWaalsContact C-N 3.34Å; H683-L685 PolarHBondContact O-N 3.01Å; H683-L686 PolarHBondContact O-N 2.98Å; H683-F687 HydrophobicContact CB-CD2 4.4Å; H683-F687 HydrophobicContact CB-CE2 4.38Å; H683-F687 WeakPolarHBondContact O-CD2 3.28Å; H683-F687 PolarHBondContact O-N 3.4Å
684	C	82.8	Confident	77	Confident	21 Å²	21	60 Å²	60	14%	0.142	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-39.4	178.5	-65.6	0	0	0	0	111.4	N681 W682 G688 C732 A736	N681-C684 HydrophobicContact CB-CB 4.47Å; N681-C684 PolarHBondContact O-N 3.26Å; W682-C684 PolarHBondContact O-N 3.12Å; C684-G688 PolarHBondContact O-N 2.94Å; C684-C732 HydrophobicContact CB-CB 4.32Å; C684-C732 WeakPolarHBondContact O-CB 3.39Å; C684-A736 HydrophobicContact CB-CB 4.29Å
685	L	79.1	Confident	77	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-44.1	174.7	-66.9	176	0	0	0	111.5	N681 W682 H683 G688 S689 F733 A736	N681-L685 PolarHBondContact O-N 2.93Å; N681-L685 VanDerWaalsContact O-N 3.13Å; W682-L685 PolarHBondContact O-N 3.35Å; H683-L685 VanDerWaalsContact C-N 3.34Å; H683-L685 PolarHBondContact O-N 3.01Å; L685-G688 PolarHBondContact O-N 3.26Å; L685-S689 WeakPolarHBondContact O-CB 2.92Å; L685-S689 PolarHBondContact O-N 3.42Å; L685-S689 PolarHBondContact O-OG 2.69Å; L685-S689 VanDerWaalsContact O-OG 3.07Å; L685-F733 HydrophobicContact CD2-CD1 3.87Å; L685-F733 HydrophobicContact CD2-CE1 3.87Å; L685-A736 HydrophobicContact CD2-CB 3.96Å; L685-A736 HydrophobicContact CG-CB 4.38Å
686	L	81.4	Confident	77	Confident	86 Å²	86	59.4 Å²	59.4	45%	0.45	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-52.9	178.6	-176.3	73.3	0	0	0	111.7	W682 H683 G688 S689 I690	W682-L686 HydrophobicContact CE3-CB 4.47Å; W682-L686 HydrophobicContact CE3-CD2 4.47Å; W682-L686 HydrophobicContact CZ3-CD2 3.91Å; W682-L686 WeakPolarHBondContact O-CB 3.46Å; W682-L686 PolarHBondContact O-N 3.31Å; H683-L686 PolarHBondContact O-N 2.98Å; L686-G688 VanDerWaalsContact C-N 3.28Å; L686-G688 PolarHBondContact O-N 3.2Å; L686-S689 PolarHBondContact O-N 3.26Å; L686-S689 VanDerWaalsContact O-N 3.17Å; L686-I690 HydrophobicContact CG-CD1 4.09Å; L686-I690 WeakPolarHBondContact O-CG1 3.45Å; L686-I690 PolarHBondContact O-N 3.25Å
687	F	82.2	Confident	76.9	Confident	117 Å²	117	59.4 Å²	59.4	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-38.1	178.5	-74.5	-60.8	0	0	0	111.7	H683 I690 G691	H683-F687 HydrophobicContact CB-CD2 4.4Å; H683-F687 HydrophobicContact CB-CE2 4.38Å; H683-F687 WeakPolarHBondContact O-CD2 3.28Å; H683-F687 PolarHBondContact O-N 3.4Å; F687-I690 PolarHBondContact O-N 3.34Å; F687-G691 PolarHBondContact O-N 3.44Å
688	G	78.2	Confident	77	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-47.6	172.6	0	0	0	0	0	112.3	C684 L685 L686 I690 G691 C692 C729 F733	C684-G688 PolarHBondContact O-N 2.94Å; L685-G688 PolarHBondContact O-N 3.26Å; L686-G688 VanDerWaalsContact C-N 3.28Å; L686-G688 PolarHBondContact O-N 3.2Å; G688-I690 PolarHBondContact O-N 3.34Å; G688-G691 PolarHBondContact O-N 2.83Å; G688-C692 WeakPolarHBondContact O-CB 3.18Å; G688-C692 PolarHBondContact O-N 2.91Å; G688-C729 PolarHBondContact O-SG 3.1Å; G688-F733 VanDerWaalsContact O-CE2 3.3Å; G688-F733 WeakPolarHBondContact O-CE2 3.47Å
689	S	77.3	Confident	77.1	Confident	42 Å²	42	60.1 Å²	60.1	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-41.3	178.3	-67.7	0	0	0	0	112.6	L685 L686 C692 L693 F733	L685-S689 WeakPolarHBondContact O-CB 2.92Å; L685-S689 PolarHBondContact O-N 3.42Å; L685-S689 PolarHBondContact O-OG 2.69Å; L685-S689 VanDerWaalsContact O-OG 3.07Å; L686-S689 PolarHBondContact O-N 3.26Å; L686-S689 VanDerWaalsContact O-N 3.17Å; S689-C692 PolarHBondContact O-N 3.22Å; S689-L693 WeakPolarHBondContact O-CG 3.25Å; S689-L693 PolarHBondContact O-N 3.43Å; S689-F733 VanDerWaalsContact N-CZ 3.34Å
690	I	78.3	Confident	77	Confident	77 Å²	77	52.7 Å²	52.7	40%	0.395	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-45.4	174.5	-65.5	166.4	0	0	0	110.2	L686 F687 G688 C692 L693 L694	L686-I690 HydrophobicContact CG-CD1 4.09Å; L686-I690 WeakPolarHBondContact O-CG1 3.45Å; L686-I690 PolarHBondContact O-N 3.25Å; F687-I690 PolarHBondContact O-N 3.34Å; G688-I690 PolarHBondContact O-N 3.34Å; I690-C692 VanDerWaalsContact C-N 3.3Å; I690-C692 PolarHBondContact O-N 3.18Å; I690-L693 PolarHBondContact O-N 3.14Å; I690-L694 HydrophobicContact CG2-CD1 4.06Å; I690-L694 WeakPolarHBondContact O-CG 3.41Å; I690-L694 PolarHBondContact O-N 3.09Å
691	G	75.8	Confident	76.8	Confident	4 Å²	4	44.2 Å²	44.2	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-39.6	175.4	0	0	0	0	0	112.7	F687 G688 S695	F687-G691 PolarHBondContact O-N 3.44Å; G688-G691 PolarHBondContact O-N 2.83Å; G691-S695 VanDerWaalsContact O-CB 3.28Å; G691-S695 WeakPolarHBondContact O-CB 3.43Å; G691-S695 PolarHBondContact O-N 2.86Å
692	C	74.5	Confident	76.5	Confident	12 Å²	12	43.2 Å²	43.2	8%	0.081	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-43.7	175	-172.3	0	0	0	0	112.4	G688 S689 I690 L694 S695 G696 F733 P787	G688-C692 WeakPolarHBondContact O-CB 3.18Å; G688-C692 PolarHBondContact O-N 2.91Å; S689-C692 PolarHBondContact O-N 3.22Å; I690-C692 VanDerWaalsContact C-N 3.3Å; I690-C692 PolarHBondContact O-N 3.18Å; C692-L694 PolarHBondContact O-N 3.12Å; C692-S695 PolarHBondContact O-N 3.36Å; C692-G696 PolarHBondContact O-N 3.46Å; C692-F733 HydrophobicContact CB-CE2 4.48Å; C692-P787 PolarHBondContact SG-O 3.48Å
693	L	72.7	Confident	76.1	Confident	60 Å²	60	36.5 Å²	36.5	31%	0.314	20%	0.196	S	C	.	.	H	α-helix	trans	-57.8	-49	175.5	-78.2	166.4	0	0	0	111.3	S689 I690 G696 T697 V789	S689-L693 WeakPolarHBondContact O-CG 3.25Å; S689-L693 PolarHBondContact O-N 3.43Å; I690-L693 PolarHBondContact O-N 3.14Å; L693-G696 PolarHBondContact O-N 2.69Å; L693-T697 PolarHBondContact O-N 3.18Å; L693-V789 HydrophobicContact CD2-CB 3.94Å; L693-V789 HydrophobicContact CD2-CG1 3.47Å; L693-V789 VanDerWaalsContact CD2-CG1 3.47Å; L693-V789 HydrophobicContact CD2-CG2 4.29Å
694	L	73.6	Confident	75.5	Confident	81 Å²	81	34.1 Å²	34.1	42%	0.424	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-47.3	177.5	-70.6	170.4	0	0	0	111.3	I690 C692 G696 T697	I690-L694 HydrophobicContact CG2-CD1 4.06Å; I690-L694 WeakPolarHBondContact O-CG 3.41Å; I690-L694 PolarHBondContact O-N 3.09Å; C692-L694 PolarHBondContact O-N 3.12Å; L694-G696 PolarHBondContact O-N 3.12Å; L694-T697 PolarHBondContact O-N 2.88Å; L694-T697 VanDerWaalsContact O-N 3.13Å; L694-T697 PolarHBondContact O-OG1 3.19Å
695	S	72	Confident	75	Confident	26 Å²	26	36.9 Å²	36.9	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-29.8	177.5	-171.3	0	0	0	0	112.7	G691 C692 T697 V698	G691-S695 VanDerWaalsContact O-CB 3.28Å; G691-S695 WeakPolarHBondContact O-CB 3.43Å; G691-S695 PolarHBondContact O-N 2.86Å; C692-S695 PolarHBondContact O-N 3.36Å; S695-T697 VanDerWaalsContact C-N 3.3Å; S695-T697 PolarHBondContact O-N 2.99Å; S695-V698 WeakPolarHBondContact O-CB 3.39Å; S695-V698 WeakPolarHBondContact O-CG2 3.42Å; S695-V698 PolarHBondContact O-N 3.34Å
696	G	71.5	Confident	74.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-71.5	-22.4	177.5	0	0	0	0	0	114.1	C692 L693 L694 V698 P700 F790	C692-G696 PolarHBondContact O-N 3.46Å; L693-G696 PolarHBondContact O-N 2.69Å; L694-G696 PolarHBondContact O-N 3.12Å; G696-V698 VanDerWaalsContact C-N 3.3Å; G696-P700 WeakPolarHBondContact O-CD 3.36Å; G696-F790 VanDerWaalsContact CA-CD1 3.5Å
697	T	73	Confident	73.9	Confident	29 Å²	29	31.9 Å²	31.9	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-78	-15.2	175.8	63.2	0	0	0	0	113.6	L693 L694 S695 M699 P700 A701 Y722 H793	L693-T697 PolarHBondContact O-N 3.18Å; L694-T697 PolarHBondContact O-N 2.88Å; L694-T697 VanDerWaalsContact O-N 3.13Å; L694-T697 PolarHBondContact O-OG1 3.19Å; S695-T697 VanDerWaalsContact C-N 3.3Å; S695-T697 PolarHBondContact O-N 2.99Å; T697-M699 PolarHBondContact O-N 2.78Å; T697-P700 WeakPolarHBondContact O-CD 3.49Å; T697-A701 WeakPolarHBondContact O-CB 3.32Å; T697-A701 PolarHBondContact O-N 3.22Å; T697-Y722 WeakPolarHBondContact OG1-CE1 3.32Å; T697-H793 HydrophobicContact CG2-CB 4.23Å
698	V	74.5	Confident	73.2	Confident	13 Å²	13	30.6 Å²	30.6	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-47.2	-172.6	-178.9	0	0	0	0	112.4	F303 S695 G696 A701 F702 Y722	F303-V698 HydrophobicContact CE2-CG1 3.54Å; F303-V698 HydrophobicContact CZ-CG1 3.49Å; F303-V698 VanDerWaalsContact CZ-CG1 3.49Å; S695-V698 WeakPolarHBondContact O-CB 3.39Å; S695-V698 WeakPolarHBondContact O-CG2 3.42Å; S695-V698 PolarHBondContact O-N 3.34Å; G696-V698 VanDerWaalsContact C-N 3.3Å; V698-A701 PolarHBondContact O-N 3.43Å; V698-F702 VanDerWaalsContact O-CB 3.28Å; V698-F702 WeakPolarHBondContact O-CB 3.46Å; V698-F702 PolarHBondContact O-N 3.45Å; V698-Y722 HydrophobicContact CG2-CD1 3.63Å; V698-Y722 HydrophobicContact CG2-CD2 4.23Å; V698-Y722 HydrophobicContact CG2-CG 3.5Å; V698-Y722 VanDerWaalsContact CG2-CG 3.5Å
699	M	73.5	Confident	72.6	Confident	48 Å²	48	32.2 Å²	32.2	24%	0.236	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-47	-176.6	-72	-62.1	157.5	0	0	112	F299 F303 T697 F702 S703 F939	F299-M699 HydrophobicContact CE1-CE 3.87Å; F303-M699 HydrophobicContact CZ-CE 3.99Å; T697-M699 PolarHBondContact O-N 2.78Å; M699-F702 PolarHBondContact O-N 3.23Å; M699-S703 PolarHBondContact O-N 3.15Å; M699-S703 VanDerWaalsContact O-N 3.16Å; M699-F939 HydrophobicContact CB-CB 4.11Å
700	P	72.2	Confident	71.5	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.7	171.2	-25.9	35.7	0	0	0	113.6	G696 T697 F702 S703 L704 A794 I797	G696-P700 WeakPolarHBondContact O-CD 3.36Å; T697-P700 WeakPolarHBondContact O-CD 3.49Å; P700-F702 VanDerWaalsContact C-N 3.29Å; P700-F702 PolarHBondContact O-N 3.3Å; P700-S703 WeakPolarHBondContact O-CB 3.4Å; P700-S703 PolarHBondContact O-N 2.85Å; P700-S703 VanDerWaalsContact O-N 3.15Å; P700-S703 PolarHBondContact O-OG 2.92Å; P700-L704 PolarHBondContact O-N 2.98Å; P700-A794 HydrophobicContact CB-CB 4.38Å; P700-A794 HydrophobicContact CG-CB 3.71Å; P700-I797 HydrophobicContact CB-CD1 3.44Å; P700-I797 VanDerWaalsContact CB-CD1 3.44Å
701	A	74.2	Confident	70.3	Confident	18 Å²	18	35.6 Å²	35.6	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-40	176.6	0	0	0	0	0	111.5	T697 V698 S703 L704 F705	T697-A701 WeakPolarHBondContact O-CB 3.32Å; T697-A701 PolarHBondContact O-N 3.22Å; V698-A701 PolarHBondContact O-N 3.43Å; A701-S703 VanDerWaalsContact C-N 3.29Å; A701-S703 PolarHBondContact O-N 3.23Å; A701-L704 WeakPolarHBondContact O-CB 3.43Å; A701-L704 PolarHBondContact O-N 3.2Å; A701-L704 VanDerWaalsContact O-N 3.12Å; A701-F705 HydrophobicContact CB-CE2 4.39Å; A701-F705 WeakPolarHBondContact O-CD2 3.5Å; A701-F705 PolarHBondContact O-N 3.18Å; A701-F705 VanDerWaalsContact O-N 3.15Å
702	F	73.9	Confident	68.9	Low	10 Å²	10	40.5 Å²	40.5	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-38.1	175.6	-177.2	-111.3	0	0	0	111.9	F303 Y306 V698 M699 P700 L704 F705 F706 F939	F303-F702 AromaticContact CD1-CD2 3.83Å; F303-F702 HydrophobicContact CD1-CD2 3.83Å; F303-F702 AromaticContact CD1-CE2 3.94Å; F303-F702 HydrophobicContact CD1-CE2 3.94Å; F303-F702 HydrophobicContact CD1-CG 4.47Å; F303-F702 HydrophobicContact CE1-CB 4.12Å; F303-F702 HydrophobicContact CE1-CD1 4.26Å; F303-F702 AromaticContact CE1-CD2 3.51Å; F303-F702 HydrophobicContact CE1-CD2 3.51Å; F303-F702 AromaticContact CE1-CE2 3.93Å; F303-F702 HydrophobicContact CE1-CE2 3.93Å; F303-F702 AromaticContact CE1-CG 3.7Å; F303-F702 HydrophobicContact CE1-CG 3.7Å; F303-F702 HydrophobicContact CE1-CZ 4.47Å; Y306-F702 HydrophobicContact CD2-CE1 4.15Å; Y306-F702 AromaticContact CD2-CE2 3.91Å; Y306-F702 HydrophobicContact CD2-CE2 3.91Å; Y306-F702 AromaticContact CD2-CZ 3.44Å; Y306-F702 HydrophobicContact CD2-CZ 3.44Å; Y306-F702 VanDerWaalsContact CD2-CZ 3.44Å; Y306-F702 HydrophobicContact CE2-CE1 4.32Å; Y306-F702 HydrophobicContact CE2-CZ 4.06Å; Y306-F702 HydrophobicContact CG-CZ 4.26Å; V698-F702 VanDerWaalsContact O-CB 3.28Å; V698-F702 WeakPolarHBondContact O-CB 3.46Å; V698-F702 PolarHBondContact O-N 3.45Å; M699-F702 PolarHBondContact O-N 3.23Å; P700-F702 VanDerWaalsContact C-N 3.29Å; P700-F702 PolarHBondContact O-N 3.3Å; F702-L704 VanDerWaalsContact C-N 3.28Å; F702-L704 PolarHBondContact O-N 2.93Å; F702-F705 PolarHBondContact O-N 2.99Å; F702-F706 AromaticContact CE1-CD2 3.79Å; F702-F706 HydrophobicContact CE1-CD2 3.79Å; F702-F706 HydrophobicContact CE1-CE2 4.43Å; F702-F706 AromaticContact CZ-CD2 3.75Å; F702-F706 HydrophobicContact CZ-CD2 3.75Å; F702-F706 HydrophobicContact CZ-CE2 4.39Å; F702-F706 VanDerWaalsContact O-CB 3.26Å; F702-F706 WeakPolarHBondContact O-CB 3.4Å; F702-F706 PolarHBondContact O-N 3.16Å; F702-F939 HydrophobicContact CD1-CD2 4.23Å; F702-F939 AromaticContact CD1-CE2 3.6Å; F702-F939 HydrophobicContact CD1-CE2 3.6Å; F702-F939 AromaticContact CD1-CZ 3.92Å; F702-F939 HydrophobicContact CD1-CZ 3.92Å; F702-F939 AromaticContact CE1-CE2 3.91Å; F702-F939 HydrophobicContact CE1-CE2 3.91Å; F702-F939 AromaticContact CE1-CZ 3.81Å; F702-F939 HydrophobicContact CE1-CZ 3.81Å
703	S	73.4	Confident	67.4	Low	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-36.1	175.3	75.9	0	0	0	0	113.5	M699 P700 A701 F706 S707 A936	M699-S703 PolarHBondContact O-N 3.15Å; M699-S703 VanDerWaalsContact O-N 3.16Å; P700-S703 WeakPolarHBondContact O-CB 3.4Å; P700-S703 PolarHBondContact O-N 2.85Å; P700-S703 VanDerWaalsContact O-N 3.15Å; P700-S703 PolarHBondContact O-OG 2.92Å; A701-S703 VanDerWaalsContact C-N 3.29Å; A701-S703 PolarHBondContact O-N 3.23Å; S703-F706 PolarHBondContact O-N 3.43Å; S703-S707 PolarHBondContact O-N 3.15Å; S703-S707 VanDerWaalsContact O-N 3.11Å; S703-A936 VanDerWaalsContact CB-CA 3.46Å; S703-A936 VanDerWaalsContact CB-N 3.32Å; S703-A936 WeakPolarHBondContact OG-CA 3.47Å; S703-A936 VanDerWaalsContact OG-CB 3.31Å; S703-A936 WeakPolarHBondContact OG-CB 3.46Å
704	L	71.9	Confident	66.2	Low	44 Å²	44	43.6 Å²	43.6	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-46.7	175.7	-63.6	176.2	0	0	0	110.7	P700 A701 F702 F706 S707 Q708 I797 F801	P700-L704 PolarHBondContact O-N 2.98Å; A701-L704 WeakPolarHBondContact O-CB 3.43Å; A701-L704 PolarHBondContact O-N 3.2Å; A701-L704 VanDerWaalsContact O-N 3.12Å; F702-L704 VanDerWaalsContact C-N 3.28Å; F702-L704 PolarHBondContact O-N 2.93Å; L704-F706 PolarHBondContact O-N 2.98Å; L704-S707 PolarHBondContact O-N 2.91Å; L704-S707 PolarHBondContact O-OG 2.9Å; L704-Q708 PolarHBondContact O-N 3.44Å; L704-I797 HydrophobicContact CD1-CD1 4.32Å; L704-I797 HydrophobicContact CD1-CG2 4.18Å; L704-I797 HydrophobicContact CD2-CG2 3.79Å; L704-I797 HydrophobicContact CG-CG2 4.11Å; L704-F801 HydrophobicContact CD2-CD2 4.05Å; L704-F801 HydrophobicContact CD2-CE2 3.34Å; L704-F801 HydrophobicContact CD2-CZ 3.75Å
705	F	71.6	Confident	65	Low	80 Å²	80	49.6 Å²	49.6	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-44.3	175.4	-69.4	-64.6	0	0	0	111.9	A701 F702 S707 Q708 V709 F714 V718	A701-F705 HydrophobicContact CB-CE2 4.39Å; A701-F705 WeakPolarHBondContact O-CD2 3.5Å; A701-F705 PolarHBondContact O-N 3.18Å; A701-F705 VanDerWaalsContact O-N 3.15Å; F702-F705 PolarHBondContact O-N 2.99Å; F705-S707 PolarHBondContact O-N 3.35Å; F705-Q708 PolarHBondContact O-N 3.42Å; F705-V709 PolarHBondContact O-N 2.84Å; F705-F714 HydrophobicContact CB-CE2 4.07Å; F705-V718 HydrophobicContact CE2-CG1 4.17Å; F705-V718 HydrophobicContact CZ-CG1 4.24Å; F705-V718 HydrophobicContact CZ-CG2 4.44Å
706	F	70.2	Confident	64.1	Low	2 Å²	2	52 Å²	52	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-56.7	-40.4	179.3	-162.3	-88	0	0	0	111.7	F310 F329 F332 F333 F702 S703 L704 Q708 F935	F310-F706 HydrophobicContact CE1-CE2 4.25Å; F310-F706 HydrophobicContact CE1-CZ 4.39Å; F310-F706 AromaticContact CE2-CD2 3.93Å; F310-F706 HydrophobicContact CE2-CD2 3.93Å; F310-F706 AromaticContact CE2-CE2 3.61Å; F310-F706 HydrophobicContact CE2-CE2 3.61Å; F310-F706 HydrophobicContact CE2-CZ 4.5Å; F310-F706 AromaticContact CZ-CD2 3.92Å; F310-F706 HydrophobicContact CZ-CD2 3.92Å; F310-F706 AromaticContact CZ-CE2 3.21Å; F310-F706 HydrophobicContact CZ-CE2 3.21Å; F310-F706 AromaticContact CZ-CZ 3.7Å; F310-F706 HydrophobicContact CZ-CZ 3.7Å; F329-F706 AromaticContact CD1-CE1 3.65Å; F329-F706 HydrophobicContact CD1-CE1 3.65Å; F329-F706 AromaticContact CD1-CZ 3.63Å; F329-F706 HydrophobicContact CD1-CZ 3.63Å; F329-F706 HydrophobicContact CE1-CD1 4.22Å; F329-F706 AromaticContact CE1-CE1 3.37Å; F329-F706 HydrophobicContact CE1-CE1 3.37Å; F329-F706 AromaticContact CE1-CZ 3.61Å; F329-F706 HydrophobicContact CE1-CZ 3.61Å; F332-F706 HydrophobicContact CD1-CE2 4.1Å; F332-F706 HydrophobicContact CD1-CZ 4.19Å; F332-F706 AromaticContact CE1-CE2 3.65Å; F332-F706 HydrophobicContact CE1-CE2 3.65Å; F332-F706 HydrophobicContact CE1-CZ 4.13Å; F332-F706 HydrophobicContact CZ-CE2 4.05Å; F333-F706 HydrophobicContact CE1-CZ 4.11Å; F333-F706 HydrophobicContact CE2-CE1 4.31Å; F333-F706 AromaticContact CE2-CZ 3.96Å; F333-F706 HydrophobicContact CE2-CZ 3.96Å; F333-F706 AromaticContact CZ-CE1 3.78Å; F333-F706 HydrophobicContact CZ-CE1 3.78Å; F333-F706 HydrophobicContact CZ-CE2 4.24Å; F333-F706 AromaticContact CZ-CZ 3.34Å; F333-F706 HydrophobicContact CZ-CZ 3.34Å; F702-F706 AromaticContact CE1-CD2 3.79Å; F702-F706 HydrophobicContact CE1-CD2 3.79Å; F702-F706 HydrophobicContact CE1-CE2 4.43Å; F702-F706 AromaticContact CZ-CD2 3.75Å; F702-F706 HydrophobicContact CZ-CD2 3.75Å; F702-F706 HydrophobicContact CZ-CE2 4.39Å; F702-F706 VanDerWaalsContact O-CB 3.26Å; F702-F706 WeakPolarHBondContact O-CB 3.4Å; F702-F706 PolarHBondContact O-N 3.16Å; S703-F706 PolarHBondContact O-N 3.43Å; L704-F706 PolarHBondContact O-N 2.98Å; F706-Q708 VanDerWaalsContact C-N 3.28Å; F706-Q708 PolarHBondContact O-N 3.1Å; F706-F935 AromaticContact CD1-CD2 3.38Å; F706-F935 HydrophobicContact CD1-CD2 3.38Å; F706-F935 AromaticContact CD1-CE2 3.36Å; F706-F935 HydrophobicContact CD1-CE2 3.36Å; F706-F935 HydrophobicContact CD1-CG 4.06Å; F706-F935 HydrophobicContact CD1-CZ 4.07Å; F706-F935 AromaticContact CE1-CD2 3.7Å; F706-F935 HydrophobicContact CE1-CD2 3.7Å; F706-F935 HydrophobicContact CE1-CE1 4.14Å; F706-F935 AromaticContact CE1-CE2 3.17Å; F706-F935 HydrophobicContact CE1-CE2 3.17Å; F706-F935 HydrophobicContact CE1-CG 4.34Å; F706-F935 AromaticContact CE1-CZ 3.46Å; F706-F935 HydrophobicContact CE1-CZ 3.46Å; F706-F935 VanDerWaalsContact CE1-CZ 3.46Å; F706-F935 HydrophobicContact CG-CD2 4.4Å; F706-F935 HydrophobicContact CZ-CE2 4.34Å; F706-F935 HydrophobicContact CZ-CZ 4.28Å
707	S	67.9	Low	63.2	Low	1 Å²	1	56.9 Å²	56.9	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-71.2	-19.1	176.1	78.8	0	0	0	0	115.2	S703 L704 F705 F710 R932	S703-S707 PolarHBondContact O-N 3.15Å; S703-S707 VanDerWaalsContact O-N 3.11Å; L704-S707 PolarHBondContact O-N 2.91Å; L704-S707 PolarHBondContact O-OG 2.9Å; F705-S707 PolarHBondContact O-N 3.35Å; S707-F710 VanDerWaalsContact O-CD2 3.24Å; S707-F710 WeakPolarHBondContact O-CD2 3.19Å; S707-R932 WeakPolarHBondContact OG-CG 3.34Å; S707-R932 PolarHBondContact OG-NE 3.42Å
708	Q	67.7	Low	62.2	Low	91 Å²	91	58.1 Å²	58.1	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-97.6	-5.4	-178.3	-73.2	-173	-9.4	0	0	112.7	L704 F705 F706 F710 Y711 V712	L704-Q708 PolarHBondContact O-N 3.44Å; F705-Q708 PolarHBondContact O-N 3.42Å; F706-Q708 VanDerWaalsContact C-N 3.28Å; F706-Q708 PolarHBondContact O-N 3.1Å; Q708-F710 PolarHBondContact O-N 3.38Å; Q708-Y711 PolarHBondContact O-N 3Å; Q708-V712 PolarHBondContact O-N 3.09Å
709	V	64.5	Low	61.2	Low	34 Å²	34	58.2 Å²	58.2	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-23.8	173.4	169.5	0	0	0	0	111.8	F310 F705 Y711	F310-V709 HydrophobicContact CB-CG1 4.02Å; F310-V709 HydrophobicContact CB-CG2 4.46Å; F310-V709 HydrophobicContact CD1-CG1 3.7Å; F310-V709 HydrophobicContact CD1-CG2 4.47Å; F310-V709 HydrophobicContact CD2-CG2 4.35Å; F310-V709 HydrophobicContact CE1-CG1 4.47Å; F310-V709 HydrophobicContact CG-CG1 3.96Å; F310-V709 HydrophobicContact CG-CG2 4.17Å; F705-V709 PolarHBondContact O-N 2.84Å; V709-Y711 PolarHBondContact O-N 3.24Å
710	F	54.4	Low	60.4	Low	56 Å²	56	64.7 Å²	64.7	25%	0.246	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.3	174.1	-56.8	-60.7	0	0	0	115.1	T75 I79 F329 S707 Q708 L928	T75-F710 HydrophobicContact CG2-CE1 4.14Å; T75-F710 HydrophobicContact CG2-CZ 3.75Å; I79-F710 HydrophobicContact CD1-CD1 3.88Å; I79-F710 HydrophobicContact CD1-CE1 3.42Å; I79-F710 VanDerWaalsContact CD1-CE1 3.42Å; I79-F710 HydrophobicContact CD1-CZ 4.24Å; I79-F710 HydrophobicContact CG1-CD1 4Å; I79-F710 HydrophobicContact CG1-CE1 3.71Å; I79-F710 HydrophobicContact CG1-CZ 4.23Å; F329-F710 HydrophobicContact CE1-CZ 4.33Å; F329-F710 AromaticContact CE2-CE1 3.52Å; F329-F710 HydrophobicContact CE2-CE1 3.52Å; F329-F710 AromaticContact CE2-CZ 3.88Å; F329-F710 HydrophobicContact CE2-CZ 3.88Å; F329-F710 AromaticContact CZ-CE1 3.49Å; F329-F710 HydrophobicContact CZ-CE1 3.49Å; F329-F710 VanDerWaalsContact CZ-CE1 3.49Å; F329-F710 AromaticContact CZ-CZ 3.51Å; F329-F710 HydrophobicContact CZ-CZ 3.51Å; S707-F710 VanDerWaalsContact O-CD2 3.24Å; S707-F710 WeakPolarHBondContact O-CD2 3.19Å; Q708-F710 PolarHBondContact O-N 3.38Å; F710-L928 HydrophobicContact CD2-CD1 4.2Å; F710-L928 HydrophobicContact CD2-CD2 3.45Å; F710-L928 VanDerWaalsContact CD2-CD2 3.45Å; F710-L928 HydrophobicContact CD2-CG 4.48Å; F710-L928 HydrophobicContact CE2-CD2 3.53Å; F710-L928 HydrophobicContact CG-CD2 4.29Å; F710-L928 HydrophobicContact CZ-CD2 4.41Å
711	Y	52.5	Low	59.7	Low	133 Å²	133	74.5 Å²	74.5	52%	0.522	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-28	-170.9	-64.5	-68.8	0	0	0	115	Q82 Q708 V709 L928	Q82-Y711 WeakPolarHBondContact CG-OH 3.48Å; Q708-Y711 PolarHBondContact O-N 3Å; V709-Y711 PolarHBondContact O-N 3.24Å; Y711-L928 HydrophobicContact CD2-CD1 4.42Å; Y711-L928 HydrophobicContact CE2-CD1 3.29Å; Y711-L928 WeakPolarHBondContact OH-CD1 3.41Å
712	V	47.4	Very low	58.8	Low	108 Å²	108	76.8 Å²	76.8	66%	0.655	36%	0.362	S	S	*	.	S	Bend	trans	-147.3	137.4	-170	179.7	0	0	0	0	112.5	Q708	Q708-V712 PolarHBondContact O-N 3.09Å
713	S	43.6	Very low	57.9	Low	84 Å²	84	76.7 Å²	76.7	59%	0.587	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-57.5	129.5	171.8	-74	0	0	0	0	113.1
714	F	47.2	Very low	57.3	Low	52 Å²	52	79.6 Å²	79.6	23%	0.228	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.2	131	-177.6	-163.7	-88.2	0	0	0	112.8	A307 F705	A307-F714 HydrophobicContact CB-CD1 3.24Å; A307-F714 HydrophobicContact CB-CE1 3.5Å; A307-F714 HydrophobicContact CB-CG 4.02Å; A307-F714 HydrophobicContact CB-CZ 4.44Å; F705-F714 HydrophobicContact CB-CE2 4.07Å
715	R	49	Very low	56.7	Low	207 Å²	207	78 Å²	78	78%	0.781	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-102.4	119.3	171.3	-75.8	-165.2	178.4	-168.4	1	111.7	T717	R715-T717 VanDerWaalsContact C-N 3.29Å; R715-T717 PolarHBondContact O-N 3.37Å
716	P	51.5	Low	56	Low	78 Å²	78	75.1 Å²	75.1	51%	0.506	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-1.6	-172.6	28	-34.4	0	0	0	116	V718 S719	P716-V718 VanDerWaalsContact C-N 3.27Å; P716-V718 PolarHBondContact O-N 2.66Å; P716-S719 PolarHBondContact O-N 2.76Å; P716-S719 PolarHBondContact O-OG 2.98Å
717	T	53	Low	55.8	Low	103 Å²	103	76 Å²	76	63%	0.632	38%	0.375	S	S	*	.	H	α-helix	trans	-67.2	-24.2	-176.2	25.5	0	0	0	0	114.4	R715	R715-T717 VanDerWaalsContact C-N 3.29Å; R715-T717 PolarHBondContact O-N 3.37Å
718	V	52.1	Low	55.8	Low	55 Å²	55	78.6 Å²	78.6	33%	0.333	39%	0.393	S	S	.	.	H	α-helix	trans	-74.7	-36.6	-177.5	-178.7	0	0	0	0	111.6	F705 P716 R720 Y722	F705-V718 HydrophobicContact CE2-CG1 4.17Å; F705-V718 HydrophobicContact CZ-CG1 4.24Å; F705-V718 HydrophobicContact CZ-CG2 4.44Å; P716-V718 VanDerWaalsContact C-N 3.27Å; P716-V718 PolarHBondContact O-N 2.66Å; V718-R720 PolarHBondContact O-N 2.94Å; V718-Y722 HydrophobicContact CG1-CD2 3.88Å; V718-Y722 HydrophobicContact CG1-CE2 3.4Å; V718-Y722 WeakPolarHBondContact O-CD2 3.38Å
719	S	54.1	Low	56	Low	15 Å²	15	75.1 Å²	75.1	11%	0.105	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-35.4	-177.2	65.6	0	0	0	0	113.2	P716 R721 Y722 A723	P716-S719 PolarHBondContact O-N 2.76Å; P716-S719 PolarHBondContact O-OG 2.98Å; S719-R721 PolarHBondContact O-N 3.08Å; S719-Y722 PolarHBondContact O-N 3.05Å; S719-A723 WeakPolarHBondContact O-CB 3.47Å; S719-A723 PolarHBondContact O-N 3.07Å
720	R	57.1	Low	56.3	Low	184 Å²	184	74.4 Å²	74.4	69%	0.694	38%	0.376	S	S	*	.	H	α-helix	trans	-64.2	-42.6	-178.2	-170.3	175.1	175.4	-176.5	-1.2	112.4	V718 Y722 A723 C724	V718-R720 PolarHBondContact O-N 2.94Å; R720-Y722 PolarHBondContact O-N 3.38Å; R720-A723 PolarHBondContact O-N 3.36Å; R720-C724 WeakPolarHBondContact O-CB 3.37Å; R720-C724 PolarHBondContact O-N 2.9Å; R720-C724 PolarHBondContact O-SG 2.96Å
721	R	56.6	Low	57.5	Low	210 Å²	210	75 Å²	75	79%	0.792	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-43	-179.9	-71.6	-173.8	175	-173.7	-1.3	111.7	S719 S725	S719-R721 PolarHBondContact O-N 3.08Å; R721-S725 PolarHBondContact O-N 3.5Å
722	Y	56.3	Low	58.9	Low	65 Å²	65	69.5 Å²	69.5	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-71.5	-39.1	179.2	-71	-62.4	0	0	0	113.3	T697 V698 V718 S719 R720 C724 S725 G726	T697-Y722 WeakPolarHBondContact OG1-CE1 3.32Å; V698-Y722 HydrophobicContact CG2-CD1 3.63Å; V698-Y722 HydrophobicContact CG2-CD2 4.23Å; V698-Y722 HydrophobicContact CG2-CG 3.5Å; V698-Y722 VanDerWaalsContact CG2-CG 3.5Å; V718-Y722 HydrophobicContact CG1-CD2 3.88Å; V718-Y722 HydrophobicContact CG1-CE2 3.4Å; V718-Y722 WeakPolarHBondContact O-CD2 3.38Å; S719-Y722 PolarHBondContact O-N 3.05Å; R720-Y722 PolarHBondContact O-N 3.38Å; Y722-C724 PolarHBondContact O-N 3.04Å; Y722-S725 WeakPolarHBondContact O-CB 3.05Å; Y722-S725 PolarHBondContact O-N 3.22Å; Y722-S725 VanDerWaalsContact O-N 3.16Å; Y722-S725 PolarHBondContact O-OG 2.76Å; Y722-G726 PolarHBondContact O-N 3.3Å
723	A	54.8	Low	60.5	Low	8 Å²	8	64.6 Å²	64.6	7%	0.066	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-38.9	177.5	0	0	0	0	0	111.7	L296 F299 V300 S719 R720 S725 G726 C727	L296-A723 HydrophobicContact CD1-CB 3.56Å; L296-A723 VanDerWaalsContact CD1-O 3.3Å; L296-A723 WeakPolarHBondContact CD1-O 3.28Å; F299-A723 HydrophobicContact CB-CB 4.21Å; V300-A723 HydrophobicContact CG2-CB 3.42Å; V300-A723 VanDerWaalsContact CG2-CB 3.42Å; S719-A723 WeakPolarHBondContact O-CB 3.47Å; S719-A723 PolarHBondContact O-N 3.07Å; R720-A723 PolarHBondContact O-N 3.36Å; A723-S725 VanDerWaalsContact C-N 3.26Å; A723-S725 PolarHBondContact O-N 3.14Å; A723-G726 PolarHBondContact O-N 3.02Å; A723-C727 PolarHBondContact O-N 3.38Å
724	C	59.4	Low	62.3	Low	61 Å²	61	60.8 Å²	60.8	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-35.2	172.6	-72.2	0	0	0	0	112.5	R720 Y722 C727 S728	R720-C724 WeakPolarHBondContact O-CB 3.37Å; R720-C724 PolarHBondContact O-N 2.9Å; R720-C724 PolarHBondContact O-SG 2.96Å; Y722-C724 PolarHBondContact O-N 3.04Å; C724-C727 PolarHBondContact O-N 3.36Å; C724-S728 PolarHBondContact O-N 3.27Å; C724-S728 VanDerWaalsContact O-N 3.11Å
725	S	59.4	Low	64.1	Low	12 Å²	12	61.7 Å²	61.7	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-35.9	176.5	79.9	0	0	0	0	112.8	R721 Y722 A723 C729	R721-S725 PolarHBondContact O-N 3.5Å; Y722-S725 WeakPolarHBondContact O-CB 3.05Å; Y722-S725 PolarHBondContact O-N 3.22Å; Y722-S725 VanDerWaalsContact O-N 3.16Å; Y722-S725 PolarHBondContact O-OG 2.76Å; A723-S725 VanDerWaalsContact C-N 3.26Å; A723-S725 PolarHBondContact O-N 3.14Å; S725-C729 WeakPolarHBondContact O-CB 3.3Å; S725-C729 PolarHBondContact O-N 3.15Å
726	G	56.6	Low	65.8	Low	19 Å²	19	51.9 Å²	51.9	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-38.5	173.5	0	0	0	0	0	113.5	Y722 A723 C729 A730	Y722-G726 PolarHBondContact O-N 3.3Å; A723-G726 PolarHBondContact O-N 3.02Å; G726-C729 WeakPolarHBondContact O-CB 3.06Å; G726-C729 PolarHBondContact O-N 3.42Å; G726-A730 PolarHBondContact O-N 2.87Å
727	C	66.2	Low	67.4	Low	20 Å²	20	48.4 Å²	48.4	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-45.5	175.1	-171.3	0	0	0	0	112.1	G292 L296 A723 C724 C729 A730 F731	G292-C727 VanDerWaalsContact C-SG 3.53Å; L296-C727 HydrophobicContact CB-CB 4.08Å; L296-C727 HydrophobicContact CD2-CB 4.37Å; A723-C727 PolarHBondContact O-N 3.38Å; C724-C727 PolarHBondContact O-N 3.36Å; C727-C729 VanDerWaalsContact C-N 3.3Å; C727-C729 PolarHBondContact O-N 3.5Å; C727-A730 PolarHBondContact O-N 2.79Å; C727-F731 PolarHBondContact O-N 3.33Å; C727-F731 VanDerWaalsContact O-N 3.12Å
728	S	68.9	Low	69	Low	55 Å²	55	44 Å²	44	39%	0.385	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-41.4	176.9	-178.5	0	0	0	0	110.9	C724 F731 C732	C724-S728 PolarHBondContact O-N 3.27Å; C724-S728 VanDerWaalsContact O-N 3.11Å; S728-F731 PolarHBondContact O-N 2.61Å; S728-C732 VanDerWaalsContact O-CB 3.26Å; S728-C732 WeakPolarHBondContact O-CB 3.05Å; S728-C732 PolarHBondContact O-N 3.26Å; S728-C732 PolarHBondContact O-SG 3.46Å
729	C	71.9	Confident	70.7	Confident	18 Å²	18	42.6 Å²	42.6	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-54.6	174.9	179.5	0	0	0	0	112.7	G688 S725 G726 C727 F731 C732 F733	G688-C729 PolarHBondContact O-SG 3.1Å; S725-C729 WeakPolarHBondContact O-CB 3.3Å; S725-C729 PolarHBondContact O-N 3.15Å; G726-C729 WeakPolarHBondContact O-CB 3.06Å; G726-C729 PolarHBondContact O-N 3.42Å; C727-C729 VanDerWaalsContact C-N 3.3Å; C727-C729 PolarHBondContact O-N 3.5Å; C729-F731 VanDerWaalsContact C-N 3.34Å; C729-F731 PolarHBondContact O-N 3.26Å; C729-C732 PolarHBondContact O-N 3.18Å; C729-F733 WeakPolarHBondContact O-CD2 3.14Å; C729-F733 PolarHBondContact O-N 3.28Å; C729-F733 WeakPolarHBondContact SG-CD2 3.39Å; C729-F733 VanDerWaalsContact SG-CE2 3.53Å
730	A	70.4	Confident	72.3	Confident	19 Å²	19	42.1 Å²	42.1	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-41.3	-178.4	0	0	0	0	0	112.5	G726 C727 G734	G726-A730 PolarHBondContact O-N 2.87Å; C727-A730 PolarHBondContact O-N 2.79Å; A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 2.9Å
731	F	80	Confident	73.7	Confident	70 Å²	70	33.6 Å²	33.6	31%	0.307	18%	0.176	S	C	.	.	H	α-helix	trans	-68.7	-46	177.6	178.1	-103.8	0	0	0	112.3	L289 C727 S728 C729 G734 K735	L289-F731 HydrophobicContact CB-CD2 3.96Å; L289-F731 HydrophobicContact CB-CE2 4.2Å; L289-F731 HydrophobicContact CD1-CD2 4.3Å; L289-F731 HydrophobicContact CD1-CE2 4.03Å; L289-F731 HydrophobicContact CG-CD2 4.33Å; C727-F731 PolarHBondContact O-N 3.33Å; C727-F731 VanDerWaalsContact O-N 3.12Å; S728-F731 PolarHBondContact O-N 2.61Å; C729-F731 VanDerWaalsContact C-N 3.34Å; C729-F731 PolarHBondContact O-N 3.26Å; F731-G734 PolarHBondContact O-N 3.45Å; F731-K735 HydrophobicContact CE1-CD 4.49Å; F731-K735 VanDerWaalsContact O-CB 3.28Å; F731-K735 WeakPolarHBondContact O-CB 3.44Å; F731-K735 PolarHBondContact O-N 3.21Å
732	C	81.2	Confident	75.3	Confident	16 Å²	16	24.7 Å²	24.7	11%	0.108	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-45	-177.4	-73.8	0	0	0	0	112.4	C684 S728 C729 A736	C684-C732 HydrophobicContact CB-CB 4.32Å; C684-C732 WeakPolarHBondContact O-CB 3.39Å; S728-C732 VanDerWaalsContact O-CB 3.26Å; S728-C732 WeakPolarHBondContact O-CB 3.05Å; S728-C732 PolarHBondContact O-N 3.26Å; S728-C732 PolarHBondContact O-SG 3.46Å; C729-C732 PolarHBondContact O-N 3.18Å; C732-A736 WeakPolarHBondContact O-CB 3.35Å; C732-A736 PolarHBondContact O-N 3.25Å
733	F	80.8	Confident	76.9	Confident	6 Å²	6	24 Å²	24	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-38.7	174.4	-75.1	-56.4	0	0	0	112.4	L685 G688 S689 C692 C729 A736 G737 N785 Y786 P787	L685-F733 HydrophobicContact CD2-CD1 3.87Å; L685-F733 HydrophobicContact CD2-CE1 3.87Å; G688-F733 VanDerWaalsContact O-CE2 3.3Å; G688-F733 WeakPolarHBondContact O-CE2 3.47Å; S689-F733 VanDerWaalsContact N-CZ 3.34Å; C692-F733 HydrophobicContact CB-CE2 4.48Å; C729-F733 WeakPolarHBondContact O-CD2 3.14Å; C729-F733 PolarHBondContact O-N 3.28Å; C729-F733 WeakPolarHBondContact SG-CD2 3.39Å; C729-F733 VanDerWaalsContact SG-CE2 3.53Å; F733-A736 PolarHBondContact O-N 3.2Å; F733-G737 PolarHBondContact O-N 2.9Å; F733-N785 HydrophobicContact CD1-CB 4.22Å; F733-N785 WeakPolarHBondContact CD1-O 3.31Å; F733-N785 WeakPolarHBondContact CE1-O 3.48Å; F733-Y786 HydrophobicContact CB-CE1 4.18Å; F733-P787 HydrophobicContact CE2-CG 4.33Å; F733-P787 VanDerWaalsContact CZ-CD 3.47Å; F733-P787 HydrophobicContact CZ-CG 3.76Å
734	G	81.5	Confident	78.6	Confident	3 Å²	3	23.7 Å²	23.7	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-49.2	174.7	0	0	0	0	0	111.7	N288 A730 F731 A736 G737 E738	N288-G734 WeakPolarHBondContact ND2-CA 3.49Å; N288-G734 PolarHBondContact ND2-O 3.26Å; A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 2.9Å; F731-G734 PolarHBondContact O-N 3.45Å; G734-A736 PolarHBondContact O-N 3.09Å; G734-G737 PolarHBondContact O-N 3.25Å; G734-E738 WeakPolarHBondContact O-CG 3.47Å; G734-E738 PolarHBondContact O-N 2.99Å
735	K	85.2	Confident	80.2	Confident	71 Å²	71	21.6 Å²	21.6	31%	0.309	12%	0.124	S	C	.	.	H	α-helix	trans	-58.9	-48.8	175.9	-176.4	-178.8	176.1	-175.9	0	111.8	Y285 F731 G737 E738 D739	Y285-K735 HydrophobicContact CD1-CB 4.45Å; Y285-K735 HydrophobicContact CD1-CG 4.21Å; Y285-K735 HydrophobicContact CE1-CB 4.3Å; Y285-K735 HydrophobicContact CE1-CG 3.74Å; F731-K735 HydrophobicContact CE1-CD 4.49Å; F731-K735 VanDerWaalsContact O-CB 3.28Å; F731-K735 WeakPolarHBondContact O-CB 3.44Å; F731-K735 PolarHBondContact O-N 3.21Å; K735-G737 VanDerWaalsContact C-N 3.29Å; K735-G737 PolarHBondContact O-N 3.32Å; K735-E738 PolarHBondContact O-N 3.04Å; K735-D739 PolarHBondContact O-N 3.36Å
736	A	85	Confident	81.8	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-39.4	178.2	0	0	0	0	0	112.1	N681 C684 L685 C732 F733 G734 L740	N681-A736 HydrophobicContact CB-CB 4.3Å; C684-A736 HydrophobicContact CB-CB 4.29Å; L685-A736 HydrophobicContact CD2-CB 3.96Å; L685-A736 HydrophobicContact CG-CB 4.38Å; C732-A736 WeakPolarHBondContact O-CB 3.35Å; C732-A736 PolarHBondContact O-N 3.25Å; F733-A736 PolarHBondContact O-N 3.2Å; G734-A736 PolarHBondContact O-N 3.09Å; A736-L740 VanDerWaalsContact O-CB 3.31Å; A736-L740 WeakPolarHBondContact O-CB 3.46Å; A736-L740 PolarHBondContact O-N 3.42Å
737	G	85	Confident	83.5	Confident	5 Å²	5	26.1 Å²	26.1	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-42.2	177.3	0	0	0	0	0	113.9	F733 G734 K735 L740 T741	F733-G737 PolarHBondContact O-N 2.9Å; G734-G737 PolarHBondContact O-N 3.25Å; K735-G737 VanDerWaalsContact C-N 3.29Å; K735-G737 PolarHBondContact O-N 3.32Å; G737-L740 PolarHBondContact O-N 2.97Å; G737-T741 WeakPolarHBondContact O-CB 3.4Å; G737-T741 PolarHBondContact O-N 3.48Å; G737-T741 PolarHBondContact O-OG1 3.25Å
738	E	86.6	Confident	84.8	Confident	11 Å²	11	25.1 Å²	25.1	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-39.1	177.3	-63.9	-60.9	165.5	0	0	111.7	Y285 K287 N288 G734 K735 T741 L742	Y285-E738 HydrophobicContact CD1-CB 4.1Å; Y285-E738 HydrophobicContact CD1-CG 4.36Å; Y285-E738 HydrophobicContact CE1-CB 3.82Å; K287-E738 IonicContact NZ-OE1 2.77Å; K287-E738 PolarHBondContact NZ-OE1 3.44Å; N288-E738 VanDerWaalsContact ND2-CG 3.34Å; N288-E738 WeakPolarHBondContact ND2-CG 3.47Å; N288-E738 PolarHBondContact ND2-OE1 3.34Å; G734-E738 WeakPolarHBondContact O-CG 3.47Å; G734-E738 PolarHBondContact O-N 2.99Å; K735-E738 PolarHBondContact O-N 3.04Å; E738-T741 PolarHBondContact O-N 3.37Å; E738-L742 PolarHBondContact O-N 2.83Å
739	D	87.8	Confident	86	Confident	25 Å²	25	22.6 Å²	22.6	13%	0.134	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-42.2	174	-90.4	-32.5	0	0	0	112.6	R281 Y285 N681 K735 T741 L742 M743	R281-D739 WeakPolarHBondContact CD-OD1 3.26Å; R281-D739 IonicContact CZ-OD1 3.14Å; R281-D739 IonicContact NH1-OD1 3.96Å; R281-D739 PolarHBondContact NH1-OD1 3.01Å; Y285-D739 PolarHBondContact OH-OD1 2.91Å; Y285-D739 PolarHBondContact OH-OD2 2.91Å; N681-D739 WeakPolarHBondContact ND2-CB 3.42Å; N681-D739 PolarHBondContact ND2-OD2 3.48Å; K735-D739 PolarHBondContact O-N 3.36Å; D739-T741 VanDerWaalsContact C-N 3.31Å; D739-T741 PolarHBondContact O-N 3.25Å; D739-L742 PolarHBondContact O-N 3.34Å; D739-M743 VanDerWaalsContact O-CB 3.31Å; D739-M743 WeakPolarHBondContact O-CB 3.38Å; D739-M743 PolarHBondContact O-N 3.4Å
740	L	87.1	Confident	87	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.1	177.9	64	0	0	0	110.5	A736 G737 M743 L744 I781	A736-L740 VanDerWaalsContact O-CB 3.31Å; A736-L740 WeakPolarHBondContact O-CB 3.46Å; A736-L740 PolarHBondContact O-N 3.42Å; G737-L740 PolarHBondContact O-N 2.97Å; L740-M743 HydrophobicContact CD1-CE 3.65Å; L740-M743 PolarHBondContact O-N 2.85Å; L740-L744 HydrophobicContact CD1-CD1 3.87Å; L740-L744 HydrophobicContact CD1-CG 3.96Å; L740-L744 HydrophobicContact CG-CD1 3.89Å; L740-L744 HydrophobicContact CG-CG 4.33Å; L740-L744 WeakPolarHBondContact O-CB 3.46Å; L740-L744 WeakPolarHBondContact O-CG 3.31Å; L740-L744 PolarHBondContact O-N 2.84Å; L740-I781 HydrophobicContact CD2-CG2 4.36Å
741	T	88	Confident	88.1	Confident	5 Å²	5	26.7 Å²	26.7	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-46.7	179.2	-57.9	0	0	0	0	111.2	G737 E738 D739 M743 R745 V778 P779	G737-T741 WeakPolarHBondContact O-CB 3.4Å; G737-T741 PolarHBondContact O-N 3.48Å; G737-T741 PolarHBondContact O-OG1 3.25Å; E738-T741 PolarHBondContact O-N 3.37Å; D739-T741 VanDerWaalsContact C-N 3.31Å; D739-T741 PolarHBondContact O-N 3.25Å; T741-M743 PolarHBondContact O-N 2.91Å; T741-R745 WeakPolarHBondContact O-CB 3.29Å; T741-R745 WeakPolarHBondContact O-CG 3.4Å; T741-R745 PolarHBondContact O-N 2.71Å; T741-V778 HydrophobicContact CG2-CG1 4.18Å; T741-P779 HydrophobicContact CG2-CG 4.33Å
742	L	89.2	Confident	88.8	Confident	24 Å²	24	23.4 Å²	23.4	13%	0.126	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-50	174.5	176.7	72.3	0	0	0	110.7	L277 E738 D739 R745 V746	L277-L742 HydrophobicContact CB-CD1 3.37Å; L277-L742 HydrophobicContact CD1-CD1 3.84Å; L277-L742 HydrophobicContact CG-CD1 4.27Å; E738-L742 PolarHBondContact O-N 2.83Å; D739-L742 PolarHBondContact O-N 3.34Å; L742-R745 PolarHBondContact O-N 2.67Å; L742-V746 HydrophobicContact CD1-CG2 4.27Å; L742-V746 WeakPolarHBondContact O-CG2 3.14Å; L742-V746 PolarHBondContact O-N 2.51Å
743	M	90	Very high	89.3	Confident	49 Å²	49	22.7 Å²	22.7	24%	0.241	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-46.6	-176.7	-179.3	-84.5	-71	0	0	111.8	S677 D739 L740 T741 V746 K747	S677-M743 VanDerWaalsContact O-CE 3.28Å; S677-M743 WeakPolarHBondContact O-CE 3.18Å; D739-M743 VanDerWaalsContact O-CB 3.31Å; D739-M743 WeakPolarHBondContact O-CB 3.38Å; D739-M743 PolarHBondContact O-N 3.4Å; L740-M743 HydrophobicContact CD1-CE 3.65Å; L740-M743 PolarHBondContact O-N 2.85Å; T741-M743 PolarHBondContact O-N 2.91Å; M743-V746 PolarHBondContact O-N 3.33Å; M743-K747 HydrophobicContact CG-CD 4.47Å; M743-K747 WeakPolarHBondContact O-CB 3.49Å; M743-K747 WeakPolarHBondContact O-CG 3.03Å; M743-K747 PolarHBondContact O-N 3.23Å; M743-K747 HydrophobicContact SD-CD 3.5Å; M743-K747 VanDerWaalsContact SD-CD 3.5Å; M743-K747 WeakPolarHBondContact SD-CE 3.29Å; M743-K747 HydrophobicContact SD-CG 4.05Å
744	L	90.5	Very high	89.9	Confident	3 Å²	3	27 Å²	27	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-40.9	178.3	-71.9	176.7	0	0	0	111.8	L740 L748 V778 I781 F965 I968	L740-L744 HydrophobicContact CD1-CD1 3.87Å; L740-L744 HydrophobicContact CD1-CG 3.96Å; L740-L744 HydrophobicContact CG-CD1 3.89Å; L740-L744 HydrophobicContact CG-CG 4.33Å; L740-L744 WeakPolarHBondContact O-CB 3.46Å; L740-L744 WeakPolarHBondContact O-CG 3.31Å; L740-L744 PolarHBondContact O-N 2.84Å; L744-L748 WeakPolarHBondContact O-CB 3.34Å; L744-L748 PolarHBondContact O-N 3.19Å; L744-V778 HydrophobicContact CB-CG1 3.53Å; L744-V778 HydrophobicContact CD1-CG1 4.22Å; L744-I781 HydrophobicContact CD1-CB 4.44Å; L744-I781 HydrophobicContact CD1-CD1 3.84Å; L744-I781 HydrophobicContact CD1-CG2 4.15Å; L744-F965 HydrophobicContact CD2-CE1 4.17Å; L744-F965 HydrophobicContact CD2-CZ 4.06Å; L744-I968 HydrophobicContact CD2-CD1 3.87Å
745	R	92.4	Very high	90.4	Very high	17 Å²	17	27 Å²	27	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-45.5	175.8	-79.1	-179.6	173	161	-4.3	112.1	F243 Y273 L277 T741 L742 L749 L774 V778	F243-R745 VanDerWaalsContact CZ-NH2 3.27Å; Y273-R745 HydrophobicContact CE1-CB 4.03Å; L277-R745 HydrophobicContact CD1-CB 3.77Å; T741-R745 WeakPolarHBondContact O-CB 3.29Å; T741-R745 WeakPolarHBondContact O-CG 3.4Å; T741-R745 PolarHBondContact O-N 2.71Å; L742-R745 PolarHBondContact O-N 2.67Å; R745-L749 WeakPolarHBondContact O-CB 3.44Å; R745-L749 PolarHBondContact O-N 3.43Å; R745-L774 HydrophobicContact CB-CD2 4.39Å; R745-L774 HydrophobicContact CG-CD2 4.3Å; R745-L774 PolarHBondContact NE-O 2.77Å; R745-V778 HydrophobicContact CG-CB 4.1Å; R745-V778 HydrophobicContact CG-CG1 3.86Å; R745-V778 HydrophobicContact CG-CG2 4.27Å
746	V	93.3	Very high	90.7	Very high	23 Å²	23	24.3 Å²	24.3	14%	0.139	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-48.3	178.8	173.1	0	0	0	0	110.6	I270 K274 L277 L742 M743 L748 L749 E750	I270-V746 HydrophobicContact CG2-CG1 4.36Å; K274-V746 HydrophobicContact CB-CG2 4.36Å; K274-V746 HydrophobicContact CG-CG2 4.34Å; L277-V746 HydrophobicContact CD1-CG2 4.28Å; L742-V746 HydrophobicContact CD1-CG2 4.27Å; L742-V746 WeakPolarHBondContact O-CG2 3.14Å; L742-V746 PolarHBondContact O-N 2.51Å; M743-V746 PolarHBondContact O-N 3.33Å; V746-L748 VanDerWaalsContact C-N 3.34Å; V746-L748 PolarHBondContact O-N 3.02Å; V746-L749 PolarHBondContact O-N 3.4Å; V746-E750 WeakPolarHBondContact O-CB 3.46Å; V746-E750 PolarHBondContact O-N 3.33Å
747	K	92.5	Very high	91.1	Very high	102 Å²	102	24.3 Å²	24.3	44%	0.443	11%	0.113	S	C	.	.	H	α-helix	trans	-62.7	-39.6	178.1	-75.8	-166.9	-178.1	-178.9	0	112.9	M743 N751 I968	M743-K747 HydrophobicContact CG-CD 4.47Å; M743-K747 WeakPolarHBondContact O-CB 3.49Å; M743-K747 WeakPolarHBondContact O-CG 3.03Å; M743-K747 PolarHBondContact O-N 3.23Å; M743-K747 HydrophobicContact SD-CD 3.5Å; M743-K747 VanDerWaalsContact SD-CD 3.5Å; M743-K747 WeakPolarHBondContact SD-CE 3.29Å; M743-K747 HydrophobicContact SD-CG 4.05Å; K747-N751 WeakPolarHBondContact O-CB 3.33Å; K747-N751 PolarHBondContact O-N 3.47Å; K747-I968 HydrophobicContact CB-CD1 4.29Å; K747-I968 HydrophobicContact CB-CG2 4.48Å
748	L	93.6	Very high	91.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-49.1	177	179.8	60.5	0	0	0	110.3	L744 V746 E750 N751 L752 L774 V778 V964 M967 I968	L744-L748 WeakPolarHBondContact O-CB 3.34Å; L744-L748 PolarHBondContact O-N 3.19Å; V746-L748 VanDerWaalsContact C-N 3.34Å; V746-L748 PolarHBondContact O-N 3.02Å; L748-E750 VanDerWaalsContact C-N 3.34Å; L748-E750 PolarHBondContact O-N 3.06Å; L748-N751 PolarHBondContact O-N 3.11Å; L748-L752 HydrophobicContact CD1-CD1 4.15Å; L748-L752 HydrophobicContact CD1-CG 4.28Å; L748-L752 HydrophobicContact CG-CD1 3.88Å; L748-L752 HydrophobicContact CG-CG 4.47Å; L748-L752 WeakPolarHBondContact O-CB 3.41Å; L748-L752 WeakPolarHBondContact O-CD1 3.49Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 2.91Å; L748-L774 HydrophobicContact CB-CD2 4.28Å; L748-L774 HydrophobicContact CD2-CD2 3.73Å; L748-L774 HydrophobicContact CD2-CG 3.94Å; L748-L774 HydrophobicContact CG-CD2 4.11Å; L748-V778 HydrophobicContact CD2-CG2 4.08Å; L748-V964 HydrophobicContact CD2-CG1 4.31Å; L748-V964 HydrophobicContact CD2-CG2 4.45Å; L748-M967 HydrophobicContact CD1-CB 3.48Å; L748-M967 VanDerWaalsContact CD1-CB 3.48Å; L748-M967 HydrophobicContact CD1-SD 4.33Å; L748-I968 HydrophobicContact CB-CD1 4.3Å; L748-I968 HydrophobicContact CB-CG1 4.02Å; L748-I968 HydrophobicContact CD1-CG1 4.05Å
749	L	93.8	Very high	91.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-39.7	177.3	-172.8	67.3	0	0	0	112.1	A250 I254 Y273 R745 V746 L752 L753 L774	A250-L749 HydrophobicContact CB-CD1 4.32Å; I254-L749 HydrophobicContact CD1-CD1 4.19Å; I254-L749 HydrophobicContact CG1-CD1 4.35Å; Y273-L749 HydrophobicContact CD1-CB 4.26Å; Y273-L749 HydrophobicContact CD1-CD2 3.26Å; Y273-L749 HydrophobicContact CD1-CG 4.38Å; Y273-L749 HydrophobicContact CD2-CD2 4.1Å; Y273-L749 HydrophobicContact CE1-CB 4.23Å; Y273-L749 HydrophobicContact CE1-CD2 3.85Å; Y273-L749 HydrophobicContact CG-CD2 3.38Å; R745-L749 WeakPolarHBondContact O-CB 3.44Å; R745-L749 PolarHBondContact O-N 3.43Å; V746-L749 PolarHBondContact O-N 3.4Å; L749-L752 PolarHBondContact O-N 3.23Å; L749-L753 HydrophobicContact CD1-CD1 4.29Å; L749-L753 HydrophobicContact CD1-CG 4.21Å; L749-L753 HydrophobicContact CD2-CD1 4.43Å; L749-L753 HydrophobicContact CG-CD1 3.97Å; L749-L753 HydrophobicContact CG-CG 4.27Å; L749-L753 WeakPolarHBondContact O-CB 3.28Å; L749-L753 VanDerWaalsContact O-CG 3.32Å; L749-L753 WeakPolarHBondContact O-CG 3.27Å; L749-L753 PolarHBondContact O-N 2.84Å; L749-L774 HydrophobicContact CD1-CD1 4.43Å
750	E	93.8	Very high	91.7	Very high	105 Å²	105	25.1 Å²	25.1	49%	0.491	12%	0.115	S	C	.	.	H	α-helix	trans	-59.7	-46.4	175.9	179.2	173.4	-166.8	0	0	111.5	I270 V746 L748 R754	I270-E750 HydrophobicContact CD1-CB 4.03Å; I270-E750 HydrophobicContact CD1-CG 3.98Å; V746-E750 WeakPolarHBondContact O-CB 3.46Å; V746-E750 PolarHBondContact O-N 3.33Å; L748-E750 VanDerWaalsContact C-N 3.34Å; L748-E750 PolarHBondContact O-N 3.06Å; E750-R754 PolarHBondContact O-N 3.45Å
751	N	93.5	Very high	91.6	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-70.4	-36.7	177.3	-160.9	55.6	0	0	0	112.5	K747 L748 R754 Q755 M967 I968 A970	K747-N751 WeakPolarHBondContact O-CB 3.33Å; K747-N751 PolarHBondContact O-N 3.47Å; L748-N751 PolarHBondContact O-N 3.11Å; N751-R754 WeakPolarHBondContact O-CB 3.36Å; N751-R754 PolarHBondContact O-N 3.18Å; N751-R754 VanDerWaalsContact O-N 3.16Å; N751-Q755 PolarHBondContact ND2-NE2 3.36Å; N751-Q755 VanDerWaalsContact ND2-NE2 3.2Å; N751-Q755 WeakPolarHBondContact O-CG 3.38Å; N751-Q755 PolarHBondContact O-N 3.08Å; N751-Q755 PolarHBondContact O-NE2 3.49Å; N751-M967 PolarHBondContact ND2-O 3.19Å; N751-I968 PolarHBondContact ND2-O 2.9Å; N751-A970 PolarHBondContact ND2-O 2.66Å
752	L	93.3	Very high	91.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-49.1	174.7	-78.5	166.9	0	0	0	111.6	L748 L749 R754 Q755 Y759 F760 I770 L774 M967	L748-L752 HydrophobicContact CD1-CD1 4.15Å; L748-L752 HydrophobicContact CD1-CG 4.28Å; L748-L752 HydrophobicContact CG-CD1 3.88Å; L748-L752 HydrophobicContact CG-CG 4.47Å; L748-L752 WeakPolarHBondContact O-CB 3.41Å; L748-L752 WeakPolarHBondContact O-CD1 3.49Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 2.91Å; L749-L752 PolarHBondContact O-N 3.23Å; L752-R754 PolarHBondContact O-N 3.28Å; L752-Q755 WeakPolarHBondContact O-CB 3.42Å; L752-Q755 PolarHBondContact O-N 3.32Å; L752-Y759 HydrophobicContact CD2-CE1 3.93Å; L752-F760 VanDerWaalsContact O-CZ 3.28Å; L752-F760 WeakPolarHBondContact O-CZ 3.5Å; L752-I770 HydrophobicContact CD1-CG2 3.35Å; L752-I770 HydrophobicContact CD2-CD1 3.96Å; L752-I770 HydrophobicContact CD2-CG2 4.04Å; L752-I770 HydrophobicContact CG-CG2 4.32Å; L752-L774 HydrophobicContact CD1-CD1 4.25Å; L752-M967 HydrophobicContact CD2-CE 3.68Å
753	L	93	Very high	90.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-69	-12.2	178.3	-66.2	176.3	0	0	0	113.2	A253 I257 Q266 E269 I270 L749	A253-L753 HydrophobicContact CB-CD2 4.39Å; I257-L753 HydrophobicContact CD1-CD2 3.62Å; Q266-L753 HydrophobicContact CB-CB 4.26Å; Q266-L753 HydrophobicContact CG-CB 4.22Å; Q266-L753 WeakPolarHBondContact CG-O 3.39Å; E269-L753 HydrophobicContact CB-CD1 4Å; I270-L753 HydrophobicContact CD1-CD1 4.38Å; I270-L753 HydrophobicContact CG1-CD1 3.75Å; L749-L753 HydrophobicContact CD1-CD1 4.29Å; L749-L753 HydrophobicContact CD1-CG 4.21Å; L749-L753 HydrophobicContact CD2-CD1 4.43Å; L749-L753 HydrophobicContact CG-CD1 3.97Å; L749-L753 HydrophobicContact CG-CG 4.27Å; L749-L753 WeakPolarHBondContact O-CB 3.28Å; L749-L753 VanDerWaalsContact O-CG 3.32Å; L749-L753 WeakPolarHBondContact O-CG 3.27Å; L749-L753 PolarHBondContact O-N 2.84Å
754	R	92.2	Very high	89.9	Confident	97 Å²	97	34.3 Å²	34.3	37%	0.366	17%	0.173	S	C	.	.	H	α-helix	trans	-86.7	-21.9	172.3	-161.4	-174.4	175.8	-169	-2.3	112.6	E750 N751 L752 P972 D975 C977	E750-R754 PolarHBondContact O-N 3.45Å; N751-R754 WeakPolarHBondContact O-CB 3.36Å; N751-R754 PolarHBondContact O-N 3.18Å; N751-R754 VanDerWaalsContact O-N 3.16Å; L752-R754 PolarHBondContact O-N 3.28Å; R754-P972 HydrophobicContact CG-CG 4.17Å; R754-P972 WeakPolarHBondContact O-CB 3.43Å; R754-D975 VanDerWaalsContact CG-OD1 3.26Å; R754-D975 WeakPolarHBondContact CG-OD1 3.34Å; R754-D975 IonicContact CZ-OD1 3.74Å; R754-D975 IonicContact CZ-OD2 3.7Å; R754-D975 VanDerWaalsContact CZ-OD2 3.32Å; R754-D975 IonicContact NE-OD1 3.64Å; R754-D975 PolarHBondContact NE-OD1 3.24Å; R754-D975 IonicContact NE-OD2 3.33Å; R754-D975 PolarHBondContact NE-OD2 3.31Å; R754-D975 IonicContact NH2-OD1 2.9Å; R754-D975 IonicContact NH2-OD2 3.81Å; R754-D975 PolarHBondContact NH2-OD2 3.2Å; R754-C977 HydrophobicContact CG-CB 4.33Å
755	Q	93.4	Very high	89.6	Confident	4 Å²	4	36 Å²	36	2%	0.019	18%	0.181	C	C	.	.	S	Bend	trans	-62.3	150.2	177.2	-60.4	-54.9	-61.2	0	0	111.7	N751 L752 Y759 F760 A970	N751-Q755 PolarHBondContact ND2-NE2 3.36Å; N751-Q755 VanDerWaalsContact ND2-NE2 3.2Å; N751-Q755 WeakPolarHBondContact O-CG 3.38Å; N751-Q755 PolarHBondContact O-N 3.08Å; N751-Q755 PolarHBondContact O-NE2 3.49Å; L752-Q755 WeakPolarHBondContact O-CB 3.42Å; L752-Q755 PolarHBondContact O-N 3.32Å; Q755-Y759 HydrophobicContact CB-CD1 3.96Å; Q755-Y759 HydrophobicContact CB-CD2 4.45Å; Q755-Y759 HydrophobicContact CB-CG 3.81Å; Q755-Y759 HydrophobicContact CG-CD1 3.89Å; Q755-Y759 HydrophobicContact CG-CD2 4.14Å; Q755-Y759 HydrophobicContact CG-CE1 4.18Å; Q755-Y759 HydrophobicContact CG-CE2 4.43Å; Q755-Y759 HydrophobicContact CG-CG 3.87Å; Q755-F760 HydrophobicContact CB-CE2 3.99Å; Q755-F760 HydrophobicContact CB-CZ 4.46Å; Q755-A970 PolarHBondContact NE2-O 2.99Å
756	E	91.5	Very high	89.2	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.061	19%	0.193	C	C	.	.			trans	-71.8	166.4	172.8	72.8	-75.5	166	0	0	112.5	S758 Y759 F760 P972 I973 I974	E756-S758 VanDerWaalsContact C-N 3.29Å; E756-S758 WeakPolarHBondContact CG-OG 3.28Å; E756-S758 PolarHBondContact O-N 3.01Å; E756-S758 PolarHBondContact OE1-OG 3.4Å; E756-Y759 VanDerWaalsContact O-CB 3.26Å; E756-Y759 WeakPolarHBondContact O-CB 3.21Å; E756-Y759 PolarHBondContact O-N 2.85Å; E756-Y759 VanDerWaalsContact O-N 3.14Å; E756-F760 WeakPolarHBondContact O-CD2 3.36Å; E756-P972 WeakPolarHBondContact OE2-CA 3.5Å; E756-I973 PolarHBondContact OE2-N 2.56Å; E756-I974 HydrophobicContact CB-CB 3.9Å; E756-I974 HydrophobicContact CB-CD1 4.45Å; E756-I974 HydrophobicContact CB-CG1 4.33Å
757	V	92.3	Very high	88.9	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-35.2	-177.1	-178.4	0	0	0	0	111.9	R258 L261 Y759 F760 D761 F1042 Y1043	R258-V757 HydrophobicContact CG-CG1 3.92Å; R258-V757 HydrophobicContact CG-CG2 4.21Å; L261-V757 HydrophobicContact CD1-CG2 3.72Å; V757-Y759 PolarHBondContact O-N 3.28Å; V757-Y759 VanDerWaalsContact O-N 3.16Å; V757-F760 PolarHBondContact O-N 2.86Å; V757-D761 PolarHBondContact O-N 3.38Å; V757-F1042 HydrophobicContact CB-CB 4.06Å; V757-F1042 HydrophobicContact CB-CG 4.5Å; V757-F1042 HydrophobicContact CG2-CB 3.69Å; V757-F1042 HydrophobicContact CG2-CD1 3.62Å; V757-F1042 HydrophobicContact CG2-CD2 4.35Å; V757-F1042 HydrophobicContact CG2-CE1 4.31Å; V757-F1042 HydrophobicContact CG2-CG 3.65Å; V757-Y1043 WeakPolarHBondContact CG1-OH 3.21Å
758	S	90.3	Very high	88.3	Confident	12 Å²	12	35.4 Å²	35.4	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-26.9	177.5	53.6	0	0	0	0	113.7	E756 F760 D761 H762	E756-S758 VanDerWaalsContact C-N 3.29Å; E756-S758 WeakPolarHBondContact CG-OG 3.28Å; E756-S758 PolarHBondContact O-N 3.01Å; E756-S758 PolarHBondContact OE1-OG 3.4Å; S758-F760 PolarHBondContact O-N 3.03Å; S758-D761 PolarHBondContact O-N 3.43Å; S758-H762 PolarHBondContact O-CD2 3.49Å; S758-H762 VanDerWaalsContact O-CD2 3.27Å
759	Y	90.9	Very high	87.7	Confident	23 Å²	23	39 Å²	39	9%	0.09	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-38.9	174.5	-174.9	-94.8	0	0	0	111.5	L752 Q755 E756 V757 H765 M967	L752-Y759 HydrophobicContact CD2-CE1 3.93Å; Q755-Y759 HydrophobicContact CB-CD1 3.96Å; Q755-Y759 HydrophobicContact CB-CD2 4.45Å; Q755-Y759 HydrophobicContact CB-CG 3.81Å; Q755-Y759 HydrophobicContact CG-CD1 3.89Å; Q755-Y759 HydrophobicContact CG-CD2 4.14Å; Q755-Y759 HydrophobicContact CG-CE1 4.18Å; Q755-Y759 HydrophobicContact CG-CE2 4.43Å; Q755-Y759 HydrophobicContact CG-CG 3.87Å; E756-Y759 VanDerWaalsContact O-CB 3.26Å; E756-Y759 WeakPolarHBondContact O-CB 3.21Å; E756-Y759 PolarHBondContact O-N 2.85Å; E756-Y759 VanDerWaalsContact O-N 3.14Å; V757-Y759 PolarHBondContact O-N 3.28Å; V757-Y759 VanDerWaalsContact O-N 3.16Å; Y759-H765 HydrophobicContact CD1-CB 4.09Å; Y759-H765 AromaticContact CD1-ND1 3.88Å; Y759-H765 AromaticContact CD2-CE1 3.99Å; Y759-H765 AromaticContact CD2-ND1 3.78Å; Y759-H765 HydrophobicContact CE1-CB 3.87Å; Y759-H765 AromaticContact CE1-CD2 3.97Å; Y759-H765 AromaticContact CE1-CG 3.56Å; Y759-H765 AromaticContact CE1-ND1 3.61Å; Y759-H765 AromaticContact CE2-CE1 3.33Å; Y759-H765 WeakPolarHBondContact CE2-CE1 3.36Å; Y759-H765 AromaticContact CE2-ND1 3.49Å; Y759-H765 WeakPolarHBondContact CE2-ND1 3.49Å; Y759-H765 AromaticContact CE2-NE2 3.97Å; Y759-H765 AromaticContact CG-ND1 3.96Å; Y759-H765 AromaticContact CZ-CD2 3.74Å; Y759-H765 AromaticContact CZ-CE1 3.37Å; Y759-H765 AromaticContact CZ-CG 3.64Å; Y759-H765 AromaticContact CZ-ND1 3.39Å; Y759-H765 AromaticContact CZ-NE2 3.6Å; Y759-H765 WeakPolarHBondContact O-CB 3.4Å; Y759-H765 PolarHBondContact O-ND1 2.89Å; Y759-H765 VanDerWaalsContact O-ND1 3.11Å; Y759-H765 PolarHBondContact OH-NE2 3.4Å; Y759-M967 HydrophobicContact CE1-CE 4.49Å; Y759-M967 WeakPolarHBondContact OH-CE 3.13Å
760	F	91.3	Very high	87.4	Confident	24 Å²	24	39 Å²	39	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-85.5	-17.4	-177.9	-61.2	-85.7	0	0	0	113.8	I254 I257 L752 Q755 E756 V757 S758 H762 I770	I254-F760 HydrophobicContact CG2-CD1 4.04Å; I254-F760 HydrophobicContact CG2-CE1 3.82Å; I257-F760 HydrophobicContact CD1-CE2 4.22Å; I257-F760 HydrophobicContact CD1-CZ 4.24Å; I257-F760 HydrophobicContact CG1-CD2 4.03Å; I257-F760 HydrophobicContact CG1-CE2 3.68Å; I257-F760 HydrophobicContact CG1-CZ 4.04Å; I257-F760 HydrophobicContact CG2-CB 4.49Å; I257-F760 HydrophobicContact CG2-CD2 4.13Å; I257-F760 HydrophobicContact CG2-CG 4.19Å; L752-F760 VanDerWaalsContact O-CZ 3.28Å; L752-F760 WeakPolarHBondContact O-CZ 3.5Å; Q755-F760 HydrophobicContact CB-CE2 3.99Å; Q755-F760 HydrophobicContact CB-CZ 4.46Å; E756-F760 WeakPolarHBondContact O-CD2 3.36Å; V757-F760 PolarHBondContact O-N 2.86Å; S758-F760 PolarHBondContact O-N 3.03Å; F760-H762 PolarHBondContact O-N 3.44Å; F760-I770 HydrophobicContact CD1-CD1 3.78Å; F760-I770 HydrophobicContact CE1-CD1 3.65Å
761	D	84.2	Confident	87.1	Confident	54 Å²	54	34.5 Å²	34.5	29%	0.289	20%	0.195	S	C	.	.	H	α-helix	trans	-72	-18.8	175.5	-64.5	-29.9	0	0	0	111.8	R258 V757 S758 A1002 Y1043	R258-D761 IonicContact NH2-OD1 2.92Å; R258-D761 PolarHBondContact NH2-OD1 3.25Å; V757-D761 PolarHBondContact O-N 3.38Å; S758-D761 PolarHBondContact O-N 3.43Å; D761-A1002 HydrophobicContact CB-CB 4.28Å; D761-Y1043 VanDerWaalsContact OD2-CE1 3.22Å; D761-Y1043 WeakPolarHBondContact OD2-CE1 3.32Å; D761-Y1043 VanDerWaalsContact OD2-CZ 3.31Å; D761-Y1043 PolarHBondContact OD2-OH 2.75Å
762	H	81.4	Confident	86.5	Confident	87 Å²	87	37.5 Å²	37.5	40%	0.403	21%	0.214	S	C	.	.	S	Bend	trans	-73.7	134.2	173.3	-72.3	-70.3	0	0	0	112.1	S758 F760 N764 H765 S766	S758-H762 PolarHBondContact O-CD2 3.49Å; S758-H762 VanDerWaalsContact O-CD2 3.27Å; F760-H762 PolarHBondContact O-N 3.44Å; H762-N764 PolarHBondContact O-N 3.34Å; H762-N764 VanDerWaalsContact O-N 3.11Å; H762-H765 CarbonylContact O-C 3.51Å; H762-H765 PolarHBondContact O-N 3.39Å; H762-S766 PolarHBondContact O-N 2.86Å
763	A	74.1	Confident	86.1	Confident	80 Å²	80	40.2 Å²	40.2	66%	0.661	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-54.6	-35.6	-179.7	0	0	0	0	0	114	H765 S766 Q769	A763-H765 PolarHBondContact O-N 3.45Å; A763-S766 PolarHBondContact O-N 3.43Å; A763-S766 PolarHBondContact O-OG 2.9Å; A763-Q769 PolarHBondContact O-NE2 2.93Å
764	N	76	Confident	85.8	Confident	55 Å²	55	40.3 Å²	40.3	29%	0.294	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-68	-12.4	178.3	-73.6	-17.4	0	0	0	114.5	H762 Q769	H762-N764 PolarHBondContact O-N 3.34Å; H762-N764 VanDerWaalsContact O-N 3.11Å; N764-Q769 VanDerWaalsContact CA-OE1 3.28Å; N764-Q769 PolarHBondContact O-OE1 2.87Å
765	H	85.7	Confident	85.4	Confident	38 Å²	38	37 Å²	37	18%	0.176	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-124.9	24.9	179.9	-57	145.3	0	0	0	111.4	Y759 H762 A763 I770	Y759-H765 HydrophobicContact CD1-CB 4.09Å; Y759-H765 AromaticContact CD1-ND1 3.88Å; Y759-H765 AromaticContact CD2-CE1 3.99Å; Y759-H765 AromaticContact CD2-ND1 3.78Å; Y759-H765 HydrophobicContact CE1-CB 3.87Å; Y759-H765 AromaticContact CE1-CD2 3.97Å; Y759-H765 AromaticContact CE1-CG 3.56Å; Y759-H765 AromaticContact CE1-ND1 3.61Å; Y759-H765 AromaticContact CE2-CE1 3.33Å; Y759-H765 WeakPolarHBondContact CE2-CE1 3.36Å; Y759-H765 AromaticContact CE2-ND1 3.49Å; Y759-H765 WeakPolarHBondContact CE2-ND1 3.49Å; Y759-H765 AromaticContact CE2-NE2 3.97Å; Y759-H765 AromaticContact CG-ND1 3.96Å; Y759-H765 AromaticContact CZ-CD2 3.74Å; Y759-H765 AromaticContact CZ-CE1 3.37Å; Y759-H765 AromaticContact CZ-CG 3.64Å; Y759-H765 AromaticContact CZ-ND1 3.39Å; Y759-H765 AromaticContact CZ-NE2 3.6Å; Y759-H765 WeakPolarHBondContact O-CB 3.4Å; Y759-H765 PolarHBondContact O-ND1 2.89Å; Y759-H765 VanDerWaalsContact O-ND1 3.11Å; Y759-H765 PolarHBondContact OH-NE2 3.4Å; H762-H765 CarbonylContact O-C 3.51Å; H762-H765 PolarHBondContact O-N 3.39Å; A763-H765 PolarHBondContact O-N 3.45Å; H765-I770 HydrophobicContact CB-CD1 4.17Å; H765-I770 WeakPolarHBondContact O-CD1 3.44Å
766	S	84.4	Confident	84.9	Confident	46 Å²	46	40 Å²	40	32%	0.322	24%	0.237	S	C	.	.			trans	-58.9	149.3	169.2	53.4	0	0	0	0	111.2	H762 A763 G768 Q769 I770	H762-S766 PolarHBondContact O-N 2.86Å; A763-S766 PolarHBondContact O-N 3.43Å; A763-S766 PolarHBondContact O-OG 2.9Å; S766-G768 VanDerWaalsContact C-N 3.28Å; S766-G768 PolarHBondContact O-N 2.87Å; S766-Q769 PolarHBondContact O-N 3.25Å; S766-Q769 WeakPolarHBondContact OG-CG 3.49Å; S766-I770 PolarHBondContact O-N 3.37Å
767	T	86.9	Confident	84.6	Confident	41 Å²	41	40.8 Å²	40.8	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-47.4	-49.1	-177.9	-53.2	0	0	0	0	112.7	E251 I254 Q769 I770 C771	E251-T767 HydrophobicContact CG-CG2 4.27Å; I254-T767 HydrophobicContact CB-CG2 4.04Å; I254-T767 HydrophobicContact CG2-CG2 3.83Å; T767-Q769 PolarHBondContact O-N 3.36Å; T767-I770 PolarHBondContact O-N 3.48Å; T767-C771 WeakPolarHBondContact O-CB 3.46Å; T767-C771 PolarHBondContact O-N 3.35Å; T767-C771 PolarHBondContact O-SG 3.14Å
768	G	79.7	Confident	84.3	Confident	42 Å²	42	40.8 Å²	40.8	43%	0.433	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-38.7	-179.2	0	0	0	0	0	113.5	S766 T772	S766-G768 VanDerWaalsContact C-N 3.28Å; S766-G768 PolarHBondContact O-N 2.87Å; G768-T772 WeakPolarHBondContact O-CB 3.16Å; G768-T772 PolarHBondContact O-N 3.33Å; G768-T772 PolarHBondContact O-OG1 2.98Å
769	Q	81.2	Confident	84	Confident	77 Å²	77	41.4 Å²	41.4	36%	0.36	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-42.9	176.9	-69.9	-170.2	14.1	0	0	111.6	A763 N764 S766 T767 T772 R773	A763-Q769 PolarHBondContact O-NE2 2.93Å; N764-Q769 VanDerWaalsContact CA-OE1 3.28Å; N764-Q769 PolarHBondContact O-OE1 2.87Å; S766-Q769 PolarHBondContact O-N 3.25Å; S766-Q769 WeakPolarHBondContact OG-CG 3.49Å; T767-Q769 PolarHBondContact O-N 3.36Å; Q769-T772 PolarHBondContact O-N 3.37Å; Q769-R773 WeakPolarHBondContact O-CG 3.32Å; Q769-R773 PolarHBondContact O-N 3.15Å
770	I	87.5	Confident	83.6	Confident	2 Å²	2	42 Å²	42	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-46.4	177.9	-63.9	175.9	0	0	0	110.8	I254 L752 F760 H765 S766 T767 T772 R773 L774 M967	I254-I770 HydrophobicContact CD1-CB 4.34Å; I254-I770 HydrophobicContact CD1-CG2 3.6Å; I254-I770 HydrophobicContact CG2-CD1 4.27Å; L752-I770 HydrophobicContact CD1-CG2 3.35Å; L752-I770 HydrophobicContact CD2-CD1 3.96Å; L752-I770 HydrophobicContact CD2-CG2 4.04Å; L752-I770 HydrophobicContact CG-CG2 4.32Å; F760-I770 HydrophobicContact CD1-CD1 3.78Å; F760-I770 HydrophobicContact CE1-CD1 3.65Å; H765-I770 HydrophobicContact CB-CD1 4.17Å; H765-I770 WeakPolarHBondContact O-CD1 3.44Å; S766-I770 PolarHBondContact O-N 3.37Å; T767-I770 PolarHBondContact O-N 3.48Å; I770-T772 VanDerWaalsContact C-N 3.29Å; I770-T772 PolarHBondContact O-N 3Å; I770-R773 PolarHBondContact O-N 3.05Å; I770-R773 VanDerWaalsContact O-N 3.15Å; I770-L774 HydrophobicContact CG2-CD1 4.2Å; I770-L774 PolarHBondContact O-N 3.47Å; I770-M967 HydrophobicContact CG1-CE 4.28Å
771	C	86.5	Confident	83.2	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-42.2	175.6	-71.8	0	0	0	0	111.7	E251 T767 R773 L774 A775	E251-C771 VanDerWaalsContact CA-SG 3.51Å; T767-C771 WeakPolarHBondContact O-CB 3.46Å; T767-C771 PolarHBondContact O-N 3.35Å; T767-C771 PolarHBondContact O-SG 3.14Å; C771-R773 PolarHBondContact O-N 2.69Å; C771-L774 PolarHBondContact O-N 3.24Å; C771-A775 VanDerWaalsContact O-CB 3.3Å; C771-A775 WeakPolarHBondContact O-CB 3.09Å; C771-A775 PolarHBondContact O-N 3.27Å
772	T	81.9	Confident	82.8	Confident	80 Å²	80	43 Å²	43	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-42.8	175.8	-58.2	0	0	0	0	111.6	G768 Q769 I770 A775 T776	G768-T772 WeakPolarHBondContact O-CB 3.16Å; G768-T772 PolarHBondContact O-N 3.33Å; G768-T772 PolarHBondContact O-OG1 2.98Å; Q769-T772 PolarHBondContact O-N 3.37Å; I770-T772 VanDerWaalsContact C-N 3.29Å; I770-T772 PolarHBondContact O-N 3Å; T772-A775 PolarHBondContact O-N 3.19Å; T772-T776 HydrophobicContact CG2-CG2 4.37Å; T772-T776 WeakPolarHBondContact O-CB 3.49Å; T772-T776 PolarHBondContact O-N 2.91Å; T772-T776 PolarHBondContact O-OG1 2.93Å
773	R	84.6	Confident	82	Confident	57 Å²	57	40 Å²	40	22%	0.215	24%	0.24	C	C	.	.	I	π-helix	trans	-64	-43.7	176.4	-69.1	-176.8	-173.4	173.8	8.2	111.8	Q769 I770 C771 A775 D777 V778 M967	Q769-R773 WeakPolarHBondContact O-CG 3.32Å; Q769-R773 PolarHBondContact O-N 3.15Å; I770-R773 PolarHBondContact O-N 3.05Å; I770-R773 VanDerWaalsContact O-N 3.15Å; C771-R773 PolarHBondContact O-N 2.69Å; R773-A775 VanDerWaalsContact C-N 3.3Å; R773-A775 PolarHBondContact O-N 3.34Å; R773-D777 WeakPolarHBondContact O-CB 3.38Å; R773-D777 PolarHBondContact O-N 2.9Å; R773-V778 PolarHBondContact O-N 3.37Å; R773-M967 PolarHBondContact NH1-SD 2.9Å
774	L	86	Confident	81.3	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	21%	0.209	C	C	.	.	I	π-helix	trans	-60.8	-38.3	174.9	-85.3	161.5	0	0	0	112.9	A250 I254 R745 L748 L749 L752 I770 C771	A250-L774 HydrophobicContact CB-CD1 4.3Å; I254-L774 HydrophobicContact CD1-CD1 4.16Å; R745-L774 HydrophobicContact CB-CD2 4.39Å; R745-L774 HydrophobicContact CG-CD2 4.3Å; R745-L774 PolarHBondContact NE-O 2.77Å; L748-L774 HydrophobicContact CB-CD2 4.28Å; L748-L774 HydrophobicContact CD2-CD2 3.73Å; L748-L774 HydrophobicContact CD2-CG 3.94Å; L748-L774 HydrophobicContact CG-CD2 4.11Å; L749-L774 HydrophobicContact CD1-CD1 4.43Å; L752-L774 HydrophobicContact CD1-CD1 4.25Å; I770-L774 HydrophobicContact CG2-CD1 4.2Å; I770-L774 PolarHBondContact O-N 3.47Å; C771-L774 PolarHBondContact O-N 3.24Å
775	A	83.8	Confident	80.5	Confident	29 Å²	29	34.2 Å²	34.2	24%	0.24	20%	0.198	C	C	.	.	I	π-helix	trans	-77.4	-42.1	-178.2	0	0	0	0	0	113.3	F243 C771 T772 R773 P779	F243-A775 HydrophobicContact CE1-CB 3.66Å; F243-A775 HydrophobicContact CZ-CB 4.04Å; C771-A775 VanDerWaalsContact O-CB 3.3Å; C771-A775 WeakPolarHBondContact O-CB 3.09Å; C771-A775 PolarHBondContact O-N 3.27Å; T772-A775 PolarHBondContact O-N 3.19Å; R773-A775 VanDerWaalsContact C-N 3.3Å; R773-A775 PolarHBondContact O-N 3.34Å; A775-P779 WeakPolarHBondContact O-CD 3.45Å; A775-P779 VanDerWaalsContact O-CG 3.31Å; A775-P779 WeakPolarHBondContact O-CG 3.18Å
776	T	82.2	Confident	79.2	Confident	66 Å²	66	37.4 Å²	37.4	41%	0.405	21%	0.209	S	C	.	.	I	π-helix	trans	-109.8	-45.2	-167.7	63.7	0	0	0	0	113.8	T772 P779 N780	T772-T776 HydrophobicContact CG2-CG2 4.37Å; T772-T776 WeakPolarHBondContact O-CB 3.49Å; T772-T776 PolarHBondContact O-N 2.91Å; T772-T776 PolarHBondContact O-OG1 2.93Å; T776-P779 WeakPolarHBondContact O-CD 3.28Å; T776-N780 PolarHBondContact O-N 3.18Å; T776-N780 PolarHBondContact O-ND2 3.05Å; T776-N780 PolarHBondContact O-OD1 2.74Å
777	D	85.3	Confident	77.6	Confident	30 Å²	30	37.4 Å²	37.4	16%	0.16	21%	0.208	C	C	.	.	I	π-helix	trans	-71.2	-43.8	-175.4	-80.6	-22	0	0	0	111.8	R773 N780 I781 S960 V964	R773-D777 WeakPolarHBondContact O-CB 3.38Å; R773-D777 PolarHBondContact O-N 2.9Å; D777-N780 WeakPolarHBondContact O-CB 3.37Å; D777-N780 PolarHBondContact O-N 3.15Å; D777-N780 VanDerWaalsContact O-N 3.12Å; D777-I781 WeakPolarHBondContact O-CG1 3.45Å; D777-I781 PolarHBondContact O-N 2.82Å; D777-S960 WeakPolarHBondContact O-CB 3.1Å; D777-S960 WeakPolarHBondContact OD1-CB 3.47Å; D777-S960 PolarHBondContact OD1-OG 3.45Å; D777-V964 HydrophobicContact CB-CG2 3.91Å
778	V	87.2	Confident	76	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-47.1	-177.6	-173.2	0	0	0	0	112.2	T741 L744 R745 L748 R773 N780 I781 V964	T741-V778 HydrophobicContact CG2-CG1 4.18Å; L744-V778 HydrophobicContact CB-CG1 3.53Å; L744-V778 HydrophobicContact CD1-CG1 4.22Å; R745-V778 HydrophobicContact CG-CB 4.1Å; R745-V778 HydrophobicContact CG-CG1 3.86Å; R745-V778 HydrophobicContact CG-CG2 4.27Å; L748-V778 HydrophobicContact CD2-CG2 4.08Å; R773-V778 PolarHBondContact O-N 3.37Å; V778-N780 VanDerWaalsContact C-N 3.31Å; V778-N780 PolarHBondContact O-N 3.28Å; V778-I781 WeakPolarHBondContact O-CB 3.33Å; V778-I781 PolarHBondContact O-N 3.42Å; V778-V964 HydrophobicContact CG2-CG1 4.32Å; V778-V964 HydrophobicContact CG2-CG2 3.96Å
779	P	83.3	Confident	74.6	Confident	24 Å²	24	38.1 Å²	38.1	16%	0.156	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-28.8	174.5	-25.6	37.6	0	0	0	114.4	T741 A775 T776 I781 R782	T741-P779 HydrophobicContact CG2-CG 4.33Å; A775-P779 WeakPolarHBondContact O-CD 3.45Å; A775-P779 VanDerWaalsContact O-CG 3.31Å; A775-P779 WeakPolarHBondContact O-CG 3.18Å; T776-P779 WeakPolarHBondContact O-CD 3.28Å; P779-I781 PolarHBondContact O-N 2.91Å; P779-R782 WeakPolarHBondContact O-CB 3.49Å; P779-R782 VanDerWaalsContact O-CD 3.26Å; P779-R782 WeakPolarHBondContact O-CD 3.45Å; P779-R782 WeakPolarHBondContact O-CG 3.3Å; P779-R782 PolarHBondContact O-N 3.04Å
780	N	82.7	Confident	73.2	Confident	36 Å²	36	37.1 Å²	37.1	19%	0.193	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-31.4	177.1	-67.7	-32.8	0	0	0	111.5	T776 D777 V778 R782 A783 K956 A957 S960	T776-N780 PolarHBondContact O-N 3.18Å; T776-N780 PolarHBondContact O-ND2 3.05Å; T776-N780 PolarHBondContact O-OD1 2.74Å; D777-N780 WeakPolarHBondContact O-CB 3.37Å; D777-N780 PolarHBondContact O-N 3.15Å; D777-N780 VanDerWaalsContact O-N 3.12Å; V778-N780 VanDerWaalsContact C-N 3.31Å; V778-N780 PolarHBondContact O-N 3.28Å; N780-R782 PolarHBondContact O-N 3.41Å; N780-R782 VanDerWaalsContact O-N 3.15Å; N780-A783 WeakPolarHBondContact O-CB 3.36Å; N780-A783 PolarHBondContact O-N 3.49Å; N780-K956 WeakPolarHBondContact ND2-CE 3.35Å; N780-K956 PolarHBondContact OD1-NZ 3.41Å; N780-A957 WeakPolarHBondContact O-CB 3.36Å; N780-S960 PolarHBondContact ND2-OG 3.35Å
781	I	82.6	Confident	71.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.9	-25.9	-179.3	-59.9	169.5	0	0	0	111.9	I674 L740 L744 D777 V778 P779 A783 V784 A961 V964	I674-I781 HydrophobicContact CG2-CG2 3.63Å; L740-I781 HydrophobicContact CD2-CG2 4.36Å; L744-I781 HydrophobicContact CD1-CB 4.44Å; L744-I781 HydrophobicContact CD1-CD1 3.84Å; L744-I781 HydrophobicContact CD1-CG2 4.15Å; D777-I781 WeakPolarHBondContact O-CG1 3.45Å; D777-I781 PolarHBondContact O-N 2.82Å; V778-I781 WeakPolarHBondContact O-CB 3.33Å; V778-I781 PolarHBondContact O-N 3.42Å; P779-I781 PolarHBondContact O-N 2.91Å; I781-A783 PolarHBondContact O-N 2.77Å; I781-A783 VanDerWaalsContact O-N 3.15Å; I781-V784 WeakPolarHBondContact O-CG2 3.42Å; I781-V784 PolarHBondContact O-N 3.4Å; I781-A961 HydrophobicContact CD1-CB 4.14Å; I781-A961 HydrophobicContact CG1-CB 4.01Å; I781-A961 HydrophobicContact CG2-CB 4.47Å; I781-V964 HydrophobicContact CD1-CB 4.01Å; I781-V964 HydrophobicContact CD1-CG1 4.17Å; I781-V964 HydrophobicContact CD1-CG2 4.11Å
782	R	75.9	Confident	70.3	Confident	98 Å²	98	48.1 Å²	48.1	37%	0.37	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.3	-24.7	179.1	85.5	-165.7	173.3	174.6	-5.4	113.5	P779 N780 V784 N785	P779-R782 WeakPolarHBondContact O-CB 3.49Å; P779-R782 VanDerWaalsContact O-CD 3.26Å; P779-R782 WeakPolarHBondContact O-CD 3.45Å; P779-R782 WeakPolarHBondContact O-CG 3.3Å; P779-R782 PolarHBondContact O-N 3.04Å; N780-R782 PolarHBondContact O-N 3.41Å; N780-R782 VanDerWaalsContact O-N 3.15Å; R782-V784 PolarHBondContact O-N 3.21Å; R782-V784 VanDerWaalsContact O-N 3.15Å; R782-N785 PolarHBondContact O-N 3.36Å; R782-N785 VanDerWaalsContact O-N 3.17Å
783	A	63.9	Low	69.4	Low	25 Å²	25	47.4 Å²	47.4	21%	0.207	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.4	-177.8	0	0	0	0	0	113	N780 I781 N785 D953 A957	N780-A783 WeakPolarHBondContact O-CB 3.36Å; N780-A783 PolarHBondContact O-N 3.49Å; I781-A783 PolarHBondContact O-N 2.77Å; I781-A783 VanDerWaalsContact O-N 3.15Å; A783-N785 PolarHBondContact O-N 3.45Å; A783-D953 HydrophobicContact CB-CB 4.03Å; A783-A957 HydrophobicContact CB-CB 4.22Å
784	V	60.4	Low	68.3	Low	4 Å²	4	44.9 Å²	44.9	2%	0.024	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-68.6	-20.7	178.1	-176.4	0	0	0	0	112.5	F671 I674 I781 R782 Y786 A957	F671-V784 HydrophobicContact CD2-CG1 3.36Å; F671-V784 HydrophobicContact CE2-CB 4.49Å; F671-V784 HydrophobicContact CE2-CG1 3.21Å; F671-V784 HydrophobicContact CG-CG1 4.4Å; F671-V784 HydrophobicContact CZ-CG1 4.14Å; I674-V784 HydrophobicContact CB-CG1 4.43Å; I674-V784 HydrophobicContact CD1-CG1 4.44Å; I674-V784 HydrophobicContact CD1-CG2 4.06Å; I674-V784 HydrophobicContact CG2-CB 4.3Å; I674-V784 HydrophobicContact CG2-CG1 4.19Å; I674-V784 HydrophobicContact CG2-CG2 4.47Å; I781-V784 WeakPolarHBondContact O-CG2 3.42Å; I781-V784 PolarHBondContact O-N 3.4Å; R782-V784 PolarHBondContact O-N 3.21Å; R782-V784 VanDerWaalsContact O-N 3.15Å; V784-Y786 VanDerWaalsContact C-N 3.32Å; V784-Y786 PolarHBondContact O-N 2.97Å; V784-A957 HydrophobicContact CG2-CB 3.59Å
785	N	57.9	Low	67.4	Low	9 Å²	9	47.1 Å²	47.1	5%	0.048	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-81.2	2.1	-172.8	-72	-26	0	0	0	115.2	F733 R782 A783 P787	F733-N785 HydrophobicContact CD1-CB 4.22Å; F733-N785 WeakPolarHBondContact CD1-O 3.31Å; F733-N785 WeakPolarHBondContact CE1-O 3.48Å; R782-N785 PolarHBondContact O-N 3.36Å; R782-N785 VanDerWaalsContact O-N 3.17Å; A783-N785 PolarHBondContact O-N 3.45Å; N785-P787 WeakPolarHBondContact O-CD 3.48Å
786	Y	59.6	Low	66.8	Low	106 Å²	106	50.1 Å²	50.1	42%	0.416	25%	0.252	S	S	.	.			trans	-101.2	94.4	179.5	-61.1	-77.5	0	0	0	111.1	F733 V784 N788	F733-Y786 HydrophobicContact CB-CE1 4.18Å; V784-Y786 VanDerWaalsContact C-N 3.32Å; V784-Y786 PolarHBondContact O-N 2.97Å; Y786-N788 PolarHBondContact O-N 2.65Å
787	P	51.2	Low	66.2	Low	45 Å²	45	48.8 Å²	48.8	29%	0.292	24%	0.242	S	C	.	.			trans	-73.2	112.6	174.8	28.3	-32.3	0	0	0	109.8	C692 F733 N785 V789	C692-P787 PolarHBondContact SG-O 3.48Å; F733-P787 HydrophobicContact CE2-CG 4.33Å; F733-P787 VanDerWaalsContact CZ-CD 3.47Å; F733-P787 HydrophobicContact CZ-CG 3.76Å; N785-P787 WeakPolarHBondContact O-CD 3.48Å; P787-V789 HydrophobicContact CB-CG2 4.2Å; P787-V789 PolarHBondContact O-N 3.18Å
788	N	51.4	Low	65.3	Low	75 Å²	75	47.7 Å²	47.7	40%	0.401	24%	0.237	S	C	.	.			trans	-73.5	105.2	170.9	-75.2	-36.2	0	0	0	109.8	Y786 A947	Y786-N788 PolarHBondContact O-N 2.65Å; N788-A947 HydrophobicContact CB-CB 4.37Å
789	V	50.3	Low	64.9	Low	23 Å²	23	51.5 Å²	51.5	14%	0.139	25%	0.254	C	S	.	.			trans	-120.4	43.9	177	-156	0	0	0	0	112.4	L693 P787 R792	L693-V789 HydrophobicContact CD2-CB 3.94Å; L693-V789 HydrophobicContact CD2-CG1 3.47Å; L693-V789 VanDerWaalsContact CD2-CG1 3.47Å; L693-V789 HydrophobicContact CD2-CG2 4.29Å; P787-V789 HydrophobicContact CB-CG2 4.2Å; P787-V789 PolarHBondContact O-N 3.18Å; V789-R792 VanDerWaalsContact CG1-NH2 3.28Å
790	F	53.2	Low	64.6	Low	56 Å²	56	55.6 Å²	55.6	25%	0.246	28%	0.278	C	S	.	.			trans	-86.1	-26.3	-180	-63.5	-78.4	0	0	0	113.4	G696	G696-F790 VanDerWaalsContact CA-CD1 3.5Å
791	I	53.8	Low	64	Low	81 Å²	81	57.4 Å²	57.4	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-78.5	-35.8	-164.4	-58.2	173.2	0	0	0	113.1	H793 V795 M944	I791-H793 PolarHBondContact O-N 3.3Å; I791-V795 HydrophobicContact CG2-CG2 4.42Å; I791-M944 HydrophobicContact CD1-CE 3.93Å; I791-M944 HydrophobicContact CD1-CG 4.02Å; I791-M944 HydrophobicContact CD1-SD 4.24Å; I791-M944 HydrophobicContact CG1-CE 4.39Å; I791-M944 HydrophobicContact CG1-CG 3.73Å; I791-M944 HydrophobicContact CG1-SD 4.05Å; I791-M944 HydrophobicContact CG2-SD 4.46Å
792	R	59.3	Low	63.7	Low	163 Å²	163	57.9 Å²	57.9	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-67.1	-39.2	-166.5	-66.9	-169.3	-63.2	-147.6	5	113.9	V789 V796	V789-R792 VanDerWaalsContact CG1-NH2 3.28Å; R792-V796 WeakPolarHBondContact O-CG2 3.15Å
793	H	62.1	Low	64	Low	64 Å²	64	60.6 Å²	60.6	30%	0.296	30%	0.299	S	S	.	.	H	α-helix	trans	-78.5	-31.7	-173.3	-58.9	99.6	0	0	0	113.1	T697 I791 I797	T697-H793 HydrophobicContact CG2-CB 4.23Å; I791-H793 PolarHBondContact O-N 3.3Å; H793-I797 WeakPolarHBondContact O-CG1 3.16Å; H793-I797 PolarHBondContact O-N 2.91Å
794	A	61.6	Low	65.2	Low	4 Å²	4	62.5 Å²	62.5	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-44.5	179.9	0	0	0	0	0	112.3	P700 I797 A798 C940	P700-A794 HydrophobicContact CB-CB 4.38Å; P700-A794 HydrophobicContact CG-CB 3.71Å; A794-I797 PolarHBondContact O-N 3.09Å; A794-A798 WeakPolarHBondContact O-CB 3.27Å; A794-A798 PolarHBondContact O-N 3.37Å; A794-C940 HydrophobicContact CB-CB 3.61Å; A794-C940 VanDerWaalsContact CB-SG 3.51Å
795	V	66.6	Low	66.2	Low	50 Å²	50	62.3 Å²	62.3	30%	0.303	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-44.4	180	178.5	0	0	0	0	110.4	I791 I797 A798 F799	I791-V795 HydrophobicContact CG2-CG2 4.42Å; V795-I797 PolarHBondContact O-N 3.37Å; V795-A798 WeakPolarHBondContact O-CB 3.37Å; V795-A798 PolarHBondContact O-N 3.27Å; V795-A798 VanDerWaalsContact O-N 3.16Å; V795-F799 HydrophobicContact CG1-CD2 3.65Å; V795-F799 HydrophobicContact CG1-CE2 3.62Å; V795-F799 WeakPolarHBondContact O-CD2 3.42Å; V795-F799 PolarHBondContact O-N 2.92Å
796	V	72.7	Confident	67.3	Low	93 Å²	93	61.9 Å²	61.9	56%	0.564	30%	0.3	S	S	*	.	H	α-helix	trans	-59.2	-47.1	178.4	174.6	0	0	0	0	111.4	R792 A798 F799 V800	R792-V796 WeakPolarHBondContact O-CG2 3.15Å; V796-A798 VanDerWaalsContact C-N 3.31Å; V796-A798 PolarHBondContact O-N 2.91Å; V796-F799 PolarHBondContact O-N 3.17Å; V796-V800 WeakPolarHBondContact O-CG2 3.42Å; V796-V800 PolarHBondContact O-N 3.26Å
797	I	68	Low	68.4	Low	37 Å²	37	60.8 Å²	60.8	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-42.4	177.3	-71.3	163.6	0	0	0	110.7	P700 L704 H793 A794 V795 F799 V800 F801	P700-I797 HydrophobicContact CB-CD1 3.44Å; P700-I797 VanDerWaalsContact CB-CD1 3.44Å; L704-I797 HydrophobicContact CD1-CD1 4.32Å; L704-I797 HydrophobicContact CD1-CG2 4.18Å; L704-I797 HydrophobicContact CD2-CG2 3.79Å; L704-I797 HydrophobicContact CG-CG2 4.11Å; H793-I797 WeakPolarHBondContact O-CG1 3.16Å; H793-I797 PolarHBondContact O-N 2.91Å; A794-I797 PolarHBondContact O-N 3.09Å; V795-I797 PolarHBondContact O-N 3.37Å; I797-F799 PolarHBondContact O-N 2.79Å; I797-V800 PolarHBondContact O-N 2.87Å; I797-F801 HydrophobicContact CG2-CD2 4.16Å; I797-F801 HydrophobicContact CG2-CE2 4.13Å; I797-F801 WeakPolarHBondContact O-CD2 3.39Å
798	A	67.7	Low	70	Confident	8 Å²	8	60.6 Å²	60.6	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-44.4	177.6	0	0	0	0	0	113.1	A794 V795 V796 V800 G802 A806 F933	A794-A798 WeakPolarHBondContact O-CB 3.27Å; A794-A798 PolarHBondContact O-N 3.37Å; V795-A798 WeakPolarHBondContact O-CB 3.37Å; V795-A798 PolarHBondContact O-N 3.27Å; V795-A798 VanDerWaalsContact O-N 3.16Å; V796-A798 VanDerWaalsContact C-N 3.31Å; V796-A798 PolarHBondContact O-N 2.91Å; A798-V800 VanDerWaalsContact C-N 3.34Å; A798-V800 PolarHBondContact O-N 3.35Å; A798-G802 PolarHBondContact O-N 2.63Å; A798-A806 HydrophobicContact CB-CB 4.29Å; A798-F933 HydrophobicContact CB-CD2 3.79Å; A798-F933 HydrophobicContact CB-CE2 3.42Å; A798-F933 VanDerWaalsContact CB-CE2 3.42Å; A798-F933 HydrophobicContact CB-CZ 4.47Å
799	F	77.9	Confident	71.2	Confident	81 Å²	81	57 Å²	57	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-29	-179.8	-88.4	-86.2	0	0	0	113.5	V795 V796 I797 W803 A806	V795-F799 HydrophobicContact CG1-CD2 3.65Å; V795-F799 HydrophobicContact CG1-CE2 3.62Å; V795-F799 WeakPolarHBondContact O-CD2 3.42Å; V795-F799 PolarHBondContact O-N 2.92Å; V796-F799 PolarHBondContact O-N 3.17Å; I797-F799 PolarHBondContact O-N 2.79Å; F799-W803 HydrophobicContact CD1-CB 4.24Å; F799-A806 HydrophobicContact CD1-CB 4.14Å; F799-A806 HydrophobicContact CD2-CB 4.13Å; F799-A806 HydrophobicContact CE1-CB 4.29Å; F799-A806 HydrophobicContact CE2-CB 4.28Å; F799-A806 HydrophobicContact CG-CB 4.06Å; F799-A806 HydrophobicContact CZ-CB 4.36Å
800	V	78	Confident	72.5	Confident	110 Å²	110	58.3 Å²	58.3	67%	0.667	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-40.7	-179.3	170	0	0	0	0	112.5	V796 I797 A798	V796-V800 WeakPolarHBondContact O-CG2 3.42Å; V796-V800 PolarHBondContact O-N 3.26Å; I797-V800 PolarHBondContact O-N 2.87Å; A798-V800 VanDerWaalsContact C-N 3.34Å; A798-V800 PolarHBondContact O-N 3.35Å
801	F	70	Confident	73.9	Confident	74 Å²	74	61 Å²	61	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-87	-21.8	-175.1	-72.3	-79.4	0	0	0	114.3	L704 I797	L704-F801 HydrophobicContact CD2-CD2 4.05Å; L704-F801 HydrophobicContact CD2-CE2 3.34Å; L704-F801 HydrophobicContact CD2-CZ 3.75Å; I797-F801 HydrophobicContact CG2-CD2 4.16Å; I797-F801 HydrophobicContact CG2-CE2 4.13Å; I797-F801 WeakPolarHBondContact O-CD2 3.39Å
802	G	75	Confident	75.2	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	29%	0.292	C	S	.	.			trans	-172.1	80	-176.9	0	0	0	0	0	112.8	A798 K804 L805 A806	A798-G802 PolarHBondContact O-N 2.63Å; G802-K804 VanDerWaalsContact C-N 3.29Å; G802-K804 PolarHBondContact O-N 2.93Å; G802-L805 PolarHBondContact O-N 3.29Å; G802-A806 WeakPolarHBondContact O-CB 3.36Å; G802-A806 PolarHBondContact O-N 3.17Å
803	W	83.7	Confident	76	Confident	154 Å²	154	52.1 Å²	52.1	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-60	-33.9	-173.2	74.6	-92.7	0	0	0	113.8	F799 A806 L807	F799-W803 HydrophobicContact CD1-CB 4.24Å; W803-A806 PolarHBondContact O-N 3.48Å; W803-L807 WeakPolarHBondContact O-CB 3.44Å; W803-L807 PolarHBondContact O-N 2.98Å
804	K	88.2	Confident	76.9	Confident	65 Å²	65	52.3 Å²	52.3	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-48.5	178.2	-65	179.7	-173.9	167.4	0	111.5	G802 L807 V808 Y915 L919 D924	G802-K804 VanDerWaalsContact C-N 3.29Å; G802-K804 PolarHBondContact O-N 2.93Å; K804-L807 PolarHBondContact O-N 3.26Å; K804-V808 PolarHBondContact O-N 2.92Å; K804-Y915 HydrophobicContact CB-CE1 4.41Å; K804-L919 HydrophobicContact CB-CD1 4.27Å; K804-L919 HydrophobicContact CD-CD2 4.24Å; K804-D924 VanDerWaalsContact CD-OD2 3.28Å; K804-D924 WeakPolarHBondContact CD-OD2 3.28Å; K804-D924 WeakPolarHBondContact CE-OD2 3.46Å; K804-D924 IonicContact NZ-OD1 3.55Å; K804-D924 PolarHBondContact NZ-OD1 2.92Å; K804-D924 IonicContact NZ-OD2 2.66Å; K804-D924 PolarHBondContact NZ-OD2 3.06Å
805	L	82.7	Confident	77.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-37.6	177.1	-176.2	60.7	0	0	0	111.3	G802 L807 V808 V809 Y915 L919 M925 V930 F933	G802-L805 PolarHBondContact O-N 3.29Å; L805-L807 VanDerWaalsContact C-N 3.33Å; L805-L807 PolarHBondContact O-N 3.34Å; L805-V808 PolarHBondContact O-N 3Å; L805-V809 HydrophobicContact CD1-CG2 4.33Å; L805-V809 PolarHBondContact O-N 2.66Å; L805-Y915 HydrophobicContact CD1-CD1 3.75Å; L805-L919 HydrophobicContact CB-CD1 4.13Å; L805-M925 HydrophobicContact CB-SD 4.46Å; L805-M925 HydrophobicContact CD2-CE 3.82Å; L805-V930 HydrophobicContact CD2-CG1 4.29Å; L805-F933 HydrophobicContact CD2-CB 4.02Å; L805-F933 HydrophobicContact CD2-CD1 3.38Å; L805-F933 HydrophobicContact CD2-CE1 4.13Å; L805-F933 HydrophobicContact CD2-CG 3.72Å; L805-F933 HydrophobicContact CG-CD1 3.54Å; L805-F933 HydrophobicContact CG-CE1 3.76Å; L805-F933 HydrophobicContact CG-CG 4Å; L805-F933 HydrophobicContact CG-CZ 4.38Å
806	A	80.2	Confident	78.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-40.9	176.1	0	0	0	0	0	113.2	A798 F799 G802 W803 T810 F933	A798-A806 HydrophobicContact CB-CB 4.29Å; F799-A806 HydrophobicContact CD1-CB 4.14Å; F799-A806 HydrophobicContact CD2-CB 4.13Å; F799-A806 HydrophobicContact CE1-CB 4.29Å; F799-A806 HydrophobicContact CE2-CB 4.28Å; F799-A806 HydrophobicContact CG-CB 4.06Å; F799-A806 HydrophobicContact CZ-CB 4.36Å; G802-A806 WeakPolarHBondContact O-CB 3.36Å; G802-A806 PolarHBondContact O-N 3.17Å; W803-A806 PolarHBondContact O-N 3.48Å; A806-T810 VanDerWaalsContact O-CB 3.23Å; A806-T810 WeakPolarHBondContact O-CB 3.28Å; A806-T810 PolarHBondContact O-N 3.42Å; A806-T810 PolarHBondContact O-OG1 3.19Å; A806-F933 HydrophobicContact CB-CD2 4.28Å; A806-F933 HydrophobicContact CB-CE2 3.57Å; A806-F933 HydrophobicContact CB-CZ 4.34Å
807	L	83.6	Confident	78.7	Confident	82 Å²	82	53.1 Å²	53.1	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-48.5	-179.8	-167	142.9	0	0	0	111.8	W803 K804 L805 V809 T810 I811	W803-L807 WeakPolarHBondContact O-CB 3.44Å; W803-L807 PolarHBondContact O-N 2.98Å; K804-L807 PolarHBondContact O-N 3.26Å; L805-L807 VanDerWaalsContact C-N 3.33Å; L805-L807 PolarHBondContact O-N 3.34Å; L807-V809 VanDerWaalsContact C-N 3.27Å; L807-V809 PolarHBondContact O-N 3.01Å; L807-T810 PolarHBondContact O-N 3.05Å; L807-I811 HydrophobicContact CD2-CD1 3.77Å; L807-I811 WeakPolarHBondContact O-CG1 3.45Å; L807-I811 PolarHBondContact O-N 3.02Å
808	V	83.8	Confident	79.4	Confident	41 Å²	41	54.8 Å²	54.8	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-44.9	178.7	172.7	0	0	0	0	111.2	K804 L805 I911 Y915	K804-V808 PolarHBondContact O-N 2.92Å; L805-V808 PolarHBondContact O-N 3Å; V808-I911 HydrophobicContact CG1-CG2 3.98Å; V808-Y915 HydrophobicContact CB-CD1 4.38Å; V808-Y915 HydrophobicContact CG2-CD1 3.88Å; V808-Y915 HydrophobicContact CG2-CE1 3.7Å
809	V	77	Confident	80.1	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-80.6	-33.8	-173.6	167.7	0	0	0	0	112.3	L805 L807 I811 L812 V813 A912 F933 L937	L805-V809 HydrophobicContact CD1-CG2 4.33Å; L805-V809 PolarHBondContact O-N 2.66Å; L807-V809 VanDerWaalsContact C-N 3.27Å; L807-V809 PolarHBondContact O-N 3.01Å; V809-I811 PolarHBondContact O-N 3.26Å; V809-L812 WeakPolarHBondContact O-CB 3.16Å; V809-L812 PolarHBondContact O-N 3.48Å; V809-V813 PolarHBondContact O-N 3.41Å; V809-A912 HydrophobicContact CG2-CB 3.93Å; V809-F933 HydrophobicContact CB-CE1 3.78Å; V809-F933 HydrophobicContact CB-CZ 3.63Å; V809-F933 HydrophobicContact CG1-CE1 3.82Å; V809-F933 HydrophobicContact CG1-CZ 3.73Å; V809-F933 HydrophobicContact CG2-CE1 3.71Å; V809-F933 HydrophobicContact CG2-CZ 4.07Å; V809-L937 HydrophobicContact CB-CD2 4.49Å; V809-L937 HydrophobicContact CG1-CB 4.44Å; V809-L937 HydrophobicContact CG1-CD1 3.25Å; V809-L937 HydrophobicContact CG1-CD2 3.09Å; V809-L937 HydrophobicContact CG1-CG 3.63Å
810	T	77.3	Confident	80.1	Confident	50 Å²	50	52.5 Å²	52.5	31%	0.307	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-33.1	173.8	-58.6	0	0	0	0	111.1	A806 L807 L812 V813 P814	A806-T810 VanDerWaalsContact O-CB 3.23Å; A806-T810 WeakPolarHBondContact O-CB 3.28Å; A806-T810 PolarHBondContact O-N 3.42Å; A806-T810 PolarHBondContact O-OG1 3.19Å; L807-T810 PolarHBondContact O-N 3.05Å; T810-L812 PolarHBondContact O-N 3.39Å; T810-V813 PolarHBondContact O-N 3.13Å; T810-P814 WeakPolarHBondContact O-CD 3.41Å
811	I	82.7	Confident	80.1	Confident	111 Å²	111	52.4 Å²	52.4	57%	0.569	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-28.6	173.6	-68.4	165.7	0	0	0	112	L807 V809 P814	L807-I811 HydrophobicContact CD2-CD1 3.77Å; L807-I811 WeakPolarHBondContact O-CG1 3.45Å; L807-I811 PolarHBondContact O-N 3.02Å; V809-I811 PolarHBondContact O-N 3.26Å; I811-P814 WeakPolarHBondContact O-CD 3.28Å
812	L	80.4	Confident	80.8	Confident	35 Å²	35	53 Å²	53	18%	0.183	28%	0.278	C	S	.	.	H	α-helix	trans	-85.2	-24.4	-178.9	-61	172.3	0	0	0	113.4	V809 T810 V815 M816 M908 I911	V809-L812 WeakPolarHBondContact O-CB 3.16Å; V809-L812 PolarHBondContact O-N 3.48Å; T810-L812 PolarHBondContact O-N 3.39Å; L812-V815 WeakPolarHBondContact O-CB 3.23Å; L812-V815 PolarHBondContact O-N 2.73Å; L812-M816 PolarHBondContact O-N 2.89Å; L812-M908 HydrophobicContact CB-CG 3.88Å; L812-M908 HydrophobicContact CB-SD 3.67Å; L812-M908 HydrophobicContact CD1-CB 4.48Å; L812-M908 HydrophobicContact CD1-CG 4.11Å; L812-I911 HydrophobicContact CD1-CB 4.2Å; L812-I911 HydrophobicContact CD1-CD1 3.91Å; L812-I911 HydrophobicContact CD1-CG2 4.01Å; L812-I911 HydrophobicContact CD2-CD1 4.36Å
813	V	76.8	Confident	81.1	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-44.8	179.6	173	0	0	0	0	112.9	V809 T810 V815 M816 I817 L937 M944	V809-V813 PolarHBondContact O-N 3.41Å; T810-V813 PolarHBondContact O-N 3.13Å; V813-V815 PolarHBondContact O-N 2.61Å; V813-M816 HydrophobicContact CG1-CE 4.29Å; V813-M816 PolarHBondContact O-N 3Å; V813-I817 HydrophobicContact CG1-CD1 4.24Å; V813-I817 WeakPolarHBondContact O-CG1 3.1Å; V813-I817 PolarHBondContact O-N 2.9Å; V813-I817 VanDerWaalsContact O-N 3.13Å; V813-L937 HydrophobicContact CG2-CD1 3.9Å; V813-M944 HydrophobicContact CG1-CE 3.56Å; V813-M944 HydrophobicContact CG1-SD 3.85Å
814	P	80.5	Confident	80.7	Confident	68 Å²	68	48.3 Å²	48.3	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-56	-34.5	173.5	-28	34.6	0	0	0	114.3	T810 I811 M816 I817 C818	T810-P814 WeakPolarHBondContact O-CD 3.41Å; I811-P814 WeakPolarHBondContact O-CD 3.28Å; P814-M816 VanDerWaalsContact C-N 3.34Å; P814-M816 PolarHBondContact O-N 3.44Å; P814-I817 PolarHBondContact O-N 3.17Å; P814-C818 WeakPolarHBondContact O-CB 3.4Å; P814-C818 PolarHBondContact O-N 3.49Å; P814-C818 PolarHBondContact O-SG 3.45Å
815	V	84	Confident	80.4	Confident	61 Å²	61	50.8 Å²	50.8	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-43	179.2	-177.1	0	0	0	0	110.4	L812 V813 C818 S819 F900 V904	L812-V815 WeakPolarHBondContact O-CB 3.23Å; L812-V815 PolarHBondContact O-N 2.73Å; V813-V815 PolarHBondContact O-N 2.61Å; V815-C818 PolarHBondContact O-N 3.35Å; V815-S819 PolarHBondContact O-N 3Å; V815-S819 PolarHBondContact O-OG 3.23Å; V815-F900 HydrophobicContact CG1-CZ 4.35Å; V815-V904 HydrophobicContact CG1-CG2 4.06Å
816	M	78.4	Confident	80.3	Confident	21 Å²	21	52.2 Å²	52.2	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-39.8	175.1	178.4	-172.4	55.6	0	0	112.5	L812 V813 P814 S819 S820 V904 M908	L812-M816 PolarHBondContact O-N 2.89Å; V813-M816 HydrophobicContact CG1-CE 4.29Å; V813-M816 PolarHBondContact O-N 3Å; P814-M816 VanDerWaalsContact C-N 3.34Å; P814-M816 PolarHBondContact O-N 3.44Å; M816-S819 WeakPolarHBondContact CA-OG 3.18Å; M816-S819 PolarHBondContact O-N 3.28Å; M816-S819 PolarHBondContact O-OG 3.36Å; M816-S820 PolarHBondContact O-N 3.16Å; M816-S820 PolarHBondContact O-OG 3.48Å; M816-V904 HydrophobicContact CB-CG1 4.15Å; M816-V904 HydrophobicContact CG-CG1 4.18Å; M816-M908 HydrophobicContact CB-CE 3.77Å; M816-M908 HydrophobicContact CB-SD 4.36Å; M816-M908 HydrophobicContact CG-CE 4.06Å; M816-M908 HydrophobicContact SD-CE 3.73Å
817	I	76.5	Confident	80.1	Confident	81 Å²	81	56.8 Å²	56.8	42%	0.415	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-45.8	175.2	-59.2	170.1	0	0	0	109.9	V813 P814 S819 S820 Y821 M944	V813-I817 HydrophobicContact CG1-CD1 4.24Å; V813-I817 WeakPolarHBondContact O-CG1 3.1Å; V813-I817 PolarHBondContact O-N 2.9Å; V813-I817 VanDerWaalsContact O-N 3.13Å; P814-I817 PolarHBondContact O-N 3.17Å; I817-S819 PolarHBondContact O-N 3.44Å; I817-S820 PolarHBondContact O-N 3.48Å; I817-Y821 VanDerWaalsContact O-CB 3.25Å; I817-Y821 WeakPolarHBondContact O-CB 3.32Å; I817-Y821 PolarHBondContact O-N 3.27Å; I817-M944 HydrophobicContact CD1-CE 3.28Å; I817-M944 HydrophobicContact CG1-CE 3.67Å
818	C	82.7	Confident	79.6	Confident	73 Å²	73	56.9 Å²	56.9	49%	0.493	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-42	178.8	-80.7	0	0	0	0	112	P814 V815 Y821 L822	P814-C818 WeakPolarHBondContact O-CB 3.4Å; P814-C818 PolarHBondContact O-N 3.49Å; P814-C818 PolarHBondContact O-SG 3.45Å; V815-C818 PolarHBondContact O-N 3.35Å; C818-Y821 PolarHBondContact O-N 3.05Å; C818-L822 WeakPolarHBondContact O-CB 3.3Å; C818-L822 VanDerWaalsContact O-CG 3.23Å; C818-L822 WeakPolarHBondContact O-CG 3.38Å; C818-L822 PolarHBondContact O-N 3.29Å
819	S	83.3	Confident	79.3	Confident	1 Å²	1	62 Å²	62	1%	0.007	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-47.2	177.9	60.1	0	0	0	0	112.1	V815 M816 I817 Y821 L822 D823	V815-S819 PolarHBondContact O-N 3Å; V815-S819 PolarHBondContact O-OG 3.23Å; M816-S819 WeakPolarHBondContact CA-OG 3.18Å; M816-S819 PolarHBondContact O-N 3.28Å; M816-S819 PolarHBondContact O-OG 3.36Å; I817-S819 PolarHBondContact O-N 3.44Å; S819-Y821 VanDerWaalsContact C-N 3.35Å; S819-Y821 PolarHBondContact O-N 2.97Å; S819-L822 PolarHBondContact O-N 3.44Å; S819-D823 PolarHBondContact O-N 3.4Å; S819-D823 VanDerWaalsContact O-N 3.09Å
820	S	78.1	Confident	79.1	Confident	40 Å²	40	62.8 Å²	62.8	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-36.3	178.6	-59.2	0	0	0	0	112.1	M816 I817 M824	M816-S820 PolarHBondContact O-N 3.16Å; M816-S820 PolarHBondContact O-OG 3.48Å; I817-S820 PolarHBondContact O-N 3.48Å; S820-M824 PolarHBondContact O-N 2.96Å; S820-M824 VanDerWaalsContact O-N 3.15Å
821	Y	78.4	Confident	78.8	Confident	108 Å²	108	64.4 Å²	64.4	42%	0.424	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-42.5	175.3	176.4	-100.6	0	0	0	112.5	I817 C818 S819 M824 K825	I817-Y821 VanDerWaalsContact O-CB 3.25Å; I817-Y821 WeakPolarHBondContact O-CB 3.32Å; I817-Y821 PolarHBondContact O-N 3.27Å; C818-Y821 PolarHBondContact O-N 3.05Å; S819-Y821 VanDerWaalsContact C-N 3.35Å; S819-Y821 PolarHBondContact O-N 2.97Å; Y821-M824 HydrophobicContact CD2-CE 4.06Å; Y821-M824 HydrophobicContact CE2-CE 4.4Å; Y821-M824 PolarHBondContact O-N 3.26Å; Y821-K825 HydrophobicContact CE1-CD 3.86Å; Y821-K825 VanDerWaalsContact O-CB 3.27Å; Y821-K825 WeakPolarHBondContact O-CB 3.35Å; Y821-K825 PolarHBondContact O-N 2.85Å
822	L	82.9	Confident	78.2	Confident	85 Å²	85	68.1 Å²	68.1	45%	0.445	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.8	-77.2	169.6	0	0	0	111.3	C818 S819 K825 I826	C818-L822 WeakPolarHBondContact O-CB 3.3Å; C818-L822 VanDerWaalsContact O-CG 3.23Å; C818-L822 WeakPolarHBondContact O-CG 3.38Å; C818-L822 PolarHBondContact O-N 3.29Å; S819-L822 PolarHBondContact O-N 3.44Å; L822-K825 PolarHBondContact O-N 3.32Å; L822-I826 WeakPolarHBondContact O-CB 3.44Å; L822-I826 VanDerWaalsContact O-CG1 3.28Å; L822-I826 WeakPolarHBondContact O-CG1 3.37Å; L822-I826 PolarHBondContact O-N 2.79Å
823	D	81.6	Confident	77.7	Confident	27 Å²	27	69.7 Å²	69.7	14%	0.144	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-52	176.5	-178.4	41.4	0	0	0	111.4	S819 K825 I826 K827 Y894 S897	S819-D823 PolarHBondContact O-N 3.4Å; S819-D823 VanDerWaalsContact O-N 3.09Å; D823-K825 VanDerWaalsContact C-N 3.35Å; D823-K825 PolarHBondContact O-N 3.28Å; D823-I826 PolarHBondContact O-N 3.41Å; D823-K827 WeakPolarHBondContact O-CB 3.45Å; D823-K827 PolarHBondContact O-N 2.66Å; D823-Y894 WeakPolarHBondContact OD1-CD2 3.44Å; D823-Y894 VanDerWaalsContact OD1-CE2 3.24Å; D823-Y894 WeakPolarHBondContact OD1-CE2 3.34Å; D823-S897 WeakPolarHBondContact CA-OG 3.34Å; D823-S897 PolarHBondContact N-OG 3.36Å
824	M	76.8	Confident	77.3	Confident	39 Å²	39	69.5 Å²	69.5	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-43.7	176.5	-175.6	175	75.1	0	0	112.7	S820 Y821 K827 M828 I951 P952	S820-M824 PolarHBondContact O-N 2.96Å; S820-M824 VanDerWaalsContact O-N 3.15Å; Y821-M824 HydrophobicContact CD2-CE 4.06Å; Y821-M824 HydrophobicContact CE2-CE 4.4Å; Y821-M824 PolarHBondContact O-N 3.26Å; M824-K827 PolarHBondContact O-N 3.08Å; M824-M828 PolarHBondContact O-N 3.26Å; M824-I951 HydrophobicContact CE-CB 4.11Å; M824-I951 HydrophobicContact CE-CG2 3.97Å; M824-P952 HydrophobicContact CE-CG 4.16Å; M824-P952 HydrophobicContact CG-CG 4.29Å; M824-P952 VanDerWaalsContact SD-CD 3.55Å; M824-P952 HydrophobicContact SD-CG 3.28Å; M824-P952 WeakPolarHBondContact SD-CG 3.25Å
825	K	80.8	Confident	76.7	Confident	118 Å²	118	70.2 Å²	70.2	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-41.5	-179.1	-174.4	176.4	-178.4	176.6	0	112	Y821 L822 D823 R829	Y821-K825 HydrophobicContact CE1-CD 3.86Å; Y821-K825 VanDerWaalsContact O-CB 3.27Å; Y821-K825 WeakPolarHBondContact O-CB 3.35Å; Y821-K825 PolarHBondContact O-N 2.85Å; L822-K825 PolarHBondContact O-N 3.32Å; D823-K825 VanDerWaalsContact C-N 3.35Å; D823-K825 PolarHBondContact O-N 3.28Å; K825-R829 VanDerWaalsContact O-CB 3.28Å; K825-R829 WeakPolarHBondContact O-CB 3.28Å; K825-R829 PolarHBondContact O-N 3.32Å
826	I	81.8	Confident	76.1	Confident	31 Å²	31	74.8 Å²	74.8	16%	0.159	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-46.5	177.2	-71	166.8	0	0	0	109.8	L822 D823 M828 R829 N830	L822-I826 WeakPolarHBondContact O-CB 3.44Å; L822-I826 VanDerWaalsContact O-CG1 3.28Å; L822-I826 WeakPolarHBondContact O-CG1 3.37Å; L822-I826 PolarHBondContact O-N 2.79Å; D823-I826 PolarHBondContact O-N 3.41Å; I826-M828 PolarHBondContact O-N 2.88Å; I826-R829 PolarHBondContact O-N 3.3Å; I826-N830 VanDerWaalsContact O-CG 3.26Å; I826-N830 PolarHBondContact O-N 3.06Å; I826-N830 PolarHBondContact O-OD1 2.88Å
827	K	74.7	Confident	75.5	Confident	96 Å²	96	76.9 Å²	76.9	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-50.4	177.6	-176	173.9	177.1	177.7	0	112.4	D823 M824 R829 N830 Q831 Y894	D823-K827 WeakPolarHBondContact O-CB 3.45Å; D823-K827 PolarHBondContact O-N 2.66Å; M824-K827 PolarHBondContact O-N 3.08Å; K827-R829 VanDerWaalsContact C-N 3.34Å; K827-R829 PolarHBondContact O-N 3.46Å; K827-N830 PolarHBondContact O-N 3.26Å; K827-Q831 PolarHBondContact O-N 3.26Å; K827-Q831 VanDerWaalsContact O-N 3.15Å; K827-Y894 HydrophobicContact CB-CD2 4.49Å; K827-Y894 HydrophobicContact CB-CE2 4.32Å; K827-Y894 HydrophobicContact CD-CE2 4.32Å
828	M	73.3	Confident	75.4	Confident	83 Å²	83	75 Å²	75	41%	0.409	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177.5	-74.7	-161.9	158.1	0	0	113.2	M824 I826 R832 P952	M824-M828 PolarHBondContact O-N 3.26Å; I826-M828 PolarHBondContact O-N 2.88Å; M828-R832 PolarHBondContact O-N 2.8Å; M828-P952 HydrophobicContact CE-CB 3.68Å; M828-P952 HydrophobicContact CE-CG 3.98Å
829	R	77.5	Confident	75.1	Confident	150 Å²	150	76.1 Å²	76.1	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-65.8	-43.3	177.8	-174.3	-177.1	73.7	165.9	0	111.4	K825 I826 K827 R833	K825-R829 VanDerWaalsContact O-CB 3.28Å; K825-R829 WeakPolarHBondContact O-CB 3.28Å; K825-R829 PolarHBondContact O-N 3.32Å; I826-R829 PolarHBondContact O-N 3.3Å; K827-R829 VanDerWaalsContact C-N 3.34Å; K827-R829 PolarHBondContact O-N 3.46Å; R829-R833 WeakPolarHBondContact O-CB 3.4Å; R829-R833 PolarHBondContact O-N 3.29Å; R829-R833 VanDerWaalsContact O-N 3.15Å
830	N	72.2	Confident	74.9	Confident	17 Å²	17	79 Å²	79	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-46.4	179.7	-68.3	-4.4	0	0	0	110.3	I826 K827 R832 R833 D834 Q890	I826-N830 VanDerWaalsContact O-CG 3.26Å; I826-N830 PolarHBondContact O-N 3.06Å; I826-N830 PolarHBondContact O-OD1 2.88Å; K827-N830 PolarHBondContact O-N 3.26Å; N830-R832 PolarHBondContact O-N 3.28Å; N830-R833 PolarHBondContact O-N 2.74Å; N830-R833 VanDerWaalsContact O-N 3.16Å; N830-D834 VanDerWaalsContact O-CG 3.22Å; N830-D834 PolarHBondContact O-N 2.84Å; N830-Q890 PolarHBondContact OD1-OE1 3.4Å
831	Q	70.8	Confident	75.2	Confident	83 Å²	83	77.1 Å²	77.1	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-54.8	-53.6	177.4	-170	172.1	10.8	0	0	112.4	K827 R833 D834 D835	K827-Q831 PolarHBondContact O-N 3.26Å; K827-Q831 VanDerWaalsContact O-N 3.15Å; Q831-R833 VanDerWaalsContact C-N 3.26Å; Q831-R833 PolarHBondContact O-N 3.49Å; Q831-D834 PolarHBondContact O-N 2.81Å; Q831-D835 VanDerWaalsContact O-CG 3.22Å; Q831-D835 PolarHBondContact O-N 3.33Å
832	R	70	Confident	75.6	Confident	190 Å²	190	72.3 Å²	72.3	72%	0.717	33%	0.331	S	S	*	.	H	α-helix	trans	-60.1	-35.1	179.1	-72.1	-177.9	-177.5	175.7	1.4	113.8	M828 N830 K836	M828-R832 PolarHBondContact O-N 2.8Å; N830-R832 PolarHBondContact O-N 3.28Å; R832-K836 PolarHBondContact O-N 3.28Å
833	R	69.9	Low	75.7	Confident	68 Å²	68	71.4 Å²	71.4	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-70.9	-44.5	179.4	-172.8	-159.8	69.4	138.9	8.6	110.1	R829 N830 Q831 D835 K836 L837 Q890	R829-R833 WeakPolarHBondContact O-CB 3.4Å; R829-R833 PolarHBondContact O-N 3.29Å; R829-R833 VanDerWaalsContact O-N 3.15Å; N830-R833 PolarHBondContact O-N 2.74Å; N830-R833 VanDerWaalsContact O-N 3.16Å; Q831-R833 VanDerWaalsContact C-N 3.26Å; Q831-R833 PolarHBondContact O-N 3.49Å; R833-D835 VanDerWaalsContact C-N 3.34Å; R833-K836 PolarHBondContact O-N 3.23Å; R833-L837 HydrophobicContact CG-CD1 4.05Å; R833-L837 HydrophobicContact CG-CG 4.46Å; R833-L837 VanDerWaalsContact O-CG 3.29Å; R833-L837 WeakPolarHBondContact O-CG 3.42Å; R833-L837 PolarHBondContact O-N 2.66Å; R833-Q890 VanDerWaalsContact NH2-CD 3.31Å
834	D	69.1	Low	76.1	Confident	20 Å²	20	70.5 Å²	70.5	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-41.7	179.9	-64	-12.9	0	0	0	110.5	R184 N830 Q831 K836 L837 L838	R184-D834 IonicContact NH1-OD2 2.68Å; R184-D834 PolarHBondContact NH1-OD2 3Å; N830-D834 VanDerWaalsContact O-CG 3.22Å; N830-D834 PolarHBondContact O-N 2.84Å; Q831-D834 PolarHBondContact O-N 2.81Å; D834-K836 VanDerWaalsContact C-N 3.33Å; D834-K836 PolarHBondContact O-N 3.4Å; D834-L837 PolarHBondContact O-N 2.89Å; D834-L838 WeakPolarHBondContact O-CB 3.28Å; D834-L838 WeakPolarHBondContact O-CG 3.44Å; D834-L838 PolarHBondContact O-N 3.45Å
835	D	68.7	Low	76.8	Confident	83 Å²	83	68.6 Å²	68.6	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-56.3	-46.3	173.5	-63.6	-21.9	0	0	0	111.5	Q831 R833 L837 L838 E839	Q831-D835 VanDerWaalsContact O-CG 3.22Å; Q831-D835 PolarHBondContact O-N 3.33Å; R833-D835 VanDerWaalsContact C-N 3.34Å; D835-L837 PolarHBondContact O-N 2.93Å; D835-L838 PolarHBondContact O-N 3.36Å; D835-E839 PolarHBondContact O-N 3.31Å; D835-E839 VanDerWaalsContact O-N 3.07Å
836	K	69.7	Low	77.3	Confident	156 Å²	156	64.7 Å²	64.7	68%	0.678	30%	0.295	S	S	*	.	H	α-helix	trans	-68.5	-34.7	179.7	-165.6	174.7	-175.4	178.1	0	112.8	R832 R833 D834 E839	R832-K836 PolarHBondContact O-N 3.28Å; R833-K836 PolarHBondContact O-N 3.23Å; D834-K836 VanDerWaalsContact C-N 3.33Å; D834-K836 PolarHBondContact O-N 3.4Å; K836-E839 WeakPolarHBondContact O-CB 3.45Å
837	L	66.7	Low	77.7	Confident	65 Å²	65	64.6 Å²	64.6	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-71.1	-35.3	176.4	-72	171.1	0	0	0	111.5	R833 D834 D835 P875	R833-L837 HydrophobicContact CG-CD1 4.05Å; R833-L837 HydrophobicContact CG-CG 4.46Å; R833-L837 VanDerWaalsContact O-CG 3.29Å; R833-L837 WeakPolarHBondContact O-CG 3.42Å; R833-L837 PolarHBondContact O-N 2.66Å; D834-L837 PolarHBondContact O-N 2.89Å; D835-L837 PolarHBondContact O-N 2.93Å; L837-P875 HydrophobicContact CD1-CG 4.14Å; L837-P875 HydrophobicContact CD2-CG 4.2Å
838	L	74.9	Confident	78.5	Confident	41 Å²	41	60 Å²	60	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-78	-18.7	178.6	-71.7	171	0	0	0	113.4	D834 D835 N840 A841 G842 L872	D834-L838 WeakPolarHBondContact O-CB 3.28Å; D834-L838 WeakPolarHBondContact O-CG 3.44Å; D834-L838 PolarHBondContact O-N 3.45Å; D835-L838 PolarHBondContact O-N 3.36Å; L838-N840 VanDerWaalsContact C-N 3.31Å; L838-N840 PolarHBondContact O-N 3.27Å; L838-A841 WeakPolarHBondContact O-CB 3.45Å; L838-A841 PolarHBondContact O-N 3.35Å; L838-A841 VanDerWaalsContact O-N 3.1Å; L838-G842 PolarHBondContact O-N 2.96Å; L838-L872 HydrophobicContact CD2-CD2 3.66Å
839	E	76.7	Confident	79.4	Confident	98 Å²	98	56.2 Å²	56.2	46%	0.458	26%	0.256	S	S	.	.	H	α-helix	trans	-53.7	-45.2	-179.1	-164.5	-169.8	148.3	0	0	112.7	D835 K836 G842 K843	D835-E839 PolarHBondContact O-N 3.31Å; D835-E839 VanDerWaalsContact O-N 3.07Å; K836-E839 WeakPolarHBondContact O-CB 3.45Å; E839-G842 PolarHBondContact O-N 3.31Å; E839-K843 HydrophobicContact CG-CD 4.37Å; E839-K843 WeakPolarHBondContact O-CD 3.46Å; E839-K843 WeakPolarHBondContact O-CG 3.27Å; E839-K843 PolarHBondContact O-N 3.4Å; E839-K843 WeakPolarHBondContact OE1-CE 3.34Å; E839-K843 IonicContact OE1-NZ 2.63Å; E839-K843 PolarHBondContact OE1-NZ 3.43Å
840	N	79.1	Confident	80	Confident	61 Å²	61	54.6 Å²	54.6	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-69.4	-36.8	178.8	-68.9	-23.2	0	0	0	112.8	L838 G842 K843 V844 Y871	L838-N840 VanDerWaalsContact C-N 3.31Å; L838-N840 PolarHBondContact O-N 3.27Å; N840-G842 VanDerWaalsContact C-N 3.33Å; N840-K843 PolarHBondContact O-N 3.03Å; N840-V844 PolarHBondContact O-N 3.39Å; N840-Y871 HydrophobicContact CB-CD1 3.59Å; N840-Y871 HydrophobicContact CB-CE1 3.79Å; N840-Y871 HydrophobicContact CB-CG 4.2Å
841	A	84.1	Confident	81	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-43.2	172.9	0	0	0	0	0	110.3	L838 K843 V844 F845 Y868 L872	L838-A841 WeakPolarHBondContact O-CB 3.45Å; L838-A841 PolarHBondContact O-N 3.35Å; L838-A841 VanDerWaalsContact O-N 3.1Å; A841-K843 VanDerWaalsContact C-N 3.31Å; A841-K843 PolarHBondContact O-N 3.25Å; A841-V844 PolarHBondContact O-N 2.85Å; A841-F845 PolarHBondContact O-N 3.28Å; A841-Y868 HydrophobicContact CB-CD2 3.92Å; A841-Y868 HydrophobicContact CB-CE2 3.56Å; A841-Y868 WeakPolarHBondContact O-CD2 3.36Å; A841-Y868 VanDerWaalsContact O-CE2 3.28Å; A841-Y868 WeakPolarHBondContact O-CE2 3.29Å; A841-L872 HydrophobicContact CB-CD2 4.16Å
842	G	87.1	Confident	82.1	Confident	7 Å²	7	52.3 Å²	52.3	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-40.5	174.6	0	0	0	0	0	112.7	L838 E839 N840 F845 T846	L838-G842 PolarHBondContact O-N 2.96Å; E839-G842 PolarHBondContact O-N 3.31Å; N840-G842 VanDerWaalsContact C-N 3.33Å; G842-F845 WeakPolarHBondContact O-CB 3.43Å; G842-F845 PolarHBondContact O-N 3.49Å; G842-T846 PolarHBondContact O-N 3.13Å; G842-T846 PolarHBondContact O-OG1 3.2Å; G842-T846 VanDerWaalsContact O-OG1 3.08Å
843	K	84.6	Confident	83.1	Confident	66 Å²	66	49 Å²	49	29%	0.287	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-50.2	177	-74.8	152.9	172.2	-176.2	0	112.7	E839 N840 A841 F845 T846 E847	E839-K843 HydrophobicContact CG-CD 4.37Å; E839-K843 WeakPolarHBondContact O-CD 3.46Å; E839-K843 WeakPolarHBondContact O-CG 3.27Å; E839-K843 PolarHBondContact O-N 3.4Å; E839-K843 WeakPolarHBondContact OE1-CE 3.34Å; E839-K843 IonicContact OE1-NZ 2.63Å; E839-K843 PolarHBondContact OE1-NZ 3.43Å; N840-K843 PolarHBondContact O-N 3.03Å; A841-K843 VanDerWaalsContact C-N 3.31Å; A841-K843 PolarHBondContact O-N 3.25Å; K843-F845 VanDerWaalsContact C-N 3.25Å; K843-F845 PolarHBondContact O-N 2.88Å; K843-T846 PolarHBondContact O-N 3.5Å; K843-E847 WeakPolarHBondContact O-CB 3.49Å; K843-E847 PolarHBondContact O-N 3.16Å
844	V	89.2	Confident	84.3	Confident	7 Å²	7	46.6 Å²	46.6	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-39.2	176.4	176	0	0	0	0	111.1	N840 A841 A848 F864 W867 Y871	N840-V844 PolarHBondContact O-N 3.39Å; A841-V844 PolarHBondContact O-N 2.85Å; V844-A848 VanDerWaalsContact O-CB 3.31Å; V844-A848 WeakPolarHBondContact O-CB 3.3Å; V844-A848 PolarHBondContact O-N 3.25Å; V844-F864 HydrophobicContact CG1-CD1 4.13Å; V844-W867 HydrophobicContact CG1-CD2 4.31Å; V844-W867 HydrophobicContact CG1-CE3 3.99Å; V844-W867 HydrophobicContact CG2-CD2 4.3Å; V844-W867 HydrophobicContact CG2-CE3 4.39Å; V844-Y871 HydrophobicContact CG2-CD2 3.66Å; V844-Y871 HydrophobicContact CG2-CE2 3.54Å
845	F	92.4	Very high	85.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-51.5	174.5	176.5	-84.7	0	0	0	111.6	F152 F153 V156 L172 L176 A841 G842 K843 E847 A848 V849 Y868	F152-F845 HydrophobicContact CD1-CE2 4.2Å; F152-F845 AromaticContact CE1-CE2 3.85Å; F152-F845 HydrophobicContact CE1-CE2 3.85Å; F152-F845 AromaticContact CE1-CZ 3.88Å; F152-F845 HydrophobicContact CE1-CZ 3.88Å; F153-F845 HydrophobicContact CB-CD2 4.27Å; F153-F845 HydrophobicContact CB-CE2 4.47Å; F153-F845 AromaticContact CD2-CD2 3.12Å; F153-F845 HydrophobicContact CD2-CD2 3.12Å; F153-F845 AromaticContact CD2-CE2 3.49Å; F153-F845 HydrophobicContact CD2-CE2 3.49Å; F153-F845 VanDerWaalsContact CD2-CE2 3.49Å; F153-F845 HydrophobicContact CD2-CG 4.19Å; F153-F845 HydrophobicContact CE2-CB 4.31Å; F153-F845 AromaticContact CE2-CD2 3.46Å; F153-F845 HydrophobicContact CE2-CD2 3.46Å; F153-F845 VanDerWaalsContact CE2-CD2 3.46Å; F153-F845 HydrophobicContact CE2-CE2 4.07Å; F153-F845 HydrophobicContact CE2-CG 4.12Å; F153-F845 AromaticContact CG-CD2 3.85Å; F153-F845 HydrophobicContact CG-CD2 3.85Å; F153-F845 HydrophobicContact CG-CE2 4.34Å; F153-F845 HydrophobicContact CZ-CD2 4.43Å; V156-F845 HydrophobicContact CG1-CE2 4.3Å; V156-F845 HydrophobicContact CG1-CZ 4.33Å; L172-F845 HydrophobicContact CB-CE1 4.22Å; L172-F845 HydrophobicContact CB-CZ 4.14Å; L176-F845 HydrophobicContact CB-CD1 4.45Å; L176-F845 HydrophobicContact CB-CE1 4.18Å; L176-F845 HydrophobicContact CB-CE2 4.3Å; L176-F845 HydrophobicContact CB-CZ 4.1Å; L176-F845 HydrophobicContact CD1-CD2 4.29Å; L176-F845 HydrophobicContact CD1-CE2 4.32Å; L176-F845 HydrophobicContact CD2-CB 3.62Å; L176-F845 HydrophobicContact CD2-CD1 3.73Å; L176-F845 HydrophobicContact CD2-CD2 3.57Å; L176-F845 HydrophobicContact CD2-CE1 4.28Å; L176-F845 HydrophobicContact CD2-CE2 4.12Å; L176-F845 HydrophobicContact CD2-CG 3.36Å; L176-F845 HydrophobicContact CD2-CZ 4.45Å; L176-F845 HydrophobicContact CG-CD2 4.35Å; L176-F845 HydrophobicContact CG-CE2 4.48Å; L176-F845 HydrophobicContact CG-CG 4.47Å; A841-F845 PolarHBondContact O-N 3.28Å; G842-F845 WeakPolarHBondContact O-CB 3.43Å; G842-F845 PolarHBondContact O-N 3.49Å; K843-F845 VanDerWaalsContact C-N 3.25Å; K843-F845 PolarHBondContact O-N 2.88Å; F845-E847 PolarHBondContact O-N 2.83Å; F845-A848 PolarHBondContact O-N 3.45Å; F845-V849 HydrophobicContact CD1-CG2 4.15Å; F845-V849 HydrophobicContact CD2-CG2 4.49Å; F845-V849 HydrophobicContact CE1-CB 4.48Å; F845-V849 HydrophobicContact CE1-CG2 3.81Å; F845-V849 HydrophobicContact CE2-CG2 4.2Å; F845-V849 HydrophobicContact CG-CG2 4.46Å; F845-V849 HydrophobicContact CZ-CG2 3.84Å; F845-V849 WeakPolarHBondContact O-CB 3.49Å; F845-V849 VanDerWaalsContact O-CG2 3.28Å; F845-V849 WeakPolarHBondContact O-CG2 3.48Å; F845-V849 PolarHBondContact O-N 3.5Å; F845-Y868 HydrophobicContact CB-CD2 4.3Å; F845-Y868 HydrophobicContact CB-CE2 4.22Å
846	T	89.9	Confident	86.6	Confident	35 Å²	35	41.9 Å²	41.9	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-45	-177.9	-62.9	0	0	0	0	111.3	T173 G842 K843 A848 V849 Q850	T173-T846 WeakPolarHBondContact CG2-OG1 3.32Å; T173-T846 PolarHBondContact OG1-OG1 2.83Å; G842-T846 PolarHBondContact O-N 3.13Å; G842-T846 PolarHBondContact O-OG1 3.2Å; G842-T846 VanDerWaalsContact O-OG1 3.08Å; K843-T846 PolarHBondContact O-N 3.5Å; T846-A848 PolarHBondContact O-N 3.09Å; T846-V849 PolarHBondContact O-N 3.19Å; T846-Q850 HydrophobicContact CG2-CG 4.19Å; T846-Q850 WeakPolarHBondContact O-CB 3.47Å; T846-Q850 VanDerWaalsContact O-CG 3.31Å; T846-Q850 WeakPolarHBondContact O-CG 3.48Å; T846-Q850 PolarHBondContact O-N 3.28Å
847	E	90.2	Very high	87.7	Confident	30 Å²	30	35 Å²	35	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-46.3	177.8	176.9	175	-143.2	0	0	112.4	F477 D478 K843 F845 N851	F477-E847 WeakPolarHBondContact CA-OE1 3.46Å; F477-E847 WeakPolarHBondContact CB-OE1 3.17Å; F477-E847 HydrophobicContact CD1-CG 3.86Å; D478-E847 PolarHBondContact N-OE1 3.42Å; K843-E847 WeakPolarHBondContact O-CB 3.49Å; K843-E847 PolarHBondContact O-N 3.16Å; F845-E847 PolarHBondContact O-N 2.83Å; E847-N851 WeakPolarHBondContact O-CB 3.36Å; E847-N851 PolarHBondContact O-N 2.84Å; E847-N851 PolarHBondContact O-ND2 2.8Å; E847-N851 VanDerWaalsContact O-ND2 3.1Å
848	A	93.1	Very high	89	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-37.8	178.8	0	0	0	0	0	112.4	F153 L157 V844 F845 T846 N851 I852 F864	F153-A848 HydrophobicContact CE2-CB 4.25Å; F153-A848 HydrophobicContact CZ-CB 3.9Å; L157-A848 HydrophobicContact CD2-CB 4.09Å; V844-A848 VanDerWaalsContact O-CB 3.31Å; V844-A848 WeakPolarHBondContact O-CB 3.3Å; V844-A848 PolarHBondContact O-N 3.25Å; F845-A848 PolarHBondContact O-N 3.45Å; T846-A848 PolarHBondContact O-N 3.09Å; A848-N851 CarbonylContact O-C 3.55Å; A848-I852 VanDerWaalsContact O-CA 3.28Å; A848-I852 WeakPolarHBondContact O-CA 3.36Å; A848-I852 PolarHBondContact O-N 3.31Å; A848-I852 VanDerWaalsContact O-N 3.13Å; A848-F864 HydrophobicContact CB-CB 4.26Å; A848-F864 HydrophobicContact CB-CD1 3.75Å; A848-F864 HydrophobicContact CB-CE1 4.32Å; A848-F864 HydrophobicContact CB-CG 4.03Å
849	V	92.4	Very high	89.8	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-74.8	-41	-179.4	167.6	0	0	0	0	112	V156 Y164 L172 F845 T846 N851 I852	V156-V849 HydrophobicContact CG1-CG2 3.78Å; Y164-V849 HydrophobicContact CE1-CG1 4.23Å; L172-V849 HydrophobicContact CB-CG1 4.22Å; L172-V849 HydrophobicContact CD1-CG1 3.72Å; F845-V849 HydrophobicContact CD1-CG2 4.15Å; F845-V849 HydrophobicContact CD2-CG2 4.49Å; F845-V849 HydrophobicContact CE1-CB 4.48Å; F845-V849 HydrophobicContact CE1-CG2 3.81Å; F845-V849 HydrophobicContact CE2-CG2 4.2Å; F845-V849 HydrophobicContact CG-CG2 4.46Å; F845-V849 HydrophobicContact CZ-CG2 3.84Å; F845-V849 WeakPolarHBondContact O-CB 3.49Å; F845-V849 VanDerWaalsContact O-CG2 3.28Å; F845-V849 WeakPolarHBondContact O-CG2 3.48Å; F845-V849 PolarHBondContact O-N 3.5Å; T846-V849 PolarHBondContact O-N 3.19Å; V849-N851 VanDerWaalsContact C-N 3.26Å; V849-N851 PolarHBondContact O-N 3.01Å; V849-I852 PolarHBondContact O-N 3.29Å
850	Q	90.1	Very high	90.5	Very high	116 Å²	116	27.7 Å²	27.7	54%	0.542	13%	0.134	S	C	.	.	H	α-helix	trans	-62.9	-36.8	175.8	-76.8	177.2	-17.1	0	0	111.5	T846	T846-Q850 HydrophobicContact CG2-CG 4.19Å; T846-Q850 WeakPolarHBondContact O-CB 3.47Å; T846-Q850 VanDerWaalsContact O-CG 3.31Å; T846-Q850 WeakPolarHBondContact O-CG 3.48Å; T846-Q850 PolarHBondContact O-N 3.28Å
851	N	91.9	Very high	91.2	Very high	43 Å²	43	25 Å²	25	23%	0.23	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	29	-177.5	-61.8	-62.4	0	0	0	113.2	V475 F477 E847 A848 V849 R853 C854 V855	V475-N851 HydrophobicContact CG1-CB 3.79Å; V475-N851 WeakPolarHBondContact CG1-OD1 3.49Å; F477-N851 HydrophobicContact CE1-CB 3.91Å; F477-N851 HydrophobicContact CZ-CB 4.39Å; E847-N851 WeakPolarHBondContact O-CB 3.36Å; E847-N851 PolarHBondContact O-N 2.84Å; E847-N851 PolarHBondContact O-ND2 2.8Å; E847-N851 VanDerWaalsContact O-ND2 3.1Å; A848-N851 CarbonylContact O-C 3.55Å; V849-N851 VanDerWaalsContact C-N 3.26Å; V849-N851 PolarHBondContact O-N 3.01Å; N851-R853 VanDerWaalsContact C-N 3.26Å; N851-R853 PolarHBondContact O-N 3.23Å; N851-R853 VanDerWaalsContact O-N 3.15Å; N851-C854 WeakPolarHBondContact O-CB 3.39Å; N851-C854 PolarHBondContact O-N 3.33Å; N851-V855 PolarHBondContact O-N 3.18Å
852	I	93.3	Very high	91.6	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.046	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-35.6	-170.1	-169.6	64.4	0	0	0	113.5	L157 Y164 A848 V849 C854 V855 Q856	L157-I852 HydrophobicContact CD2-CD1 4.01Å; Y164-I852 HydrophobicContact CD1-CG2 3.93Å; Y164-I852 HydrophobicContact CD2-CG1 4.16Å; Y164-I852 HydrophobicContact CD2-CG2 4.16Å; Y164-I852 HydrophobicContact CE1-CB 4.35Å; Y164-I852 HydrophobicContact CE1-CG1 4.24Å; Y164-I852 HydrophobicContact CE1-CG2 4.14Å; Y164-I852 HydrophobicContact CE2-CD1 4.33Å; Y164-I852 HydrophobicContact CE2-CG1 3.64Å; Y164-I852 HydrophobicContact CE2-CG2 4.38Å; Y164-I852 HydrophobicContact CG-CG2 3.92Å; A848-I852 VanDerWaalsContact O-CA 3.28Å; A848-I852 WeakPolarHBondContact O-CA 3.36Å; A848-I852 PolarHBondContact O-N 3.31Å; A848-I852 VanDerWaalsContact O-N 3.13Å; V849-I852 PolarHBondContact O-N 3.29Å; I852-C854 VanDerWaalsContact C-N 3.31Å; I852-C854 PolarHBondContact O-N 3.06Å; I852-V855 PolarHBondContact O-N 3.29Å; I852-Q856 HydrophobicContact CD1-CG 4.05Å; I852-Q856 HydrophobicContact CG1-CG 4.11Å; I852-Q856 WeakPolarHBondContact O-CB 3.42Å; I852-Q856 WeakPolarHBondContact O-CG 3.5Å; I852-Q856 PolarHBondContact O-N 2.92Å
853	R	92.5	Very high	91.9	Very high	121 Å²	121	36.6 Å²	36.6	46%	0.457	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-39.8	176.7	-68.7	-176	-178.6	176	0.5	111.6	I161 D165 F440 N851 S857	I161-R853 HydrophobicContact CG1-CG 4.12Å; D165-R853 IonicContact OD1-CZ 3.19Å; D165-R853 IonicContact OD1-NH2 3.49Å; D165-R853 PolarHBondContact OD1-NH2 3.14Å; F440-R853 HydrophobicContact CE2-CB 4.38Å; F440-R853 WeakPolarHBondContact CZ-O 3.22Å; N851-R853 VanDerWaalsContact C-N 3.26Å; N851-R853 PolarHBondContact O-N 3.23Å; N851-R853 VanDerWaalsContact O-N 3.15Å; R853-S857 WeakPolarHBondContact O-CB 3.33Å; R853-S857 PolarHBondContact O-N 3.15Å; R853-S857 PolarHBondContact O-OG 2.87Å
854	C	93.8	Very high	92.4	Very high	17 Å²	17	33.5 Å²	33.5	12%	0.115	15%	0.151	C	C	.	.	H	α-helix	trans	-70	-44.1	175.4	-175.2	0	0	0	0	111.4	V475 F477 N851 I852 Q856 S857 L858	V475-C854 HydrophobicContact CB-CB 4.28Å; V475-C854 HydrophobicContact CG2-CB 4.35Å; F477-C854 HydrophobicContact CZ-CB 4.29Å; N851-C854 WeakPolarHBondContact O-CB 3.39Å; N851-C854 PolarHBondContact O-N 3.33Å; I852-C854 VanDerWaalsContact C-N 3.31Å; I852-C854 PolarHBondContact O-N 3.06Å; C854-Q856 VanDerWaalsContact C-N 3.31Å; C854-Q856 PolarHBondContact O-N 3.31Å; C854-S857 PolarHBondContact O-N 3.47Å; C854-S857 PolarHBondContact O-OG 2.85Å; C854-L858 WeakPolarHBondContact O-CB 3.34Å; C854-L858 VanDerWaalsContact O-CG 3.29Å; C854-L858 WeakPolarHBondContact O-CG 3.48Å; C854-L858 PolarHBondContact O-N 3.17Å; C854-L858 VanDerWaalsContact O-N 3.08Å
855	V	94.3	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-42.6	178.2	177.8	0	0	0	0	111.3	F477 N851 I852 C859 R860 E861 F864	F477-V855 HydrophobicContact CE1-CG2 3.79Å; F477-V855 HydrophobicContact CZ-CG2 3.73Å; N851-V855 PolarHBondContact O-N 3.18Å; I852-V855 PolarHBondContact O-N 3.29Å; V855-C859 PolarHBondContact O-N 2.85Å; V855-R860 PolarHBondContact O-N 3.02Å; V855-E861 HydrophobicContact CG1-CG 4.36Å; V855-F864 HydrophobicContact CB-CD2 4.48Å; V855-F864 HydrophobicContact CB-CE2 4.49Å; V855-F864 HydrophobicContact CG1-CD2 3.66Å; V855-F864 HydrophobicContact CG1-CE2 4.1Å; V855-F864 HydrophobicContact CG1-CG 4.47Å; V855-F864 HydrophobicContact CG2-CD2 3.98Å; V855-F864 HydrophobicContact CG2-CE2 3.72Å; V855-F864 HydrophobicContact CG2-CZ 4.22Å
856	Q	93.4	Very high	92.6	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-76.5	-32.2	-178.9	-74	-157.6	6.7	0	0	113.9	L157 M159 I161 F440 R464 I852 C854 C859 E861	L157-Q856 PolarHBondContact O-NE2 3.27Å; M159-Q856 PolarHBondContact O-NE2 3.49Å; I161-Q856 HydrophobicContact CD1-CB 4.46Å; I161-Q856 VanDerWaalsContact CD1-CD 3.49Å; I161-Q856 HydrophobicContact CD1-CG 4.42Å; F440-Q856 HydrophobicContact CE1-CB 4.07Å; R464-Q856 WeakPolarHBondContact CD-O 3.31Å; R464-Q856 PolarHBondContact NH1-O 3.05Å; R464-Q856 VanDerWaalsContact NH1-O 3.11Å; I852-Q856 HydrophobicContact CD1-CG 4.05Å; I852-Q856 HydrophobicContact CG1-CG 4.11Å; I852-Q856 WeakPolarHBondContact O-CB 3.42Å; I852-Q856 WeakPolarHBondContact O-CG 3.5Å; I852-Q856 PolarHBondContact O-N 2.92Å; C854-Q856 VanDerWaalsContact C-N 3.31Å; C854-Q856 PolarHBondContact O-N 3.31Å; Q856-C859 PolarHBondContact O-N 3.41Å; Q856-C859 PolarHBondContact O-SG 3.18Å; Q856-E861 HydrophobicContact CG-CG 4.16Å
857	S	92.7	Very high	92.5	Very high	11 Å²	11	40.1 Å²	40.1	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-37.6	172.7	65.1	0	0	0	0	111.6	R544 R853 C854 C859	R544-S857 PolarHBondContact NH1-O 2.57Å; R853-S857 WeakPolarHBondContact O-CB 3.33Å; R853-S857 PolarHBondContact O-N 3.15Å; R853-S857 PolarHBondContact O-OG 2.87Å; C854-S857 PolarHBondContact O-N 3.47Å; C854-S857 PolarHBondContact O-OG 2.85Å; S857-C859 PolarHBondContact O-N 3.16Å
858	L	92.6	Very high	92.6	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.8	173.5	-63.3	171.3	0	0	0	113.1	F477 L487 R540 R544 C854 R860	F477-L858 HydrophobicContact CE2-CD1 4.35Å; L487-L858 HydrophobicContact CB-CD1 4.33Å; R540-L858 HydrophobicContact CG-CD2 4.06Å; R544-L858 PolarHBondContact NH2-O 3.32Å; C854-L858 WeakPolarHBondContact O-CB 3.34Å; C854-L858 VanDerWaalsContact O-CG 3.29Å; C854-L858 WeakPolarHBondContact O-CG 3.48Å; C854-L858 PolarHBondContact O-N 3.17Å; C854-L858 VanDerWaalsContact O-N 3.08Å; L858-R860 VanDerWaalsContact C-N 3.32Å; L858-R860 HydrophobicContact CB-CB 4.47Å; L858-R860 HydrophobicContact CB-CG 3.8Å; L858-R860 PolarHBondContact O-N 3.23Å
859	C	91.6	Very high	92.3	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.034	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	45.9	-172.1	-53.4	0	0	0	0	113.9	H461 R464 V855 Q856 S857 E861	H461-C859 WeakPolarHBondContact CE1-CB 3.38Å; H461-C859 WeakPolarHBondContact ND1-CB 3.39Å; R464-C859 WeakPolarHBondContact CB-SG 3.36Å; V855-C859 PolarHBondContact O-N 2.85Å; Q856-C859 PolarHBondContact O-N 3.41Å; Q856-C859 PolarHBondContact O-SG 3.18Å; S857-C859 PolarHBondContact O-N 3.16Å; C859-E861 WeakPolarHBondContact CA-OE2 3.37Å
860	R	92.7	Very high	91.8	Very high	32 Å²	32	41 Å²	41	12%	0.121	19%	0.19	C	C	.	.			trans	-106.5	18.5	-178.3	-60	-55.7	174.1	-158.4	-1.1	113.6	L487 G488 V855 L858 R862 H863 F864	L487-R860 HydrophobicContact CD2-CB 4.42Å; L487-R860 HydrophobicContact CD2-CG 4.25Å; L487-R860 WeakPolarHBondContact O-CG 3.32Å; L487-R860 PolarHBondContact O-NE 3.19Å; G488-R860 PolarHBondContact O-NH2 3.23Å; V855-R860 PolarHBondContact O-N 3.02Å; L858-R860 VanDerWaalsContact C-N 3.32Å; L858-R860 HydrophobicContact CB-CB 4.47Å; L858-R860 HydrophobicContact CB-CG 3.8Å; L858-R860 PolarHBondContact O-N 3.23Å; R860-R862 VanDerWaalsContact C-N 3.27Å; R860-R862 PolarHBondContact O-N 3.08Å; R860-H863 HydrophobicContact CB-CB 4.3Å; R860-H863 WeakPolarHBondContact O-CB 3.19Å; R860-H863 PolarHBondContact O-N 3.12Å; R860-F864 HydrophobicContact CB-CD2 4.37Å; R860-F864 HydrophobicContact CB-CE2 4.46Å; R860-F864 WeakPolarHBondContact O-CD2 3.33Å; R860-F864 PolarHBondContact O-N 3.35Å; R860-F864 VanDerWaalsContact O-N 3.1Å
861	E	93.8	Very high	91.3	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-51	-46.8	175.8	-58.9	93.7	146.4	0	0	111.3	L157 S374 V855 Q856 C859 H863 F864 H865	L157-E861 HydrophobicContact CB-CB 4.07Å; L157-E861 HydrophobicContact CB-CG 4.3Å; L157-E861 WeakPolarHBondContact CD1-O 3.38Å; S374-E861 WeakPolarHBondContact CB-OE1 3.33Å; S374-E861 PolarHBondContact OG-OE1 3.38Å; V855-E861 HydrophobicContact CG1-CG 4.36Å; Q856-E861 HydrophobicContact CG-CG 4.16Å; C859-E861 WeakPolarHBondContact CA-OE2 3.37Å; E861-H863 VanDerWaalsContact C-N 3.32Å; E861-H863 PolarHBondContact O-N 3.42Å; E861-F864 PolarHBondContact O-N 2.85Å; E861-H865 WeakPolarHBondContact O-CB 3.4Å; E861-H865 PolarHBondContact O-N 3.45Å
862	R	92.8	Very high	90.4	Very high	183 Å²	183	37.2 Å²	37.2	69%	0.691	17%	0.17	S	C	*	.	H	α-helix	trans	-65.2	-33.9	179.6	-171.1	173	-177.8	173.1	-1.6	113.2	R860 T866	R860-R862 VanDerWaalsContact C-N 3.27Å; R860-R862 PolarHBondContact O-N 3.08Å; R862-T866 WeakPolarHBondContact O-CB 3.49Å; R862-T866 PolarHBondContact O-N 3.29Å; R862-T866 PolarHBondContact O-OG1 3.16Å
863	H	92.7	Very high	89	Confident	69 Å²	69	38.8 Å²	38.8	32%	0.319	18%	0.18	S	C	.	.	H	α-helix	trans	-67	-51.6	177.6	178.7	84.1	0	0	0	110	L490 R860 E861 H865 T866 W867	L490-H863 HydrophobicContact CD1-CB 4.34Å; R860-H863 HydrophobicContact CB-CB 4.3Å; R860-H863 WeakPolarHBondContact O-CB 3.19Å; R860-H863 PolarHBondContact O-N 3.12Å; E861-H863 VanDerWaalsContact C-N 3.32Å; E861-H863 PolarHBondContact O-N 3.42Å; H863-H865 VanDerWaalsContact C-N 3.31Å; H863-H865 PolarHBondContact O-N 3.03Å; H863-T866 PolarHBondContact O-N 3.49Å; H863-T866 VanDerWaalsContact O-N 3.09Å; H863-W867 WeakPolarHBondContact O-CB 3.43Å; H863-W867 PolarHBondContact O-N 3.29Å
864	F	94.2	Very high	87	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-41	175.4	-81.1	-82.1	0	0	0	112.2	F153 L157 F477 L487 V844 A848 V855 R860 E861 T866 W867 Y868	F153-F864 WeakPolarHBondContact CE1-O 3.37Å; F153-F864 HydrophobicContact CZ-CB 4.42Å; L157-F864 HydrophobicContact CD1-CB 4.46Å; F477-F864 AromaticContact CD1-CE1 3.99Å; F477-F864 HydrophobicContact CD1-CE1 3.99Å; F477-F864 HydrophobicContact CD1-CE2 4.47Å; F477-F864 AromaticContact CD1-CZ 3.46Å; F477-F864 HydrophobicContact CD1-CZ 3.46Å; F477-F864 VanDerWaalsContact CD1-CZ 3.46Å; F477-F864 HydrophobicContact CD2-CZ 4.26Å; F477-F864 HydrophobicContact CE1-CE1 4.24Å; F477-F864 HydrophobicContact CE1-CE2 4.16Å; F477-F864 AromaticContact CE1-CZ 3.52Å; F477-F864 HydrophobicContact CE1-CZ 3.52Å; F477-F864 HydrophobicContact CE2-CZ 4.31Å; F477-F864 AromaticContact CG-CZ 3.84Å; F477-F864 HydrophobicContact CG-CZ 3.84Å; F477-F864 HydrophobicContact CZ-CE2 4.22Å; F477-F864 AromaticContact CZ-CZ 3.96Å; F477-F864 HydrophobicContact CZ-CZ 3.96Å; L487-F864 HydrophobicContact CD2-CE2 4.49Å; V844-F864 HydrophobicContact CG1-CD1 4.13Å; A848-F864 HydrophobicContact CB-CB 4.26Å; A848-F864 HydrophobicContact CB-CD1 3.75Å; A848-F864 HydrophobicContact CB-CE1 4.32Å; A848-F864 HydrophobicContact CB-CG 4.03Å; V855-F864 HydrophobicContact CB-CD2 4.48Å; V855-F864 HydrophobicContact CB-CE2 4.49Å; V855-F864 HydrophobicContact CG1-CD2 3.66Å; V855-F864 HydrophobicContact CG1-CE2 4.1Å; V855-F864 HydrophobicContact CG1-CG 4.47Å; V855-F864 HydrophobicContact CG2-CD2 3.98Å; V855-F864 HydrophobicContact CG2-CE2 3.72Å; V855-F864 HydrophobicContact CG2-CZ 4.22Å; R860-F864 HydrophobicContact CB-CD2 4.37Å; R860-F864 HydrophobicContact CB-CE2 4.46Å; R860-F864 WeakPolarHBondContact O-CD2 3.33Å; R860-F864 PolarHBondContact O-N 3.35Å; R860-F864 VanDerWaalsContact O-N 3.1Å; E861-F864 PolarHBondContact O-N 2.85Å; F864-T866 VanDerWaalsContact C-N 3.34Å; F864-T866 PolarHBondContact O-N 3.46Å; F864-W867 HydrophobicContact CD1-CE3 4.04Å; F864-W867 HydrophobicContact CD1-CZ3 4.39Å; F864-W867 HydrophobicContact CE1-CE3 4.02Å; F864-W867 AromaticContact CE1-CZ3 3.91Å; F864-W867 HydrophobicContact CE1-CZ3 3.91Å; F864-W867 PolarHBondContact O-N 3.42Å; F864-Y868 WeakPolarHBondContact O-CB 3.34Å; F864-Y868 PolarHBondContact O-N 3.38Å
865	H	93.8	Very high	84.6	Confident	34 Å²	34	37.3 Å²	37.3	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-44.3	174.3	-178.6	-104.1	0	0	0	112.6	K150 L157 E861 H863 C869	K150-H865 PolarHBondContact O-NE2 2.9Å; L157-H865 HydrophobicContact CD1-CB 3.89Å; E861-H865 WeakPolarHBondContact O-CB 3.4Å; E861-H865 PolarHBondContact O-N 3.45Å; H863-H865 VanDerWaalsContact C-N 3.31Å; H863-H865 PolarHBondContact O-N 3.03Å; H865-C869 VanDerWaalsContact CE1-SG 3.51Å; H865-C869 WeakPolarHBondContact O-CB 3.39Å; H865-C869 PolarHBondContact O-N 2.97Å; H865-C869 PolarHBondContact O-SG 3.2Å
866	T	92.4	Very high	82.1	Confident	82 Å²	82	43.5 Å²	43.5	50%	0.503	21%	0.21	S	C	.	.	H	α-helix	trans	-67.7	-39.4	178.8	-53.7	0	0	0	0	111	R862 H863 F864 C869 S870	R862-T866 WeakPolarHBondContact O-CB 3.49Å; R862-T866 PolarHBondContact O-N 3.29Å; R862-T866 PolarHBondContact O-OG1 3.16Å; H863-T866 PolarHBondContact O-N 3.49Å; H863-T866 VanDerWaalsContact O-N 3.09Å; F864-T866 VanDerWaalsContact C-N 3.34Å; F864-T866 PolarHBondContact O-N 3.46Å; T866-C869 CarbonylContact O-C 3.54Å; T866-C869 WeakPolarHBondContact O-CB 3.3Å; T866-C869 PolarHBondContact O-N 2.78Å; T866-S870 PolarHBondContact O-N 3.19Å
867	W	89.2	Confident	79.5	Confident	65 Å²	65	54.7 Å²	54.7	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-43.6	177	-163.7	20.4	0	0	0	112	D478 V844 H863 F864 C869 S870 Y871	D478-W867 WeakPolarHBondContact O-CH2 3.32Å; V844-W867 HydrophobicContact CG1-CD2 4.31Å; V844-W867 HydrophobicContact CG1-CE3 3.99Å; V844-W867 HydrophobicContact CG2-CD2 4.3Å; V844-W867 HydrophobicContact CG2-CE3 4.39Å; H863-W867 WeakPolarHBondContact O-CB 3.43Å; H863-W867 PolarHBondContact O-N 3.29Å; F864-W867 HydrophobicContact CD1-CE3 4.04Å; F864-W867 HydrophobicContact CD1-CZ3 4.39Å; F864-W867 HydrophobicContact CE1-CE3 4.02Å; F864-W867 AromaticContact CE1-CZ3 3.91Å; F864-W867 HydrophobicContact CE1-CZ3 3.91Å; F864-W867 PolarHBondContact O-N 3.42Å; W867-C869 VanDerWaalsContact C-N 3.34Å; W867-C869 PolarHBondContact O-N 3.48Å; W867-S870 PolarHBondContact O-N 3.09Å; W867-S870 PolarHBondContact O-OG 3.12Å; W867-Y871 AromaticContact CD1-CE2 3.68Å; W867-Y871 AromaticContact CE2-CE2 3.98Å; W867-Y871 HydrophobicContact CG-CE2 4.36Å; W867-Y871 AromaticContact NE1-CE2 3.43Å; W867-Y871 VanDerWaalsContact O-CD2 3.3Å; W867-Y871 WeakPolarHBondContact O-CD2 3.49Å; W867-Y871 PolarHBondContact O-N 2.83Å; W867-Y871 VanDerWaalsContact O-N 3.12Å
868	Y	90.4	Very high	76.5	Confident	1 Å²	1	64.5 Å²	64.5	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-42.3	170.6	175.2	-97.2	0	0	0	112.3	F153 L176 A841 F845 F864 S870 Y871 L872	F153-Y868 HydrophobicContact CB-CD1 4.09Å; F153-Y868 HydrophobicContact CB-CE1 4.01Å; F153-Y868 VanDerWaalsContact CD1-CB 3.48Å; F153-Y868 AromaticContact CD1-CD1 3.45Å; F153-Y868 HydrophobicContact CD1-CD1 3.45Å; F153-Y868 VanDerWaalsContact CD1-CD1 3.45Å; F153-Y868 HydrophobicContact CD1-CD2 4.12Å; F153-Y868 HydrophobicContact CD1-CE1 4.19Å; F153-Y868 AromaticContact CD1-CG 3.41Å; F153-Y868 HydrophobicContact CD1-CG 3.41Å; F153-Y868 VanDerWaalsContact CD1-CG 3.41Å; F153-Y868 HydrophobicContact CE1-CD1 4.2Å; F153-Y868 HydrophobicContact CE1-CD2 4.25Å; F153-Y868 AromaticContact CE1-CG 3.69Å; F153-Y868 HydrophobicContact CE1-CG 3.69Å; F153-Y868 HydrophobicContact CG-CD1 4.1Å; F153-Y868 HydrophobicContact CG-CE1 4.41Å; F153-Y868 HydrophobicContact CG-CG 4.25Å; L176-Y868 WeakPolarHBondContact CD1-OH 3.21Å; L176-Y868 HydrophobicContact CD2-CE2 4.23Å; A841-Y868 HydrophobicContact CB-CD2 3.92Å; A841-Y868 HydrophobicContact CB-CE2 3.56Å; A841-Y868 WeakPolarHBondContact O-CD2 3.36Å; A841-Y868 VanDerWaalsContact O-CE2 3.28Å; A841-Y868 WeakPolarHBondContact O-CE2 3.29Å; F845-Y868 HydrophobicContact CB-CD2 4.3Å; F845-Y868 HydrophobicContact CB-CE2 4.22Å; F864-Y868 WeakPolarHBondContact O-CB 3.34Å; F864-Y868 PolarHBondContact O-N 3.38Å; Y868-S870 VanDerWaalsContact C-N 3.27Å; Y868-S870 PolarHBondContact O-N 3.19Å; Y868-Y871 PolarHBondContact O-N 3.49Å; Y868-Y871 VanDerWaalsContact O-N 3.12Å; Y868-L872 HydrophobicContact CD1-CD1 3.89Å; Y868-L872 HydrophobicContact CD1-CG 4.28Å; Y868-L872 HydrophobicContact CE1-CD1 3.29Å; Y868-L872 HydrophobicContact CE1-CD2 4.39Å; Y868-L872 HydrophobicContact CE1-CG 3.83Å; Y868-L872 PolarHBondContact O-N 3.42Å
869	C	87.9	Confident	74.1	Confident	16 Å²	16	68.6 Å²	68.6	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-32.1	175.9	-73.9	0	0	0	0	112.8	H865 T866 W867 T873	H865-C869 VanDerWaalsContact CE1-SG 3.51Å; H865-C869 WeakPolarHBondContact O-CB 3.39Å; H865-C869 PolarHBondContact O-N 2.97Å; H865-C869 PolarHBondContact O-SG 3.2Å; T866-C869 CarbonylContact O-C 3.54Å; T866-C869 WeakPolarHBondContact O-CB 3.3Å; T866-C869 PolarHBondContact O-N 2.78Å; W867-C869 VanDerWaalsContact C-N 3.34Å; W867-C869 PolarHBondContact O-N 3.48Å; C869-T873 PolarHBondContact O-N 3.43Å; C869-T873 PolarHBondContact O-OG1 2.9Å
870	S	82.6	Confident	71.8	Confident	33 Å²	33	75.6 Å²	75.6	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-44.4	172.6	82.9	0	0	0	0	109.3	T866 W867 Y868 L872 T873 I874	T866-S870 PolarHBondContact O-N 3.19Å; W867-S870 PolarHBondContact O-N 3.09Å; W867-S870 PolarHBondContact O-OG 3.12Å; Y868-S870 VanDerWaalsContact C-N 3.27Å; Y868-S870 PolarHBondContact O-N 3.19Å; S870-L872 VanDerWaalsContact C-N 3.35Å; S870-L872 PolarHBondContact O-N 2.81Å; S870-T873 WeakPolarHBondContact CA-OG1 3.2Å; S870-T873 CarbonylContact O-C 3.59Å; S870-T873 WeakPolarHBondContact O-CA 3.42Å; S870-T873 PolarHBondContact O-N 3.07Å; S870-T873 PolarHBondContact O-OG1 3.07Å; S870-I874 VanDerWaalsContact C-CD1 3.45Å; S870-I874 VanDerWaalsContact O-CB 3.29Å; S870-I874 WeakPolarHBondContact O-CB 3.09Å; S870-I874 WeakPolarHBondContact O-CD1 3.21Å; S870-I874 WeakPolarHBondContact O-CG1 3.34Å; S870-I874 PolarHBondContact O-N 2.92Å; S870-I874 WeakPolarHBondContact OG-CD1 3.45Å
871	Y	78.1	Confident	69.6	Low	56 Å²	56	77.2 Å²	77.2	22%	0.22	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-39.3	175.8	-77.3	-66.9	0	0	0	114.2	N840 V844 W867 Y868 T873 I874	N840-Y871 HydrophobicContact CB-CD1 3.59Å; N840-Y871 HydrophobicContact CB-CE1 3.79Å; N840-Y871 HydrophobicContact CB-CG 4.2Å; V844-Y871 HydrophobicContact CG2-CD2 3.66Å; V844-Y871 HydrophobicContact CG2-CE2 3.54Å; W867-Y871 AromaticContact CD1-CE2 3.68Å; W867-Y871 AromaticContact CE2-CE2 3.98Å; W867-Y871 HydrophobicContact CG-CE2 4.36Å; W867-Y871 AromaticContact NE1-CE2 3.43Å; W867-Y871 VanDerWaalsContact O-CD2 3.3Å; W867-Y871 WeakPolarHBondContact O-CD2 3.49Å; W867-Y871 PolarHBondContact O-N 2.83Å; W867-Y871 VanDerWaalsContact O-N 3.12Å; Y868-Y871 PolarHBondContact O-N 3.49Å; Y868-Y871 VanDerWaalsContact O-N 3.12Å; Y871-T873 PolarHBondContact O-N 3.25Å; Y871-I874 HydrophobicContact CD1-CB 4.32Å; Y871-I874 HydrophobicContact CD1-CD1 3.72Å; Y871-I874 HydrophobicContact CD1-CG2 3.92Å; Y871-I874 HydrophobicContact CE1-CD1 3.96Å; Y871-I874 HydrophobicContact CE1-CG2 4.35Å; Y871-I874 HydrophobicContact CG-CD1 4.14Å; Y871-I874 PolarHBondContact O-N 2.94Å; Y871-I874 VanDerWaalsContact O-N 3.09Å
872	L	74.2	Confident	67.2	Low	24 Å²	24	78.7 Å²	78.7	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-18.4	172.1	-70.3	-178.9	0	0	0	113.8	R149 K150 L838 A841 Y868 S870	R149-L872 HydrophobicContact CB-CD1 4Å; K150-L872 HydrophobicContact CG-CD1 3.81Å; L838-L872 HydrophobicContact CD2-CD2 3.66Å; A841-L872 HydrophobicContact CB-CD2 4.16Å; Y868-L872 HydrophobicContact CD1-CD1 3.89Å; Y868-L872 HydrophobicContact CD1-CG 4.28Å; Y868-L872 HydrophobicContact CE1-CD1 3.29Å; Y868-L872 HydrophobicContact CE1-CD2 4.39Å; Y868-L872 HydrophobicContact CE1-CG 3.83Å; Y868-L872 PolarHBondContact O-N 3.42Å; S870-L872 VanDerWaalsContact C-N 3.35Å; S870-L872 PolarHBondContact O-N 2.81Å
873	T	63.4	Low	64.9	Low	43 Å²	43	70.4 Å²	70.4	26%	0.264	35%	0.352	S	S	.	.	H	α-helix	trans	-103.4	-1.6	175.7	43.4	0	0	0	0	113.1	C869 S870 Y871 P875 F876 A883	C869-T873 PolarHBondContact O-N 3.43Å; C869-T873 PolarHBondContact O-OG1 2.9Å; S870-T873 WeakPolarHBondContact CA-OG1 3.2Å; S870-T873 CarbonylContact O-C 3.59Å; S870-T873 WeakPolarHBondContact O-CA 3.42Å; S870-T873 PolarHBondContact O-N 3.07Å; S870-T873 PolarHBondContact O-OG1 3.07Å; Y871-T873 PolarHBondContact O-N 3.25Å; T873-P875 VanDerWaalsContact O-CD 3.3Å; T873-P875 WeakPolarHBondContact O-CD 3.44Å; T873-F876 VanDerWaalsContact C-CE2 3.4Å; T873-F876 WeakPolarHBondContact O-CD2 3.19Å; T873-F876 WeakPolarHBondContact O-CE2 3.47Å; T873-A883 WeakPolarHBondContact O-CB 3.47Å
874	I	50.8	Low	63	Low	54 Å²	54	70.6 Å²	70.6	28%	0.277	35%	0.352	S	S	.	.			trans	-80.2	18.8	-161.8	-90.2	166.9	0	0	0	121.2	S870 Y871 F876	S870-I874 VanDerWaalsContact C-CD1 3.45Å; S870-I874 VanDerWaalsContact O-CB 3.29Å; S870-I874 WeakPolarHBondContact O-CB 3.09Å; S870-I874 WeakPolarHBondContact O-CD1 3.21Å; S870-I874 WeakPolarHBondContact O-CG1 3.34Å; S870-I874 PolarHBondContact O-N 2.92Å; S870-I874 WeakPolarHBondContact OG-CD1 3.45Å; Y871-I874 HydrophobicContact CD1-CB 4.32Å; Y871-I874 HydrophobicContact CD1-CD1 3.72Å; Y871-I874 HydrophobicContact CD1-CG2 3.92Å; Y871-I874 HydrophobicContact CE1-CD1 3.96Å; Y871-I874 HydrophobicContact CE1-CG2 4.35Å; Y871-I874 HydrophobicContact CG-CD1 4.14Å; Y871-I874 PolarHBondContact O-N 2.94Å; Y871-I874 VanDerWaalsContact O-N 3.09Å; I874-F876 HydrophobicContact CB-CD2 4.01Å; I874-F876 HydrophobicContact CB-CE2 4.26Å; I874-F876 HydrophobicContact CB-CG 4.46Å; I874-F876 HydrophobicContact CG1-CB 4.27Å; I874-F876 HydrophobicContact CG1-CD1 4.14Å; I874-F876 HydrophobicContact CG1-CD2 3.49Å; I874-F876 VanDerWaalsContact CG1-CD2 3.49Å; I874-F876 HydrophobicContact CG1-CE1 4.25Å; I874-F876 HydrophobicContact CG1-CE2 3.51Å; I874-F876 HydrophobicContact CG1-CG 3.73Å; I874-F876 HydrophobicContact CG1-CZ 3.9Å; I874-F876 PolarHBondContact O-N 3.33Å
875	P	42	Very low	61.3	Low	53 Å²	53	76.7 Å²	76.7	34%	0.344	38%	0.375	S	S	.	.	S	Bend	trans	-67.3	68.4	146.8	-16.6	29.9	0	0	0	110.1	L837 T873 A883	L837-P875 HydrophobicContact CD1-CG 4.14Å; L837-P875 HydrophobicContact CD2-CG 4.2Å; T873-P875 VanDerWaalsContact O-CD 3.3Å; T873-P875 WeakPolarHBondContact O-CD 3.44Å; P875-A883 HydrophobicContact CB-CB 4.44Å; P875-A883 HydrophobicContact CG-CB 4.02Å
876	F	43.8	Very low	59.7	Low	129 Å²	129	76.1 Å²	76.1	57%	0.566	38%	0.376	S	S	*	.			trans	-97.3	119.6	-167.3	-100.7	-135.1	0	0	0	112.4	T873 I874	T873-F876 VanDerWaalsContact C-CE2 3.4Å; T873-F876 WeakPolarHBondContact O-CD2 3.19Å; T873-F876 WeakPolarHBondContact O-CE2 3.47Å; I874-F876 HydrophobicContact CB-CD2 4.01Å; I874-F876 HydrophobicContact CB-CE2 4.26Å; I874-F876 HydrophobicContact CB-CG 4.46Å; I874-F876 HydrophobicContact CG1-CB 4.27Å; I874-F876 HydrophobicContact CG1-CD1 4.14Å; I874-F876 HydrophobicContact CG1-CD2 3.49Å; I874-F876 VanDerWaalsContact CG1-CD2 3.49Å; I874-F876 HydrophobicContact CG1-CE1 4.25Å; I874-F876 HydrophobicContact CG1-CE2 3.51Å; I874-F876 HydrophobicContact CG1-CG 3.73Å; I874-F876 HydrophobicContact CG1-CZ 3.9Å; I874-F876 PolarHBondContact O-N 3.33Å
877	R	37.2	Very low	58.3	Low	238 Å²	238	73.6 Å²	73.6	90%	0.898	36%	0.362	S	S	*	.	S	Bend		-177	78	116.4	-97.8	-172.6	178.8	174.9	0.6	107.4
878	R	30.4	Very low	57.5	Low	218 Å²	218	72.3 Å²	72.3	82%	0.823	36%	0.36	S	S	*	.	S	Bend	trans	165.6	151.9	159.1	-94.1	173.4	-169.5	-164.3	5.3	109.7	S882	R878-S882 PolarHBondContact O-OG 3.07Å
879	P	41.3	Very low	56.8	Low	99 Å²	99	79.5 Å²	79.5	64%	0.643	39%	0.387	S	S	*	.			trans	-68.4	131.8	-130.7	28.2	-35	0	0	0	115.2	T881	P879-T881 PolarHBondContact O-N 3.33Å; P879-T881 PolarHBondContact O-OG1 3.44Å; P879-T881 VanDerWaalsContact O-OG1 3.08Å
880	V	44.3	Very low	56.2	Low	152 Å²	152	80.1 Å²	80.1	92%	0.921	39%	0.388	S	S	*	.	S	Bend	trans	39.4	-11.9	152.5	-171	0	0	0	0	120.4
881	T	46.1	Very low	55.9	Low	66 Å²	66	79 Å²	79	41%	0.405	38%	0.381	S	S	.	.	S	Bend	trans	-125.3	-0.2	-173.2	51.8	0	0	0	0	113.2	P879 R885	P879-T881 PolarHBondContact O-N 3.33Å; P879-T881 PolarHBondContact O-OG1 3.44Å; P879-T881 VanDerWaalsContact O-OG1 3.08Å; T881-R885 WeakPolarHBondContact O-CB 3.33Å; T881-R885 WeakPolarHBondContact O-CD 3.43Å; T881-R885 WeakPolarHBondContact O-CG 3.3Å; T881-R885 VanDerWaalsContact OG1-CZ 3.22Å; T881-R885 PolarHBondContact OG1-NH1 2.8Å; T881-R885 VanDerWaalsContact OG1-NH1 3.08Å; T881-R885 PolarHBondContact OG1-NH2 2.72Å
882	S	44.7	Very low	56.3	Low	36 Å²	36	78.9 Å²	78.9	25%	0.252	38%	0.383	S	S	.	.	H	α-helix	trans	-90.7	-33	-163.7	53.6	0	0	0	0	115.6	R878 R885 A886	R878-S882 PolarHBondContact O-OG 3.07Å; S882-R885 CarbonylContact O-C 3.46Å; S882-R885 WeakPolarHBondContact O-CB 3.47Å; S882-R885 PolarHBondContact O-N 2.91Å; S882-A886 WeakPolarHBondContact O-CB 3.23Å; S882-A886 PolarHBondContact O-N 3.4Å
883	A	43.9	Very low	56.9	Low	10 Å²	10	83.8 Å²	83.8	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-71	-47.7	-179.4	0	0	0	0	0	112.9	T873 P875 R885 A886 S887	T873-A883 WeakPolarHBondContact O-CB 3.47Å; P875-A883 HydrophobicContact CB-CB 4.44Å; P875-A883 HydrophobicContact CG-CB 4.02Å; A883-R885 PolarHBondContact O-N 3.47Å; A883-A886 WeakPolarHBondContact O-CA 3.43Å; A883-A886 WeakPolarHBondContact O-CB 3.21Å; A883-A886 PolarHBondContact O-N 3.3Å; A883-S887 PolarHBondContact O-N 3.31Å
884	F	52.2	Low	58	Low	73 Å²	73	82.8 Å²	82.8	32%	0.32	40%	0.395	S	S	.	.	H	α-helix	trans	-54.1	-45.3	167.7	175.6	-109.9	0	0	0	110.4	R143 A886 S887 L888	R143-F884 HydrophobicContact CB-CE2 4.26Å; R143-F884 HydrophobicContact CG-CD2 4.34Å; R143-F884 HydrophobicContact CG-CE1 4.37Å; R143-F884 HydrophobicContact CG-CE2 3.16Å; R143-F884 HydrophobicContact CG-CZ 3.18Å; F884-A886 VanDerWaalsContact C-N 3.28Å; F884-A886 PolarHBondContact O-N 3.21Å; F884-S887 PolarHBondContact O-N 3.16Å; F884-L888 HydrophobicContact CD2-CD1 4.38Å; F884-L888 HydrophobicContact CE1-CD1 3.97Å; F884-L888 HydrophobicContact CE1-CD2 3.83Å; F884-L888 HydrophobicContact CE1-CG 4.46Å; F884-L888 HydrophobicContact CE2-CD1 3.53Å; F884-L888 HydrophobicContact CZ-CD1 3.28Å; F884-L888 HydrophobicContact CZ-CD2 3.93Å; F884-L888 HydrophobicContact CZ-CG 4.2Å; F884-L888 VanDerWaalsContact O-CB 3.3Å; F884-L888 WeakPolarHBondContact O-CB 3.09Å; F884-L888 PolarHBondContact O-N 3.15Å
885	R	58.6	Low	59.9	Low	128 Å²	128	80.2 Å²	80.2	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-26.2	173.4	-77.6	173.9	-167.9	161.5	4	113.7	T881 S882 A883 R889	T881-R885 WeakPolarHBondContact O-CB 3.33Å; T881-R885 WeakPolarHBondContact O-CD 3.43Å; T881-R885 WeakPolarHBondContact O-CG 3.3Å; T881-R885 VanDerWaalsContact OG1-CZ 3.22Å; T881-R885 PolarHBondContact OG1-NH1 2.8Å; T881-R885 VanDerWaalsContact OG1-NH1 3.08Å; T881-R885 PolarHBondContact OG1-NH2 2.72Å; S882-R885 CarbonylContact O-C 3.46Å; S882-R885 WeakPolarHBondContact O-CB 3.47Å; S882-R885 PolarHBondContact O-N 2.91Å; A883-R885 PolarHBondContact O-N 3.47Å; R885-R889 WeakPolarHBondContact O-CB 3.43Å; R885-R889 WeakPolarHBondContact O-CG 3.26Å; R885-R889 PolarHBondContact O-N 3.23Å
886	A	59.8	Low	62.3	Low	23 Å²	23	81.5 Å²	81.5	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-76.6	-46.6	177.9	0	0	0	0	0	110.6	S882 A883 F884 L888 R889 Q890	S882-A886 WeakPolarHBondContact O-CB 3.23Å; S882-A886 PolarHBondContact O-N 3.4Å; A883-A886 WeakPolarHBondContact O-CA 3.43Å; A883-A886 WeakPolarHBondContact O-CB 3.21Å; A883-A886 PolarHBondContact O-N 3.3Å; F884-A886 VanDerWaalsContact C-N 3.28Å; F884-A886 PolarHBondContact O-N 3.21Å; A886-L888 VanDerWaalsContact C-N 3.29Å; A886-L888 PolarHBondContact O-N 3.04Å; A886-R889 PolarHBondContact O-N 3.01Å; A886-Q890 WeakPolarHBondContact O-CB 3.2Å; A886-Q890 VanDerWaalsContact O-CG 3.32Å; A886-Q890 WeakPolarHBondContact O-CG 3.42Å; A886-Q890 PolarHBondContact O-N 3.42Å
887	S	63.9	Low	64.5	Low	28 Å²	28	76 Å²	76	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-39.8	170.1	-57.3	0	0	0	0	110.8	A883 F884 Q890 A891	A883-S887 PolarHBondContact O-N 3.31Å; F884-S887 PolarHBondContact O-N 3.16Å; S887-Q890 PolarHBondContact O-N 3.32Å; S887-A891 WeakPolarHBondContact O-CB 3.42Å; S887-A891 PolarHBondContact O-N 2.96Å
888	L	71.4	Confident	67	Low	39 Å²	39	65.5 Å²	65.5	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-49.3	171.9	-125.4	68.4	0	0	0	112	F884 A886 Q890 A891 Q892	F884-L888 HydrophobicContact CD2-CD1 4.38Å; F884-L888 HydrophobicContact CE1-CD1 3.97Å; F884-L888 HydrophobicContact CE1-CD2 3.83Å; F884-L888 HydrophobicContact CE1-CG 4.46Å; F884-L888 HydrophobicContact CE2-CD1 3.53Å; F884-L888 HydrophobicContact CZ-CD1 3.28Å; F884-L888 HydrophobicContact CZ-CD2 3.93Å; F884-L888 HydrophobicContact CZ-CG 4.2Å; F884-L888 VanDerWaalsContact O-CB 3.3Å; F884-L888 WeakPolarHBondContact O-CB 3.09Å; F884-L888 PolarHBondContact O-N 3.15Å; A886-L888 VanDerWaalsContact C-N 3.29Å; A886-L888 PolarHBondContact O-N 3.04Å; L888-Q890 PolarHBondContact O-N 3.33Å; L888-A891 CarbonylContact O-C 3.48Å; L888-A891 WeakPolarHBondContact O-CA 3.36Å; L888-A891 WeakPolarHBondContact O-CB 3.47Å; L888-A891 PolarHBondContact O-N 3.47Å; L888-A891 VanDerWaalsContact O-N 3.1Å; L888-Q892 VanDerWaalsContact O-CG 3.3Å; L888-Q892 WeakPolarHBondContact O-CG 3.33Å; L888-Q892 PolarHBondContact O-N 2.99Å
889	R	75.9	Confident	70	Confident	151 Å²	151	55.1 Å²	55.1	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-58.2	-36.9	177	-86.4	-174.6	-127.2	164.8	-1.4	110.9	R885 A886 Q892 F893	R885-R889 WeakPolarHBondContact O-CB 3.43Å; R885-R889 WeakPolarHBondContact O-CG 3.26Å; R885-R889 PolarHBondContact O-N 3.23Å; A886-R889 PolarHBondContact O-N 3.01Å; R889-Q892 WeakPolarHBondContact O-CB 3.28Å; R889-Q892 PolarHBondContact O-N 3.28Å; R889-F893 WeakPolarHBondContact O-CD2 3.24Å; R889-F893 PolarHBondContact O-N 3.45Å
890	Q	75.5	Confident	72.4	Confident	29 Å²	29	54.4 Å²	54.4	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-39.3	176.1	-75.6	-167.5	-7.2	0	0	113	N830 R833 A886 S887 L888 Q892 F893 Y894	N830-Q890 PolarHBondContact OD1-OE1 3.4Å; R833-Q890 VanDerWaalsContact NH2-CD 3.31Å; A886-Q890 WeakPolarHBondContact O-CB 3.2Å; A886-Q890 VanDerWaalsContact O-CG 3.32Å; A886-Q890 WeakPolarHBondContact O-CG 3.42Å; A886-Q890 PolarHBondContact O-N 3.42Å; S887-Q890 PolarHBondContact O-N 3.32Å; L888-Q890 PolarHBondContact O-N 3.33Å; Q890-Q892 PolarHBondContact O-N 2.94Å; Q890-F893 PolarHBondContact O-N 2.98Å; Q890-Y894 WeakPolarHBondContact O-CB 3.42Å; Q890-Y894 PolarHBondContact O-N 3.08Å
891	A	77.6	Confident	74.4	Confident	10 Å²	10	47.9 Å²	47.9	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-39.7	168.2	0	0	0	0	0	110.9	S887 L888 A895	S887-A891 WeakPolarHBondContact O-CB 3.42Å; S887-A891 PolarHBondContact O-N 2.96Å; L888-A891 CarbonylContact O-C 3.48Å; L888-A891 WeakPolarHBondContact O-CA 3.36Å; L888-A891 WeakPolarHBondContact O-CB 3.47Å; L888-A891 PolarHBondContact O-N 3.47Å; L888-A891 VanDerWaalsContact O-N 3.1Å; A891-A895 WeakPolarHBondContact O-CB 3.48Å; A891-A895 PolarHBondContact O-N 2.9Å
892	Q	85.6	Confident	76.4	Confident	54 Å²	54	47.2 Å²	47.2	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-44.3	174.3	-60.3	-51.2	-39.8	0	0	112.5	Y131 A135 S139 L888 R889 Q890 A895 L896	Y131-Q892 PolarHBondContact OH-OE1 3.47Å; A135-Q892 VanDerWaalsContact CB-OE1 3.22Å; S139-Q892 PolarHBondContact OG-NE2 3.22Å; L888-Q892 VanDerWaalsContact O-CG 3.3Å; L888-Q892 WeakPolarHBondContact O-CG 3.33Å; L888-Q892 PolarHBondContact O-N 2.99Å; R889-Q892 WeakPolarHBondContact O-CB 3.28Å; R889-Q892 PolarHBondContact O-N 3.28Å; Q890-Q892 PolarHBondContact O-N 2.94Å; Q892-A895 PolarHBondContact O-N 3.03Å; Q892-L896 WeakPolarHBondContact O-CB 3.44Å; Q892-L896 PolarHBondContact O-N 3.36Å
893	F	86.6	Confident	78.6	Confident	127 Å²	127	45.5 Å²	45.5	56%	0.557	21%	0.213	S	C	*	.	H	α-helix	trans	-64.6	-39.6	176.8	-88	-69.4	0	0	0	112.4	R889 Q890 L896 S897	R889-F893 WeakPolarHBondContact O-CD2 3.24Å; R889-F893 PolarHBondContact O-N 3.45Å; Q890-F893 PolarHBondContact O-N 2.98Å; F893-L896 PolarHBondContact O-N 2.79Å; F893-S897 PolarHBondContact O-N 3.46Å
894	Y	86.6	Confident	80.7	Confident	22 Å²	22	45.5 Å²	45.5	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-48.7	172.1	168.3	-120.5	0	0	0	110.7	I134 D189 D823 K827 Q890 L896 S897 F898	I134-Y894 HydrophobicContact CG2-CD1 3.55Å; I134-Y894 HydrophobicContact CG2-CE1 3.44Å; I134-Y894 VanDerWaalsContact CG2-CE1 3.44Å; D189-Y894 PolarHBondContact OD2-OH 3.28Å; D823-Y894 WeakPolarHBondContact OD1-CD2 3.44Å; D823-Y894 VanDerWaalsContact OD1-CE2 3.24Å; D823-Y894 WeakPolarHBondContact OD1-CE2 3.34Å; K827-Y894 HydrophobicContact CB-CD2 4.49Å; K827-Y894 HydrophobicContact CB-CE2 4.32Å; K827-Y894 HydrophobicContact CD-CE2 4.32Å; Q890-Y894 WeakPolarHBondContact O-CB 3.42Å; Q890-Y894 PolarHBondContact O-N 3.08Å; Y894-L896 VanDerWaalsContact C-N 3.26Å; Y894-L896 PolarHBondContact O-N 2.9Å; Y894-S897 PolarHBondContact O-N 3.49Å; Y894-S897 VanDerWaalsContact O-N 3.16Å; Y894-F898 WeakPolarHBondContact O-CB 3.45Å; Y894-F898 PolarHBondContact O-N 3.41Å
895	A	91.2	Very high	82.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-39	176.9	0	0	0	0	0	112.4	Y131 I134 A135 A891 Q892 G899	Y131-A895 HydrophobicContact CD2-CB 3.74Å; Y131-A895 HydrophobicContact CE2-CB 4.06Å; I134-A895 HydrophobicContact CB-CB 3.88Å; I134-A895 HydrophobicContact CG2-CB 3.82Å; A135-A895 HydrophobicContact CB-CB 3.9Å; A891-A895 WeakPolarHBondContact O-CB 3.48Å; A891-A895 PolarHBondContact O-N 2.9Å; Q892-A895 PolarHBondContact O-N 3.03Å; A895-G899 PolarHBondContact O-N 2.92Å
896	L	92.3	Very high	83.5	Confident	79 Å²	79	37.1 Å²	37.1	41%	0.414	18%	0.179	S	C	.	.	H	α-helix	trans	-66.4	-45.4	177.6	-176	68.6	0	0	0	111.4	F127 Y131 Q892 F893 Y894 G899 F900	F127-L896 HydrophobicContact CE2-CD1 4.28Å; F127-L896 HydrophobicContact CZ-CD1 3.68Å; Y131-L896 HydrophobicContact CD2-CB 4.23Å; Y131-L896 HydrophobicContact CD2-CD1 4.48Å; Y131-L896 HydrophobicContact CE2-CB 4.31Å; Q892-L896 WeakPolarHBondContact O-CB 3.44Å; Q892-L896 PolarHBondContact O-N 3.36Å; F893-L896 PolarHBondContact O-N 2.79Å; Y894-L896 VanDerWaalsContact C-N 3.26Å; Y894-L896 PolarHBondContact O-N 2.9Å; L896-G899 PolarHBondContact O-N 3.49Å; L896-F900 WeakPolarHBondContact O-CB 3.48Å; L896-F900 PolarHBondContact O-N 3.03Å
897	S	89.7	Confident	84.9	Confident	15 Å²	15	38.9 Å²	38.9	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-43.4	176.8	-166.8	0	0	0	0	111.6	D823 F893 Y894 F900 S901	D823-S897 WeakPolarHBondContact CA-OG 3.34Å; D823-S897 PolarHBondContact N-OG 3.36Å; F893-S897 PolarHBondContact O-N 3.46Å; Y894-S897 PolarHBondContact O-N 3.49Å; Y894-S897 VanDerWaalsContact O-N 3.16Å; S897-F900 PolarHBondContact O-N 2.67Å; S897-S901 WeakPolarHBondContact O-CB 3.31Å; S897-S901 PolarHBondContact O-N 3.18Å
898	F	90.2	Very high	86	Confident	16 Å²	16	38 Å²	38	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-49.6	175.3	179.9	-99.5	0	0	0	110.5	I134 L193 Y894 F900 S901 Q902	I134-F898 HydrophobicContact CB-CD1 4.43Å; I134-F898 HydrophobicContact CD1-CD1 4.14Å; I134-F898 HydrophobicContact CD1-CE1 3.99Å; I134-F898 HydrophobicContact CD1-CZ 4.42Å; I134-F898 HydrophobicContact CG1-CB 4.45Å; I134-F898 HydrophobicContact CG1-CD1 3.31Å; I134-F898 HydrophobicContact CG1-CE1 3.59Å; I134-F898 HydrophobicContact CG1-CG 3.93Å; I134-F898 HydrophobicContact CG1-CZ 4.43Å; L193-F898 HydrophobicContact CD2-CZ 4.01Å; Y894-F898 WeakPolarHBondContact O-CB 3.45Å; Y894-F898 PolarHBondContact O-N 3.41Å; F898-F900 VanDerWaalsContact C-N 3.32Å; F898-F900 PolarHBondContact O-N 2.98Å; F898-S901 WeakPolarHBondContact O-CB 3.34Å; F898-S901 PolarHBondContact O-N 3.2Å; F898-S901 VanDerWaalsContact O-N 3.08Å; F898-S901 PolarHBondContact O-OG 2.74Å; F898-Q902 HydrophobicContact CD1-CG 4.21Å; F898-Q902 HydrophobicContact CE1-CG 3.82Å; F898-Q902 HydrophobicContact CE2-CG 4.12Å; F898-Q902 HydrophobicContact CZ-CG 3.77Å; F898-Q902 WeakPolarHBondContact O-CG 3.32Å; F898-Q902 PolarHBondContact O-N 2.75Å
899	G	91.9	Very high	86.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-37.5	-178.3	0	0	0	0	0	113.4	F127 S130 A895 L896 Q902 S903	F127-G899 VanDerWaalsContact CD2-C 3.48Å; F127-G899 WeakPolarHBondContact CD2-O 3.36Å; S130-G899 WeakPolarHBondContact OG-CA 3.35Å; A895-G899 PolarHBondContact O-N 2.92Å; L896-G899 PolarHBondContact O-N 3.49Å; G899-Q902 PolarHBondContact O-N 3.04Å; G899-S903 WeakPolarHBondContact O-CB 3.11Å; G899-S903 PolarHBondContact O-N 3.43Å; G899-S903 VanDerWaalsContact O-N 3.1Å; G899-S903 PolarHBondContact O-OG 3.34Å
900	F	91.6	Very high	87.3	Confident	85 Å²	85	29.5 Å²	29.5	37%	0.373	14%	0.142	S	C	.	.	H	α-helix	trans	-63.4	-42.9	171.9	-174	-111.2	0	0	0	112.1	F127 V815 L896 S897 F898 Q902 S903 V904	F127-F900 HydrophobicContact CD2-CB 4.5Å; F127-F900 HydrophobicContact CE2-CB 4.03Å; F127-F900 HydrophobicContact CE2-CD2 4.49Å; V815-F900 HydrophobicContact CG1-CZ 4.35Å; L896-F900 WeakPolarHBondContact O-CB 3.48Å; L896-F900 PolarHBondContact O-N 3.03Å; S897-F900 PolarHBondContact O-N 2.67Å; F898-F900 VanDerWaalsContact C-N 3.32Å; F898-F900 PolarHBondContact O-N 2.98Å; F900-Q902 VanDerWaalsContact C-N 3.29Å; F900-Q902 PolarHBondContact O-N 3.34Å; F900-S903 PolarHBondContact O-N 2.94Å; F900-S903 PolarHBondContact O-OG 3.32Å; F900-V904 HydrophobicContact CZ-CG2 4.34Å; F900-V904 PolarHBondContact O-N 3.19Å; F900-V904 VanDerWaalsContact O-N 3.11Å
901	S	87.7	Confident	88	Confident	15 Å²	15	31.7 Å²	31.7	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-35.7	178.7	78.7	0	0	0	0	112.9	S897 F898	S897-S901 WeakPolarHBondContact O-CB 3.31Å; S897-S901 PolarHBondContact O-N 3.18Å; F898-S901 WeakPolarHBondContact O-CB 3.34Å; F898-S901 PolarHBondContact O-N 3.2Å; F898-S901 VanDerWaalsContact O-N 3.08Å; F898-S901 PolarHBondContact O-OG 2.74Å
902	Q	88.1	Confident	88.3	Confident	52 Å²	52	31.3 Å²	31.3	24%	0.243	15%	0.151	C	C	.	.	H	α-helix	trans	-78.7	-30.7	179.7	-63.5	-55.9	-56.1	0	0	112.7	I126 F898 G899 F900 F906	I126-Q902 HydrophobicContact CG2-CB 4.12Å; F898-Q902 HydrophobicContact CD1-CG 4.21Å; F898-Q902 HydrophobicContact CE1-CG 3.82Å; F898-Q902 HydrophobicContact CE2-CG 4.12Å; F898-Q902 HydrophobicContact CZ-CG 3.77Å; F898-Q902 WeakPolarHBondContact O-CG 3.32Å; F898-Q902 PolarHBondContact O-N 2.75Å; G899-Q902 PolarHBondContact O-N 3.04Å; F900-Q902 VanDerWaalsContact C-N 3.29Å; F900-Q902 PolarHBondContact O-N 3.34Å; Q902-F906 WeakPolarHBondContact O-CE2 3.35Å
903	S	90.1	Very high	88.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-87.4	-27.5	-176.2	67	0	0	0	0	114.6	G123 G899 F900 I905 F906 F907	G123-S903 VanDerWaalsContact O-CB 3.31Å; G123-S903 WeakPolarHBondContact O-CB 3.47Å; G899-S903 WeakPolarHBondContact O-CB 3.11Å; G899-S903 PolarHBondContact O-N 3.43Å; G899-S903 VanDerWaalsContact O-N 3.1Å; G899-S903 PolarHBondContact O-OG 3.34Å; F900-S903 PolarHBondContact O-N 2.94Å; F900-S903 PolarHBondContact O-OG 3.32Å; S903-I905 PolarHBondContact O-N 3.13Å; S903-F906 PolarHBondContact O-N 3.08Å; S903-F907 WeakPolarHBondContact O-CD2 3.32Å
904	V	87.6	Confident	88.6	Confident	10 Å²	10	27.6 Å²	27.6	6%	0.061	13%	0.131	C	C	.	.	H	α-helix	trans	-55	-33.9	-171.6	79.3	0	0	0	0	113.1	V815 M816 F900 F906 F907 M908	V815-V904 HydrophobicContact CG1-CG2 4.06Å; M816-V904 HydrophobicContact CB-CG1 4.15Å; M816-V904 HydrophobicContact CG-CG1 4.18Å; F900-V904 HydrophobicContact CZ-CG2 4.34Å; F900-V904 PolarHBondContact O-N 3.19Å; F900-V904 VanDerWaalsContact O-N 3.11Å; V904-F906 VanDerWaalsContact C-N 3.34Å; V904-F906 PolarHBondContact O-N 2.86Å; V904-F907 PolarHBondContact O-N 3.31Å; V904-M908 HydrophobicContact CG1-CE 4.38Å; V904-M908 WeakPolarHBondContact O-CG 3.43Å; V904-M908 PolarHBondContact O-N 3.1Å
905	I	83.4	Confident	88.8	Confident	24 Å²	24	30.1 Å²	30.1	12%	0.123	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-34.6	-179.1	-164	157.3	0	0	0	113	W64 S903 M908 Y909	W64-I905 HydrophobicContact CH2-CD1 4.08Å; W64-I905 HydrophobicContact CH2-CG1 4.4Å; W64-I905 HydrophobicContact CH2-CG2 3.82Å; W64-I905 HydrophobicContact CZ2-CG2 3.77Å; S903-I905 PolarHBondContact O-N 3.13Å; I905-M908 HydrophobicContact CB-CE 4.3Å; I905-M908 HydrophobicContact CG1-CE 4.3Å; I905-M908 PolarHBondContact O-N 3.25Å; I905-Y909 HydrophobicContact CG1-CD1 4.48Å; I905-Y909 HydrophobicContact CG1-CE1 3.87Å; I905-Y909 HydrophobicContact CG1-CE2 4.04Å; I905-Y909 WeakPolarHBondContact O-CD1 3.46Å; I905-Y909 VanDerWaalsContact O-CG 3.25Å; I905-Y909 PolarHBondContact O-N 3.48Å
906	F	87.5	Confident	88.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.3	-38.8	178.2	-63	-91.1	0	0	0	111.4	W64 L67 I122 I126 Q902 S903 V904 Y909 A910	W64-F906 AromaticContact CD2-CZ 3.95Å; W64-F906 HydrophobicContact CD2-CZ 3.95Å; W64-F906 AromaticContact CE2-CZ 3.73Å; W64-F906 HydrophobicContact CE3-CZ 4.25Å; W64-F906 HydrophobicContact CG-CZ 4.48Å; W64-F906 HydrophobicContact CH2-CZ 4.17Å; W64-F906 HydrophobicContact CZ2-CE2 4.05Å; W64-F906 AromaticContact CZ2-CZ 3.87Å; W64-F906 HydrophobicContact CZ2-CZ 3.87Å; W64-F906 HydrophobicContact CZ3-CZ 4.36Å; L67-F906 HydrophobicContact CB-CE1 4.49Å; L67-F906 HydrophobicContact CD1-CD1 3.99Å; L67-F906 HydrophobicContact CD1-CE1 4.02Å; L67-F906 HydrophobicContact CD2-CD1 3.93Å; L67-F906 HydrophobicContact CD2-CE1 3.55Å; L67-F906 HydrophobicContact CG-CE1 4.22Å; I122-F906 HydrophobicContact CG2-CD1 3.78Å; I122-F906 HydrophobicContact CG2-CE1 3.78Å; I126-F906 HydrophobicContact CD1-CD1 4.2Å; I126-F906 HydrophobicContact CD1-CD2 3.96Å; I126-F906 HydrophobicContact CD1-CE1 3.54Å; I126-F906 HydrophobicContact CD1-CE2 3.3Å; I126-F906 HydrophobicContact CD1-CG 4.39Å; I126-F906 HydrophobicContact CD1-CZ 3.07Å; I126-F906 HydrophobicContact CG1-CE2 4.48Å; I126-F906 HydrophobicContact CG2-CE2 4.17Å; Q902-F906 WeakPolarHBondContact O-CE2 3.35Å; S903-F906 PolarHBondContact O-N 3.08Å; V904-F906 VanDerWaalsContact C-N 3.34Å; V904-F906 PolarHBondContact O-N 2.86Å; F906-Y909 PolarHBondContact O-N 3.49Å; F906-A910 PolarHBondContact O-N 3.23Å
907	F	89.3	Confident	88.4	Confident	60 Å²	60	26.4 Å²	26.4	26%	0.263	12%	0.121	S	C	.	.	H	α-helix	trans	-66.6	-39.5	174	-59	-52.9	0	0	0	111.7	V120 V124 S903 V904 Y909 A910 I911	V120-F907 HydrophobicContact CG1-CE1 4.33Å; V124-F907 HydrophobicContact CG2-CE1 4.01Å; V124-F907 HydrophobicContact CG2-CZ 4.02Å; S903-F907 WeakPolarHBondContact O-CD2 3.32Å; V904-F907 PolarHBondContact O-N 3.31Å; F907-Y909 VanDerWaalsContact C-N 3.32Å; F907-Y909 PolarHBondContact O-N 3.49Å; F907-A910 PolarHBondContact O-N 2.82Å; F907-I911 WeakPolarHBondContact O-CG1 3.39Å; F907-I911 PolarHBondContact O-N 3.44Å
908	M	86.1	Confident	88.4	Confident	11 Å²	11	31.9 Å²	31.9	5%	0.054	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-41.5	173.1	-71.5	-166.7	-67.4	0	0	111.8	L812 M816 V904 I905 I911 A912	L812-M908 HydrophobicContact CB-CG 3.88Å; L812-M908 HydrophobicContact CB-SD 3.67Å; L812-M908 HydrophobicContact CD1-CB 4.48Å; L812-M908 HydrophobicContact CD1-CG 4.11Å; M816-M908 HydrophobicContact CB-CE 3.77Å; M816-M908 HydrophobicContact CB-SD 4.36Å; M816-M908 HydrophobicContact CG-CE 4.06Å; M816-M908 HydrophobicContact SD-CE 3.73Å; V904-M908 HydrophobicContact CG1-CE 4.38Å; V904-M908 WeakPolarHBondContact O-CG 3.43Å; V904-M908 PolarHBondContact O-N 3.1Å; I905-M908 HydrophobicContact CB-CE 4.3Å; I905-M908 HydrophobicContact CG1-CE 4.3Å; I905-M908 PolarHBondContact O-N 3.25Å; M908-I911 PolarHBondContact O-N 2.98Å; M908-A912 WeakPolarHBondContact O-CB 3.5Å; M908-A912 PolarHBondContact O-N 3.08Å
909	Y	85.3	Confident	88.3	Confident	8 Å²	8	31.2 Å²	31.2	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-42.2	176.4	-66.9	-11.3	0	0	0	112.6	W64 L67 Y119 I905 F906 F907 I911 A912 F913 F934 T938	W64-Y909 HydrophobicContact CH2-CE2 4.37Å; W64-Y909 HydrophobicContact CZ3-CE2 4.29Å; L67-Y909 HydrophobicContact CD2-CD2 4.35Å; L67-Y909 HydrophobicContact CD2-CE2 4.45Å; Y119-Y909 HydrophobicContact CD1-CD2 4.35Å; Y119-Y909 AromaticContact CE1-CD2 3.88Å; Y119-Y909 HydrophobicContact CE1-CD2 3.88Å; Y119-Y909 HydrophobicContact CE1-CG 4.32Å; I905-Y909 HydrophobicContact CG1-CD1 4.48Å; I905-Y909 HydrophobicContact CG1-CE1 3.87Å; I905-Y909 HydrophobicContact CG1-CE2 4.04Å; I905-Y909 WeakPolarHBondContact O-CD1 3.46Å; I905-Y909 VanDerWaalsContact O-CG 3.25Å; I905-Y909 PolarHBondContact O-N 3.48Å; F906-Y909 PolarHBondContact O-N 3.49Å; F907-Y909 VanDerWaalsContact C-N 3.32Å; F907-Y909 PolarHBondContact O-N 3.49Å; Y909-I911 VanDerWaalsContact C-N 3.34Å; Y909-I911 PolarHBondContact O-N 3.22Å; Y909-A912 PolarHBondContact O-N 2.98Å; Y909-F913 WeakPolarHBondContact O-CD2 3.23Å; Y909-F913 PolarHBondContact O-N 3.29Å; Y909-F934 HydrophobicContact CD1-CD2 4.26Å; Y909-F934 AromaticContact CD1-CE2 3.33Å; Y909-F934 HydrophobicContact CD1-CE2 3.33Å; Y909-F934 AromaticContact CD1-CZ 3.97Å; Y909-F934 HydrophobicContact CD1-CZ 3.97Å; Y909-F934 HydrophobicContact CD2-CE2 4.08Å; Y909-F934 HydrophobicContact CD2-CZ 4.01Å; Y909-F934 AromaticContact CE1-CE2 3.65Å; Y909-F934 HydrophobicContact CE1-CE2 3.65Å; Y909-F934 AromaticContact CE1-CZ 3.96Å; Y909-F934 HydrophobicContact CE1-CZ 3.96Å; Y909-F934 HydrophobicContact CE2-CE2 4.35Å; Y909-F934 HydrophobicContact CE2-CZ 4.01Å; Y909-F934 AromaticContact CG-CE2 3.56Å; Y909-F934 HydrophobicContact CG-CE2 3.56Å; Y909-F934 AromaticContact CG-CZ 3.98Å; Y909-F934 HydrophobicContact CG-CZ 3.98Å; Y909-F934 AromaticContact CZ-CZ 3.99Å; Y909-T938 WeakPolarHBondContact CE1-OG1 3.49Å; Y909-T938 WeakPolarHBondContact OH-CG2 3.06Å; Y909-T938 PolarHBondContact OH-OG1 2.95Å
910	A	89.1	Confident	88	Confident	3 Å²	3	31.4 Å²	31.4	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-47.1	174.5	0	0	0	0	0	111.7	T116 V120 F906 F907 R914	T116-A910 HydrophobicContact CG2-CB 3.99Å; V120-A910 HydrophobicContact CG2-CB 3.69Å; F906-A910 PolarHBondContact O-N 3.23Å; F907-A910 PolarHBondContact O-N 2.82Å; A910-R914 VanDerWaalsContact O-CB 3.23Å; A910-R914 WeakPolarHBondContact O-CB 3.39Å; A910-R914 PolarHBondContact O-N 3.35Å
911	I	89.7	Confident	87.6	Confident	74 Å²	74	28.2 Å²	28.2	38%	0.379	13%	0.13	S	C	.	.	H	α-helix	trans	-63.4	-46.3	178.7	-65.1	164.6	0	0	0	110.6	V808 L812 F907 M908 Y909 R914 Y915	V808-I911 HydrophobicContact CG1-CG2 3.98Å; L812-I911 HydrophobicContact CD1-CB 4.2Å; L812-I911 HydrophobicContact CD1-CD1 3.91Å; L812-I911 HydrophobicContact CD1-CG2 4.01Å; L812-I911 HydrophobicContact CD2-CD1 4.36Å; F907-I911 WeakPolarHBondContact O-CG1 3.39Å; F907-I911 PolarHBondContact O-N 3.44Å; M908-I911 PolarHBondContact O-N 2.98Å; Y909-I911 VanDerWaalsContact C-N 3.34Å; Y909-I911 PolarHBondContact O-N 3.22Å; I911-R914 PolarHBondContact O-N 3.46Å; I911-Y915 WeakPolarHBondContact O-CB 3.22Å; I911-Y915 PolarHBondContact O-N 3.42Å
912	A	85.9	Confident	87.5	Confident	3 Å²	3	31.8 Å²	31.8	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-47.2	-178.9	0	0	0	0	0	112.1	V809 M908 Y909 G916	V809-A912 HydrophobicContact CG2-CB 3.93Å; M908-A912 WeakPolarHBondContact O-CB 3.5Å; M908-A912 PolarHBondContact O-N 3.08Å; Y909-A912 PolarHBondContact O-N 2.98Å; A912-G916 WeakPolarHBondContact O-CA 3.43Å; A912-G916 PolarHBondContact O-N 3.38Å
913	F	87.2	Confident	87.2	Confident	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-72.3	-35.7	179.4	-74.2	-59.4	0	0	0	113.2	M74 F78 I112 Y119 Y909 G917 V930 F934	M74-F913 HydrophobicContact CE-CD1 3.7Å; M74-F913 HydrophobicContact CE-CD2 3.72Å; M74-F913 HydrophobicContact CE-CE1 3.29Å; M74-F913 HydrophobicContact CE-CE2 3.3Å; M74-F913 HydrophobicContact CE-CG 3.92Å; M74-F913 HydrophobicContact CE-CZ 3.06Å; M74-F913 HydrophobicContact SD-CB 4.25Å; M74-F913 HydrophobicContact SD-CD1 3.71Å; M74-F913 HydrophobicContact SD-CD2 3.84Å; M74-F913 HydrophobicContact SD-CE1 3.97Å; M74-F913 HydrophobicContact SD-CE2 4.07Å; M74-F913 HydrophobicContact SD-CG 3.66Å; M74-F913 HydrophobicContact SD-CZ 4.14Å; F78-F913 HydrophobicContact CE2-CD1 4.28Å; F78-F913 HydrophobicContact CZ-CD1 4.41Å; I112-F913 WeakPolarHBondContact CG2-O 3.35Å; Y119-F913 HydrophobicContact CD2-CD2 4.48Å; Y119-F913 AromaticContact CE2-CD2 3.95Å; Y119-F913 HydrophobicContact CE2-CD2 3.95Å; Y119-F913 HydrophobicContact CE2-CE2 4.16Å; Y119-F913 AromaticContact CZ-CE2 3.88Å; Y909-F913 WeakPolarHBondContact O-CD2 3.23Å; Y909-F913 PolarHBondContact O-N 3.29Å; F913-G917 PolarHBondContact O-N 3.11Å; F913-V930 HydrophobicContact CD1-CG1 4.35Å; F913-F934 HydrophobicContact CD2-CD2 4.3Å; F913-F934 HydrophobicContact CD2-CE2 4.09Å; F913-F934 HydrophobicContact CE1-CB 4.15Å; F913-F934 HydrophobicContact CE1-CD1 4.34Å; F913-F934 AromaticContact CE1-CD2 3.9Å; F913-F934 HydrophobicContact CE1-CD2 3.9Å; F913-F934 HydrophobicContact CE1-CE2 4.39Å; F913-F934 AromaticContact CE1-CG 3.86Å; F913-F934 HydrophobicContact CE1-CG 3.86Å; F913-F934 HydrophobicContact CE2-CD1 4.35Å; F913-F934 AromaticContact CE2-CD2 3.42Å; F913-F934 HydrophobicContact CE2-CD2 3.42Å; F913-F934 VanDerWaalsContact CE2-CD2 3.42Å; F913-F934 HydrophobicContact CE2-CE1 4.1Å; F913-F934 AromaticContact CE2-CE2 3.09Å; F913-F934 HydrophobicContact CE2-CE2 3.09Å; F913-F934 HydrophobicContact CE2-CG 4.03Å; F913-F934 AromaticContact CE2-CZ 3.49Å; F913-F934 HydrophobicContact CE2-CZ 3.49Å; F913-F934 VanDerWaalsContact CE2-CZ 3.49Å; F913-F934 HydrophobicContact CZ-CB 4.09Å; F913-F934 AromaticContact CZ-CD1 3.55Å; F913-F934 HydrophobicContact CZ-CD1 3.55Å; F913-F934 AromaticContact CZ-CD2 3.17Å; F913-F934 HydrophobicContact CZ-CD2 3.17Å; F913-F934 AromaticContact CZ-CE1 3.67Å; F913-F934 HydrophobicContact CZ-CE1 3.67Å; F913-F934 AromaticContact CZ-CE2 3.29Å; F913-F934 HydrophobicContact CZ-CE2 3.29Å; F913-F934 AromaticContact CZ-CG 3.29Å; F913-F934 HydrophobicContact CZ-CG 3.29Å; F913-F934 AromaticContact CZ-CZ 3.54Å; F913-F934 HydrophobicContact CZ-CZ 3.54Å
914	R	90.7	Very high	86.9	Confident	102 Å²	102	35.4 Å²	35.4	39%	0.385	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-46.9	177	-179.6	55.9	-178.7	154.5	3.7	111.5	T116 A910 I911 Y918	T116-R914 HydrophobicContact CG2-CB 3.86Å; T116-R914 HydrophobicContact CG2-CG 4.44Å; A910-R914 VanDerWaalsContact O-CB 3.23Å; A910-R914 WeakPolarHBondContact O-CB 3.39Å; A910-R914 PolarHBondContact O-N 3.35Å; I911-R914 PolarHBondContact O-N 3.46Å; R914-Y918 PolarHBondContact O-N 3.47Å; R914-Y918 VanDerWaalsContact O-N 3.12Å
915	Y	90.3	Very high	86.7	Confident	75 Å²	75	35.9 Å²	35.9	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-71.6	-41.3	178.6	-170.9	-116.8	0	0	0	111.6	K804 L805 V808 I911 G917 Y918 L919	K804-Y915 HydrophobicContact CB-CE1 4.41Å; L805-Y915 HydrophobicContact CD1-CD1 3.75Å; V808-Y915 HydrophobicContact CB-CD1 4.38Å; V808-Y915 HydrophobicContact CG2-CD1 3.88Å; V808-Y915 HydrophobicContact CG2-CE1 3.7Å; I911-Y915 WeakPolarHBondContact O-CB 3.22Å; I911-Y915 PolarHBondContact O-N 3.42Å; Y915-G917 PolarHBondContact O-N 3.36Å; Y915-Y918 HydrophobicContact CD2-CD1 4.49Å; Y915-Y918 HydrophobicContact CE2-CD1 4.37Å; Y915-Y918 WeakPolarHBondContact O-CB 3.18Å; Y915-Y918 PolarHBondContact O-N 2.97Å; Y915-L919 HydrophobicContact CD1-CD1 4.03Å; Y915-L919 HydrophobicContact CD1-CG 4.48Å; Y915-L919 HydrophobicContact CE1-CD1 3.71Å; Y915-L919 HydrophobicContact CE1-CD2 4.44Å; Y915-L919 HydrophobicContact CE1-CG 4.19Å; Y915-L919 WeakPolarHBondContact O-CG 3.23Å; Y915-L919 PolarHBondContact O-N 2.65Å
916	G	88.5	Confident	86.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175	0	0	0	0	0	112.9	A912 Y918 L919 V920	A912-G916 WeakPolarHBondContact O-CA 3.43Å; A912-G916 PolarHBondContact O-N 3.38Å; G916-Y918 VanDerWaalsContact C-N 3.33Å; G916-Y918 PolarHBondContact O-N 3.4Å; G916-L919 PolarHBondContact O-N 3.05Å; G916-V920 WeakPolarHBondContact O-CG2 3.34Å; G916-V920 PolarHBondContact O-N 3.34Å
917	G	87.4	Confident	86.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-32.3	175.3	0	0	0	0	0	113.4	F913 Y915 V920 G921	F913-G917 PolarHBondContact O-N 3.11Å; Y915-G917 PolarHBondContact O-N 3.36Å; G917-V920 PolarHBondContact O-N 3.44Å; G917-G921 PolarHBondContact O-N 3.47Å
918	Y	89.1	Confident	85.4	Confident	129 Å²	129	38.1 Å²	38.1	51%	0.506	19%	0.19	S	C	.	.	H	α-helix	trans	-64.3	-46.1	171.6	173.3	-99.1	0	0	0	111.8	R914 Y915 G916 V920 G921 I922	R914-Y918 PolarHBondContact O-N 3.47Å; R914-Y918 VanDerWaalsContact O-N 3.12Å; Y915-Y918 HydrophobicContact CD2-CD1 4.49Å; Y915-Y918 HydrophobicContact CE2-CD1 4.37Å; Y915-Y918 WeakPolarHBondContact O-CB 3.18Å; Y915-Y918 PolarHBondContact O-N 2.97Å; G916-Y918 VanDerWaalsContact C-N 3.33Å; G916-Y918 PolarHBondContact O-N 3.4Å; Y918-V920 VanDerWaalsContact C-N 3.28Å; Y918-V920 PolarHBondContact O-N 2.92Å; Y918-G921 PolarHBondContact O-N 2.85Å; Y918-G921 VanDerWaalsContact O-N 3.11Å; Y918-I922 HydrophobicContact CE1-CD1 4.07Å; Y918-I922 HydrophobicContact CE1-CG2 4.46Å; Y918-I922 HydrophobicContact CE2-CG2 4.14Å; Y918-I922 PolarHBondContact O-N 2.84Å; Y918-I922 VanDerWaalsContact O-N 3.12Å
919	L	88.5	Confident	85.1	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-36.8	177	-68.7	175.2	0	0	0	112.5	K804 L805 Y915 G916 I922 G923 D924 M925	K804-L919 HydrophobicContact CB-CD1 4.27Å; K804-L919 HydrophobicContact CD-CD2 4.24Å; L805-L919 HydrophobicContact CB-CD1 4.13Å; Y915-L919 HydrophobicContact CD1-CD1 4.03Å; Y915-L919 HydrophobicContact CD1-CG 4.48Å; Y915-L919 HydrophobicContact CE1-CD1 3.71Å; Y915-L919 HydrophobicContact CE1-CD2 4.44Å; Y915-L919 HydrophobicContact CE1-CG 4.19Å; Y915-L919 WeakPolarHBondContact O-CG 3.23Å; Y915-L919 PolarHBondContact O-N 2.65Å; G916-L919 PolarHBondContact O-N 3.05Å; L919-I922 HydrophobicContact CD2-CD1 4.2Å; L919-I922 VanDerWaalsContact O-CG1 3.26Å; L919-I922 WeakPolarHBondContact O-CG1 3.21Å; L919-G923 PolarHBondContact O-N 3.5Å; L919-D924 PolarHBondContact O-N 2.66Å; L919-M925 HydrophobicContact CB-CB 4.06Å; L919-M925 HydrophobicContact CD1-SD 4.23Å; L919-M925 PolarHBondContact O-N 3.25Å
920	V	86.2	Confident	84.9	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-42.4	173.5	172.7	0	0	0	0	111.2	F78 F108 G916 G917 Y918 I922 G923 M925 P927 V930	F78-V920 HydrophobicContact CE1-CG2 4.44Å; F108-V920 HydrophobicContact CD1-CG1 4.39Å; F108-V920 HydrophobicContact CE1-CB 3.9Å; F108-V920 HydrophobicContact CE1-CG1 3.62Å; F108-V920 HydrophobicContact CZ-CB 4.2Å; F108-V920 HydrophobicContact CZ-CG1 3.83Å; G916-V920 WeakPolarHBondContact O-CG2 3.34Å; G916-V920 PolarHBondContact O-N 3.34Å; G917-V920 PolarHBondContact O-N 3.44Å; Y918-V920 VanDerWaalsContact C-N 3.28Å; Y918-V920 PolarHBondContact O-N 2.92Å; V920-I922 VanDerWaalsContact C-N 3.27Å; V920-I922 PolarHBondContact O-N 3.47Å; V920-G923 PolarHBondContact O-N 3.03Å; V920-M925 WeakPolarHBondContact CA-O 3.4Å; V920-M925 WeakPolarHBondContact CG2-O 3.48Å; V920-P927 HydrophobicContact CG1-CB 4.34Å; V920-P927 HydrophobicContact CG1-CG 3.74Å; V920-V930 HydrophobicContact CG2-CG2 3.53Å
921	G	83	Confident	84.2	Confident	17 Å²	17	38.4 Å²	38.4	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-31.2	179.7	0	0	0	0	0	113.9	G917 Y918	G917-G921 PolarHBondContact O-N 3.47Å; Y918-G921 PolarHBondContact O-N 2.85Å; Y918-G921 VanDerWaalsContact O-N 3.11Å
922	I	85.5	Confident	83.5	Confident	90 Å²	90	36.8 Å²	36.8	46%	0.462	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1	174.8	65.7	172.6	0	0	0	113.6	Y918 L919 V920 D924	Y918-I922 HydrophobicContact CE1-CD1 4.07Å; Y918-I922 HydrophobicContact CE1-CG2 4.46Å; Y918-I922 HydrophobicContact CE2-CG2 4.14Å; Y918-I922 PolarHBondContact O-N 2.84Å; Y918-I922 VanDerWaalsContact O-N 3.12Å; L919-I922 HydrophobicContact CD2-CD1 4.2Å; L919-I922 VanDerWaalsContact O-CG1 3.26Å; L919-I922 WeakPolarHBondContact O-CG1 3.21Å; V920-I922 VanDerWaalsContact C-N 3.27Å; V920-I922 PolarHBondContact O-N 3.47Å; I922-D924 VanDerWaalsContact C-N 3.34Å; I922-D924 HydrophobicContact CD1-CB 3.87Å; I922-D924 HydrophobicContact CG1-CB 3.83Å; I922-D924 PolarHBondContact O-N 2.77Å
923	G	80.4	Confident	83	Confident	48 Å²	48	36.8 Å²	36.8	50%	0.495	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	8.1	178.9	0	0	0	0	0	115.9	L919 V920	L919-G923 PolarHBondContact O-N 3.5Å; V920-G923 PolarHBondContact O-N 3.03Å
924	D	83.9	Confident	82.5	Confident	80 Å²	80	37.1 Å²	37.1	43%	0.428	18%	0.182	S	C	.	.	S	Bend	trans	-81.8	-17.6	-175.7	-172	63.3	0	0	0	112.8	K804 L919 I922	K804-D924 VanDerWaalsContact CD-OD2 3.28Å; K804-D924 WeakPolarHBondContact CD-OD2 3.28Å; K804-D924 WeakPolarHBondContact CE-OD2 3.46Å; K804-D924 IonicContact NZ-OD1 3.55Å; K804-D924 PolarHBondContact NZ-OD1 2.92Å; K804-D924 IonicContact NZ-OD2 2.66Å; K804-D924 PolarHBondContact NZ-OD2 3.06Å; L919-D924 PolarHBondContact O-N 2.66Å; I922-D924 VanDerWaalsContact C-N 3.34Å; I922-D924 HydrophobicContact CD1-CB 3.87Å; I922-D924 HydrophobicContact CG1-CB 3.83Å; I922-D924 PolarHBondContact O-N 2.77Å
925	M	82.9	Confident	81.7	Confident	20 Å²	20	32.6 Å²	32.6	10%	0.099	17%	0.165	C	C	.	.	S	Bend	trans	-143.3	145.1	178.5	-140.8	172.5	73.4	0	0	111.2	L805 L919 V920 D929 V930	L805-M925 HydrophobicContact CB-SD 4.46Å; L805-M925 HydrophobicContact CD2-CE 3.82Å; L919-M925 HydrophobicContact CB-CB 4.06Å; L919-M925 HydrophobicContact CD1-SD 4.23Å; L919-M925 PolarHBondContact O-N 3.25Å; V920-M925 WeakPolarHBondContact CA-O 3.4Å; V920-M925 WeakPolarHBondContact CG2-O 3.48Å; M925-D929 HydrophobicContact CG-CB 4.35Å; M925-V930 HydrophobicContact CE-CB 3.97Å; M925-V930 HydrophobicContact CE-CG2 3.22Å
926	K	80.2	Confident	80.9	Confident	123 Å²	123	29.1 Å²	29.1	54%	0.535	15%	0.152	S	C	.	.			trans	-74.3	143.6	177.7	-64.3	176.4	179	176	0	110.7	L928 D929	K926-L928 VanDerWaalsContact C-N 3.26Å; K926-L928 PolarHBondContact O-N 3.48Å; K926-D929 HydrophobicContact CB-CB 4.47Å; K926-D929 WeakPolarHBondContact CB-OD2 3.43Å; K926-D929 PolarHBondContact O-N 3.4Å
927	P	79	Confident	80	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-47.5	-44.8	177.2	-27.4	29.4	0	0	0	114.1	F78 A81 Q82 T87 V920 V930	F78-P927 HydrophobicContact CD1-CB 3.95Å; F78-P927 WeakPolarHBondContact CD1-O 3.12Å; A81-P927 HydrophobicContact CB-CB 4.47Å; A81-P927 HydrophobicContact CB-CG 4.18Å; Q82-P927 HydrophobicContact CB-CB 4.31Å; Q82-P927 HydrophobicContact CB-CG 4.37Å; Q82-P927 VanDerWaalsContact OE1-CD 3.29Å; T87-P927 HydrophobicContact CG2-CG 4.14Å; V920-P927 HydrophobicContact CG1-CB 4.34Å; V920-P927 HydrophobicContact CG1-CG 3.74Å; P927-V930 WeakPolarHBondContact O-CB 3.47Å; P927-V930 PolarHBondContact O-N 3.32Å
928	L	74.7	Confident	79.3	Confident	9 Å²	9	30.8 Å²	30.8	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-75.2	-22.4	-178.3	-69.9	178.8	0	0	0	114.7	Q82 F710 Y711 K926 V930 Y931 R932	Q82-L928 HydrophobicContact CB-CG 4.48Å; Q82-L928 HydrophobicContact CG-CD1 3.84Å; Q82-L928 HydrophobicContact CG-CG 4.05Å; F710-L928 HydrophobicContact CD2-CD1 4.2Å; F710-L928 HydrophobicContact CD2-CD2 3.45Å; F710-L928 VanDerWaalsContact CD2-CD2 3.45Å; F710-L928 HydrophobicContact CD2-CG 4.48Å; F710-L928 HydrophobicContact CE2-CD2 3.53Å; F710-L928 HydrophobicContact CG-CD2 4.29Å; F710-L928 HydrophobicContact CZ-CD2 4.41Å; Y711-L928 HydrophobicContact CD2-CD1 4.42Å; Y711-L928 HydrophobicContact CE2-CD1 3.29Å; Y711-L928 WeakPolarHBondContact OH-CD1 3.41Å; K926-L928 VanDerWaalsContact C-N 3.26Å; K926-L928 PolarHBondContact O-N 3.48Å; L928-V930 VanDerWaalsContact C-N 3.31Å; L928-Y931 WeakPolarHBondContact O-CB 3.1Å; L928-Y931 PolarHBondContact O-N 2.93Å; L928-R932 PolarHBondContact O-N 3.36Å
929	D	78.8	Confident	78.5	Confident	24 Å²	24	25.3 Å²	25.3	13%	0.128	14%	0.14	C	C	.	.	H	α-helix	trans	-72.2	-27.8	176.5	-69.1	-34.2	0	0	0	111.3	M925 K926 Y931 R932 F933	M925-D929 HydrophobicContact CG-CB 4.35Å; K926-D929 HydrophobicContact CB-CB 4.47Å; K926-D929 WeakPolarHBondContact CB-OD2 3.43Å; K926-D929 PolarHBondContact O-N 3.4Å; D929-Y931 VanDerWaalsContact C-N 3.27Å; D929-Y931 PolarHBondContact O-N 2.98Å; D929-R932 WeakPolarHBondContact O-CB 3.44Å; D929-R932 PolarHBondContact O-N 3.09Å; D929-R932 WeakPolarHBondContact OD1-CD 3.33Å; D929-R932 IonicContact OD1-CZ 3.58Å; D929-R932 IonicContact OD1-NE 3.82Å; D929-R932 IonicContact OD1-NH1 2.77Å; D929-R932 PolarHBondContact OD1-NH1 2.97Å; D929-F933 WeakPolarHBondContact O-CB 3.38Å; D929-F933 PolarHBondContact O-N 3.34Å; D929-F933 VanDerWaalsContact O-N 3.08Å
930	V	81.4	Confident	77.5	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-42.7	168.8	-179.1	0	0	0	0	110.3	F78 L805 F913 V920 M925 P927 L928 F933 F934	F78-V930 HydrophobicContact CE1-CB 4.02Å; F78-V930 HydrophobicContact CE1-CG1 4.13Å; F78-V930 HydrophobicContact CE1-CG2 4.1Å; F78-V930 HydrophobicContact CZ-CB 4.49Å; F78-V930 HydrophobicContact CZ-CG1 4.1Å; L805-V930 HydrophobicContact CD2-CG1 4.29Å; F913-V930 HydrophobicContact CD1-CG1 4.35Å; V920-V930 HydrophobicContact CG2-CG2 3.53Å; M925-V930 HydrophobicContact CE-CB 3.97Å; M925-V930 HydrophobicContact CE-CG2 3.22Å; P927-V930 WeakPolarHBondContact O-CB 3.47Å; P927-V930 PolarHBondContact O-N 3.32Å; L928-V930 VanDerWaalsContact C-N 3.31Å; V930-F933 PolarHBondContact O-N 2.94Å; V930-F934 WeakPolarHBondContact O-CB 3.21Å; V930-F934 PolarHBondContact O-N 3.06Å
931	Y	74.6	Confident	76.6	Confident	1 Å²	1	26 Å²	26	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-71.4	-39	-178.8	-107.2	-73.3	0	0	0	113.1	T71 M74 T75 F78 L928 D929 F933 F934 F935	T71-Y931 PolarHBondContact O-OH 3.02Å; M74-Y931 VanDerWaalsContact CE-OH 3.26Å; M74-Y931 WeakPolarHBondContact CE-OH 3.39Å; T75-Y931 WeakPolarHBondContact CA-OH 3.4Å; T75-Y931 WeakPolarHBondContact CB-OH 3.3Å; T75-Y931 HydrophobicContact CG2-CE1 4.48Å; T75-Y931 HydrophobicContact CG2-CE2 4.39Å; T75-Y931 PolarHBondContact N-OH 2.93Å; T75-Y931 VanDerWaalsContact N-OH 3.09Å; T75-Y931 PolarHBondContact OG1-OH 3.34Å; F78-Y931 HydrophobicContact CB-CD2 3.96Å; F78-Y931 HydrophobicContact CB-CE2 3.81Å; F78-Y931 HydrophobicContact CD1-CD2 4.32Å; F78-Y931 HydrophobicContact CD2-CD2 4.04Å; F78-Y931 AromaticContact CD2-CE2 3.47Å; F78-Y931 HydrophobicContact CD2-CE2 3.47Å; F78-Y931 VanDerWaalsContact CD2-CE2 3.47Å; F78-Y931 HydrophobicContact CE2-CE2 4.1Å; F78-Y931 AromaticContact CG-CD2 3.88Å; F78-Y931 HydrophobicContact CG-CD2 3.88Å; F78-Y931 AromaticContact CG-CE2 3.71Å; F78-Y931 HydrophobicContact CG-CE2 3.71Å; L928-Y931 WeakPolarHBondContact O-CB 3.1Å; L928-Y931 PolarHBondContact O-N 2.93Å; D929-Y931 VanDerWaalsContact C-N 3.27Å; D929-Y931 PolarHBondContact O-N 2.98Å; Y931-F933 VanDerWaalsContact C-N 3.3Å; Y931-F933 PolarHBondContact O-N 2.65Å; Y931-F934 PolarHBondContact O-N 2.59Å; Y931-F935 AromaticContact CD1-CD2 3.85Å; Y931-F935 HydrophobicContact CD1-CD2 3.85Å; Y931-F935 AromaticContact CD1-CE2 3.22Å; Y931-F935 HydrophobicContact CD1-CE2 3.22Å; Y931-F935 AromaticContact CD1-CZ 3.87Å; Y931-F935 HydrophobicContact CD1-CZ 3.87Å; Y931-F935 AromaticContact CE1-CE2 3.54Å; Y931-F935 HydrophobicContact CE1-CE2 3.54Å; Y931-F935 AromaticContact CE1-CZ 3.7Å; Y931-F935 HydrophobicContact CE1-CZ 3.7Å; Y931-F935 HydrophobicContact CG-CE2 4.44Å; Y931-F935 WeakPolarHBondContact O-CD2 3.44Å; Y931-F935 PolarHBondContact O-N 3.41Å; Y931-F935 VanDerWaalsContact O-N 3.09Å
932	R	74.5	Confident	76	Confident	40 Å²	40	28.7 Å²	28.7	15%	0.151	16%	0.155	C	C	.	.	H	α-helix	trans	-52.4	-53.1	169.6	-79.2	175.3	-177.3	163	-0.5	110.9	S707 L928 D929 A936	S707-R932 WeakPolarHBondContact OG-CG 3.34Å; S707-R932 PolarHBondContact OG-NE 3.42Å; L928-R932 PolarHBondContact O-N 3.36Å; D929-R932 WeakPolarHBondContact O-CB 3.44Å; D929-R932 PolarHBondContact O-N 3.09Å; D929-R932 WeakPolarHBondContact OD1-CD 3.33Å; D929-R932 IonicContact OD1-CZ 3.58Å; D929-R932 IonicContact OD1-NE 3.82Å; D929-R932 IonicContact OD1-NH1 2.77Å; D929-R932 PolarHBondContact OD1-NH1 2.97Å; R932-A936 WeakPolarHBondContact O-CB 3.41Å; R932-A936 PolarHBondContact O-N 3.47Å
933	F	76.1	Confident	75.1	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-48.8	-178.6	178.6	-87.3	0	0	0	111.4	A798 L805 A806 V809 D929 V930 Y931 F935 A936 L937	A798-F933 HydrophobicContact CB-CD2 3.79Å; A798-F933 HydrophobicContact CB-CE2 3.42Å; A798-F933 VanDerWaalsContact CB-CE2 3.42Å; A798-F933 HydrophobicContact CB-CZ 4.47Å; L805-F933 HydrophobicContact CD2-CB 4.02Å; L805-F933 HydrophobicContact CD2-CD1 3.38Å; L805-F933 HydrophobicContact CD2-CE1 4.13Å; L805-F933 HydrophobicContact CD2-CG 3.72Å; L805-F933 HydrophobicContact CG-CD1 3.54Å; L805-F933 HydrophobicContact CG-CE1 3.76Å; L805-F933 HydrophobicContact CG-CG 4Å; L805-F933 HydrophobicContact CG-CZ 4.38Å; A806-F933 HydrophobicContact CB-CD2 4.28Å; A806-F933 HydrophobicContact CB-CE2 3.57Å; A806-F933 HydrophobicContact CB-CZ 4.34Å; V809-F933 HydrophobicContact CB-CE1 3.78Å; V809-F933 HydrophobicContact CB-CZ 3.63Å; V809-F933 HydrophobicContact CG1-CE1 3.82Å; V809-F933 HydrophobicContact CG1-CZ 3.73Å; V809-F933 HydrophobicContact CG2-CE1 3.71Å; V809-F933 HydrophobicContact CG2-CZ 4.07Å; D929-F933 WeakPolarHBondContact O-CB 3.38Å; D929-F933 PolarHBondContact O-N 3.34Å; D929-F933 VanDerWaalsContact O-N 3.08Å; V930-F933 PolarHBondContact O-N 2.94Å; Y931-F933 VanDerWaalsContact C-N 3.3Å; Y931-F933 PolarHBondContact O-N 2.65Å; F933-F935 PolarHBondContact O-N 3.13Å; F933-A936 PolarHBondContact O-N 3.39Å; F933-L937 HydrophobicContact CE1-CB 4.47Å; F933-L937 PolarHBondContact O-N 3.1Å
934	F	76.1	Confident	74.4	Confident	8 Å²	8	24.1 Å²	24.1	4%	0.035	12%	0.122	C	C	.	.	H	α-helix	trans	-56.6	-48.2	-178.9	174.6	-100	0	0	0	113.1	Y909 F913 V930 Y931 L937 T938	Y909-F934 HydrophobicContact CD1-CD2 4.26Å; Y909-F934 AromaticContact CD1-CE2 3.33Å; Y909-F934 HydrophobicContact CD1-CE2 3.33Å; Y909-F934 AromaticContact CD1-CZ 3.97Å; Y909-F934 HydrophobicContact CD1-CZ 3.97Å; Y909-F934 HydrophobicContact CD2-CE2 4.08Å; Y909-F934 HydrophobicContact CD2-CZ 4.01Å; Y909-F934 AromaticContact CE1-CE2 3.65Å; Y909-F934 HydrophobicContact CE1-CE2 3.65Å; Y909-F934 AromaticContact CE1-CZ 3.96Å; Y909-F934 HydrophobicContact CE1-CZ 3.96Å; Y909-F934 HydrophobicContact CE2-CE2 4.35Å; Y909-F934 HydrophobicContact CE2-CZ 4.01Å; Y909-F934 AromaticContact CG-CE2 3.56Å; Y909-F934 HydrophobicContact CG-CE2 3.56Å; Y909-F934 AromaticContact CG-CZ 3.98Å; Y909-F934 HydrophobicContact CG-CZ 3.98Å; Y909-F934 AromaticContact CZ-CZ 3.99Å; F913-F934 HydrophobicContact CD2-CD2 4.3Å; F913-F934 HydrophobicContact CD2-CE2 4.09Å; F913-F934 HydrophobicContact CE1-CB 4.15Å; F913-F934 HydrophobicContact CE1-CD1 4.34Å; F913-F934 AromaticContact CE1-CD2 3.9Å; F913-F934 HydrophobicContact CE1-CD2 3.9Å; F913-F934 HydrophobicContact CE1-CE2 4.39Å; F913-F934 AromaticContact CE1-CG 3.86Å; F913-F934 HydrophobicContact CE1-CG 3.86Å; F913-F934 HydrophobicContact CE2-CD1 4.35Å; F913-F934 AromaticContact CE2-CD2 3.42Å; F913-F934 HydrophobicContact CE2-CD2 3.42Å; F913-F934 VanDerWaalsContact CE2-CD2 3.42Å; F913-F934 HydrophobicContact CE2-CE1 4.1Å; F913-F934 AromaticContact CE2-CE2 3.09Å; F913-F934 HydrophobicContact CE2-CE2 3.09Å; F913-F934 HydrophobicContact CE2-CG 4.03Å; F913-F934 AromaticContact CE2-CZ 3.49Å; F913-F934 HydrophobicContact CE2-CZ 3.49Å; F913-F934 VanDerWaalsContact CE2-CZ 3.49Å; F913-F934 HydrophobicContact CZ-CB 4.09Å; F913-F934 AromaticContact CZ-CD1 3.55Å; F913-F934 HydrophobicContact CZ-CD1 3.55Å; F913-F934 AromaticContact CZ-CD2 3.17Å; F913-F934 HydrophobicContact CZ-CD2 3.17Å; F913-F934 AromaticContact CZ-CE1 3.67Å; F913-F934 HydrophobicContact CZ-CE1 3.67Å; F913-F934 AromaticContact CZ-CE2 3.29Å; F913-F934 HydrophobicContact CZ-CE2 3.29Å; F913-F934 AromaticContact CZ-CG 3.29Å; F913-F934 HydrophobicContact CZ-CG 3.29Å; F913-F934 AromaticContact CZ-CZ 3.54Å; F913-F934 HydrophobicContact CZ-CZ 3.54Å; V930-F934 WeakPolarHBondContact O-CB 3.21Å; V930-F934 PolarHBondContact O-N 3.06Å; Y931-F934 PolarHBondContact O-N 2.59Å; F934-L937 PolarHBondContact O-N 3.42Å; F934-T938 WeakPolarHBondContact O-CB 3.45Å; F934-T938 PolarHBondContact O-N 3.02Å; F934-T938 PolarHBondContact O-OG1 3.35Å
935	F	75.3	Confident	73.4	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-73.9	-34.6	-179.1	-72	-53.7	0	0	0	112.8	F333 F706 Y931 F933 L937 T938 F939	F333-F935 AromaticContact CE1-CE1 3.98Å; F333-F935 HydrophobicContact CE1-CE1 3.98Å; F333-F935 AromaticContact CE2-CE1 3.85Å; F333-F935 HydrophobicContact CE2-CE1 3.85Å; F333-F935 AromaticContact CE2-CZ 3.67Å; F333-F935 HydrophobicContact CE2-CZ 3.67Å; F333-F935 HydrophobicContact CZ-CD1 4.17Å; F333-F935 AromaticContact CZ-CE1 3.2Å; F333-F935 HydrophobicContact CZ-CE1 3.2Å; F333-F935 HydrophobicContact CZ-CE2 4.46Å; F333-F935 AromaticContact CZ-CZ 3.38Å; F333-F935 HydrophobicContact CZ-CZ 3.38Å; F706-F935 AromaticContact CD1-CD2 3.38Å; F706-F935 HydrophobicContact CD1-CD2 3.38Å; F706-F935 AromaticContact CD1-CE2 3.36Å; F706-F935 HydrophobicContact CD1-CE2 3.36Å; F706-F935 HydrophobicContact CD1-CG 4.06Å; F706-F935 HydrophobicContact CD1-CZ 4.07Å; F706-F935 AromaticContact CE1-CD2 3.7Å; F706-F935 HydrophobicContact CE1-CD2 3.7Å; F706-F935 HydrophobicContact CE1-CE1 4.14Å; F706-F935 AromaticContact CE1-CE2 3.17Å; F706-F935 HydrophobicContact CE1-CE2 3.17Å; F706-F935 HydrophobicContact CE1-CG 4.34Å; F706-F935 AromaticContact CE1-CZ 3.46Å; F706-F935 HydrophobicContact CE1-CZ 3.46Å; F706-F935 VanDerWaalsContact CE1-CZ 3.46Å; F706-F935 HydrophobicContact CG-CD2 4.4Å; F706-F935 HydrophobicContact CZ-CE2 4.34Å; F706-F935 HydrophobicContact CZ-CZ 4.28Å; Y931-F935 AromaticContact CD1-CD2 3.85Å; Y931-F935 HydrophobicContact CD1-CD2 3.85Å; Y931-F935 AromaticContact CD1-CE2 3.22Å; Y931-F935 HydrophobicContact CD1-CE2 3.22Å; Y931-F935 AromaticContact CD1-CZ 3.87Å; Y931-F935 HydrophobicContact CD1-CZ 3.87Å; Y931-F935 AromaticContact CE1-CE2 3.54Å; Y931-F935 HydrophobicContact CE1-CE2 3.54Å; Y931-F935 AromaticContact CE1-CZ 3.7Å; Y931-F935 HydrophobicContact CE1-CZ 3.7Å; Y931-F935 HydrophobicContact CG-CE2 4.44Å; Y931-F935 WeakPolarHBondContact O-CD2 3.44Å; Y931-F935 PolarHBondContact O-N 3.41Å; Y931-F935 VanDerWaalsContact O-N 3.09Å; F933-F935 PolarHBondContact O-N 3.13Å; F935-L937 VanDerWaalsContact C-N 3.28Å; F935-L937 PolarHBondContact O-N 3.15Å; F935-T938 PolarHBondContact O-N 3.32Å; F935-F939 HydrophobicContact CB-CD2 4.35Å; F935-F939 HydrophobicContact CB-CE2 4.05Å; F935-F939 WeakPolarHBondContact O-CD2 3.17Å; F935-F939 WeakPolarHBondContact O-CG 3.21Å; F935-F939 PolarHBondContact O-N 3.37Å
936	A	73.5	Confident	72.6	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-45.7	173.7	0	0	0	0	0	110.7	S703 R932 F933 C940	S703-A936 VanDerWaalsContact CB-CA 3.46Å; S703-A936 VanDerWaalsContact CB-N 3.32Å; S703-A936 WeakPolarHBondContact OG-CA 3.47Å; S703-A936 VanDerWaalsContact OG-CB 3.31Å; S703-A936 WeakPolarHBondContact OG-CB 3.46Å; R932-A936 WeakPolarHBondContact O-CB 3.41Å; R932-A936 PolarHBondContact O-N 3.47Å; F933-A936 PolarHBondContact O-N 3.39Å; A936-C940 VanDerWaalsContact O-CB 3.32Å; A936-C940 WeakPolarHBondContact O-CB 3.06Å; A936-C940 PolarHBondContact O-N 3.24Å; A936-C940 VanDerWaalsContact O-N 3.12Å
937	L	69.7	Low	71.9	Confident	25 Å²	25	22.8 Å²	22.8	13%	0.131	13%	0.126	C	C	.	.	H	α-helix	trans	-66.5	-48.8	176.2	-174.3	84	0	0	0	112.2	V809 V813 F933 F934 F935 F939 C940 G941	V809-L937 HydrophobicContact CB-CD2 4.49Å; V809-L937 HydrophobicContact CG1-CB 4.44Å; V809-L937 HydrophobicContact CG1-CD1 3.25Å; V809-L937 HydrophobicContact CG1-CD2 3.09Å; V809-L937 HydrophobicContact CG1-CG 3.63Å; V813-L937 HydrophobicContact CG2-CD1 3.9Å; F933-L937 HydrophobicContact CE1-CB 4.47Å; F933-L937 PolarHBondContact O-N 3.1Å; F934-L937 PolarHBondContact O-N 3.42Å; F935-L937 VanDerWaalsContact C-N 3.28Å; F935-L937 PolarHBondContact O-N 3.15Å; L937-F939 VanDerWaalsContact C-N 3.32Å; L937-F939 PolarHBondContact O-N 3.4Å; L937-C940 CarbonylContact O-C 3.55Å; L937-C940 WeakPolarHBondContact O-CA 3.26Å; L937-C940 WeakPolarHBondContact O-CB 3.49Å; L937-C940 PolarHBondContact O-N 3.15Å; L937-C940 VanDerWaalsContact O-N 3.08Å; L937-G941 PolarHBondContact O-N 3.37Å
938	T	72.3	Confident	71.3	Confident	11 Å²	11	24.2 Å²	24.2	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-55.5	-48	-177.4	-64.9	0	0	0	0	111.2	Y909 F934 F935 C940 G941 M942	Y909-T938 WeakPolarHBondContact CE1-OG1 3.49Å; Y909-T938 WeakPolarHBondContact OH-CG2 3.06Å; Y909-T938 PolarHBondContact OH-OG1 2.95Å; F934-T938 WeakPolarHBondContact O-CB 3.45Å; F934-T938 PolarHBondContact O-N 3.02Å; F934-T938 PolarHBondContact O-OG1 3.35Å; F935-T938 PolarHBondContact O-N 3.32Å; T938-C940 VanDerWaalsContact C-N 3.35Å; T938-C940 PolarHBondContact O-N 3.35Å; T938-G941 PolarHBondContact O-N 3.16Å; T938-M942 HydrophobicContact CG2-CE 4.42Å; T938-M942 PolarHBondContact O-N 3.33Å
939	F	72.3	Confident	70.7	Confident	15 Å²	15	27.8 Å²	27.8	7%	0.066	16%	0.161	C	C	.	.	H	α-helix	trans	-70.9	-30.2	178.3	-62.9	-48	0	0	0	113	M699 F702 F935 L937 S943	M699-F939 HydrophobicContact CB-CB 4.11Å; F702-F939 HydrophobicContact CD1-CD2 4.23Å; F702-F939 AromaticContact CD1-CE2 3.6Å; F702-F939 HydrophobicContact CD1-CE2 3.6Å; F702-F939 AromaticContact CD1-CZ 3.92Å; F702-F939 HydrophobicContact CD1-CZ 3.92Å; F702-F939 AromaticContact CE1-CE2 3.91Å; F702-F939 HydrophobicContact CE1-CE2 3.91Å; F702-F939 AromaticContact CE1-CZ 3.81Å; F702-F939 HydrophobicContact CE1-CZ 3.81Å; F935-F939 HydrophobicContact CB-CD2 4.35Å; F935-F939 HydrophobicContact CB-CE2 4.05Å; F935-F939 WeakPolarHBondContact O-CD2 3.17Å; F935-F939 WeakPolarHBondContact O-CG 3.21Å; F935-F939 PolarHBondContact O-N 3.37Å; L937-F939 VanDerWaalsContact C-N 3.32Å; L937-F939 PolarHBondContact O-N 3.4Å; F939-S943 WeakPolarHBondContact O-CB 3.37Å; F939-S943 PolarHBondContact O-N 3.49Å; F939-S943 VanDerWaalsContact O-N 3.07Å; F939-S943 PolarHBondContact O-OG 2.93Å
940	C	68.2	Low	70.2	Confident	12 Å²	12	31.5 Å²	31.5	8%	0.081	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-46.7	169.9	-172.3	0	0	0	0	111.4	A794 A936 L937 T938 M942 S943 M944	A794-C940 HydrophobicContact CB-CB 3.61Å; A794-C940 VanDerWaalsContact CB-SG 3.51Å; A936-C940 VanDerWaalsContact O-CB 3.32Å; A936-C940 WeakPolarHBondContact O-CB 3.06Å; A936-C940 PolarHBondContact O-N 3.24Å; A936-C940 VanDerWaalsContact O-N 3.12Å; L937-C940 CarbonylContact O-C 3.55Å; L937-C940 WeakPolarHBondContact O-CA 3.26Å; L937-C940 WeakPolarHBondContact O-CB 3.49Å; L937-C940 PolarHBondContact O-N 3.15Å; L937-C940 VanDerWaalsContact O-N 3.08Å; T938-C940 VanDerWaalsContact C-N 3.35Å; T938-C940 PolarHBondContact O-N 3.35Å; C940-M942 PolarHBondContact O-N 2.89Å; C940-S943 PolarHBondContact O-N 3.12Å; C940-S943 VanDerWaalsContact O-N 3.16Å; C940-M944 WeakPolarHBondContact O-CB 3.45Å; C940-M944 VanDerWaalsContact O-CG 3.3Å; C940-M944 WeakPolarHBondContact O-CG 3.49Å; C940-M944 PolarHBondContact O-N 3.3Å
941	G	66.6	Low	69.6	Low	10 Å²	10	35.3 Å²	35.3	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-42.6	179.1	0	0	0	0	0	112.4	L937 T938 M944 G945	L937-G941 PolarHBondContact O-N 3.37Å; T938-G941 PolarHBondContact O-N 3.16Å; G941-M944 PolarHBondContact O-N 3.13Å; G941-G945 PolarHBondContact O-N 2.79Å
942	M	69.8	Low	69.3	Low	72 Å²	72	36.7 Å²	36.7	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-44.1	172.9	-72.8	-174.8	175.5	0	0	112.3	T938 C940 M944 G945 Q946	T938-M942 HydrophobicContact CG2-CE 4.42Å; T938-M942 PolarHBondContact O-N 3.33Å; C940-M942 PolarHBondContact O-N 2.89Å; M942-M944 VanDerWaalsContact C-N 3.33Å; M942-M944 PolarHBondContact O-N 3.39Å; M942-G945 PolarHBondContact O-N 3.32Å; M942-Q946 PolarHBondContact O-N 3Å
943	S	67.5	Low	69.1	Low	22 Å²	22	38.7 Å²	38.7	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-37.4	178	-57.9	0	0	0	0	112	F939 C940 Q946 A947	F939-S943 WeakPolarHBondContact O-CB 3.37Å; F939-S943 PolarHBondContact O-N 3.49Å; F939-S943 VanDerWaalsContact O-N 3.07Å; F939-S943 PolarHBondContact O-OG 2.93Å; C940-S943 PolarHBondContact O-N 3.12Å; C940-S943 VanDerWaalsContact O-N 3.16Å; S943-Q946 PolarHBondContact O-N 3.3Å; S943-A947 WeakPolarHBondContact O-CB 3.12Å; S943-A947 PolarHBondContact O-N 3.01Å
944	M	64	Low	69	Low	20 Å²	20	41 Å²	41	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-40.3	174.6	-72.7	178	68.4	0	0	112.3	I791 V813 I817 C940 G941 M942 Q946 A947 S948	I791-M944 HydrophobicContact CD1-CE 3.93Å; I791-M944 HydrophobicContact CD1-CG 4.02Å; I791-M944 HydrophobicContact CD1-SD 4.24Å; I791-M944 HydrophobicContact CG1-CE 4.39Å; I791-M944 HydrophobicContact CG1-CG 3.73Å; I791-M944 HydrophobicContact CG1-SD 4.05Å; I791-M944 HydrophobicContact CG2-SD 4.46Å; V813-M944 HydrophobicContact CG1-CE 3.56Å; V813-M944 HydrophobicContact CG1-SD 3.85Å; I817-M944 HydrophobicContact CD1-CE 3.28Å; I817-M944 HydrophobicContact CG1-CE 3.67Å; C940-M944 WeakPolarHBondContact O-CB 3.45Å; C940-M944 VanDerWaalsContact O-CG 3.3Å; C940-M944 WeakPolarHBondContact O-CG 3.49Å; C940-M944 PolarHBondContact O-N 3.3Å; G941-M944 PolarHBondContact O-N 3.13Å; M942-M944 VanDerWaalsContact C-N 3.33Å; M942-M944 PolarHBondContact O-N 3.39Å; M944-Q946 VanDerWaalsContact C-N 3.33Å; M944-Q946 PolarHBondContact O-N 3.19Å; M944-A947 WeakPolarHBondContact O-CB 3.25Å; M944-A947 PolarHBondContact O-N 2.7Å; M944-S948 PolarHBondContact O-N 2.97Å
945	G	64.3	Low	68.9	Low	32 Å²	32	43.3 Å²	43.3	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-56.4	-48.1	172.9	0	0	0	0	0	111.3	G941 M942 A947 S948	G941-G945 PolarHBondContact O-N 2.79Å; M942-G945 PolarHBondContact O-N 3.32Å; G945-A947 PolarHBondContact O-N 3.38Å; G945-S948 WeakPolarHBondContact O-CB 3.32Å; G945-S948 PolarHBondContact O-N 3.44Å; G945-S948 PolarHBondContact O-OG 3.2Å
946	Q	66.3	Low	68.9	Low	146 Å²	146	48.3 Å²	48.3	68%	0.682	27%	0.273	S	S	*	.	H	α-helix	trans	-64.3	-37.8	175.3	-67.5	-163.2	-6.6	0	0	113	M942 S943 M944 S948 C949 F950	M942-Q946 PolarHBondContact O-N 3Å; S943-Q946 PolarHBondContact O-N 3.3Å; M944-Q946 VanDerWaalsContact C-N 3.33Å; M944-Q946 PolarHBondContact O-N 3.19Å; Q946-S948 VanDerWaalsContact C-N 3.26Å; Q946-S948 PolarHBondContact O-N 3.11Å; Q946-C949 WeakPolarHBondContact O-CB 3.43Å; Q946-C949 PolarHBondContact O-N 3.4Å; Q946-F950 WeakPolarHBondContact O-CD2 3.49Å; Q946-F950 WeakPolarHBondContact O-CE2 3.47Å
947	A	65.8	Low	69.3	Low	17 Å²	17	48.2 Å²	48.2	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-33.5	175.9	0	0	0	0	0	112.4	N788 S943 M944 G945 C949 F950	N788-A947 HydrophobicContact CB-CB 4.37Å; S943-A947 WeakPolarHBondContact O-CB 3.12Å; S943-A947 PolarHBondContact O-N 3.01Å; M944-A947 WeakPolarHBondContact O-CB 3.25Å; M944-A947 PolarHBondContact O-N 2.7Å; G945-A947 PolarHBondContact O-N 3.38Å; A947-C949 VanDerWaalsContact C-N 3.26Å; A947-C949 PolarHBondContact O-N 3.45Å; A947-F950 PolarHBondContact O-N 3.19Å
948	S	64.6	Low	69.8	Low	31 Å²	31	52.1 Å²	52.1	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-29.1	179.9	77.6	0	0	0	0	113.2	M944 G945 Q946 F950 I951	M944-S948 PolarHBondContact O-N 2.97Å; G945-S948 WeakPolarHBondContact O-CB 3.32Å; G945-S948 PolarHBondContact O-N 3.44Å; G945-S948 PolarHBondContact O-OG 3.2Å; Q946-S948 VanDerWaalsContact C-N 3.26Å; Q946-S948 PolarHBondContact O-N 3.11Å; S948-F950 PolarHBondContact O-N 3.02Å; S948-F950 VanDerWaalsContact O-N 3.15Å; S948-I951 WeakPolarHBondContact O-CB 3.33Å; S948-I951 WeakPolarHBondContact O-CG1 3.31Å; S948-I951 PolarHBondContact O-N 3.1Å; S948-I951 VanDerWaalsContact O-N 3.14Å
949	C	63.3	Low	70.1	Confident	84 Å²	84	55.6 Å²	55.6	57%	0.568	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.1	177.5	-63.7	0	0	0	0	113.5	Q946 A947 P952	Q946-C949 WeakPolarHBondContact O-CB 3.43Å; Q946-C949 PolarHBondContact O-N 3.4Å; A947-C949 VanDerWaalsContact C-N 3.26Å; A947-C949 PolarHBondContact O-N 3.45Å; C949-P952 WeakPolarHBondContact O-CD 3.39Å
950	F	67.8	Low	70.8	Confident	102 Å²	102	55 Å²	55	45%	0.447	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.1	179.8	-60.7	-76.1	0	0	0	113.9	Q946 A947 S948 D953 L954	Q946-F950 WeakPolarHBondContact O-CD2 3.49Å; Q946-F950 WeakPolarHBondContact O-CE2 3.47Å; A947-F950 PolarHBondContact O-N 3.19Å; S948-F950 PolarHBondContact O-N 3.02Å; S948-F950 VanDerWaalsContact O-N 3.15Å; F950-D953 PolarHBondContact O-N 2.87Å; F950-L954 PolarHBondContact O-N 3.41Å
951	I	68.9	Low	71.6	Confident	82 Å²	82	54.4 Å²	54.4	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-45.7	-179	-65	170.5	0	0	0	111.9	M824 S948 D953 L954 A955	M824-I951 HydrophobicContact CE-CB 4.11Å; M824-I951 HydrophobicContact CE-CG2 3.97Å; S948-I951 WeakPolarHBondContact O-CB 3.33Å; S948-I951 WeakPolarHBondContact O-CG1 3.31Å; S948-I951 PolarHBondContact O-N 3.1Å; S948-I951 VanDerWaalsContact O-N 3.14Å; I951-D953 VanDerWaalsContact C-N 3.31Å; I951-D953 PolarHBondContact O-N 2.67Å; I951-L954 PolarHBondContact O-N 3.23Å; I951-A955 PolarHBondContact O-N 3.32Å
952	P	68.1	Low	72.4	Confident	30 Å²	30	54.3 Å²	54.3	20%	0.195	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-44.5	173.3	-30.8	39.8	0	0	0	113.4	M824 M828 C949 L954 A955 K956	M824-P952 HydrophobicContact CE-CG 4.16Å; M824-P952 HydrophobicContact CG-CG 4.29Å; M824-P952 VanDerWaalsContact SD-CD 3.55Å; M824-P952 HydrophobicContact SD-CG 3.28Å; M824-P952 WeakPolarHBondContact SD-CG 3.25Å; M828-P952 HydrophobicContact CE-CB 3.68Å; M828-P952 HydrophobicContact CE-CG 3.98Å; C949-P952 WeakPolarHBondContact O-CD 3.39Å; P952-L954 VanDerWaalsContact C-N 3.32Å; P952-L954 PolarHBondContact O-N 3.3Å; P952-A955 PolarHBondContact O-N 2.94Å; P952-K956 WeakPolarHBondContact O-CB 3.4Å; P952-K956 PolarHBondContact O-N 2.9Å
953	D	70.9	Confident	73.1	Confident	82 Å²	82	52.4 Å²	52.4	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-38.5	-178.6	-68.5	-20.6	0	0	0	110.9	A783 F950 I951 K956 A957	A783-D953 HydrophobicContact CB-CB 4.03Å; F950-D953 PolarHBondContact O-N 2.87Å; I951-D953 VanDerWaalsContact C-N 3.31Å; I951-D953 PolarHBondContact O-N 2.67Å; D953-K956 PolarHBondContact O-N 2.96Å; D953-A957 WeakPolarHBondContact O-CB 3.38Å; D953-A957 PolarHBondContact O-N 3.01Å
954	L	73.4	Confident	74.1	Confident	53 Å²	53	51.4 Å²	51.4	28%	0.277	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-40.9	175.1	-157.5	102.5	0	0	0	111.9	F950 I951 P952 A957 R958	F950-L954 PolarHBondContact O-N 3.41Å; I951-L954 PolarHBondContact O-N 3.23Å; P952-L954 VanDerWaalsContact C-N 3.32Å; P952-L954 PolarHBondContact O-N 3.3Å; L954-A957 PolarHBondContact O-N 3.43Å; L954-R958 WeakPolarHBondContact O-CG 3.45Å; L954-R958 PolarHBondContact O-N 3.31Å; L954-R958 VanDerWaalsContact O-N 3.08Å
955	A	73.3	Confident	75.3	Confident	55 Å²	55	51 Å²	51	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-46.2	176.1	0	0	0	0	0	111.1	I951 P952 A957 R958 V959	I951-A955 PolarHBondContact O-N 3.32Å; P952-A955 PolarHBondContact O-N 2.94Å; A955-A957 VanDerWaalsContact C-N 3.35Å; A955-A957 PolarHBondContact O-N 2.93Å; A955-R958 PolarHBondContact O-N 3.45Å; A955-V959 PolarHBondContact O-N 3.03Å
956	K	76.3	Confident	76.3	Confident	111 Å²	111	56.9 Å²	56.9	48%	0.483	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-45.4	175.7	-167.4	-176	-173	-163.8	0	111.2	N780 P952 D953 R958 V959 S960	N780-K956 WeakPolarHBondContact ND2-CE 3.35Å; N780-K956 PolarHBondContact OD1-NZ 3.41Å; P952-K956 WeakPolarHBondContact O-CB 3.4Å; P952-K956 PolarHBondContact O-N 2.9Å; D953-K956 PolarHBondContact O-N 2.96Å; K956-R958 VanDerWaalsContact C-N 3.33Å; K956-R958 PolarHBondContact O-N 3.01Å; K956-V959 PolarHBondContact O-N 3.37Å; K956-S960 PolarHBondContact O-N 3.32Å; K956-S960 PolarHBondContact O-OG 2.65Å
957	A	82	Confident	77.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-38.1	179.3	0	0	0	0	0	113	N780 A783 V784 D953 L954 A955 A961	N780-A957 WeakPolarHBondContact O-CB 3.36Å; A783-A957 HydrophobicContact CB-CB 4.22Å; V784-A957 HydrophobicContact CG2-CB 3.59Å; D953-A957 WeakPolarHBondContact O-CB 3.38Å; D953-A957 PolarHBondContact O-N 3.01Å; L954-A957 PolarHBondContact O-N 3.43Å; A955-A957 VanDerWaalsContact C-N 3.35Å; A955-A957 PolarHBondContact O-N 2.93Å; A957-A961 WeakPolarHBondContact O-CB 3.03Å; A957-A961 PolarHBondContact O-N 3.43Å
958	R	79.9	Confident	78.6	Confident	107 Å²	107	51 Å²	51	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-41.3	175.8	-75.3	179.8	-178.2	179.1	0.9	112.5	L954 A955 K956 A961 A962	L954-R958 WeakPolarHBondContact O-CG 3.45Å; L954-R958 PolarHBondContact O-N 3.31Å; L954-R958 VanDerWaalsContact O-N 3.08Å; A955-R958 PolarHBondContact O-N 3.45Å; K956-R958 VanDerWaalsContact C-N 3.33Å; K956-R958 PolarHBondContact O-N 3.01Å; R958-A961 PolarHBondContact O-N 3.38Å; R958-A962 PolarHBondContact O-N 3.44Å
959	V	79.4	Confident	79.7	Confident	84 Å²	84	55.9 Å²	55.9	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-48.2	177.1	176.5	0	0	0	0	110.3	A955 K956 A961 A962 S963	A955-V959 PolarHBondContact O-N 3.03Å; K956-V959 PolarHBondContact O-N 3.37Å; V959-A961 VanDerWaalsContact C-N 3.31Å; V959-A961 PolarHBondContact O-N 2.99Å; V959-A962 PolarHBondContact O-N 3.1Å; V959-S963 PolarHBondContact O-N 3.42Å; V959-S963 PolarHBondContact O-OG 3.02Å
960	S	85.3	Confident	80.9	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-40.9	175.5	-65.7	0	0	0	0	111.8	D777 N780 K956 S963 V964	D777-S960 WeakPolarHBondContact O-CB 3.1Å; D777-S960 WeakPolarHBondContact OD1-CB 3.47Å; D777-S960 PolarHBondContact OD1-OG 3.45Å; N780-S960 PolarHBondContact ND2-OG 3.35Å; K956-S960 PolarHBondContact O-N 3.32Å; K956-S960 PolarHBondContact O-OG 2.65Å; S960-S963 PolarHBondContact O-N 3.26Å; S960-V964 WeakPolarHBondContact O-CB 3.22Å; S960-V964 VanDerWaalsContact O-CG2 3.29Å; S960-V964 WeakPolarHBondContact O-CG2 3.27Å; S960-V964 PolarHBondContact O-N 3.08Å
961	A	85.9	Confident	81.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-47.5	175.2	0	0	0	0	0	111.7	I674 I781 A957 R958 V959 S963 V964 F965	I674-A961 HydrophobicContact CD1-CB 3.52Å; I674-A961 HydrophobicContact CG1-CB 4.06Å; I781-A961 HydrophobicContact CD1-CB 4.14Å; I781-A961 HydrophobicContact CG1-CB 4.01Å; I781-A961 HydrophobicContact CG2-CB 4.47Å; A957-A961 WeakPolarHBondContact O-CB 3.03Å; A957-A961 PolarHBondContact O-N 3.43Å; R958-A961 PolarHBondContact O-N 3.38Å; V959-A961 VanDerWaalsContact C-N 3.31Å; V959-A961 PolarHBondContact O-N 2.99Å; A961-S963 VanDerWaalsContact C-N 3.31Å; A961-S963 PolarHBondContact O-N 2.93Å; A961-V964 PolarHBondContact O-N 3.04Å; A961-F965 HydrophobicContact CB-CD2 4.08Å; A961-F965 HydrophobicContact CB-CE2 4.2Å; A961-F965 WeakPolarHBondContact O-CB 3.49Å; A961-F965 WeakPolarHBondContact O-CD2 3.46Å; A961-F965 PolarHBondContact O-N 3.16Å
962	A	83.4	Confident	83	Confident	7 Å²	7	53.8 Å²	53.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-46.9	179.1	0	0	0	0	0	112.1	V666 I669 R958 V959 R966	V666-A962 HydrophobicContact CG1-CB 3.39Å; I669-A962 HydrophobicContact CD1-CB 4.49Å; I669-A962 HydrophobicContact CG1-CB 4.29Å; R958-A962 PolarHBondContact O-N 3.44Å; V959-A962 PolarHBondContact O-N 3.1Å; A962-R966 VanDerWaalsContact O-CB 3.29Å; A962-R966 WeakPolarHBondContact O-CB 3.43Å; A962-R966 PolarHBondContact O-N 3.15Å; A962-R966 VanDerWaalsContact O-N 3.12Å
963	S	83.8	Confident	83.9	Confident	33 Å²	33	58.8 Å²	58.8	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-49.6	176.7	-57.9	0	0	0	0	112.3	V959 S960 A961 R966 M967	V959-S963 PolarHBondContact O-N 3.42Å; V959-S963 PolarHBondContact O-OG 3.02Å; S960-S963 PolarHBondContact O-N 3.26Å; A961-S963 VanDerWaalsContact C-N 3.31Å; A961-S963 PolarHBondContact O-N 2.93Å; S963-R966 PolarHBondContact O-N 3.36Å; S963-M967 WeakPolarHBondContact O-CG 3.29Å; S963-M967 PolarHBondContact O-N 3.39Å; S963-M967 VanDerWaalsContact O-N 3.11Å
964	V	88.7	Confident	84.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-46.5	-176.5	168	0	0	0	0	111.9	L748 D777 V778 I781 S960 A961 M967 I968	L748-V964 HydrophobicContact CD2-CG1 4.31Å; L748-V964 HydrophobicContact CD2-CG2 4.45Å; D777-V964 HydrophobicContact CB-CG2 3.91Å; V778-V964 HydrophobicContact CG2-CG1 4.32Å; V778-V964 HydrophobicContact CG2-CG2 3.96Å; I781-V964 HydrophobicContact CD1-CB 4.01Å; I781-V964 HydrophobicContact CD1-CG1 4.17Å; I781-V964 HydrophobicContact CD1-CG2 4.11Å; S960-V964 WeakPolarHBondContact O-CB 3.22Å; S960-V964 VanDerWaalsContact O-CG2 3.29Å; S960-V964 WeakPolarHBondContact O-CG2 3.27Å; S960-V964 PolarHBondContact O-N 3.08Å; A961-V964 PolarHBondContact O-N 3.04Å; V964-M967 PolarHBondContact O-N 2.87Å; V964-I968 HydrophobicContact CG1-CD1 3.75Å; V964-I968 HydrophobicContact CG1-CG1 4.45Å; V964-I968 WeakPolarHBondContact O-CG1 3.26Å; V964-I968 PolarHBondContact O-N 2.95Å
965	F	88.8	Confident	85.3	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-36.6	180	-81.2	-73.1	0	0	0	112.2	I669 I674 S677 L744 A961 M967 I968 Q969	I669-F965 HydrophobicContact CD1-CB 3.22Å; I669-F965 HydrophobicContact CD1-CD2 3.68Å; I669-F965 HydrophobicContact CD1-CG 3.73Å; I674-F965 HydrophobicContact CG1-CE2 4.13Å; S677-F965 VanDerWaalsContact OG-CE1 3.31Å; S677-F965 WeakPolarHBondContact OG-CE1 3.28Å; S677-F965 VanDerWaalsContact OG-CZ 3.25Å; S677-F965 WeakPolarHBondContact OG-CZ 3.37Å; L744-F965 HydrophobicContact CD2-CE1 4.17Å; L744-F965 HydrophobicContact CD2-CZ 4.06Å; A961-F965 HydrophobicContact CB-CD2 4.08Å; A961-F965 HydrophobicContact CB-CE2 4.2Å; A961-F965 WeakPolarHBondContact O-CB 3.49Å; A961-F965 WeakPolarHBondContact O-CD2 3.46Å; A961-F965 PolarHBondContact O-N 3.16Å; F965-M967 VanDerWaalsContact C-N 3.25Å; F965-M967 PolarHBondContact O-N 3.28Å; F965-I968 PolarHBondContact O-N 3.5Å; F965-Q969 WeakPolarHBondContact O-CB 3.08Å; F965-Q969 VanDerWaalsContact O-CG 3.29Å; F965-Q969 WeakPolarHBondContact O-CG 3.36Å; F965-Q969 PolarHBondContact O-N 2.68Å
966	R	86.4	Confident	85.5	Confident	155 Å²	155	51.7 Å²	51.7	59%	0.585	25%	0.251	S	S	*	.	H	α-helix	trans	-58.3	-41.4	172.1	-176	176.8	176.9	-168.1	-7.7	110.8	E662 A962 S963 Q969 A970	E662-R966 IonicContact OE1-CZ 2.84Å; E662-R966 IonicContact OE1-NH1 2.75Å; E662-R966 PolarHBondContact OE1-NH1 3.11Å; E662-R966 IonicContact OE1-NH2 3.43Å; E662-R966 PolarHBondContact OE1-NH2 3.33Å; A962-R966 VanDerWaalsContact O-CB 3.29Å; A962-R966 WeakPolarHBondContact O-CB 3.43Å; A962-R966 PolarHBondContact O-N 3.15Å; A962-R966 VanDerWaalsContact O-N 3.12Å; S963-R966 PolarHBondContact O-N 3.36Å; R966-Q969 PolarHBondContact O-N 2.92Å; R966-A970 PolarHBondContact O-N 2.68Å
967	M	89.5	Confident	85.3	Confident	7 Å²	7	50 Å²	50	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-32.4	176.5	-66.6	-179.9	84.1	0	0	113.4	L748 N751 L752 Y759 I770 R773 S963 V964 F965	L748-M967 HydrophobicContact CD1-CB 3.48Å; L748-M967 VanDerWaalsContact CD1-CB 3.48Å; L748-M967 HydrophobicContact CD1-SD 4.33Å; N751-M967 PolarHBondContact ND2-O 3.19Å; L752-M967 HydrophobicContact CD2-CE 3.68Å; Y759-M967 HydrophobicContact CE1-CE 4.49Å; Y759-M967 WeakPolarHBondContact OH-CE 3.13Å; I770-M967 HydrophobicContact CG1-CE 4.28Å; R773-M967 PolarHBondContact NH1-SD 2.9Å; S963-M967 WeakPolarHBondContact O-CG 3.29Å; S963-M967 PolarHBondContact O-N 3.39Å; S963-M967 VanDerWaalsContact O-N 3.11Å; V964-M967 PolarHBondContact O-N 2.87Å; F965-M967 VanDerWaalsContact C-N 3.25Å; F965-M967 PolarHBondContact O-N 3.28Å
968	I	90.1	Very high	84.9	Confident	31 Å²	31	51.4 Å²	51.4	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-33.3	174.7	-70.3	168.8	0	0	0	111.4	L744 K747 L748 N751 V964 F965	L744-I968 HydrophobicContact CD2-CD1 3.87Å; K747-I968 HydrophobicContact CB-CD1 4.29Å; K747-I968 HydrophobicContact CB-CG2 4.48Å; L748-I968 HydrophobicContact CB-CD1 4.3Å; L748-I968 HydrophobicContact CB-CG1 4.02Å; L748-I968 HydrophobicContact CD1-CG1 4.05Å; N751-I968 PolarHBondContact ND2-O 2.9Å; V964-I968 HydrophobicContact CG1-CD1 3.75Å; V964-I968 HydrophobicContact CG1-CG1 4.45Å; V964-I968 WeakPolarHBondContact O-CG1 3.26Å; V964-I968 PolarHBondContact O-N 2.95Å; F965-I968 PolarHBondContact O-N 3.5Å
969	Q	88.8	Confident	84.1	Confident	135 Å²	135	50.6 Å²	50.6	63%	0.631	28%	0.278	S	S	*	.	H	α-helix	trans	-89.2	-9.1	-178	-69.4	173.7	-17.8	0	0	113.5	F965 R966 E971	F965-Q969 WeakPolarHBondContact O-CB 3.08Å; F965-Q969 VanDerWaalsContact O-CG 3.29Å; F965-Q969 WeakPolarHBondContact O-CG 3.36Å; F965-Q969 PolarHBondContact O-N 2.68Å; R966-Q969 PolarHBondContact O-N 2.92Å; Q969-E971 PolarHBondContact O-N 3.3Å
970	A	88.7	Confident	83	Confident	28 Å²	28	53.4 Å²	53.4	23%	0.231	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64.1	116.3	177.7	0	0	0	0	0	110.2	N751 Q755 R966	N751-A970 PolarHBondContact ND2-O 2.66Å; Q755-A970 PolarHBondContact NE2-O 2.99Å; R966-A970 PolarHBondContact O-N 2.68Å
971	E	89	Confident	81.6	Confident	175 Å²	175	56.2 Å²	56.2	82%	0.818	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-81	132	174.5	-65.9	-175.2	168.9	0	0	109.8	Q969	Q969-E971 PolarHBondContact O-N 3.3Å
972	P	90.3	Very high	80.1	Confident	20 Å²	20	61.8 Å²	61.8	13%	0.13	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.5	143.3	177.2	31.4	-37.5	0	0	0	110.6	R754 E756 I974 D975	R754-P972 HydrophobicContact CG-CG 4.17Å; R754-P972 WeakPolarHBondContact O-CB 3.43Å; E756-P972 WeakPolarHBondContact OE2-CA 3.5Å; P972-I974 VanDerWaalsContact C-N 3.3Å; P972-D975 HydrophobicContact CG-CB 3.8Å
973	I	87.2	Confident	78.7	Confident	135 Å²	135	66.1 Å²	66.1	69%	0.692	36%	0.363	S	S	*	.	S	Bend	trans	-68.7	-38.6	171.8	-58.1	172.8	0	0	0	109.2	E756	E756-I973 PolarHBondContact OE2-N 2.56Å
974	I	89	Confident	77.2	Confident	7 Å²	7	72 Å²	72	4%	0.036	39%	0.387	C	S	.	.	S	Bend	trans	-119.3	93.6	177.9	-52.5	174.3	0	0	0	109.1	E756 P972 S976 R1041 D1044 L1062	E756-I974 HydrophobicContact CB-CB 3.9Å; E756-I974 HydrophobicContact CB-CD1 4.45Å; E756-I974 HydrophobicContact CB-CG1 4.33Å; P972-I974 VanDerWaalsContact C-N 3.3Å; I974-S976 PolarHBondContact O-N 2.87Å; I974-R1041 HydrophobicContact CG2-CG 4.33Å; I974-D1044 HydrophobicContact CD1-CB 4.33Å; I974-L1062 HydrophobicContact CG2-CD1 3.46Å; I974-L1062 VanDerWaalsContact CG2-CD1 3.46Å
975	D	86.2	Confident	75.6	Confident	32 Å²	32	73.7 Å²	73.7	17%	0.171	40%	0.398	C	S	.	.			trans	-78.1	105.8	179.5	-174	9.8	0	0	0	112.4	R754 P972 C977 S978	R754-D975 VanDerWaalsContact CG-OD1 3.26Å; R754-D975 WeakPolarHBondContact CG-OD1 3.34Å; R754-D975 IonicContact CZ-OD1 3.74Å; R754-D975 IonicContact CZ-OD2 3.7Å; R754-D975 VanDerWaalsContact CZ-OD2 3.32Å; R754-D975 IonicContact NE-OD1 3.64Å; R754-D975 PolarHBondContact NE-OD1 3.24Å; R754-D975 IonicContact NE-OD2 3.33Å; R754-D975 PolarHBondContact NE-OD2 3.31Å; R754-D975 IonicContact NH2-OD1 2.9Å; R754-D975 IonicContact NH2-OD2 3.81Å; R754-D975 PolarHBondContact NH2-OD2 3.2Å; P972-D975 HydrophobicContact CG-CB 3.8Å; D975-C977 PolarHBondContact O-N 2.83Å; D975-C977 PolarHBondContact OD1-N 3.18Å; D975-S978 PolarHBondContact OD1-N 2.74Å; D975-S978 WeakPolarHBondContact OD2-CA 3.46Å; D975-S978 WeakPolarHBondContact OD2-CB 3.24Å; D975-S978 PolarHBondContact OD2-N 2.91Å
976	S	76.1	Confident	74	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.021	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18	176.9	-60.2	0	0	0	0	113.6	I974 R1066	I974-S976 PolarHBondContact O-N 2.87Å; S976-R1066 PolarHBondContact OG-NH1 3.49Å
977	C	72.4	Confident	72.8	Confident	74 Å²	74	75.2 Å²	75.2	50%	0.5	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	4.3	-176.1	-66.3	0	0	0	0	113.2	R754 D975	R754-C977 HydrophobicContact CG-CB 4.33Å; D975-C977 PolarHBondContact O-N 2.83Å; D975-C977 PolarHBondContact OD1-N 3.18Å
978	S	74.9	Confident	71.3	Confident	30 Å²	30	78.7 Å²	78.7	21%	0.21	44%	0.437	C	S	.	.			trans	-64	134.6	-179.4	135	0	0	0	0	111.1	D975 I980 N1061	D975-S978 PolarHBondContact OD1-N 2.74Å; D975-S978 WeakPolarHBondContact OD2-CA 3.46Å; D975-S978 WeakPolarHBondContact OD2-CB 3.24Å; D975-S978 PolarHBondContact OD2-N 2.91Å; S978-I980 VanDerWaalsContact C-N 3.29Å; S978-I980 PolarHBondContact O-N 3.5Å; S978-I980 WeakPolarHBondContact OG-CG1 3.26Å; S978-I980 PolarHBondContact OG-N 2.85Å; S978-N1061 PolarHBondContact O-ND2 3.22Å
979	A	62.4	Low	70.6	Confident	91 Å²	91	80.5 Å²	80.5	75%	0.752	44%	0.442	S	S	*	.			trans	-87.6	8.8	-179.5	0	0	0	0	0	113.4	V981	A979-V981 PolarHBondContact O-N 3.33Å
980	I	56.8	Low	70.4	Confident	142 Å²	142	77.4 Å²	77.4	73%	0.728	42%	0.424	S	S	*	.			trans	-73.9	-15.5	-149.7	-65.8	175.1	0	0	0	115.3	S978	S978-I980 VanDerWaalsContact C-N 3.29Å; S978-I980 PolarHBondContact O-N 3.5Å; S978-I980 WeakPolarHBondContact OG-CG1 3.26Å; S978-I980 PolarHBondContact OG-N 2.85Å
981	V	56	Low	70.5	Confident	63 Å²	63	76.1 Å²	76.1	38%	0.382	41%	0.414	S	S	.	.	S	Bend	trans	-144.6	144.6	-176.6	-172	0	0	0	0	115.9	A979 V1059	A979-V981 PolarHBondContact O-N 3.33Å; V981-V1059 VanDerWaalsContact CB-O 3.31Å; V981-V1059 WeakPolarHBondContact CB-O 3.49Å; V981-V1059 WeakPolarHBondContact CG2-O 3.42Å
982	N	54.3	Low	70.7	Confident	117 Å²	117	69.6 Å²	69.6	63%	0.626	38%	0.384	S	S	*	.			trans	-23.9	125	-171.1	-95	-26.1	0	0	0	120.1	H984	N982-H984 PolarHBondContact O-N 3.03Å
983	P	53.1	Low	70.9	Confident	97 Å²	97	68.7 Å²	68.7	63%	0.63	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	6.5	173.8	31.8	-34.1	0	0	0	115.2
984	H	53.2	Low	71.2	Confident	158 Å²	158	68.8 Å²	68.8	73%	0.731	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	8	-170.3	-68.2	-60.2	0	0	0	115.8	N982 I986	N982-H984 PolarHBondContact O-N 3.03Å; H984-I986 PolarHBondContact O-N 3.15Å
985	C	54.6	Low	71.4	Confident	34 Å²	34	69.6 Å²	69.6	23%	0.23	38%	0.384	C	S	.	.			trans	-74.6	111.8	174.7	-68.2	0	0	0	0	110	F987	C985-F987 HydrophobicContact CB-CD1 4.33Å; C985-F987 HydrophobicContact CB-CD2 4.41Å; C985-F987 HydrophobicContact CB-CE1 3.75Å; C985-F987 HydrophobicContact CB-CE2 3.77Å; C985-F987 HydrophobicContact CB-CZ 3.45Å; C985-F987 VanDerWaalsContact CB-CZ 3.45Å; C985-F987 WeakPolarHBondContact O-CD2 3.34Å; C985-F987 WeakPolarHBondContact O-CE2 3.46Å; C985-F987 PolarHBondContact O-N 2.74Å
986	I	54.2	Low	71.8	Confident	169 Å²	169	68.1 Å²	68.1	87%	0.867	38%	0.376	S	S	*	.			trans	-79.8	101.7	167.3	-60	171.4	0	0	0	106.3	H984 T988	H984-I986 PolarHBondContact O-N 3.15Å; I986-T988 PolarHBondContact O-N 2.77Å
987	F	62.6	Low	72.6	Confident	31 Å²	31	71.1 Å²	71.1	14%	0.136	39%	0.389	C	S	.	.			trans	-73.1	123.6	-173.7	-64.9	-77	0	0	0	112.1	C985 R989 Y1052 D1053 L1060 H1064	C985-F987 HydrophobicContact CB-CD1 4.33Å; C985-F987 HydrophobicContact CB-CD2 4.41Å; C985-F987 HydrophobicContact CB-CE1 3.75Å; C985-F987 HydrophobicContact CB-CE2 3.77Å; C985-F987 HydrophobicContact CB-CZ 3.45Å; C985-F987 VanDerWaalsContact CB-CZ 3.45Å; C985-F987 WeakPolarHBondContact O-CD2 3.34Å; C985-F987 WeakPolarHBondContact O-CE2 3.46Å; C985-F987 PolarHBondContact O-N 2.74Å; F987-R989 PolarHBondContact O-N 3.43Å; F987-Y1052 HydrophobicContact CB-CE1 3.83Å; F987-Y1052 AromaticContact CD1-CD1 3.37Å; F987-Y1052 HydrophobicContact CD1-CD1 3.37Å; F987-Y1052 AromaticContact CD1-CE1 3.11Å; F987-Y1052 HydrophobicContact CD1-CE1 3.11Å; F987-Y1052 HydrophobicContact CD1-CG 4.44Å; F987-Y1052 HydrophobicContact CD2-CE1 4.08Å; F987-Y1052 AromaticContact CE1-CD1 3.54Å; F987-Y1052 HydrophobicContact CE1-CD1 3.54Å; F987-Y1052 AromaticContact CE1-CE1 3.6Å; F987-Y1052 HydrophobicContact CE1-CE1 3.6Å; F987-Y1052 HydrophobicContact CG-CD1 4.12Å; F987-Y1052 AromaticContact CG-CE1 3.37Å; F987-Y1052 HydrophobicContact CG-CE1 3.37Å; F987-Y1052 AromaticContact CG-CZ 3.99Å; F987-Y1052 HydrophobicContact CZ-CD1 4.43Å; F987-Y1052 HydrophobicContact CZ-CE1 4.28Å; F987-D1053 WeakPolarHBondContact CA-OD2 3.41Å; F987-D1053 WeakPolarHBondContact CB-OD2 3.4Å; F987-D1053 WeakPolarHBondContact CD1-OD2 3.28Å; F987-L1060 HydrophobicContact CE1-CD1 4.12Å; F987-L1060 HydrophobicContact CE1-CD2 4.21Å; F987-L1060 HydrophobicContact CZ-CD2 4.36Å; F987-H1064 AromaticContact CD2-CD2 3.88Å; F987-H1064 AromaticContact CD2-NE2 3.76Å; F987-H1064 AromaticContact CE2-CD2 3.19Å; F987-H1064 WeakPolarHBondContact CE2-CD2 3.41Å; F987-H1064 AromaticContact CE2-NE2 3.36Å; F987-H1064 WeakPolarHBondContact CE2-NE2 3.32Å
988	T	56.9	Low	73.7	Confident	81 Å²	81	67.7 Å²	67.7	50%	0.497	37%	0.366	S	S	.	.			trans	-75.9	2.9	176.3	44.1	0	0	0	0	114.4	I986 W990 A1018 D1053	I986-T988 PolarHBondContact O-N 2.77Å; T988-W990 PolarHBondContact OG1-NE1 3.44Å; T988-A1018 VanDerWaalsContact O-CB 3.29Å; T988-A1018 WeakPolarHBondContact O-CB 3.4Å; T988-D1053 WeakPolarHBondContact CA-OD1 3.39Å; T988-D1053 WeakPolarHBondContact CB-OD1 3.35Å; T988-D1053 VanDerWaalsContact N-CG 3.25Å; T988-D1053 PolarHBondContact N-OD1 3.35Å; T988-D1053 PolarHBondContact N-OD2 3.49Å; T988-D1053 WeakPolarHBondContact OG1-CB 3.5Å; T988-D1053 PolarHBondContact OG1-OD1 3.46Å
989	R	76.3	Confident	74.5	Confident	69 Å²	69	66.7 Å²	66.7	26%	0.26	36%	0.36	S	S	.	.			trans	76.5	26.1	163.8	-40	177.2	-177.8	179.8	-0.7	116.9	F987 A1018 N1019 D1053 K1150 T1181	F987-R989 PolarHBondContact O-N 3.43Å; R989-A1018 HydrophobicContact CB-CB 4.23Å; R989-N1019 PolarHBondContact NH1-OD1 3.33Å; R989-N1019 VanDerWaalsContact NH1-OD1 3.07Å; R989-D1053 PolarHBondContact N-OD1 3.42Å; R989-D1053 PolarHBondContact N-OD2 3.07Å; R989-K1150 HydrophobicContact CG-CB 3.96Å; R989-T1181 PolarHBondContact O-OG1 3.08Å
990	W	85.3	Confident	75.8	Confident	70 Å²	70	65.1 Å²	65.1	27%	0.265	34%	0.335	S	S	.	.			trans	-120.5	156.3	176.8	62.7	-87.6	0	0	0	113.8	T988 L992 V1016 Y1052 D1053	T988-W990 PolarHBondContact OG1-NE1 3.44Å; W990-L992 HydrophobicContact CE3-CB 4.07Å; W990-L992 HydrophobicContact CZ3-CB 3.52Å; W990-L992 HydrophobicContact CZ3-CD2 4.12Å; W990-L992 HydrophobicContact CZ3-CG 4.46Å; W990-V1016 VanDerWaalsContact CA-O 3.3Å; W990-V1016 WeakPolarHBondContact CA-O 3.42Å; W990-V1016 WeakPolarHBondContact CB-O 3.39Å; W990-Y1052 WeakPolarHBondContact O-CD2 3.47Å; W990-D1053 VanDerWaalsContact CE2-CA 3.5Å; W990-D1053 WeakPolarHBondContact CH2-O 3.31Å; W990-D1053 WeakPolarHBondContact CZ2-O 3.49Å; W990-D1053 PolarHBondContact N-OD1 3.37Å; W990-D1053 PolarHBondContact NE1-OD1 3.37Å; W990-D1053 PolarHBondContact O-N 3.03Å
991	F	90.2	Very high	77.2	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.3	174.1	-79.1	-77.3	0	0	0	111.1	V1016 L1039 I1050 R1051 Y1052 L1057 I1069 I1151 M1153	F991-V1016 HydrophobicContact CB-CB 4.01Å; F991-V1016 HydrophobicContact CB-CG2 3.98Å; F991-V1016 PolarHBondContact N-O 2.92Å; F991-V1016 VanDerWaalsContact N-O 3.08Å; F991-V1016 PolarHBondContact O-N 2.92Å; F991-L1039 HydrophobicContact CB-CD2 4.03Å; F991-L1039 HydrophobicContact CD1-CD2 3.67Å; F991-L1039 HydrophobicContact CD2-CD2 4.29Å; F991-L1039 HydrophobicContact CE1-CD2 4.1Å; F991-L1039 HydrophobicContact CG-CD2 3.77Å; F991-I1050 HydrophobicContact CD1-CG2 4.43Å; F991-R1051 WeakPolarHBondContact CA-O 3.44Å; F991-R1051 WeakPolarHBondContact CD1-O 3.46Å; F991-Y1052 AromaticContact CD1-CD2 3.67Å; F991-Y1052 HydrophobicContact CD1-CD2 3.67Å; F991-Y1052 HydrophobicContact CD1-CG 4.24Å; F991-Y1052 HydrophobicContact CD2-CD2 4.08Å; F991-Y1052 HydrophobicContact CD2-CE2 4.39Å; F991-Y1052 AromaticContact CE1-CD2 3.33Å; F991-Y1052 HydrophobicContact CE1-CD2 3.33Å; F991-Y1052 HydrophobicContact CE1-CE2 4.24Å; F991-Y1052 AromaticContact CE1-CG 3.73Å; F991-Y1052 HydrophobicContact CE1-CG 3.73Å; F991-Y1052 AromaticContact CE2-CD2 3.77Å; F991-Y1052 HydrophobicContact CE2-CD2 3.77Å; F991-Y1052 AromaticContact CE2-CE2 3.92Å; F991-Y1052 HydrophobicContact CE2-CE2 3.92Å; F991-Y1052 HydrophobicContact CG-CD2 4.04Å; F991-Y1052 AromaticContact CZ-CD2 3.37Å; F991-Y1052 HydrophobicContact CZ-CD2 3.37Å; F991-Y1052 AromaticContact CZ-CE2 3.82Å; F991-Y1052 HydrophobicContact CZ-CE2 3.82Å; F991-Y1052 HydrophobicContact CZ-CG 4.04Å; F991-L1057 HydrophobicContact CE1-CD1 4.45Å; F991-I1069 HydrophobicContact CE2-CD1 4.46Å; F991-I1069 HydrophobicContact CZ-CD1 4.05Å; F991-I1151 HydrophobicContact CD2-CD1 3.67Å; F991-I1151 HydrophobicContact CE2-CD1 3.35Å; F991-I1151 HydrophobicContact CE2-CG2 4.44Å; F991-I1151 HydrophobicContact CZ-CD1 4.35Å; F991-M1153 HydrophobicContact CE2-CE 3.8Å; F991-M1153 HydrophobicContact CZ-CE 4.35Å
992	L	92.7	Very high	78.4	Confident	37 Å²	37	60.6 Å²	60.6	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.1	173.7	164.8	67.9	0	0	0	110.3	W990 N1015 I1050 R1051	W990-L992 HydrophobicContact CE3-CB 4.07Å; W990-L992 HydrophobicContact CZ3-CB 3.52Å; W990-L992 HydrophobicContact CZ3-CD2 4.12Å; W990-L992 HydrophobicContact CZ3-CG 4.46Å; L992-N1015 WeakPolarHBondContact CD1-OD1 3.26Å; L992-I1050 CarbonylContact O-C 3.55Å; L992-I1050 WeakPolarHBondContact O-CA 3.41Å; L992-R1051 HydrophobicContact CB-CB 4.33Å; L992-R1051 PolarHBondContact N-O 3.46Å; L992-R1051 PolarHBondContact O-N 3.43Å
993	M	94.3	Very high	79.8	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.9	171.1	-61.4	-179.5	72.3	0	0	108.1	I996 L1012 N1013 L1014 I1035 L1038 L1039 I1050	M993-I996 HydrophobicContact CB-CG1 3.85Å; M993-I996 HydrophobicContact CE-CB 4.44Å; M993-I996 HydrophobicContact CE-CG1 3.88Å; M993-I996 HydrophobicContact CE-CG2 4.29Å; M993-L1012 HydrophobicContact CE-CD2 4.24Å; M993-N1013 CarbonylContact O-C 3.54Å; M993-N1013 VanDerWaalsContact O-CA 3.26Å; M993-N1013 WeakPolarHBondContact O-CA 3.26Å; M993-L1014 HydrophobicContact CB-CB 4.14Å; M993-L1014 PolarHBondContact N-O 2.69Å; M993-L1014 PolarHBondContact O-N 3.04Å; M993-L1014 HydrophobicContact SD-CB 4.34Å; M993-L1014 HydrophobicContact SD-CD2 4.2Å; M993-I1035 HydrophobicContact SD-CG2 4.04Å; M993-L1038 HydrophobicContact CE-CB 4.32Å; M993-L1038 HydrophobicContact CE-CD1 3.9Å; M993-L1039 HydrophobicContact CG-CD2 4.23Å; M993-L1039 HydrophobicContact SD-CD2 4.05Å; M993-L1039 HydrophobicContact SD-CG 4.45Å; M993-I1050 HydrophobicContact CE-CD1 4.19Å; M993-I1050 HydrophobicContact CE-CG1 4.44Å; M993-I1050 HydrophobicContact CG-CG1 4.24Å; M993-I1050 HydrophobicContact CG-CG2 4.26Å
994	K	93.5	Very high	81.3	Confident	136 Å²	136	63 Å²	63	59%	0.591	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	118.6	-179.1	-167.9	176.9	-179.2	177.7	0	111.3	I996 N1013 G1048 T1049	K994-I996 PolarHBondContact O-N 3.09Å; K994-N1013 WeakPolarHBondContact CA-OD1 3.49Å; K994-G1048 VanDerWaalsContact O-CA 3.3Å; K994-G1048 WeakPolarHBondContact O-CA 3.08Å; K994-T1049 PolarHBondContact N-O 3.05Å; K994-T1049 PolarHBondContact O-N 2.83Å
995	G	92.8	Very high	82.8	Confident	25 Å²	25	62.2 Å²	62.2	26%	0.258	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.3	42.4	174.5	0	0	0	0	0	113.8	H997 L1012 N1013 G1048	G995-H997 PolarHBondContact O-CD2 3.44Å; G995-H997 PolarHBondContact O-N 3.46Å; G995-L1012 PolarHBondContact N-O 3.22Å; G995-N1013 PolarHBondContact N-OD1 2.97Å; G995-G1048 WeakPolarHBondContact O-CA 3.33Å
996	I	94.7	Very high	84.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.9	-173.4	-59.9	-60	0	0	0	111.2	M993 K994 F998 F1009 G1011 L1012 L1038 P1045 R1047 I1050	M993-I996 HydrophobicContact CB-CG1 3.85Å; M993-I996 HydrophobicContact CE-CB 4.44Å; M993-I996 HydrophobicContact CE-CG1 3.88Å; M993-I996 HydrophobicContact CE-CG2 4.29Å; K994-I996 PolarHBondContact O-N 3.09Å; I996-F998 HydrophobicContact CG2-CB 4.41Å; I996-F1009 HydrophobicContact CG2-CB 4.47Å; I996-F1009 HydrophobicContact CG2-CD2 4.09Å; I996-F1009 WeakPolarHBondContact O-CB 3.14Å; I996-G1011 CarbonylContact O-C 3.58Å; I996-G1011 VanDerWaalsContact O-CA 3.28Å; I996-G1011 WeakPolarHBondContact O-CA 3.16Å; I996-G1011 PolarHBondContact O-N 3.27Å; I996-L1012 HydrophobicContact CB-CB 4.2Å; I996-L1012 PolarHBondContact N-O 2.9Å; I996-L1012 PolarHBondContact O-N 3.12Å; I996-L1038 HydrophobicContact CG2-CD1 4.02Å; I996-P1045 HydrophobicContact CD1-CB 4.14Å; I996-P1045 HydrophobicContact CD1-CG 4.07Å; I996-P1045 HydrophobicContact CG2-CB 3.92Å; I996-R1047 WeakPolarHBondContact CA-O 3.41Å; I996-I1050 HydrophobicContact CD1-CD1 4.44Å; I996-I1050 HydrophobicContact CD1-CG1 3.66Å; I996-I1050 HydrophobicContact CG1-CG1 4.45Å
997	H	94.2	Very high	85.9	Confident	66 Å²	66	59 Å²	59	31%	0.306	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.8	163.6	-64.5	-105.8	0	0	0	109	G995 F1009 R1010 G1011 N1046 R1047	G995-H997 PolarHBondContact O-CD2 3.44Å; G995-H997 PolarHBondContact O-N 3.46Å; H997-F1009 VanDerWaalsContact CA-O 3.32Å; H997-F1009 WeakPolarHBondContact CA-O 3.14Å; H997-R1010 VanDerWaalsContact CE1-C 3.49Å; H997-G1011 PolarHBondContact CE1-N 2.96Å; H997-N1046 PolarHBondContact O-N 2.97Å; H997-R1047 HydrophobicContact CB-CB 3.96Å; H997-R1047 PolarHBondContact N-O 3Å; H997-R1047 PolarHBondContact O-N 3.42Å
998	F	94.4	Very high	87.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	134.2	-176.2	-178.9	-107.5	0	0	0	112.4	I996 Y1000 I1008 F1009 T1034 L1038 Y1043 N1046	I996-F998 HydrophobicContact CG2-CB 4.41Å; F998-Y1000 HydrophobicContact CE1-CD1 4.07Å; F998-Y1000 AromaticContact CE1-CD2 3.88Å; F998-Y1000 HydrophobicContact CE1-CD2 3.88Å; F998-Y1000 HydrophobicContact CE1-CE1 4.06Å; F998-Y1000 AromaticContact CE1-CE2 3.86Å; F998-Y1000 HydrophobicContact CE1-CE2 3.86Å; F998-Y1000 AromaticContact CE1-CG 3.98Å; F998-Y1000 HydrophobicContact CE1-CG 3.98Å; F998-Y1000 AromaticContact CE1-CZ 3.94Å; F998-Y1000 AromaticContact CZ-CD1 3.99Å; F998-Y1000 HydrophobicContact CZ-CD1 3.99Å; F998-Y1000 HydrophobicContact CZ-CE1 4.17Å; F998-Y1000 HydrophobicContact CZ-CG 4.17Å; F998-I1008 HydrophobicContact CD1-CB 4.26Å; F998-I1008 HydrophobicContact CD1-CG1 4.5Å; F998-I1008 PolarHBondContact O-N 3.43Å; F998-F1009 HydrophobicContact CB-CB 4.32Å; F998-F1009 HydrophobicContact CB-CD2 3.91Å; F998-F1009 PolarHBondContact N-O 3.5Å; F998-F1009 PolarHBondContact O-N 3.11Å; F998-F1009 VanDerWaalsContact O-N 3.12Å; F998-T1034 HydrophobicContact CD1-CG2 3.44Å; F998-T1034 VanDerWaalsContact CD1-CG2 3.44Å; F998-T1034 HydrophobicContact CE1-CG2 3.34Å; F998-T1034 HydrophobicContact CZ-CG2 4.39Å; F998-L1038 HydrophobicContact CB-CD1 4.41Å; F998-L1038 HydrophobicContact CD2-CD2 3.93Å; F998-L1038 HydrophobicContact CE2-CD2 4.03Å; F998-L1038 HydrophobicContact CG-CD1 4.33Å; F998-L1038 HydrophobicContact CG-CD2 4.26Å; F998-L1038 HydrophobicContact CZ-CD2 4.47Å; F998-Y1043 HydrophobicContact CE2-CG 4.18Å; F998-Y1043 HydrophobicContact CZ-CD1 4.29Å; F998-Y1043 HydrophobicContact CZ-CD2 4.21Å; F998-Y1043 AromaticContact CZ-CG 3.81Å; F998-Y1043 HydrophobicContact CZ-CG 3.81Å; F998-N1046 VanDerWaalsContact CA-OD1 3.25Å; F998-N1046 WeakPolarHBondContact CA-OD1 3.26Å
999	A	91.4	Very high	88.9	Confident	10 Å²	10	55.3 Å²	55.3	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.5	164.6	0	0	0	0	0	108.7	P1004 V1006 N1046	A999-P1004 WeakPolarHBondContact CB-O 3.44Å; A999-V1006 WeakPolarHBondContact CB-O 3.37Å; A999-N1046 PolarHBondContact N-OD1 2.87Å
1000	Y	89.7	Confident	89.5	Confident	58 Å²	58	61.5 Å²	61.5	23%	0.227	31%	0.31	C	S	.	.			trans	-66.2	135.2	176.6	-80.5	-83.5	0	0	0	110	F998 A1002 R1003 I1008 T1034 Y1043	F998-Y1000 HydrophobicContact CE1-CD1 4.07Å; F998-Y1000 AromaticContact CE1-CD2 3.88Å; F998-Y1000 HydrophobicContact CE1-CD2 3.88Å; F998-Y1000 HydrophobicContact CE1-CE1 4.06Å; F998-Y1000 AromaticContact CE1-CE2 3.86Å; F998-Y1000 HydrophobicContact CE1-CE2 3.86Å; F998-Y1000 AromaticContact CE1-CG 3.98Å; F998-Y1000 HydrophobicContact CE1-CG 3.98Å; F998-Y1000 AromaticContact CE1-CZ 3.94Å; F998-Y1000 AromaticContact CZ-CD1 3.99Å; F998-Y1000 HydrophobicContact CZ-CD1 3.99Å; F998-Y1000 HydrophobicContact CZ-CE1 4.17Å; F998-Y1000 HydrophobicContact CZ-CG 4.17Å; Y1000-A1002 PolarHBondContact O-N 3.39Å; Y1000-A1002 VanDerWaalsContact O-N 3.12Å; Y1000-R1003 CarbonylContact O-C 3.6Å; Y1000-R1003 WeakPolarHBondContact O-CA 3.49Å; Y1000-R1003 PolarHBondContact O-N 2.97Å; Y1000-I1008 HydrophobicContact CD2-CD1 4.38Å; Y1000-I1008 HydrophobicContact CD2-CG1 3.85Å; Y1000-I1008 HydrophobicContact CE2-CD1 4.45Å; Y1000-I1008 HydrophobicContact CE2-CG1 3.96Å; Y1000-T1034 HydrophobicContact CE2-CG2 4.14Å; Y1000-T1034 WeakPolarHBondContact OH-CG2 3.44Å; Y1000-T1034 PolarHBondContact OH-OG1 3.4Å; Y1000-Y1043 HydrophobicContact CD1-CD1 4.48Å; Y1000-Y1043 AromaticContact CD1-CE1 4Å; Y1000-Y1043 HydrophobicContact CD1-CE1 4Å; Y1000-Y1043 HydrophobicContact CD1-CE2 4.25Å; Y1000-Y1043 AromaticContact CD1-CZ 3.88Å; Y1000-Y1043 HydrophobicContact CE1-CD2 4.18Å; Y1000-Y1043 HydrophobicContact CE1-CE1 4.21Å; Y1000-Y1043 AromaticContact CE1-CE2 3.63Å; Y1000-Y1043 HydrophobicContact CE1-CE2 3.63Å; Y1000-Y1043 AromaticContact CE1-CZ 3.64Å
1001	P	86.6	Confident	89.7	Confident	61 Å²	61	59.3 Å²	59.3	40%	0.396	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-178.3	-28.5	36.7	0	0	0	114.5	R1003 Y1043	P1001-R1003 VanDerWaalsContact C-N 3.26Å; P1001-R1003 PolarHBondContact O-N 3.28Å; P1001-Y1043 HydrophobicContact CG-CD1 4.41Å
1002	A	81.4	Confident	89.8	Confident	48 Å²	48	59.5 Å²	59.5	40%	0.397	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.1	175.8	0	0	0	0	0	113.6	D761 Y1000	D761-A1002 HydrophobicContact CB-CB 4.28Å; Y1000-A1002 PolarHBondContact O-N 3.39Å; Y1000-A1002 VanDerWaalsContact O-N 3.12Å
1003	R	84.4	Confident	89.8	Confident	181 Å²	181	62.2 Å²	62.2	68%	0.683	33%	0.325	S	S	*	.			trans	-142.3	69.4	178.7	-66.6	-173.6	-179.3	179.1	-0.2	110	Y1000 P1001 D1005 V1006	Y1000-R1003 CarbonylContact O-C 3.6Å; Y1000-R1003 WeakPolarHBondContact O-CA 3.49Å; Y1000-R1003 PolarHBondContact O-N 2.97Å; P1001-R1003 VanDerWaalsContact C-N 3.26Å; P1001-R1003 PolarHBondContact O-N 3.28Å; R1003-D1005 PolarHBondContact O-N 3.26Å; R1003-V1006 PolarHBondContact O-N 3.12Å
1004	P	84.2	Confident	89.8	Confident	85 Å²	85	62.4 Å²	62.4	55%	0.552	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.8	-173.7	27.1	-34.5	0	0	0	112.9	A999 V1006	A999-P1004 WeakPolarHBondContact CB-O 3.44Å; P1004-V1006 VanDerWaalsContact C-N 3.26Å; P1004-V1006 PolarHBondContact O-N 2.85Å
1005	D	85	Confident	89.7	Confident	140 Å²	140	59.6 Å²	59.6	75%	0.749	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.4	-177.5	-45.4	-46.5	0	0	0	112.6	R1003	R1003-D1005 PolarHBondContact O-N 3.26Å
1006	V	84.6	Confident	89.6	Confident	85 Å²	85	58.5 Å²	58.5	52%	0.515	31%	0.306	S	S	.	.	S	Bend	trans	-104.7	97.5	-179.3	-174.6	0	0	0	0	110.2	A999 R1003 P1004 I1008	A999-V1006 WeakPolarHBondContact CB-O 3.37Å; R1003-V1006 PolarHBondContact O-N 3.12Å; P1004-V1006 VanDerWaalsContact C-N 3.26Å; P1004-V1006 PolarHBondContact O-N 2.85Å; V1006-I1008 HydrophobicContact CG1-CD1 4.49Å; V1006-I1008 PolarHBondContact O-N 2.66Å
1007	S	88.2	Confident	89.4	Confident	50 Å²	50	63.3 Å²	63.3	35%	0.35	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.4	175	-172.6	0	0	0	0	111.2	F1009	S1007-F1009 PolarHBondContact OG-O 2.9Å; S1007-F1009 VanDerWaalsContact OG-O 3.08Å
1008	I	91.1	Very high	89.1	Confident	36 Å²	36	61.9 Å²	61.9	19%	0.185	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-42.1	175.9	-57.8	-60.9	0	0	0	111.4	F998 Y1000 V1006 T1034 G1204	F998-I1008 HydrophobicContact CD1-CB 4.26Å; F998-I1008 HydrophobicContact CD1-CG1 4.5Å; F998-I1008 PolarHBondContact O-N 3.43Å; Y1000-I1008 HydrophobicContact CD2-CD1 4.38Å; Y1000-I1008 HydrophobicContact CD2-CG1 3.85Å; Y1000-I1008 HydrophobicContact CE2-CD1 4.45Å; Y1000-I1008 HydrophobicContact CE2-CG1 3.96Å; V1006-I1008 HydrophobicContact CG1-CD1 4.49Å; V1006-I1008 PolarHBondContact O-N 2.66Å; I1008-T1034 HydrophobicContact CG2-CG2 4.37Å; I1008-G1204 WeakPolarHBondContact O-CA 3.39Å
1009	F	92.8	Very high	88.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.2	178.3	-60.8	-42.2	0	0	0	111.5	I996 H997 F998 S1007 L1012 G1031 T1034 I1035 L1038 M1201 G1204	I996-F1009 HydrophobicContact CG2-CB 4.47Å; I996-F1009 HydrophobicContact CG2-CD2 4.09Å; I996-F1009 WeakPolarHBondContact O-CB 3.14Å; H997-F1009 VanDerWaalsContact CA-O 3.32Å; H997-F1009 WeakPolarHBondContact CA-O 3.14Å; F998-F1009 HydrophobicContact CB-CB 4.32Å; F998-F1009 HydrophobicContact CB-CD2 3.91Å; F998-F1009 PolarHBondContact N-O 3.5Å; F998-F1009 PolarHBondContact O-N 3.11Å; F998-F1009 VanDerWaalsContact O-N 3.12Å; S1007-F1009 PolarHBondContact OG-O 2.9Å; S1007-F1009 VanDerWaalsContact OG-O 3.08Å; F1009-L1012 HydrophobicContact CB-CB 4.2Å; F1009-L1012 HydrophobicContact CD1-CB 4.41Å; F1009-L1012 HydrophobicContact CD1-CD2 4.05Å; F1009-L1012 HydrophobicContact CD2-CD2 4.15Å; F1009-L1012 HydrophobicContact CE1-CD2 4.01Å; F1009-L1012 HydrophobicContact CE2-CD2 4.09Å; F1009-L1012 HydrophobicContact CG-CB 4.23Å; F1009-L1012 HydrophobicContact CG-CD2 4.14Å; F1009-L1012 HydrophobicContact CZ-CD2 4.01Å; F1009-G1031 VanDerWaalsContact CZ-O 3.32Å; F1009-G1031 WeakPolarHBondContact CZ-O 3.45Å; F1009-T1034 HydrophobicContact CE2-CG2 3.81Å; F1009-T1034 HydrophobicContact CZ-CG2 4.27Å; F1009-I1035 HydrophobicContact CE2-CG1 4.28Å; F1009-I1035 HydrophobicContact CZ-CG1 3.78Å; F1009-L1038 HydrophobicContact CD2-CD1 3.93Å; F1009-L1038 HydrophobicContact CE2-CD1 3.72Å; F1009-M1201 HydrophobicContact CD1-CE 4.29Å; F1009-M1201 HydrophobicContact CE1-CE 3.5Å; F1009-M1201 HydrophobicContact CZ-CE 4.22Å; F1009-G1204 WeakPolarHBondContact CD1-O 3.44Å
1010	R	87.9	Confident	88.8	Confident	198 Å²	198	70.3 Å²	70.3	75%	0.747	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	57.2	-179.9	-60.5	-179.2	-175.4	176.1	1	111.6	H997	H997-R1010 VanDerWaalsContact CE1-C 3.49Å
1011	G	89.2	Confident	88.9	Confident	24 Å²	24	68 Å²	68	25%	0.247	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.2	36.7	178.8	0	0	0	0	0	114.4	I996 H997 N1013	I996-G1011 CarbonylContact O-C 3.58Å; I996-G1011 VanDerWaalsContact O-CA 3.28Å; I996-G1011 WeakPolarHBondContact O-CA 3.16Å; I996-G1011 PolarHBondContact O-N 3.27Å; H997-G1011 PolarHBondContact CE1-N 2.96Å; G1011-N1013 PolarHBondContact O-N 3.47Å; G1011-N1013 PolarHBondContact O-ND2 3.32Å
1012	L	92.6	Very high	89.3	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.7	-179.1	-178.3	77.7	0	0	0	111.7	M993 G995 I996 F1009 I1035 M1201 I1206	M993-L1012 HydrophobicContact CE-CD2 4.24Å; G995-L1012 PolarHBondContact N-O 3.22Å; I996-L1012 HydrophobicContact CB-CB 4.2Å; I996-L1012 PolarHBondContact N-O 2.9Å; I996-L1012 PolarHBondContact O-N 3.12Å; F1009-L1012 HydrophobicContact CB-CB 4.2Å; F1009-L1012 HydrophobicContact CD1-CB 4.41Å; F1009-L1012 HydrophobicContact CD1-CD2 4.05Å; F1009-L1012 HydrophobicContact CD2-CD2 4.15Å; F1009-L1012 HydrophobicContact CE1-CD2 4.01Å; F1009-L1012 HydrophobicContact CE2-CD2 4.09Å; F1009-L1012 HydrophobicContact CG-CB 4.23Å; F1009-L1012 HydrophobicContact CG-CD2 4.14Å; F1009-L1012 HydrophobicContact CZ-CD2 4.01Å; L1012-I1035 HydrophobicContact CD2-CD1 4.17Å; L1012-I1035 HydrophobicContact CD2-CG1 4.19Å; L1012-M1201 HydrophobicContact CD1-CE 3.92Å; L1012-M1201 HydrophobicContact CD2-CE 4.34Å; L1012-I1206 HydrophobicContact CD1-CD1 4.05Å; L1012-I1206 HydrophobicContact CD1-CG1 3.67Å
1013	N	93.4	Very high	89.9	Confident	93 Å²	93	63.1 Å²	63.1	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	171.1	-62.9	-66.1	0	0	0	109.3	M993 K994 G995 G1011 I1206	M993-N1013 CarbonylContact O-C 3.54Å; M993-N1013 VanDerWaalsContact O-CA 3.26Å; M993-N1013 WeakPolarHBondContact O-CA 3.26Å; K994-N1013 WeakPolarHBondContact CA-OD1 3.49Å; G995-N1013 PolarHBondContact N-OD1 2.97Å; G1011-N1013 PolarHBondContact O-N 3.47Å; G1011-N1013 PolarHBondContact O-ND2 3.32Å; N1013-I1206 WeakPolarHBondContact O-CD1 3.31Å
1014	L	93	Very high	90.3	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.6	-178.4	-178.2	67.8	0	0	0	111.2	M993 L1022 I1024 I1035 V1199 I1206	M993-L1014 HydrophobicContact CB-CB 4.14Å; M993-L1014 PolarHBondContact N-O 2.69Å; M993-L1014 PolarHBondContact O-N 3.04Å; M993-L1014 HydrophobicContact SD-CB 4.34Å; M993-L1014 HydrophobicContact SD-CD2 4.2Å; L1014-L1022 HydrophobicContact CD1-CD2 3.94Å; L1014-L1022 HydrophobicContact CD2-CD2 4.09Å; L1014-L1022 HydrophobicContact CG-CD2 4.21Å; L1014-I1024 HydrophobicContact CD2-CD1 4.31Å; L1014-I1035 HydrophobicContact CD2-CD1 4.1Å; L1014-I1035 HydrophobicContact CD2-CG2 3.95Å; L1014-V1199 HydrophobicContact CD1-CB 4.43Å; L1014-V1199 HydrophobicContact CD1-CG1 4.2Å; L1014-V1199 HydrophobicContact CD1-CG2 3.87Å; L1014-I1206 HydrophobicContact CB-CD1 4.35Å; L1014-I1206 HydrophobicContact CD1-CD1 3.81Å
1015	N	91.7	Very high	90.6	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.2	176.6	-64.8	-1.1	0	0	0	110.1	L992 F1017	L992-N1015 WeakPolarHBondContact CD1-OD1 3.26Å; N1015-F1017 HydrophobicContact CB-CE1 4.45Å; N1015-F1017 HydrophobicContact CB-CE2 4.26Å; N1015-F1017 HydrophobicContact CB-CZ 4.02Å
1016	V	91.3	Very high	90.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.7	173.5	-171.9	0	0	0	0	107.9	W990 F991 L1022 T1181 I1183	W990-V1016 VanDerWaalsContact CA-O 3.3Å; W990-V1016 WeakPolarHBondContact CA-O 3.42Å; W990-V1016 WeakPolarHBondContact CB-O 3.39Å; F991-V1016 HydrophobicContact CB-CB 4.01Å; F991-V1016 HydrophobicContact CB-CG2 3.98Å; F991-V1016 PolarHBondContact N-O 2.92Å; F991-V1016 VanDerWaalsContact N-O 3.08Å; F991-V1016 PolarHBondContact O-N 2.92Å; V1016-L1022 HydrophobicContact CG2-CD2 3.77Å; V1016-T1181 HydrophobicContact CG1-CG2 3.65Å; V1016-I1183 HydrophobicContact CG1-CD1 4.03Å; V1016-I1183 HydrophobicContact CG1-CG1 3.87Å; V1016-I1183 HydrophobicContact CG2-CD1 3.94Å; V1016-I1183 HydrophobicContact CG2-CG1 4.43Å
1017	F	89.7	Confident	90.4	Very high	101 Å²	101	42.5 Å²	42.5	44%	0.443	22%	0.221	S	C	.	.			trans	-82.9	147.7	-176.9	-60	-75	0	0	0	112.7	N1015 K1020 T1181	N1015-F1017 HydrophobicContact CB-CE1 4.45Å; N1015-F1017 HydrophobicContact CB-CE2 4.26Å; N1015-F1017 HydrophobicContact CB-CZ 4.02Å; F1017-K1020 HydrophobicContact CB-CB 4.34Å; F1017-K1020 HydrophobicContact CB-CD 4.03Å; F1017-K1020 HydrophobicContact CB-CG 4.32Å; F1017-K1020 PolarHBondContact O-N 3.22Å; F1017-T1181 WeakPolarHBondContact O-CG2 3.44Å
1018	A	89.1	Confident	89.9	Confident	36 Å²	36	44.6 Å²	44.6	30%	0.298	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	139.2	179.4	0	0	0	0	0	112.5	T988 R989 K1020 T1181	T988-A1018 VanDerWaalsContact O-CB 3.29Å; T988-A1018 WeakPolarHBondContact O-CB 3.4Å; R989-A1018 HydrophobicContact CB-CB 4.23Å; A1018-K1020 PolarHBondContact O-N 3.42Å; A1018-K1020 VanDerWaalsContact O-N 3.09Å; A1018-T1181 WeakPolarHBondContact CA-OG1 3.47Å
1019	N	88.2	Confident	89.2	Confident	86 Å²	86	46.5 Å²	46.5	46%	0.46	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	21.6	179.3	-54.1	-35.2	0	0	0	114.7	R989 T1181	R989-N1019 PolarHBondContact NH1-OD1 3.33Å; R989-N1019 VanDerWaalsContact NH1-OD1 3.07Å; N1019-T1181 PolarHBondContact N-OG1 2.89Å
1020	K	90.9	Very high	88.7	Confident	103 Å²	103	46.9 Å²	46.9	45%	0.448	27%	0.267	S	S	.	.			trans	-114.6	155.3	173.4	-65.3	-166	-179.7	-175.7	0	110.8	F1017 A1018 S1182 H1196	F1017-K1020 HydrophobicContact CB-CB 4.34Å; F1017-K1020 HydrophobicContact CB-CD 4.03Å; F1017-K1020 HydrophobicContact CB-CG 4.32Å; F1017-K1020 PolarHBondContact O-N 3.22Å; A1018-K1020 PolarHBondContact O-N 3.42Å; A1018-K1020 VanDerWaalsContact O-N 3.09Å; K1020-S1182 PolarHBondContact O-N 3.4Å; K1020-H1196 HydrophobicContact CB-CB 4.12Å; K1020-H1196 HydrophobicContact CD-CB 4.44Å; K1020-H1196 HydrophobicContact CG-CB 4.46Å
1021	T	92.3	Very high	88.7	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.5	173.2	-51.7	0	0	0	0	109.4	S1182 A1195 H1196 W1197	T1021-S1182 CarbonylContact C-O 3.52Å; T1021-S1182 VanDerWaalsContact CA-O 3.31Å; T1021-S1182 WeakPolarHBondContact CA-O 3.32Å; T1021-A1195 HydrophobicContact CG2-CB 4.19Å; T1021-H1196 PolarHBondContact N-ND1 2.95Å; T1021-H1196 PolarHBondContact O-N 3.43Å; T1021-H1196 VanDerWaalsContact O-N 3.12Å; T1021-W1197 PolarHBondContact O-N 3.43Å; T1021-W1197 VanDerWaalsContact O-N 3.12Å
1022	L	94.6	Very high	88.7	Confident	5 Å²	5	37 Å²	37	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.7	169.5	174.8	69.8	0	0	0	109.3	L1014 V1016 I1024 S1182 I1183 L1184 W1197 V1199	L1014-L1022 HydrophobicContact CD1-CD2 3.94Å; L1014-L1022 HydrophobicContact CD2-CD2 4.09Å; L1014-L1022 HydrophobicContact CG-CD2 4.21Å; V1016-L1022 HydrophobicContact CG2-CD2 3.77Å; L1022-I1024 HydrophobicContact CD2-CD1 4.29Å; L1022-I1024 HydrophobicContact CD2-CG1 4.25Å; L1022-I1024 HydrophobicContact CG-CG1 4.24Å; L1022-S1182 PolarHBondContact N-O 3.38Å; L1022-I1183 CarbonylContact O-C 3.59Å; L1022-I1183 WeakPolarHBondContact O-CA 3.28Å; L1022-L1184 PolarHBondContact O-N 3.33Å; L1022-W1197 CarbonylContact C-O 3.55Å; L1022-W1197 WeakPolarHBondContact CA-O 3.27Å; L1022-W1197 HydrophobicContact CD1-CB 4.29Å; L1022-W1197 HydrophobicContact CD1-CG 4.48Å; L1022-V1199 HydrophobicContact CD1-CB 4.26Å; L1022-V1199 HydrophobicContact CD1-CG2 3.71Å
1023	A	93.3	Very high	88.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137	170.1	0	0	0	0	0	111	L1184 V1192 A1195 W1197 I1198 V1199	A1023-L1184 CarbonylContact C-O 3.55Å; A1023-L1184 VanDerWaalsContact CA-O 3.3Å; A1023-L1184 WeakPolarHBondContact CA-O 3.49Å; A1023-V1192 HydrophobicContact CB-CB 3.75Å; A1023-V1192 HydrophobicContact CB-CG1 3.33Å; A1023-A1195 HydrophobicContact CB-CB 3.56Å; A1023-W1197 PolarHBondContact N-O 3.06Å; A1023-I1198 HydrophobicContact CB-CB 4.33Å; A1023-I1198 HydrophobicContact CB-CG1 4.03Å; A1023-I1198 HydrophobicContact CB-CG2 4.24Å; A1023-I1198 CarbonylContact O-C 3.55Å; A1023-I1198 WeakPolarHBondContact O-CA 3.28Å; A1023-V1199 PolarHBondContact O-N 3.11Å
1024	I	93.1	Very high	88.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.3	176	-54.1	174.6	0	0	0	108.4	L1014 L1022 K1032 I1035 I1183 L1184 I1185 A1186 V1199 M1201	L1014-I1024 HydrophobicContact CD2-CD1 4.31Å; L1022-I1024 HydrophobicContact CD2-CD1 4.29Å; L1022-I1024 HydrophobicContact CD2-CG1 4.25Å; L1022-I1024 HydrophobicContact CG-CG1 4.24Å; I1024-K1032 HydrophobicContact CG2-CB 4.29Å; I1024-K1032 HydrophobicContact CG2-CG 4.24Å; I1024-I1035 HydrophobicContact CD1-CB 4.46Å; I1024-I1035 HydrophobicContact CD1-CD1 3.85Å; I1024-I1035 HydrophobicContact CD1-CG2 4.1Å; I1024-I1035 HydrophobicContact CG2-CD1 4.31Å; I1024-I1183 HydrophobicContact CD1-CG2 3.85Å; I1024-I1183 HydrophobicContact CG1-CG2 4.5Å; I1024-L1184 PolarHBondContact N-O 3.49Å; I1024-I1185 HydrophobicContact CB-CG1 4.27Å; I1024-I1185 HydrophobicContact CD1-CG1 4.49Å; I1024-A1186 PolarHBondContact O-N 3.28Å; I1024-V1199 WeakPolarHBondContact CA-O 3.46Å; I1024-M1201 HydrophobicContact CG2-CG 3.99Å; I1024-M1201 HydrophobicContact CG2-SD 3.62Å
1025	V	90.8	Very high	88.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.7	-176.9	-65.2	0	0	0	0	110.9	L1189 V1192 I1198 V1199 V1200 M1201 Y1222	V1025-L1189 HydrophobicContact CB-CD2 4.35Å; V1025-L1189 HydrophobicContact CG1-CD2 3.99Å; V1025-V1192 HydrophobicContact CG1-CG1 4.19Å; V1025-V1192 HydrophobicContact CG1-CG2 3.95Å; V1025-I1198 HydrophobicContact CG2-CG2 3.92Å; V1025-V1199 PolarHBondContact N-O 2.99Å; V1025-V1200 HydrophobicContact CG2-CB 4.34Å; V1025-V1200 HydrophobicContact CG2-CG1 4.47Å; V1025-V1200 HydrophobicContact CG2-CG2 3.89Å; V1025-V1200 CarbonylContact O-C 3.56Å; V1025-V1200 WeakPolarHBondContact O-CA 3.36Å; V1025-M1201 PolarHBondContact O-N 2.93Å; V1025-Y1222 HydrophobicContact CG2-CD2 3.85Å; V1025-Y1222 HydrophobicContact CG2-CE2 4.01Å
1026	G	86.9	Confident	88.6	Confident	3 Å²	3	30.8 Å²	30.8	3%	0.031	20%	0.195	C	C	.	.			trans	158.5	173.4	179.5	0	0	0	0	0	111.8	K1032 M1201	G1026-K1032 PolarHBondContact O-NZ 3.47Å; G1026-M1201 WeakPolarHBondContact CA-O 3.24Å
1027	P	79.1	Confident	88.7	Confident	56 Å²	56	31.1 Å²	31.1	36%	0.364	20%	0.197	S	C	.	.	S	Bend	trans	-65.6	163.7	179.8	26.8	-31.7	0	0	0	112.1	C1030 K1032 M1201	P1027-C1030 HydrophobicContact CG-CB 4.25Å; P1027-C1030 PolarHBondContact O-N 3.18Å; P1027-C1030 PolarHBondContact O-SG 3.44Å; P1027-K1032 PolarHBondContact O-NZ 2.93Å; P1027-M1201 VanDerWaalsContact CD-O 3.29Å; P1027-M1201 WeakPolarHBondContact CD-O 3.49Å
1028	S	77.8	Confident	88.9	Confident	93 Å²	93	26.3 Å²	26.3	65%	0.65	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	142.5	173.9	-67.4	0	0	0	0	111	C1030	S1028-C1030 VanDerWaalsContact C-N 3.31Å; S1028-C1030 PolarHBondContact O-N 3.4Å
1029	G	76.3	Confident	89.1	Confident	77 Å²	77	24.6 Å²	24.6	79%	0.794	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-5	179.4	0	0	0	0	0	116.6	G1031	G1029-G1031 PolarHBondContact O-N 2.9Å; G1029-G1031 VanDerWaalsContact O-N 3.12Å
1030	C	82.6	Confident	89.2	Confident	8 Å²	8	20.6 Å²	20.6	5%	0.054	14%	0.14	C	C	.	.	S	Bend	trans	-73.6	0.1	179.3	69.4	0	0	0	0	115.3	P1027 S1028 K1032 G1204	P1027-C1030 HydrophobicContact CG-CB 4.25Å; P1027-C1030 PolarHBondContact O-N 3.18Å; P1027-C1030 PolarHBondContact O-SG 3.44Å; S1028-C1030 VanDerWaalsContact C-N 3.31Å; S1028-C1030 PolarHBondContact O-N 3.4Å; C1030-K1032 WeakPolarHBondContact SG-CG 3.42Å; C1030-G1204 PolarHBondContact O-N 2.94Å
1031	G	86.4	Confident	89.3	Confident	6 Å²	6	17 Å²	17	6%	0.062	12%	0.124	C	C	.	.	S	Bend	trans	101.9	5.4	174.2	0	0	0	0	0	116.3	F1009 G1029 S1033 T1034 I1035	F1009-G1031 VanDerWaalsContact CZ-O 3.32Å; F1009-G1031 WeakPolarHBondContact CZ-O 3.45Å; G1029-G1031 PolarHBondContact O-N 2.9Å; G1029-G1031 VanDerWaalsContact O-N 3.12Å; G1031-S1033 PolarHBondContact O-N 3.32Å; G1031-T1034 WeakPolarHBondContact O-CA 3.05Å; G1031-T1034 WeakPolarHBondContact O-CB 3.43Å; G1031-T1034 PolarHBondContact O-N 3.45Å; G1031-T1034 PolarHBondContact O-OG1 3.43Å; G1031-I1035 PolarHBondContact O-N 2.91Å
1032	K	89.7	Confident	89.3	Confident	8 Å²	8	16.8 Å²	16.8	4%	0.035	12%	0.122	C	C	.	.	H	α-helix	trans	-47.3	-60	-177	-48.6	-176.2	-66.2	-92.6	0	113.4	I1024 G1026 P1027 C1030 T1034 I1035 I1185	I1024-K1032 HydrophobicContact CG2-CB 4.29Å; I1024-K1032 HydrophobicContact CG2-CG 4.24Å; G1026-K1032 PolarHBondContact O-NZ 3.47Å; P1027-K1032 PolarHBondContact O-NZ 2.93Å; C1030-K1032 WeakPolarHBondContact SG-CG 3.42Å; K1032-T1034 PolarHBondContact O-N 2.84Å; K1032-T1034 VanDerWaalsContact O-N 3.16Å; K1032-I1035 VanDerWaalsContact O-CB 3.3Å; K1032-I1035 WeakPolarHBondContact O-CB 3.33Å; K1032-I1035 PolarHBondContact O-N 3.41Å; K1032-I1185 VanDerWaalsContact C-CD1 3.41Å; K1032-I1185 HydrophobicContact CB-CD1 4.1Å; K1032-I1185 HydrophobicContact CB-CG2 3.69Å; K1032-I1185 HydrophobicContact CD-CG2 4.07Å; K1032-I1185 HydrophobicContact CG-CG2 4.49Å; K1032-I1185 WeakPolarHBondContact O-CD1 3.36Å
1033	S	89.4	Confident	89.3	Confident	39 Å²	39	16.8 Å²	16.8	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-65.8	-19.5	-179.3	-48.8	0	0	0	0	113.4	G1031 I1035 I1036 S1037 D1155	G1031-S1033 PolarHBondContact O-N 3.32Å; S1033-I1035 VanDerWaalsContact C-N 3.26Å; S1033-I1035 PolarHBondContact O-N 3.13Å; S1033-I1036 PolarHBondContact O-N 3.32Å; S1033-S1037 PolarHBondContact O-N 2.97Å; S1033-S1037 VanDerWaalsContact O-N 3.08Å; S1033-S1037 PolarHBondContact O-OG 3.33Å; S1033-S1037 VanDerWaalsContact O-OG 3.05Å; S1033-D1155 WeakPolarHBondContact CB-OD1 3.37Å; S1033-D1155 WeakPolarHBondContact CB-OD2 3.42Å; S1033-D1155 PolarHBondContact OG-OD1 2.98Å
1034	T	92.1	Very high	89.3	Confident	9 Å²	9	19 Å²	19	6%	0.055	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-29.4	173.2	-49.6	0	0	0	0	111	F998 Y1000 I1008 F1009 G1031 K1032 S1037 L1038	F998-T1034 HydrophobicContact CD1-CG2 3.44Å; F998-T1034 VanDerWaalsContact CD1-CG2 3.44Å; F998-T1034 HydrophobicContact CE1-CG2 3.34Å; F998-T1034 HydrophobicContact CZ-CG2 4.39Å; Y1000-T1034 HydrophobicContact CE2-CG2 4.14Å; Y1000-T1034 WeakPolarHBondContact OH-CG2 3.44Å; Y1000-T1034 PolarHBondContact OH-OG1 3.4Å; I1008-T1034 HydrophobicContact CG2-CG2 4.37Å; F1009-T1034 HydrophobicContact CE2-CG2 3.81Å; F1009-T1034 HydrophobicContact CZ-CG2 4.27Å; G1031-T1034 WeakPolarHBondContact O-CA 3.05Å; G1031-T1034 WeakPolarHBondContact O-CB 3.43Å; G1031-T1034 PolarHBondContact O-N 3.45Å; G1031-T1034 PolarHBondContact O-OG1 3.43Å; K1032-T1034 PolarHBondContact O-N 2.84Å; K1032-T1034 VanDerWaalsContact O-N 3.16Å; T1034-S1037 PolarHBondContact O-N 3.09Å; T1034-L1038 HydrophobicContact CG2-CD1 4.41Å; T1034-L1038 HydrophobicContact CG2-CG 4.39Å; T1034-L1038 WeakPolarHBondContact O-CB 3.5Å; T1034-L1038 WeakPolarHBondContact O-CG 3.43Å; T1034-L1038 PolarHBondContact O-N 3.46Å
1035	I	93.8	Very high	89.3	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-50.2	173.8	-64.9	174.6	0	0	0	110.3	M993 F1009 L1012 L1014 I1024 G1031 K1032 S1033 S1037 L1038 L1039 M1201	M993-I1035 HydrophobicContact SD-CG2 4.04Å; F1009-I1035 HydrophobicContact CE2-CG1 4.28Å; F1009-I1035 HydrophobicContact CZ-CG1 3.78Å; L1012-I1035 HydrophobicContact CD2-CD1 4.17Å; L1012-I1035 HydrophobicContact CD2-CG1 4.19Å; L1014-I1035 HydrophobicContact CD2-CD1 4.1Å; L1014-I1035 HydrophobicContact CD2-CG2 3.95Å; I1024-I1035 HydrophobicContact CD1-CB 4.46Å; I1024-I1035 HydrophobicContact CD1-CD1 3.85Å; I1024-I1035 HydrophobicContact CD1-CG2 4.1Å; I1024-I1035 HydrophobicContact CG2-CD1 4.31Å; G1031-I1035 PolarHBondContact O-N 2.91Å; K1032-I1035 VanDerWaalsContact O-CB 3.3Å; K1032-I1035 WeakPolarHBondContact O-CB 3.33Å; K1032-I1035 PolarHBondContact O-N 3.41Å; S1033-I1035 VanDerWaalsContact C-N 3.26Å; S1033-I1035 PolarHBondContact O-N 3.13Å; I1035-S1037 VanDerWaalsContact C-N 3.27Å; I1035-S1037 PolarHBondContact O-N 3.42Å; I1035-L1038 PolarHBondContact O-N 3.33Å; I1035-L1039 HydrophobicContact CG2-CD1 3.91Å; I1035-L1039 HydrophobicContact CG2-CG 4.25Å; I1035-L1039 VanDerWaalsContact O-CG 3.31Å; I1035-L1039 WeakPolarHBondContact O-CG 3.41Å; I1035-L1039 PolarHBondContact O-N 3.17Å; I1035-M1201 HydrophobicContact CD1-CE 3.9Å; I1035-M1201 HydrophobicContact CD1-SD 3.35Å; I1035-M1201 WeakPolarHBondContact CD1-SD 3.44Å; I1035-M1201 HydrophobicContact CG1-SD 4.48Å
1036	I	93	Very high	89.3	Confident	3 Å²	3	25 Å²	25	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-42	176.7	-71.7	178	0	0	0	110.5	S1033 L1038 L1039 Q1040 L1071 M1153 D1155 I1185	S1033-I1036 PolarHBondContact O-N 3.32Å; I1036-L1038 VanDerWaalsContact C-N 3.33Å; I1036-L1038 PolarHBondContact O-N 2.92Å; I1036-L1039 PolarHBondContact O-N 3.37Å; I1036-Q1040 HydrophobicContact CG2-CG 4.39Å; I1036-Q1040 WeakPolarHBondContact O-CB 3.19Å; I1036-Q1040 WeakPolarHBondContact O-CG 3.48Å; I1036-Q1040 PolarHBondContact O-N 3.46Å; I1036-L1071 HydrophobicContact CG2-CD1 3.63Å; I1036-M1153 HydrophobicContact CD1-CB 4.23Å; I1036-M1153 HydrophobicContact CG1-CB 4.45Å; I1036-M1153 HydrophobicContact CG1-SD 4.43Å; I1036-M1153 HydrophobicContact CG2-SD 4.15Å; I1036-D1155 HydrophobicContact CD1-CB 3.59Å; I1036-I1185 HydrophobicContact CD1-CD1 3.4Å; I1036-I1185 VanDerWaalsContact CD1-CD1 3.4Å; I1036-I1185 HydrophobicContact CD1-CG1 3.9Å; I1036-I1185 HydrophobicContact CG1-CD1 3.73Å; I1036-I1185 HydrophobicContact CG1-CG1 4.45Å
1037	S	92.8	Very high	89.6	Confident	10 Å²	10	33.6 Å²	33.6	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-39	178.5	-60.8	0	0	0	0	112.8	S1033 T1034 I1035 R1041 F1042	S1033-S1037 PolarHBondContact O-N 2.97Å; S1033-S1037 VanDerWaalsContact O-N 3.08Å; S1033-S1037 PolarHBondContact O-OG 3.33Å; S1033-S1037 VanDerWaalsContact O-OG 3.05Å; T1034-S1037 PolarHBondContact O-N 3.09Å; I1035-S1037 VanDerWaalsContact C-N 3.27Å; I1035-S1037 PolarHBondContact O-N 3.42Å; S1037-R1041 PolarHBondContact O-N 2.99Å; S1037-F1042 WeakPolarHBondContact O-CB 3.03Å; S1037-F1042 PolarHBondContact O-N 3Å
1038	L	94.2	Very high	90.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.7	-39	175.7	-72.6	176.8	0	0	0	112.5	M993 I996 F998 F1009 T1034 I1035 I1036 R1041 Y1043 I1050	M993-L1038 HydrophobicContact CE-CB 4.32Å; M993-L1038 HydrophobicContact CE-CD1 3.9Å; I996-L1038 HydrophobicContact CG2-CD1 4.02Å; F998-L1038 HydrophobicContact CB-CD1 4.41Å; F998-L1038 HydrophobicContact CD2-CD2 3.93Å; F998-L1038 HydrophobicContact CE2-CD2 4.03Å; F998-L1038 HydrophobicContact CG-CD1 4.33Å; F998-L1038 HydrophobicContact CG-CD2 4.26Å; F998-L1038 HydrophobicContact CZ-CD2 4.47Å; F1009-L1038 HydrophobicContact CD2-CD1 3.93Å; F1009-L1038 HydrophobicContact CE2-CD1 3.72Å; T1034-L1038 HydrophobicContact CG2-CD1 4.41Å; T1034-L1038 HydrophobicContact CG2-CG 4.39Å; T1034-L1038 WeakPolarHBondContact O-CB 3.5Å; T1034-L1038 WeakPolarHBondContact O-CG 3.43Å; T1034-L1038 PolarHBondContact O-N 3.46Å; I1035-L1038 PolarHBondContact O-N 3.33Å; I1036-L1038 VanDerWaalsContact C-N 3.33Å; I1036-L1038 PolarHBondContact O-N 2.92Å; L1038-R1041 WeakPolarHBondContact O-CA 3.33Å; L1038-R1041 PolarHBondContact O-N 3.29Å; L1038-Y1043 WeakPolarHBondContact CD2-O 3.48Å; L1038-I1050 HydrophobicContact CB-CD1 3.81Å
1039	L	93.1	Very high	90.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-34.1	176.9	-67.4	178.9	0	0	0	112.3	F991 M993 I1035 I1036 R1041 I1050 L1057 M1153 I1183	F991-L1039 HydrophobicContact CB-CD2 4.03Å; F991-L1039 HydrophobicContact CD1-CD2 3.67Å; F991-L1039 HydrophobicContact CD2-CD2 4.29Å; F991-L1039 HydrophobicContact CE1-CD2 4.1Å; F991-L1039 HydrophobicContact CG-CD2 3.77Å; M993-L1039 HydrophobicContact CG-CD2 4.23Å; M993-L1039 HydrophobicContact SD-CD2 4.05Å; M993-L1039 HydrophobicContact SD-CG 4.45Å; I1035-L1039 HydrophobicContact CG2-CD1 3.91Å; I1035-L1039 HydrophobicContact CG2-CG 4.25Å; I1035-L1039 VanDerWaalsContact O-CG 3.31Å; I1035-L1039 WeakPolarHBondContact O-CG 3.41Å; I1035-L1039 PolarHBondContact O-N 3.17Å; I1036-L1039 PolarHBondContact O-N 3.37Å; L1039-R1041 PolarHBondContact O-N 2.97Å; L1039-I1050 HydrophobicContact CD2-CG2 3.97Å; L1039-L1057 WeakPolarHBondContact O-CD2 3.42Å; L1039-M1153 HydrophobicContact CB-CE 3.8Å; L1039-M1153 HydrophobicContact CB-SD 4.44Å; L1039-M1153 HydrophobicContact CD1-CE 4.05Å; L1039-I1183 HydrophobicContact CD1-CD1 3.4Å; L1039-I1183 VanDerWaalsContact CD1-CD1 3.4Å
1040	Q	91.9	Very high	91.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.1	169.2	-70.9	-73.9	42	0	0	113.4	I1036 F1042 R1066 M1153	I1036-Q1040 HydrophobicContact CG2-CG 4.39Å; I1036-Q1040 WeakPolarHBondContact O-CB 3.19Å; I1036-Q1040 WeakPolarHBondContact O-CG 3.48Å; I1036-Q1040 PolarHBondContact O-N 3.46Å; Q1040-F1042 VanDerWaalsContact C-N 3.26Å; Q1040-F1042 HydrophobicContact CB-CD1 4.3Å; Q1040-F1042 HydrophobicContact CB-CD2 4.2Å; Q1040-F1042 HydrophobicContact CB-CE1 4.16Å; Q1040-F1042 HydrophobicContact CB-CE2 4.06Å; Q1040-F1042 HydrophobicContact CB-CG 4.32Å; Q1040-F1042 HydrophobicContact CB-CZ 4.05Å; Q1040-F1042 PolarHBondContact O-N 2.83Å; Q1040-R1066 PolarHBondContact O-NE 2.81Å; Q1040-R1066 VanDerWaalsContact O-NE 3.09Å; Q1040-R1066 PolarHBondContact O-NH2 2.9Å; Q1040-M1153 HydrophobicContact CG-SD 4.34Å
1041	R	92.6	Very high	92.1	Very high	27 Å²	27	32.7 Å²	32.7	10%	0.102	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	46.7	-175.8	-156.4	-171.1	175.4	-165.7	-12.7	112.1	I974 S1037 L1038 L1039 D1044 L1057 K1058 L1062 R1066	I974-R1041 HydrophobicContact CG2-CG 4.33Å; S1037-R1041 PolarHBondContact O-N 2.99Å; L1038-R1041 WeakPolarHBondContact O-CA 3.33Å; L1038-R1041 PolarHBondContact O-N 3.29Å; L1039-R1041 PolarHBondContact O-N 2.97Å; R1041-D1044 WeakPolarHBondContact CG-OD1 3.46Å; R1041-D1044 IonicContact CZ-OD1 2.71Å; R1041-D1044 IonicContact NE-OD1 2.74Å; R1041-D1044 PolarHBondContact NE-OD1 3.17Å; R1041-D1044 IonicContact NE-OD2 3.75Å; R1041-D1044 IonicContact NH2-OD1 3.63Å; R1041-D1044 IonicContact NH2-OD2 3.69Å; R1041-D1044 PolarHBondContact NH2-OD2 3.4Å; R1041-L1057 HydrophobicContact CB-CD2 3.97Å; R1041-L1057 HydrophobicContact CB-CG 4.31Å; R1041-L1057 HydrophobicContact CG-CD2 4.37Å; R1041-L1057 HydrophobicContact CG-CG 4.48Å; R1041-L1057 PolarHBondContact NH1-O 3.47Å; R1041-K1058 VanDerWaalsContact CZ-CA 3.41Å; R1041-K1058 PolarHBondContact NH1-O 2.97Å; R1041-K1058 PolarHBondContact NH2-O 2.97Å; R1041-L1062 HydrophobicContact CB-CD2 3.61Å; R1041-L1062 HydrophobicContact CG-CD2 4.25Å; R1041-R1066 PolarHBondContact O-NH2 3.42Å
1042	F	92.8	Very high	92.2	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	-70.6	-27	164.6	-67	-28.7	0	0	0	111.5	R258 L261 A262 V757 S1037 Q1040	R258-F1042 HydrophobicContact CB-CE2 4.28Å; R258-F1042 HydrophobicContact CB-CZ 4.31Å; R258-F1042 WeakPolarHBondContact O-CZ 3.37Å; L261-F1042 HydrophobicContact CB-CE1 3.93Å; A262-F1042 HydrophobicContact CB-CZ 4.08Å; V757-F1042 HydrophobicContact CB-CB 4.06Å; V757-F1042 HydrophobicContact CB-CG 4.5Å; V757-F1042 HydrophobicContact CG2-CB 3.69Å; V757-F1042 HydrophobicContact CG2-CD1 3.62Å; V757-F1042 HydrophobicContact CG2-CD2 4.35Å; V757-F1042 HydrophobicContact CG2-CE1 4.31Å; V757-F1042 HydrophobicContact CG2-CG 3.65Å; S1037-F1042 WeakPolarHBondContact O-CB 3.03Å; S1037-F1042 PolarHBondContact O-N 3Å; Q1040-F1042 VanDerWaalsContact C-N 3.26Å; Q1040-F1042 HydrophobicContact CB-CD1 4.3Å; Q1040-F1042 HydrophobicContact CB-CD2 4.2Å; Q1040-F1042 HydrophobicContact CB-CE1 4.16Å; Q1040-F1042 HydrophobicContact CB-CE2 4.06Å; Q1040-F1042 HydrophobicContact CB-CG 4.32Å; Q1040-F1042 HydrophobicContact CB-CZ 4.05Å; Q1040-F1042 PolarHBondContact O-N 2.83Å
1043	Y	93.9	Very high	91.9	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	16%	0.16	C	C	.	.	S	Bend	trans	-134.5	151.8	174.1	-48.9	-86.1	0	0	0	109.1	R258 V757 D761 F998 Y1000 P1001 L1038	R258-Y1043 PolarHBondContact NH2-OH 3.33Å; V757-Y1043 WeakPolarHBondContact CG1-OH 3.21Å; D761-Y1043 VanDerWaalsContact OD2-CE1 3.22Å; D761-Y1043 WeakPolarHBondContact OD2-CE1 3.32Å; D761-Y1043 VanDerWaalsContact OD2-CZ 3.31Å; D761-Y1043 PolarHBondContact OD2-OH 2.75Å; F998-Y1043 HydrophobicContact CE2-CG 4.18Å; F998-Y1043 HydrophobicContact CZ-CD1 4.29Å; F998-Y1043 HydrophobicContact CZ-CD2 4.21Å; F998-Y1043 AromaticContact CZ-CG 3.81Å; F998-Y1043 HydrophobicContact CZ-CG 3.81Å; Y1000-Y1043 HydrophobicContact CD1-CD1 4.48Å; Y1000-Y1043 AromaticContact CD1-CE1 4Å; Y1000-Y1043 HydrophobicContact CD1-CE1 4Å; Y1000-Y1043 HydrophobicContact CD1-CE2 4.25Å; Y1000-Y1043 AromaticContact CD1-CZ 3.88Å; Y1000-Y1043 HydrophobicContact CE1-CD2 4.18Å; Y1000-Y1043 HydrophobicContact CE1-CE1 4.21Å; Y1000-Y1043 AromaticContact CE1-CE2 3.63Å; Y1000-Y1043 HydrophobicContact CE1-CE2 3.63Å; Y1000-Y1043 AromaticContact CE1-CZ 3.64Å; P1001-Y1043 HydrophobicContact CG-CD1 4.41Å; L1038-Y1043 WeakPolarHBondContact CD2-O 3.48Å
1044	D	92.1	Very high	91.6	Very high	45 Å²	45	36 Å²	36	24%	0.241	18%	0.177	C	C	.	.			trans	-96.7	141.9	167.5	-87	-18.6	0	0	0	109	I974 R1041	I974-D1044 HydrophobicContact CD1-CB 4.33Å; R1041-D1044 WeakPolarHBondContact CG-OD1 3.46Å; R1041-D1044 IonicContact CZ-OD1 2.71Å; R1041-D1044 IonicContact NE-OD1 2.74Å; R1041-D1044 PolarHBondContact NE-OD1 3.17Å; R1041-D1044 IonicContact NE-OD2 3.75Å; R1041-D1044 IonicContact NH2-OD1 3.63Å; R1041-D1044 IonicContact NH2-OD2 3.69Å; R1041-D1044 PolarHBondContact NH2-OD2 3.4Å
1045	P	93.5	Very high	91.3	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.052	19%	0.192	C	C	.	.			trans	-67.8	145.9	175.5	30.4	-36.1	0	0	0	111.2	I996 R1047 I1050	I996-P1045 HydrophobicContact CD1-CB 4.14Å; I996-P1045 HydrophobicContact CD1-CG 4.07Å; I996-P1045 HydrophobicContact CG2-CB 3.92Å; P1045-R1047 VanDerWaalsContact C-N 3.33Å; P1045-I1050 HydrophobicContact CG-CD1 4.38Å; P1045-I1050 HydrophobicContact CG-CG1 4.47Å
1046	N	91.8	Very high	90.9	Very high	118 Å²	118	41 Å²	41	63%	0.631	20%	0.203	S	C	*	.	S	Bend	trans	-63.8	-40	175.9	-58.8	86.9	0	0	0	111.1	H997 F998 A999	H997-N1046 PolarHBondContact O-N 2.97Å; F998-N1046 VanDerWaalsContact CA-OD1 3.25Å; F998-N1046 WeakPolarHBondContact CA-OD1 3.26Å; A999-N1046 PolarHBondContact N-OD1 2.87Å
1047	R	92.6	Very high	90.7	Very high	185 Å²	185	41 Å²	41	70%	0.698	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.7	174.4	-161.3	178.2	-180	-173.4	0.4	110.2	I996 H997 P1045	I996-R1047 WeakPolarHBondContact CA-O 3.41Å; H997-R1047 HydrophobicContact CB-CB 3.96Å; H997-R1047 PolarHBondContact N-O 3Å; H997-R1047 PolarHBondContact O-N 3.42Å; P1045-R1047 VanDerWaalsContact C-N 3.33Å
1048	G	92.2	Very high	90.3	Very high	25 Å²	25	45.2 Å²	45.2	26%	0.258	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95	174.6	-178.1	0	0	0	0	0	113.1	K994 G995	K994-G1048 VanDerWaalsContact O-CA 3.3Å; K994-G1048 WeakPolarHBondContact O-CA 3.08Å; G995-G1048 WeakPolarHBondContact O-CA 3.33Å
1049	T	93.3	Very high	89.8	Confident	65 Å²	65	49.3 Å²	49.3	40%	0.399	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.3	-174.4	57.4	0	0	0	0	111.6	K994	K994-T1049 PolarHBondContact N-O 3.05Å; K994-T1049 PolarHBondContact O-N 2.83Å
1050	I	93.3	Very high	89.3	Confident	9 Å²	9	50 Å²	50	5%	0.046	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127	168.7	-53	176	0	0	0	107.3	F991 L992 M993 I996 L1038 L1039 P1045 S1056 L1057	F991-I1050 HydrophobicContact CD1-CG2 4.43Å; L992-I1050 CarbonylContact O-C 3.55Å; L992-I1050 WeakPolarHBondContact O-CA 3.41Å; M993-I1050 HydrophobicContact CE-CD1 4.19Å; M993-I1050 HydrophobicContact CE-CG1 4.44Å; M993-I1050 HydrophobicContact CG-CG1 4.24Å; M993-I1050 HydrophobicContact CG-CG2 4.26Å; I996-I1050 HydrophobicContact CD1-CD1 4.44Å; I996-I1050 HydrophobicContact CD1-CG1 3.66Å; I996-I1050 HydrophobicContact CG1-CG1 4.45Å; L1038-I1050 HydrophobicContact CB-CD1 3.81Å; L1039-I1050 HydrophobicContact CD2-CG2 3.97Å; P1045-I1050 HydrophobicContact CG-CD1 4.38Å; P1045-I1050 HydrophobicContact CG-CG1 4.47Å; I1050-S1056 WeakPolarHBondContact O-CA 3.26Å; I1050-S1056 PolarHBondContact O-OG 3.19Å; I1050-L1057 HydrophobicContact CB-CB 4.23Å; I1050-L1057 HydrophobicContact CB-CD2 4.34Å; I1050-L1057 HydrophobicContact CG2-CB 4.18Å; I1050-L1057 HydrophobicContact CG2-CD2 3.84Å; I1050-L1057 PolarHBondContact O-N 3.12Å
1051	R	90.7	Very high	88.9	Confident	115 Å²	115	51.8 Å²	51.8	43%	0.434	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.6	174.2	-63.9	-173	176.7	-177.2	-4.6	110	F991 L992 H1055	F991-R1051 WeakPolarHBondContact CA-O 3.44Å; F991-R1051 WeakPolarHBondContact CD1-O 3.46Å; L992-R1051 HydrophobicContact CB-CB 4.33Å; L992-R1051 PolarHBondContact N-O 3.46Å; L992-R1051 PolarHBondContact O-N 3.43Å; R1051-H1055 CarbonylContact C-O 3.49Å; R1051-H1055 WeakPolarHBondContact CA-O 3.46Å
1052	Y	87.3	Confident	88.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.5	167.4	-177.4	-128.1	0	0	0	106.6	F987 W990 F991 D1054 H1055 L1060 V1065 S1068 I1151	F987-Y1052 HydrophobicContact CB-CE1 3.83Å; F987-Y1052 AromaticContact CD1-CD1 3.37Å; F987-Y1052 HydrophobicContact CD1-CD1 3.37Å; F987-Y1052 AromaticContact CD1-CE1 3.11Å; F987-Y1052 HydrophobicContact CD1-CE1 3.11Å; F987-Y1052 HydrophobicContact CD1-CG 4.44Å; F987-Y1052 HydrophobicContact CD2-CE1 4.08Å; F987-Y1052 AromaticContact CE1-CD1 3.54Å; F987-Y1052 HydrophobicContact CE1-CD1 3.54Å; F987-Y1052 AromaticContact CE1-CE1 3.6Å; F987-Y1052 HydrophobicContact CE1-CE1 3.6Å; F987-Y1052 HydrophobicContact CG-CD1 4.12Å; F987-Y1052 AromaticContact CG-CE1 3.37Å; F987-Y1052 HydrophobicContact CG-CE1 3.37Å; F987-Y1052 AromaticContact CG-CZ 3.99Å; F987-Y1052 HydrophobicContact CZ-CD1 4.43Å; F987-Y1052 HydrophobicContact CZ-CE1 4.28Å; W990-Y1052 WeakPolarHBondContact O-CD2 3.47Å; F991-Y1052 AromaticContact CD1-CD2 3.67Å; F991-Y1052 HydrophobicContact CD1-CD2 3.67Å; F991-Y1052 HydrophobicContact CD1-CG 4.24Å; F991-Y1052 HydrophobicContact CD2-CD2 4.08Å; F991-Y1052 HydrophobicContact CD2-CE2 4.39Å; F991-Y1052 AromaticContact CE1-CD2 3.33Å; F991-Y1052 HydrophobicContact CE1-CD2 3.33Å; F991-Y1052 HydrophobicContact CE1-CE2 4.24Å; F991-Y1052 AromaticContact CE1-CG 3.73Å; F991-Y1052 HydrophobicContact CE1-CG 3.73Å; F991-Y1052 AromaticContact CE2-CD2 3.77Å; F991-Y1052 HydrophobicContact CE2-CD2 3.77Å; F991-Y1052 AromaticContact CE2-CE2 3.92Å; F991-Y1052 HydrophobicContact CE2-CE2 3.92Å; F991-Y1052 HydrophobicContact CG-CD2 4.04Å; F991-Y1052 AromaticContact CZ-CD2 3.37Å; F991-Y1052 HydrophobicContact CZ-CD2 3.37Å; F991-Y1052 AromaticContact CZ-CE2 3.82Å; F991-Y1052 HydrophobicContact CZ-CE2 3.82Å; F991-Y1052 HydrophobicContact CZ-CG 4.04Å; Y1052-D1054 PolarHBondContact O-N 3.3Å; Y1052-H1055 PolarHBondContact N-O 3.12Å; Y1052-H1055 PolarHBondContact O-N 2.98Å; Y1052-L1060 HydrophobicContact CD1-CD1 3.88Å; Y1052-L1060 HydrophobicContact CG-CD1 4.34Å; Y1052-V1065 HydrophobicContact CD1-CG1 4.44Å; Y1052-V1065 HydrophobicContact CD1-CG2 4.2Å; Y1052-S1068 PolarHBondContact OH-OG 3.47Å; Y1052-I1151 HydrophobicContact CD2-CD1 4.39Å; Y1052-I1151 HydrophobicContact CE2-CD1 3.5Å; Y1052-I1151 VanDerWaalsContact CE2-CD1 3.5Å
1053	D	84.4	Confident	88.2	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.027	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-132	-160.6	-58.1	-51	0	0	0	111.4	F987 T988 R989 W990 H1055	F987-D1053 WeakPolarHBondContact CA-OD2 3.41Å; F987-D1053 WeakPolarHBondContact CB-OD2 3.4Å; F987-D1053 WeakPolarHBondContact CD1-OD2 3.28Å; T988-D1053 WeakPolarHBondContact CA-OD1 3.39Å; T988-D1053 WeakPolarHBondContact CB-OD1 3.35Å; T988-D1053 VanDerWaalsContact N-CG 3.25Å; T988-D1053 PolarHBondContact N-OD1 3.35Å; T988-D1053 PolarHBondContact N-OD2 3.49Å; T988-D1053 WeakPolarHBondContact OG1-CB 3.5Å; T988-D1053 PolarHBondContact OG1-OD1 3.46Å; R989-D1053 PolarHBondContact N-OD1 3.42Å; R989-D1053 PolarHBondContact N-OD2 3.07Å; W990-D1053 VanDerWaalsContact CE2-CA 3.5Å; W990-D1053 WeakPolarHBondContact CH2-O 3.31Å; W990-D1053 WeakPolarHBondContact CZ2-O 3.49Å; W990-D1053 PolarHBondContact N-OD1 3.37Å; W990-D1053 PolarHBondContact NE1-OD1 3.37Å; W990-D1053 PolarHBondContact O-N 3.03Å; D1053-H1055 VanDerWaalsContact C-N 3.26Å; D1053-H1055 PolarHBondContact O-N 3.11Å
1054	D	82.4	Confident	87.6	Confident	117 Å²	117	56.4 Å²	56.4	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.9	-178.3	-65.5	-44.5	0	0	0	114.1	Y1052	Y1052-D1054 PolarHBondContact O-N 3.3Å
1055	H	85	Confident	87.3	Confident	80 Å²	80	54.4 Å²	54.4	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.4	-172.7	-60.1	-64.9	0	0	0	112.2	R1051 Y1052 D1053 L1057 L1060	R1051-H1055 CarbonylContact C-O 3.49Å; R1051-H1055 WeakPolarHBondContact CA-O 3.46Å; Y1052-H1055 PolarHBondContact N-O 3.12Å; Y1052-H1055 PolarHBondContact O-N 2.98Å; D1053-H1055 VanDerWaalsContact C-N 3.26Å; D1053-H1055 PolarHBondContact O-N 3.11Å; H1055-L1057 PolarHBondContact O-N 3.46Å; H1055-L1060 HydrophobicContact CB-CD1 4.07Å; H1055-L1060 HydrophobicContact CB-CD2 3.75Å; H1055-L1060 HydrophobicContact CB-CG 4.01Å
1056	S	87.1	Confident	87.1	Confident	35 Å²	35	54.1 Å²	54.1	25%	0.245	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.6	171	-178.3	0	0	0	0	110.4	I1050 K1058 V1059	I1050-S1056 WeakPolarHBondContact O-CA 3.26Å; I1050-S1056 PolarHBondContact O-OG 3.19Å; S1056-K1058 PolarHBondContact O-N 2.83Å; S1056-K1058 PolarHBondContact OG-N 2.84Å; S1056-V1059 WeakPolarHBondContact O-CG2 3.47Å; S1056-V1059 PolarHBondContact O-N 3.19Å; S1056-V1059 VanDerWaalsContact O-N 3.09Å
1057	L	87.7	Confident	86.8	Confident	4 Å²	4	53 Å²	53	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.1	176.8	-169.1	61.9	0	0	0	112.4	F991 L1039 R1041 I1050 H1055 V1059 V1065	F991-L1057 HydrophobicContact CE1-CD1 4.45Å; L1039-L1057 WeakPolarHBondContact O-CD2 3.42Å; R1041-L1057 HydrophobicContact CB-CD2 3.97Å; R1041-L1057 HydrophobicContact CB-CG 4.31Å; R1041-L1057 HydrophobicContact CG-CD2 4.37Å; R1041-L1057 HydrophobicContact CG-CG 4.48Å; R1041-L1057 PolarHBondContact NH1-O 3.47Å; I1050-L1057 HydrophobicContact CB-CB 4.23Å; I1050-L1057 HydrophobicContact CB-CD2 4.34Å; I1050-L1057 HydrophobicContact CG2-CB 4.18Å; I1050-L1057 HydrophobicContact CG2-CD2 3.84Å; I1050-L1057 PolarHBondContact O-N 3.12Å; H1055-L1057 PolarHBondContact O-N 3.46Å; L1057-V1059 VanDerWaalsContact C-N 3.33Å; L1057-V1059 PolarHBondContact O-N 2.91Å; L1057-V1065 HydrophobicContact CD1-CG1 3.95Å; L1057-V1065 HydrophobicContact CD1-CG2 4.31Å
1058	K	85.3	Confident	86.5	Confident	98 Å²	98	45 Å²	45	43%	0.426	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.5	177.9	-73.8	-166.9	177.2	-172.4	0	114	R1041 S1056	R1041-K1058 VanDerWaalsContact CZ-CA 3.41Å; R1041-K1058 PolarHBondContact NH1-O 2.97Å; R1041-K1058 PolarHBondContact NH2-O 2.97Å; S1056-K1058 PolarHBondContact O-N 2.83Å; S1056-K1058 PolarHBondContact OG-N 2.84Å
1059	V	83	Confident	86.3	Confident	86 Å²	86	43.8 Å²	43.8	52%	0.521	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-6.5	-175.8	-59.9	0	0	0	0	113.4	V981 S1056 L1057	V981-V1059 VanDerWaalsContact CB-O 3.31Å; V981-V1059 WeakPolarHBondContact CB-O 3.49Å; V981-V1059 WeakPolarHBondContact CG2-O 3.42Å; S1056-V1059 WeakPolarHBondContact O-CG2 3.47Å; S1056-V1059 PolarHBondContact O-N 3.19Å; S1056-V1059 VanDerWaalsContact O-N 3.09Å; L1057-V1059 VanDerWaalsContact C-N 3.33Å; L1057-V1059 PolarHBondContact O-N 2.91Å
1060	L	81.7	Confident	86.2	Confident	16 Å²	16	40.7 Å²	40.7	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-83.6	152.1	-179.2	-69.3	176.3	0	0	0	112.6	F987 Y1052 H1055 L1062 V1065	F987-L1060 HydrophobicContact CE1-CD1 4.12Å; F987-L1060 HydrophobicContact CE1-CD2 4.21Å; F987-L1060 HydrophobicContact CZ-CD2 4.36Å; Y1052-L1060 HydrophobicContact CD1-CD1 3.88Å; Y1052-L1060 HydrophobicContact CG-CD1 4.34Å; H1055-L1060 HydrophobicContact CB-CD1 4.07Å; H1055-L1060 HydrophobicContact CB-CD2 3.75Å; H1055-L1060 HydrophobicContact CB-CG 4.01Å; L1060-L1062 PolarHBondContact O-N 3.03Å; L1060-V1065 HydrophobicContact CB-CG2 3.88Å; L1060-V1065 HydrophobicContact CD1-CG2 4.02Å
1061	N	84	Confident	86.3	Confident	38 Å²	38	40.8 Å²	40.8	20%	0.203	20%	0.2	C	C	.	.			trans	-70.8	112.4	170.9	-172	-45.8	0	0	0	110.3	S978 H1063 H1064 V1065	S978-N1061 PolarHBondContact O-ND2 3.22Å; N1061-H1063 VanDerWaalsContact C-N 3.28Å; N1061-H1063 PolarHBondContact O-N 3.49Å; N1061-H1063 VanDerWaalsContact OD1-CB 3.26Å; N1061-H1063 WeakPolarHBondContact OD1-CB 3.23Å; N1061-H1063 PolarHBondContact OD1-N 3.47Å; N1061-H1064 HydrophobicContact CB-CB 4.5Å; N1061-H1064 PolarHBondContact O-N 3.29Å; N1061-H1064 VanDerWaalsContact O-N 3.12Å; N1061-V1065 PolarHBondContact O-N 2.89Å; N1061-V1065 VanDerWaalsContact O-N 3.12Å
1062	L	86.2	Confident	86.4	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-35.1	-177.1	-80.9	162.6	0	0	0	113.8	I974 R1041 L1060 H1064 V1065 R1066	I974-L1062 HydrophobicContact CG2-CD1 3.46Å; I974-L1062 VanDerWaalsContact CG2-CD1 3.46Å; R1041-L1062 HydrophobicContact CB-CD2 3.61Å; R1041-L1062 HydrophobicContact CG-CD2 4.25Å; L1060-L1062 PolarHBondContact O-N 3.03Å; L1062-H1064 VanDerWaalsContact C-N 3.29Å; L1062-H1064 PolarHBondContact O-N 3.46Å; L1062-V1065 PolarHBondContact O-N 3.4Å; L1062-R1066 WeakPolarHBondContact O-CB 3.46Å; L1062-R1066 WeakPolarHBondContact O-CG 3.39Å; L1062-R1066 PolarHBondContact O-N 2.69Å
1063	H	84.8	Confident	86.5	Confident	57 Å²	57	36.9 Å²	36.9	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-41.8	177.5	-177.7	-88.5	0	0	0	110.9	N264 N1061 K1067	N264-H1063 VanDerWaalsContact CG-CD2 3.43Å; N264-H1063 PolarHBondContact ND2-O 2.87Å; N1061-H1063 VanDerWaalsContact C-N 3.28Å; N1061-H1063 PolarHBondContact O-N 3.49Å; N1061-H1063 VanDerWaalsContact OD1-CB 3.26Å; N1061-H1063 WeakPolarHBondContact OD1-CB 3.23Å; N1061-H1063 PolarHBondContact OD1-N 3.47Å; H1063-K1067 WeakPolarHBondContact O-CB 3.25Å; H1063-K1067 PolarHBondContact O-N 3.43Å; H1063-K1067 VanDerWaalsContact O-N 3.12Å
1064	H	81.8	Confident	86.6	Confident	72 Å²	72	40.5 Å²	40.5	33%	0.333	21%	0.207	S	C	.	.	H	α-helix	trans	-70.5	-44.6	177.9	-166.3	98.2	0	0	0	111.7	F987 N1061 L1062 R1066 K1067 S1068	F987-H1064 AromaticContact CD2-CD2 3.88Å; F987-H1064 AromaticContact CD2-NE2 3.76Å; F987-H1064 AromaticContact CE2-CD2 3.19Å; F987-H1064 WeakPolarHBondContact CE2-CD2 3.41Å; F987-H1064 AromaticContact CE2-NE2 3.36Å; F987-H1064 WeakPolarHBondContact CE2-NE2 3.32Å; N1061-H1064 HydrophobicContact CB-CB 4.5Å; N1061-H1064 PolarHBondContact O-N 3.29Å; N1061-H1064 VanDerWaalsContact O-N 3.12Å; L1062-H1064 VanDerWaalsContact C-N 3.29Å; L1062-H1064 PolarHBondContact O-N 3.46Å; H1064-R1066 PolarHBondContact O-N 2.94Å; H1064-K1067 WeakPolarHBondContact O-CB 3.33Å; H1064-K1067 PolarHBondContact O-N 3.47Å; H1064-K1067 VanDerWaalsContact O-N 3.14Å; H1064-S1068 PolarHBondContact O-N 2.98Å
1065	V	85.9	Confident	86.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-45.8	178.1	175.3	0	0	0	0	111.4	Y1052 L1057 L1060 N1061 L1062 K1067 S1068 I1069	Y1052-V1065 HydrophobicContact CD1-CG1 4.44Å; Y1052-V1065 HydrophobicContact CD1-CG2 4.2Å; L1057-V1065 HydrophobicContact CD1-CG1 3.95Å; L1057-V1065 HydrophobicContact CD1-CG2 4.31Å; L1060-V1065 HydrophobicContact CB-CG2 3.88Å; L1060-V1065 HydrophobicContact CD1-CG2 4.02Å; N1061-V1065 PolarHBondContact O-N 2.89Å; N1061-V1065 VanDerWaalsContact O-N 3.12Å; L1062-V1065 PolarHBondContact O-N 3.4Å; V1065-K1067 VanDerWaalsContact C-N 3.3Å; V1065-K1067 PolarHBondContact O-N 3.48Å; V1065-S1068 PolarHBondContact O-N 2.88Å; V1065-S1068 PolarHBondContact O-OG 3.38Å; V1065-I1069 HydrophobicContact CG1-CD1 3.81Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.48Å; V1065-I1069 PolarHBondContact O-N 3.45Å
1066	R	88.8	Confident	86.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-72.5	-21.5	179.3	-67.9	-178.2	-177	151.6	3.1	113.3	L261 S976 Q1040 R1041 L1062 H1064 S1068 I1069	L261-R1066 WeakPolarHBondContact O-CD 3.31Å; S976-R1066 PolarHBondContact OG-NH1 3.49Å; Q1040-R1066 PolarHBondContact O-NE 2.81Å; Q1040-R1066 VanDerWaalsContact O-NE 3.09Å; Q1040-R1066 PolarHBondContact O-NH2 2.9Å; R1041-R1066 PolarHBondContact O-NH2 3.42Å; L1062-R1066 WeakPolarHBondContact O-CB 3.46Å; L1062-R1066 WeakPolarHBondContact O-CG 3.39Å; L1062-R1066 PolarHBondContact O-N 2.69Å; H1064-R1066 PolarHBondContact O-N 2.94Å; R1066-S1068 VanDerWaalsContact C-N 3.31Å; R1066-I1069 PolarHBondContact O-N 2.95Å
1067	K	85.4	Confident	86.9	Confident	94 Å²	94	40 Å²	40	41%	0.409	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-33.6	172.1	-170.7	177.5	180	178.9	0	111.2	H1063 H1064 V1065 E1093	H1063-K1067 WeakPolarHBondContact O-CB 3.25Å; H1063-K1067 PolarHBondContact O-N 3.43Å; H1063-K1067 VanDerWaalsContact O-N 3.12Å; H1064-K1067 WeakPolarHBondContact O-CB 3.33Å; H1064-K1067 PolarHBondContact O-N 3.47Å; H1064-K1067 VanDerWaalsContact O-N 3.14Å; V1065-K1067 VanDerWaalsContact C-N 3.3Å; V1065-K1067 PolarHBondContact O-N 3.48Å; K1067-E1093 IonicContact NZ-OE1 3.37Å
1068	S	85.5	Confident	87	Confident	17 Å²	17	40.6 Å²	40.6	12%	0.119	21%	0.205	C	C	.	.	S	Bend	trans	-85.3	-5.1	178.7	50.2	0	0	0	0	114.9	Y1052 H1064 V1065 R1066 K1150 I1151	Y1052-S1068 PolarHBondContact OH-OG 3.47Å; H1064-S1068 PolarHBondContact O-N 2.98Å; V1065-S1068 PolarHBondContact O-N 2.88Å; V1065-S1068 PolarHBondContact O-OG 3.38Å; R1066-S1068 VanDerWaalsContact C-N 3.31Å; S1068-K1150 PolarHBondContact O-N 2.99Å; S1068-I1151 PolarHBondContact O-N 3.22Å
1069	I	89.6	Confident	87.3	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.4	-179.6	-60.8	166.3	0	0	0	110.3	F991 V1065 R1066 I1151 M1153	F991-I1069 HydrophobicContact CE2-CD1 4.46Å; F991-I1069 HydrophobicContact CZ-CD1 4.05Å; V1065-I1069 HydrophobicContact CG1-CD1 3.81Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.48Å; V1065-I1069 PolarHBondContact O-N 3.45Å; R1066-I1069 PolarHBondContact O-N 2.95Å; I1069-I1151 CarbonylContact C-O 3.5Å; I1069-I1151 WeakPolarHBondContact CA-O 3.46Å; I1069-I1151 HydrophobicContact CG1-CB 4.31Å; I1069-M1153 HydrophobicContact CD1-CE 4.05Å; I1069-M1153 HydrophobicContact CG1-CE 4.39Å; I1069-M1153 HydrophobicContact CG2-CE 3.91Å; I1069-M1153 HydrophobicContact CG2-CG 4.13Å; I1069-M1153 HydrophobicContact CG2-SD 3.89Å
1070	G	91.4	Very high	87.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.5	167.2	0	0	0	0	0	109.8	I1151 L1152 M1153	G1070-I1151 PolarHBondContact N-O 3.39Å; G1070-L1152 CarbonylContact O-C 3.57Å; G1070-L1152 WeakPolarHBondContact O-CA 3.48Å; G1070-M1153 PolarHBondContact O-N 3.14Å
1071	L	93.5	Very high	87.9	Confident	10 Å²	10	34.4 Å²	34.4	5%	0.052	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.2	178.5	177	65.3	0	0	0	110.5	A262 F263 I1036 M1153	A262-L1071 HydrophobicContact CB-CD2 3.77Å; F263-L1071 VanDerWaalsContact CZ-O 3.25Å; F263-L1071 WeakPolarHBondContact CZ-O 3.49Å; I1036-L1071 HydrophobicContact CG2-CD1 3.63Å; L1071-M1153 CarbonylContact C-O 3.51Å; L1071-M1153 HydrophobicContact CD1-CB 3.99Å
1072	V	93.6	Very high	88.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	105.9	169.6	-179	0	0	0	0	107.5	Q1137 A1140 I1141 A1144 M1153 F1154 D1155 A1157	V1072-Q1137 VanDerWaalsContact CG1-NE2 3.29Å; V1072-A1140 HydrophobicContact CG1-CB 4.41Å; V1072-I1141 HydrophobicContact CG1-CG1 4.15Å; V1072-I1141 HydrophobicContact CG2-CG1 4.11Å; V1072-A1144 HydrophobicContact CG2-CB 3.97Å; V1072-M1153 PolarHBondContact N-O 3.4Å; V1072-F1154 HydrophobicContact CB-CD1 3.75Å; V1072-F1154 HydrophobicContact CB-CE1 4.19Å; V1072-F1154 HydrophobicContact CG1-CD1 4.2Å; V1072-F1154 HydrophobicContact CG2-CD1 3.95Å; V1072-F1154 HydrophobicContact CG2-CE1 3.86Å; V1072-D1155 PolarHBondContact O-N 3.22Å; V1072-A1157 HydrophobicContact CG1-CB 4.08Å
1073	S	89.8	Confident	88.7	Confident	33 Å²	33	33.5 Å²	33.5	23%	0.231	17%	0.17	C	C	.	.			trans	-79.5	163.3	-178.6	-49.3	0	0	0	0	112.2	E1075 Q1137 D1155	S1073-E1075 PolarHBondContact O-N 3.45Å; S1073-Q1137 PolarHBondContact O-NE2 2.83Å; S1073-D1155 CarbonylContact C-O 3.6Å
1074	Q	86	Confident	89.2	Confident	81 Å²	81	34.3 Å²	34.3	38%	0.379	17%	0.171	S	C	.	.	S	Bend	trans	-56.7	-48.9	175.5	-176.9	177.3	12.9	0	0	112	P1076 D1155 E1156 S1159	Q1074-P1076 WeakPolarHBondContact O-CD 3.35Å; Q1074-D1155 WeakPolarHBondContact CA-O 3.36Å; Q1074-D1155 WeakPolarHBondContact CB-O 3.44Å; Q1074-D1155 PolarHBondContact N-O 3.42Å; Q1074-E1156 HydrophobicContact CB-CB 4.29Å; Q1074-E1156 HydrophobicContact CG-CB 4.17Å; Q1074-E1156 PolarHBondContact NE2-OE2 3.15Å; Q1074-S1159 WeakPolarHBondContact CG-OG 3.48Å; Q1074-S1159 PolarHBondContact NE2-OG 3.18Å
1075	E	83.9	Confident	89.7	Confident	155 Å²	155	35.6 Å²	35.6	72%	0.724	18%	0.177	S	C	*	.	S	Bend	trans	-110.2	101.4	173.4	-68.8	-168	165.2	0	0	110.5	S1073 V1077	S1073-E1075 PolarHBondContact O-N 3.45Å; E1075-V1077 PolarHBondContact O-N 3.29Å
1076	P	87.8	Confident	90.1	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.123	18%	0.177	C	C	.	.			trans	-75	120.1	-175.8	29.3	-37.5	0	0	0	111.1	Q1074 K1136 A1140	Q1074-P1076 WeakPolarHBondContact O-CD 3.35Å; P1076-K1136 HydrophobicContact CB-CB 4.44Å; P1076-K1136 HydrophobicContact CG-CB 3.58Å; P1076-A1140 HydrophobicContact CB-CB 3.56Å
1077	V	88.8	Confident	90.4	Very high	48 Å²	48	35.4 Å²	35.4	29%	0.291	18%	0.176	S	C	.	.			trans	-85.5	125.6	177.4	-173.5	0	0	0	0	111.4	S256 E1075 R1143	S256-V1077 WeakPolarHBondContact OG-CG1 3.42Å; E1075-V1077 PolarHBondContact O-N 3.29Å; V1077-R1143 PolarHBondContact O-NH1 3.13Å; V1077-R1143 PolarHBondContact O-NH2 3.05Å
1078	L	91.3	Very high	90.8	Very high	17 Å²	17	32 Å²	32	9%	0.089	16%	0.163	C	C	.	.			trans	-107.7	129.1	171.9	-59.2	-175.6	0	0	0	109.9	N1086 A1124 L1131 K1136 I1139	L1078-N1086 WeakPolarHBondContact CA-OD1 3.21Å; L1078-N1086 HydrophobicContact CD2-CB 4.45Å; L1078-A1124 HydrophobicContact CD1-CB 4.3Å; L1078-L1131 HydrophobicContact CD1-CD1 3.66Å; L1078-K1136 HydrophobicContact CD1-CB 4.31Å; L1078-K1136 HydrophobicContact CD1-CG 3.89Å; L1078-K1136 HydrophobicContact CG-CG 4.47Å; L1078-I1139 HydrophobicContact CD1-CD1 3.86Å; L1078-I1139 HydrophobicContact CD2-CB 4.11Å; L1078-I1139 HydrophobicContact CD2-CG2 3.54Å
1079	F	90	Very high	91.1	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.16	C	C	.	.			trans	-80.1	155.6	178.6	-62.3	-84.8	0	0	0	110.9	E252 T259 V260 V1081 N1086 Y1089 A1124	E252-F1079 HydrophobicContact CG-CD1 3.74Å; E252-F1079 HydrophobicContact CG-CE1 4.28Å; E252-F1079 VanDerWaalsContact OE1-C 3.32Å; E252-F1079 WeakPolarHBondContact OE1-CA 3.29Å; T259-F1079 HydrophobicContact CG2-CE2 4.04Å; T259-F1079 HydrophobicContact CG2-CZ 4.16Å; V260-F1079 HydrophobicContact CG2-CE1 4.15Å; V260-F1079 HydrophobicContact CG2-CZ 3.96Å; F1079-V1081 HydrophobicContact CB-CG2 3.95Å; F1079-V1081 PolarHBondContact O-N 3.42Å; F1079-N1086 PolarHBondContact N-OD1 3.17Å; F1079-N1086 PolarHBondContact O-ND2 3.17Å; F1079-Y1089 HydrophobicContact CD2-CD1 4.45Å; F1079-Y1089 AromaticContact CD2-CD2 3.79Å; F1079-Y1089 HydrophobicContact CD2-CD2 3.79Å; F1079-Y1089 HydrophobicContact CD2-CE1 4.33Å; F1079-Y1089 AromaticContact CD2-CE2 3.64Å; F1079-Y1089 HydrophobicContact CD2-CE2 3.64Å; F1079-Y1089 HydrophobicContact CD2-CG 4.2Å; F1079-Y1089 AromaticContact CD2-CZ 3.93Å; F1079-Y1089 AromaticContact CE2-CD1 3.84Å; F1079-Y1089 HydrophobicContact CE2-CD1 3.84Å; F1079-Y1089 AromaticContact CE2-CD2 3.93Å; F1079-Y1089 HydrophobicContact CE2-CD2 3.93Å; F1079-Y1089 AromaticContact CE2-CE1 3.49Å; F1079-Y1089 HydrophobicContact CE2-CE1 3.49Å; F1079-Y1089 VanDerWaalsContact CE2-CE1 3.49Å; F1079-Y1089 AromaticContact CE2-CE2 3.58Å; F1079-Y1089 HydrophobicContact CE2-CE2 3.58Å; F1079-Y1089 HydrophobicContact CE2-CG 4.05Å; F1079-Y1089 AromaticContact CE2-CZ 3.34Å; F1079-Y1089 HydrophobicContact CG-CE2 4.16Å; F1079-Y1089 AromaticContact CZ-CE1 3.84Å; F1079-Y1089 HydrophobicContact CZ-CE1 3.84Å; F1079-Y1089 HydrophobicContact CZ-CE2 4.05Å; F1079-Y1089 AromaticContact CZ-CZ 3.5Å; F1079-Y1089 WeakPolarHBondContact CZ-OH 3.48Å; F1079-A1124 VanDerWaalsContact O-O 3.07Å
1080	N	88.3	Confident	90.7	Very high	48 Å²	48	32 Å²	32	26%	0.257	16%	0.163	S	C	.	.	S	Bend	trans	-73.1	64	179.2	-165.4	9.8	0	0	0	112.3	E252 A1124	E252-N1080 PolarHBondContact OE1-N 2.93Å; N1080-A1124 VanDerWaalsContact CA-O 3.25Å; N1080-A1124 WeakPolarHBondContact CA-O 3.38Å
1081	V	89.2	Confident	90.6	Very high	20 Å²	20	33.7 Å²	33.7	12%	0.121	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	175	-174.6	-63.1	0	0	0	0	108.9	F1079 Q1085 N1086 A1124	F1079-V1081 HydrophobicContact CB-CG2 3.95Å; F1079-V1081 PolarHBondContact O-N 3.42Å; V1081-Q1085 HydrophobicContact CB-CB 3.89Å; V1081-Q1085 HydrophobicContact CG2-CB 3.65Å; V1081-N1086 VanDerWaalsContact CG2-ND2 3.29Å; V1081-N1086 WeakPolarHBondContact CG2-ND2 3.29Å; V1081-N1086 PolarHBondContact O-ND2 3.02Å; V1081-A1124 PolarHBondContact O-N 3.4Å
1082	T	93.3	Very high	89.6	Confident	24 Å²	24	38.8 Å²	38.8	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	155.7	180	68.5	0	0	0	0	111.8	R1084 Q1085 N1086 N1121 T1122 L1123	T1082-R1084 PolarHBondContact O-N 2.88Å; T1082-Q1085 WeakPolarHBondContact O-CB 3.36Å; T1082-Q1085 PolarHBondContact O-N 2.87Å; T1082-Q1085 WeakPolarHBondContact OG1-CG 3.42Å; T1082-Q1085 PolarHBondContact OG1-N 3.25Å; T1082-N1086 PolarHBondContact O-N 3.49Å; T1082-N1086 PolarHBondContact O-ND2 3.2Å; T1082-N1121 WeakPolarHBondContact CG2-O 3.32Å; T1082-T1122 CarbonylContact C-O 3.59Å; T1082-T1122 VanDerWaalsContact CA-O 3.28Å; T1082-T1122 WeakPolarHBondContact CA-O 3.4Å; T1082-L1123 HydrophobicContact CG2-CD2 4.23Å
1083	L	94.4	Very high	88.8	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-40	174.3	-70.4	175	0	0	0	111.8	Q1085 N1086 I1087 I1113 L1116 Y1120 T1122 A1124 L1131 I1139	L1083-Q1085 VanDerWaalsContact C-N 3.35Å; L1083-Q1085 PolarHBondContact O-N 3.08Å; L1083-N1086 WeakPolarHBondContact O-CB 3Å; L1083-N1086 PolarHBondContact O-N 2.99Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.25Å; L1083-I1087 PolarHBondContact O-N 3.09Å; L1083-I1113 HydrophobicContact CD1-CG1 4.14Å; L1083-I1113 HydrophobicContact CD1-CG2 4.21Å; L1083-L1116 HydrophobicContact CD1-CD1 3.64Å; L1083-Y1120 PolarHBondContact N-O 3.43Å; L1083-T1122 PolarHBondContact N-O 3.28Å; L1083-A1124 HydrophobicContact CD2-CB 3.67Å; L1083-A1124 HydrophobicContact CG-CB 4.4Å; L1083-L1131 HydrophobicContact CD2-CD1 4.17Å; L1083-I1139 HydrophobicContact CD2-CD1 3.6Å
1084	R	94.9	Very high	88.3	Confident	75 Å²	75	56 Å²	56	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-55.3	-49	172.4	-169.4	-177.4	176.3	-72.5	-5.5	112.1	T1082 N1086 I1087 V1088 V1095 V1100 Y1120	T1082-R1084 PolarHBondContact O-N 2.88Å; R1084-N1086 VanDerWaalsContact C-N 3.32Å; R1084-I1087 PolarHBondContact O-N 2.75Å; R1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; R1084-V1088 PolarHBondContact O-N 3.28Å; R1084-V1088 VanDerWaalsContact O-N 3.07Å; R1084-V1095 PolarHBondContact NH2-O 3.27Å; R1084-V1100 HydrophobicContact CG-CG1 4.46Å; R1084-Y1120 PolarHBondContact N-O 3.34Å
1085	Q	92.3	Very high	88.4	Confident	98 Å²	98	53 Å²	53	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-67.8	-33.5	-178.2	-75.6	174.8	-34.5	0	0	112.2	V1081 T1082 L1083 Y1089	V1081-Q1085 HydrophobicContact CB-CB 3.89Å; V1081-Q1085 HydrophobicContact CG2-CB 3.65Å; T1082-Q1085 WeakPolarHBondContact O-CB 3.36Å; T1082-Q1085 PolarHBondContact O-N 2.87Å; T1082-Q1085 WeakPolarHBondContact OG1-CG 3.42Å; T1082-Q1085 PolarHBondContact OG1-N 3.25Å; L1083-Q1085 VanDerWaalsContact C-N 3.35Å; L1083-Q1085 PolarHBondContact O-N 3.08Å; Q1085-Y1089 PolarHBondContact O-N 3.08Å
1086	N	93.5	Very high	88.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-40.5	171.3	-92	-70.1	0	0	0	112.2	L1078 F1079 V1081 T1082 L1083 R1084 Y1089 I1139 R1143	L1078-N1086 WeakPolarHBondContact CA-OD1 3.21Å; L1078-N1086 HydrophobicContact CD2-CB 4.45Å; F1079-N1086 PolarHBondContact N-OD1 3.17Å; F1079-N1086 PolarHBondContact O-ND2 3.17Å; V1081-N1086 VanDerWaalsContact CG2-ND2 3.29Å; V1081-N1086 WeakPolarHBondContact CG2-ND2 3.29Å; V1081-N1086 PolarHBondContact O-ND2 3.02Å; T1082-N1086 PolarHBondContact O-N 3.49Å; T1082-N1086 PolarHBondContact O-ND2 3.2Å; L1083-N1086 WeakPolarHBondContact O-CB 3Å; L1083-N1086 PolarHBondContact O-N 2.99Å; R1084-N1086 VanDerWaalsContact C-N 3.32Å; N1086-Y1089 WeakPolarHBondContact O-CB 3.19Å; N1086-I1139 HydrophobicContact CB-CG2 4.36Å; N1086-R1143 WeakPolarHBondContact O-CG 3.26Å; N1086-R1143 PolarHBondContact O-NE 3.08Å; N1086-R1143 PolarHBondContact OD1-NH2 3.14Å
1087	I	95	Very high	89	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-47.2	178.6	-65.5	166.3	0	0	0	110.8	L1083 R1084 Y1089 V1100 I1113 Y1120 I1139 A1142 R1143 V1146	L1083-I1087 WeakPolarHBondContact O-CG1 3.25Å; L1083-I1087 PolarHBondContact O-N 3.09Å; R1084-I1087 PolarHBondContact O-N 2.75Å; I1087-Y1089 PolarHBondContact O-N 2.79Å; I1087-Y1089 VanDerWaalsContact O-N 3.16Å; I1087-V1100 HydrophobicContact CB-CG1 4.14Å; I1087-V1100 HydrophobicContact CD1-CG1 3.93Å; I1087-V1100 HydrophobicContact CG2-CG1 3.9Å; I1087-I1113 HydrophobicContact CD1-CD1 4.28Å; I1087-Y1120 HydrophobicContact CD1-CD1 4.27Å; I1087-Y1120 HydrophobicContact CD1-CE1 3.88Å; I1087-I1139 HydrophobicContact CG1-CG2 4.25Å; I1087-A1142 HydrophobicContact CD1-CB 4.32Å; I1087-A1142 HydrophobicContact CG1-CB 4.13Å; I1087-A1142 HydrophobicContact CG2-CB 4.23Å; I1087-R1143 WeakPolarHBondContact O-CA 3.4Å; I1087-R1143 WeakPolarHBondContact O-CG 3.24Å; I1087-V1146 HydrophobicContact CG2-CB 4.07Å; I1087-V1146 HydrophobicContact CG2-CG1 4.05Å; I1087-V1146 HydrophobicContact CG2-CG2 4.4Å; I1087-V1146 VanDerWaalsContact O-CG1 3.23Å; I1087-V1146 WeakPolarHBondContact O-CG1 3.3Å
1088	V	94.3	Very high	89.3	Confident	22 Å²	22	54.5 Å²	54.5	13%	0.133	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	14.9	-178.6	-55	0	0	0	0	114.1	R1084 G1090 L1091 V1095 V1100 V1146	R1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; R1084-V1088 PolarHBondContact O-N 3.28Å; R1084-V1088 VanDerWaalsContact O-N 3.07Å; V1088-G1090 PolarHBondContact O-N 3.33Å; V1088-L1091 PolarHBondContact O-N 3.05Å; V1088-V1095 HydrophobicContact CB-CG2 4.34Å; V1088-V1095 HydrophobicContact CG1-CB 3.98Å; V1088-V1095 HydrophobicContact CG1-CG1 4.26Å; V1088-V1095 HydrophobicContact CG1-CG2 4.17Å; V1088-V1100 HydrophobicContact CG1-CG2 3.43Å; V1088-V1100 VanDerWaalsContact CG1-CG2 3.43Å; V1088-V1146 HydrophobicContact CG1-CG2 4.5Å
1089	Y	92.8	Very high	89.4	Confident	12 Å²	12	57.5 Å²	57.5	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.5	-172.1	-172.9	-101.2	0	0	0	112.2	F263 E269 F1079 Q1085 N1086 I1087 L1091 R1147	F263-Y1089 HydrophobicContact CB-CD1 3.75Å; F263-Y1089 HydrophobicContact CB-CE1 4.07Å; F263-Y1089 HydrophobicContact CG-CD1 4.32Å; E269-Y1089 WeakPolarHBondContact CG-OH 3.39Å; E269-Y1089 VanDerWaalsContact OE1-CE2 3.24Å; E269-Y1089 WeakPolarHBondContact OE1-CE2 3.24Å; E269-Y1089 PolarHBondContact OE1-OH 2.98Å; F1079-Y1089 HydrophobicContact CD2-CD1 4.45Å; F1079-Y1089 AromaticContact CD2-CD2 3.79Å; F1079-Y1089 HydrophobicContact CD2-CD2 3.79Å; F1079-Y1089 HydrophobicContact CD2-CE1 4.33Å; F1079-Y1089 AromaticContact CD2-CE2 3.64Å; F1079-Y1089 HydrophobicContact CD2-CE2 3.64Å; F1079-Y1089 HydrophobicContact CD2-CG 4.2Å; F1079-Y1089 AromaticContact CD2-CZ 3.93Å; F1079-Y1089 AromaticContact CE2-CD1 3.84Å; F1079-Y1089 HydrophobicContact CE2-CD1 3.84Å; F1079-Y1089 AromaticContact CE2-CD2 3.93Å; F1079-Y1089 HydrophobicContact CE2-CD2 3.93Å; F1079-Y1089 AromaticContact CE2-CE1 3.49Å; F1079-Y1089 HydrophobicContact CE2-CE1 3.49Å; F1079-Y1089 VanDerWaalsContact CE2-CE1 3.49Å; F1079-Y1089 AromaticContact CE2-CE2 3.58Å; F1079-Y1089 HydrophobicContact CE2-CE2 3.58Å; F1079-Y1089 HydrophobicContact CE2-CG 4.05Å; F1079-Y1089 AromaticContact CE2-CZ 3.34Å; F1079-Y1089 HydrophobicContact CG-CE2 4.16Å; F1079-Y1089 AromaticContact CZ-CE1 3.84Å; F1079-Y1089 HydrophobicContact CZ-CE1 3.84Å; F1079-Y1089 HydrophobicContact CZ-CE2 4.05Å; F1079-Y1089 AromaticContact CZ-CZ 3.5Å; F1079-Y1089 WeakPolarHBondContact CZ-OH 3.48Å; Q1085-Y1089 PolarHBondContact O-N 3.08Å; N1086-Y1089 WeakPolarHBondContact O-CB 3.19Å; I1087-Y1089 PolarHBondContact O-N 2.79Å; I1087-Y1089 VanDerWaalsContact O-N 3.16Å; Y1089-L1091 VanDerWaalsContact C-N 3.27Å; Y1089-L1091 PolarHBondContact O-N 3.33Å; Y1089-R1147 PolarHBondContact O-NH2 2.97Å
1090	G	81.3	Confident	89.6	Confident	7 Å²	7	57.4 Å²	57.4	7%	0.072	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	7	177.9	0	0	0	0	0	116.3	F263 V1088	F263-G1090 VanDerWaalsContact O-CA 3.31Å; F263-G1090 WeakPolarHBondContact O-CA 3.09Å; V1088-G1090 PolarHBondContact O-N 3.33Å
1091	L	88.2	Confident	90	Very high	35 Å²	35	56.3 Å²	56.3	18%	0.183	27%	0.274	C	S	.	.			trans	-87.7	126.3	170.2	-68.2	173.5	0	0	0	110.4	V1088 Y1089 V1095 V1146 R1147	V1088-L1091 PolarHBondContact O-N 3.05Å; Y1089-L1091 VanDerWaalsContact C-N 3.27Å; Y1089-L1091 PolarHBondContact O-N 3.33Å; L1091-V1095 HydrophobicContact CB-CG2 4.14Å; L1091-V1095 HydrophobicContact CD1-CG2 3.55Å; L1091-V1095 HydrophobicContact CG-CG2 4.47Å; L1091-V1146 HydrophobicContact CD1-CG1 3.92Å; L1091-R1147 HydrophobicContact CD1-CG 4.33Å; L1091-R1147 HydrophobicContact CD2-CG 4.11Å; L1091-R1147 HydrophobicContact CG-CG 4.43Å
1092	E	73.8	Confident	90.3	Very high	118 Å²	118	61.1 Å²	61.1	55%	0.551	30%	0.295	S	S	*	.			trans	-77.8	-30.4	178.8	-64.1	-173.2	152.2	0	0	112.2	K267	K267-E1092 IonicContact NZ-OE1 3.84Å; K267-E1092 PolarHBondContact NZ-OE1 3.39Å
1093	E	75.2	Confident	90.3	Very high	138 Å²	138	60.2 Å²	60.2	65%	0.645	29%	0.29	S	S	*	.	S	Bend	trans	-81	144.9	-178.9	-69.5	166.5	-141.9	0	0	111.7	K1067 V1095	K1067-E1093 IonicContact NZ-OE1 3.37Å; E1093-V1095 PolarHBondContact O-N 3.13Å
1094	R	80.7	Confident	90.4	Very high	255 Å²	255	60.1 Å²	60.1	96%	0.962	29%	0.289	S	S	*	.			trans	-66.6	100.3	173.2	-82.5	-173.9	178	179	0.7	109.7
1095	V	88.1	Confident	90.5	Very high	19 Å²	19	62.3 Å²	62.3	12%	0.115	30%	0.301	C	S	.	.			trans	-72.2	125.1	176.6	-173	0	0	0	0	110.3	R1084 V1088 L1091 E1093 K1099 V1100 V1146	R1084-V1095 PolarHBondContact NH2-O 3.27Å; V1088-V1095 HydrophobicContact CB-CG2 4.34Å; V1088-V1095 HydrophobicContact CG1-CB 3.98Å; V1088-V1095 HydrophobicContact CG1-CG1 4.26Å; V1088-V1095 HydrophobicContact CG1-CG2 4.17Å; L1091-V1095 HydrophobicContact CB-CG2 4.14Å; L1091-V1095 HydrophobicContact CD1-CG2 3.55Å; L1091-V1095 HydrophobicContact CG-CG2 4.47Å; E1093-V1095 PolarHBondContact O-N 3.13Å; V1095-K1099 HydrophobicContact CG1-CB 4Å; V1095-K1099 HydrophobicContact CG1-CD 4.15Å; V1095-K1099 HydrophobicContact CG1-CG 4.39Å; V1095-V1100 HydrophobicContact CG1-CG2 4.11Å; V1095-V1146 HydrophobicContact CG1-CG2 3.94Å
1096	P	92	Very high	90.5	Very high	77 Å²	77	60.8 Å²	60.8	50%	0.5	30%	0.296	S	S	.	.			trans	-63	144.7	174.5	26.1	-33	0	0	0	110.3	S1098 K1099	P1096-S1098 PolarHBondContact O-N 3.45Å; P1096-K1099 HydrophobicContact CG-CB 4.23Å; P1096-K1099 PolarHBondContact O-N 3.29Å; P1096-K1099 VanDerWaalsContact O-N 3.17Å
1097	H	92.4	Very high	90.5	Very high	90 Å²	90	60.8 Å²	60.8	42%	0.417	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-30.7	-175.3	-172.4	51	0	0	0	112.8	K1099 V1100 V1101 Y1120	H1097-K1099 VanDerWaalsContact C-N 3.3Å; H1097-K1099 PolarHBondContact O-N 3Å; H1097-V1100 WeakPolarHBondContact O-CB 3.38Å; H1097-V1100 PolarHBondContact O-N 3.27Å; H1097-V1100 VanDerWaalsContact O-N 3.08Å; H1097-V1101 WeakPolarHBondContact O-CG2 3.26Å; H1097-V1101 PolarHBondContact O-N 3.04Å; H1097-Y1120 AromaticContact CE1-CD2 3.66Å; H1097-Y1120 AromaticContact CE1-CG 3.79Å; H1097-Y1120 AromaticContact NE2-CD2 3.97Å
1098	S	94.3	Very high	90.5	Very high	87 Å²	87	62.8 Å²	62.8	61%	0.608	31%	0.306	S	S	*	.	H	α-helix	trans	-54	-44.3	174.4	50.7	0	0	0	0	112.6	P1096 V1100 V1101 E1102	P1096-S1098 PolarHBondContact O-N 3.45Å; S1098-V1100 VanDerWaalsContact C-N 3.32Å; S1098-V1100 PolarHBondContact O-N 2.86Å; S1098-V1101 PolarHBondContact O-N 3.16Å; S1098-E1102 PolarHBondContact O-N 2.96Å
1099	K	93.5	Very high	90.5	Very high	79 Å²	79	61.8 Å²	61.8	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-32.2	178.6	-165.6	178	-174.6	-173.2	0	112.6	V1095 P1096 H1097 A1103 V1146	V1095-K1099 HydrophobicContact CG1-CB 4Å; V1095-K1099 HydrophobicContact CG1-CD 4.15Å; V1095-K1099 HydrophobicContact CG1-CG 4.39Å; P1096-K1099 HydrophobicContact CG-CB 4.23Å; P1096-K1099 PolarHBondContact O-N 3.29Å; P1096-K1099 VanDerWaalsContact O-N 3.17Å; H1097-K1099 VanDerWaalsContact C-N 3.3Å; H1097-K1099 PolarHBondContact O-N 3Å; K1099-A1103 WeakPolarHBondContact O-CB 3.45Å; K1099-A1103 PolarHBondContact O-N 3.39Å; K1099-A1103 VanDerWaalsContact O-N 3.08Å; K1099-V1146 WeakPolarHBondContact CE-O 3.44Å; K1099-V1146 HydrophobicContact CG-CG2 4.27Å; K1099-V1146 PolarHBondContact NZ-O 3.44Å
1100	V	95	Very high	90.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-43.3	173.6	-178.7	0	0	0	0	110.4	R1084 I1087 V1088 V1095 H1097 S1098 A1103 A1104 Y1120 V1146	R1084-V1100 HydrophobicContact CG-CG1 4.46Å; I1087-V1100 HydrophobicContact CB-CG1 4.14Å; I1087-V1100 HydrophobicContact CD1-CG1 3.93Å; I1087-V1100 HydrophobicContact CG2-CG1 3.9Å; V1088-V1100 HydrophobicContact CG1-CG2 3.43Å; V1088-V1100 VanDerWaalsContact CG1-CG2 3.43Å; V1095-V1100 HydrophobicContact CG1-CG2 4.11Å; H1097-V1100 WeakPolarHBondContact O-CB 3.38Å; H1097-V1100 PolarHBondContact O-N 3.27Å; H1097-V1100 VanDerWaalsContact O-N 3.08Å; S1098-V1100 VanDerWaalsContact C-N 3.32Å; S1098-V1100 PolarHBondContact O-N 2.86Å; V1100-A1103 PolarHBondContact O-N 3.19Å; V1100-A1104 WeakPolarHBondContact O-CB 3.19Å; V1100-A1104 PolarHBondContact O-N 3.48Å; V1100-Y1120 HydrophobicContact CG1-CD1 4.22Å; V1100-Y1120 HydrophobicContact CG1-CE1 3.95Å; V1100-V1146 HydrophobicContact CG2-CG2 4.44Å
1101	V	96	Very high	91.2	Very high	25 Å²	25	68.5 Å²	68.5	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-43	177.8	172.6	0	0	0	0	111.2	H1097 S1098 A1104 K1105 Y1120	H1097-V1101 WeakPolarHBondContact O-CG2 3.26Å; H1097-V1101 PolarHBondContact O-N 3.04Å; S1098-V1101 PolarHBondContact O-N 3.16Å; V1101-A1104 PolarHBondContact O-N 3Å; V1101-K1105 HydrophobicContact CG1-CD 4.25Å; V1101-K1105 HydrophobicContact CG1-CG 4.41Å; V1101-K1105 WeakPolarHBondContact O-CG 3.31Å; V1101-K1105 PolarHBondContact O-N 3.18Å; V1101-Y1120 HydrophobicContact CG2-CE2 4.01Å
1102	E	94.9	Very high	91.5	Very high	121 Å²	121	69 Å²	69	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-58.9	-48.9	176	-172.4	-176	175.8	0	0	111.7	S1098 A1104 K1105 L1106	S1098-E1102 PolarHBondContact O-N 2.96Å; E1102-A1104 VanDerWaalsContact C-N 3.3Å; E1102-A1104 PolarHBondContact O-N 3.05Å; E1102-K1105 PolarHBondContact O-N 2.9Å; E1102-L1106 WeakPolarHBondContact O-CG 3.37Å; E1102-L1106 PolarHBondContact O-N 3.49Å
1103	A	95	Very high	92.5	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-38.5	176	0	0	0	0	0	112.4	K1099 V1100 A1107 L1145 V1146	K1099-A1103 WeakPolarHBondContact O-CB 3.45Å; K1099-A1103 PolarHBondContact O-N 3.39Å; K1099-A1103 VanDerWaalsContact O-N 3.08Å; V1100-A1103 PolarHBondContact O-N 3.19Å; A1103-A1107 VanDerWaalsContact O-CB 3.32Å; A1103-A1107 WeakPolarHBondContact O-CB 3.36Å; A1103-A1107 PolarHBondContact O-N 3.48Å; A1103-L1145 HydrophobicContact CB-CB 4.13Å; A1103-V1146 HydrophobicContact CB-CB 3.9Å; A1103-V1146 HydrophobicContact CB-CG2 4.38Å
1104	A	95.8	Very high	93.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.1	-31.7	177	0	0	0	0	0	113.4	V1100 V1101 E1102 N1108 I1109 H1110 Y1120	V1100-A1104 WeakPolarHBondContact O-CB 3.19Å; V1100-A1104 PolarHBondContact O-N 3.48Å; V1101-A1104 PolarHBondContact O-N 3Å; E1102-A1104 VanDerWaalsContact C-N 3.3Å; E1102-A1104 PolarHBondContact O-N 3.05Å; A1104-N1108 PolarHBondContact O-N 2.86Å; A1104-I1109 HydrophobicContact CB-CG2 3.83Å; A1104-I1109 WeakPolarHBondContact O-CG2 3.35Å; A1104-I1109 PolarHBondContact O-N 3.29Å; A1104-H1110 HydrophobicContact CB-CB 4.26Å; A1104-H1110 PolarHBondContact O-N 2.67Å; A1104-Y1120 HydrophobicContact CB-CE1 4.24Å; A1104-Y1120 WeakPolarHBondContact CB-OH 3.16Å
1105	K	95.9	Very high	94	Very high	121 Å²	121	53.3 Å²	53.3	53%	0.526	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-46.6	172.8	-76.6	-178.7	175.8	-172.9	0	110.9	V1101 E1102 A1107 N1108 H1110	V1101-K1105 HydrophobicContact CG1-CD 4.25Å; V1101-K1105 HydrophobicContact CG1-CG 4.41Å; V1101-K1105 WeakPolarHBondContact O-CG 3.31Å; V1101-K1105 PolarHBondContact O-N 3.18Å; E1102-K1105 PolarHBondContact O-N 2.9Å; K1105-A1107 PolarHBondContact O-N 2.89Å; K1105-N1108 PolarHBondContact O-N 3.4Å; K1105-H1110 WeakPolarHBondContact CE-CD2 3.3Å; K1105-H1110 HydrophobicContact CG-CB 3.71Å
1106	L	93.3	Very high	94.1	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.346	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-34.7	175.1	-71.7	172	0	0	0	112.4	E1102 N1108 L1145	E1102-L1106 WeakPolarHBondContact O-CG 3.37Å; E1102-L1106 PolarHBondContact O-N 3.49Å; L1106-N1108 PolarHBondContact O-N 3.5Å; L1106-L1145 HydrophobicContact CB-CD1 3.7Å; L1106-L1145 HydrophobicContact CD1-CD1 4.42Å
1107	A	94.2	Very high	93.9	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	7.7	175.2	0	0	0	0	0	114.2	A1103 K1105 I1109 R1138 I1141 A1142	A1103-A1107 VanDerWaalsContact O-CB 3.32Å; A1103-A1107 WeakPolarHBondContact O-CB 3.36Å; A1103-A1107 PolarHBondContact O-N 3.48Å; K1105-A1107 PolarHBondContact O-N 2.89Å; A1107-I1109 HydrophobicContact CB-CG2 4.39Å; A1107-I1109 PolarHBondContact O-N 3.46Å; A1107-I1109 VanDerWaalsContact O-N 3.17Å; A1107-R1138 WeakPolarHBondContact CB-O 3.22Å; A1107-R1138 WeakPolarHBondContact O-CB 3.33Å; A1107-R1138 WeakPolarHBondContact O-CD 3.44Å; A1107-R1138 VanDerWaalsContact O-CG 3.24Å; A1107-R1138 WeakPolarHBondContact O-CG 3.27Å; A1107-I1141 HydrophobicContact CB-CB 4.06Å; A1107-I1141 HydrophobicContact CB-CG2 3.84Å; A1107-A1142 HydrophobicContact CB-CB 3.81Å
1108	N	94.2	Very high	93.9	Very high	42 Å²	42	57.2 Å²	57.2	23%	0.225	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.8	-178.1	-64.6	-26.7	0	0	0	114.6	A1104 K1105 L1106 R1138 V1168 D1171 A1172 K1175	A1104-N1108 PolarHBondContact O-N 2.86Å; K1105-N1108 PolarHBondContact O-N 3.4Å; L1106-N1108 PolarHBondContact O-N 3.5Å; N1108-R1138 PolarHBondContact O-NH1 2.65Å; N1108-V1168 HydrophobicContact CB-CG1 4.16Å; N1108-V1168 PolarHBondContact ND2-O 2.94Å; N1108-D1171 PolarHBondContact ND2-OD2 3.01Å; N1108-A1172 HydrophobicContact CB-CB 4.46Å; N1108-K1175 PolarHBondContact OD1-NZ 3.33Å
1109	I	94.5	Very high	93.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.			trans	-113	-10.6	-178	-160.8	62.5	0	0	0	113.7	A1104 A1107 E1111 F1112 I1113 Q1135 R1138 I1139	A1104-I1109 HydrophobicContact CB-CG2 3.83Å; A1104-I1109 WeakPolarHBondContact O-CG2 3.35Å; A1104-I1109 PolarHBondContact O-N 3.29Å; A1107-I1109 HydrophobicContact CB-CG2 4.39Å; A1107-I1109 PolarHBondContact O-N 3.46Å; A1107-I1109 VanDerWaalsContact O-N 3.17Å; I1109-E1111 PolarHBondContact O-N 3Å; I1109-F1112 HydrophobicContact CD1-CB 4.04Å; I1109-F1112 HydrophobicContact CD1-CD1 3.68Å; I1109-F1112 HydrophobicContact CD1-CG 4.15Å; I1109-F1112 HydrophobicContact CG1-CD1 4.29Å; I1109-F1112 PolarHBondContact O-N 2.84Å; I1109-I1113 HydrophobicContact CG1-CD1 4.21Å; I1109-I1113 HydrophobicContact CG1-CG1 4.13Å; I1109-I1113 HydrophobicContact CG2-CD1 3.91Å; I1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; I1109-I1113 PolarHBondContact O-N 3.46Å; I1109-Q1135 HydrophobicContact CD1-CB 4.35Å; I1109-Q1135 HydrophobicContact CD1-CG 4.37Å; I1109-R1138 HydrophobicContact CB-CB 3.88Å; I1109-R1138 HydrophobicContact CD1-CB 4.04Å; I1109-R1138 HydrophobicContact CG1-CB 4.17Å; I1109-I1139 HydrophobicContact CG1-CG1 4.11Å
1110	H	96	Very high	94	Very high	20 Å²	20	50.6 Å²	50.6	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-49.6	-173.6	-178.4	44.6	0	0	0	114.2	A1104 K1105 F1112 I1113 L1114 Y1120	A1104-H1110 HydrophobicContact CB-CB 4.26Å; A1104-H1110 PolarHBondContact O-N 2.67Å; K1105-H1110 WeakPolarHBondContact CE-CD2 3.3Å; K1105-H1110 HydrophobicContact CG-CB 3.71Å; H1110-F1112 VanDerWaalsContact C-N 3.31Å; H1110-F1112 PolarHBondContact O-N 3.34Å; H1110-I1113 PolarHBondContact O-N 2.87Å; H1110-I1113 VanDerWaalsContact O-N 3.14Å; H1110-L1114 PolarHBondContact O-N 3.31Å; H1110-Y1120 AromaticContact ND1-CE2 3.79Å; H1110-Y1120 AromaticContact ND1-CZ 3.79Å; H1110-Y1120 PolarHBondContact ND1-OH 3.31Å
1111	E	93.6	Very high	94	Very high	140 Å²	140	55.6 Å²	55.6	65%	0.654	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-41.4	-179.1	-62.7	-54.5	141.6	0	0	111.6	I1109 I1113 L1114 S1115	I1109-E1111 PolarHBondContact O-N 3Å; E1111-I1113 PolarHBondContact O-N 2.98Å; E1111-L1114 PolarHBondContact O-N 2.75Å; E1111-S1115 PolarHBondContact O-N 3.02Å
1112	F	93.4	Very high	93.8	Very high	46 Å²	46	55.2 Å²	55.2	20%	0.202	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.2	173.5	-100.8	0	0	0	111.3	I1109 H1110 L1114 S1115 L1116 L1131 Q1135	I1109-F1112 HydrophobicContact CD1-CB 4.04Å; I1109-F1112 HydrophobicContact CD1-CD1 3.68Å; I1109-F1112 HydrophobicContact CD1-CG 4.15Å; I1109-F1112 HydrophobicContact CG1-CD1 4.29Å; I1109-F1112 PolarHBondContact O-N 2.84Å; H1110-F1112 VanDerWaalsContact C-N 3.31Å; H1110-F1112 PolarHBondContact O-N 3.34Å; F1112-L1114 VanDerWaalsContact C-N 3.29Å; F1112-L1114 PolarHBondContact O-N 3.25Å; F1112-S1115 WeakPolarHBondContact O-CB 3.35Å; F1112-S1115 PolarHBondContact O-N 2.93Å; F1112-S1115 VanDerWaalsContact O-N 3.14Å; F1112-S1115 PolarHBondContact O-OG 2.94Å; F1112-L1116 HydrophobicContact CE1-CD1 4.12Å; F1112-L1116 HydrophobicContact CZ-CD2 4.18Å; F1112-L1131 HydrophobicContact CE1-CD2 3.55Å; F1112-L1131 HydrophobicContact CZ-CD2 3.69Å; F1112-Q1135 HydrophobicContact CD1-CG 4.48Å; F1112-Q1135 HydrophobicContact CE1-CG 4.25Å; F1112-Q1135 VanDerWaalsContact CE2-NE2 3.28Å; F1112-Q1135 HydrophobicContact CZ-CG 4.31Å
1113	I	94.5	Very high	93.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-41.3	178	-64.6	175	0	0	0	110.9	L1083 I1087 I1109 H1110 E1111 S1115 L1116 G1119 Y1120	L1083-I1113 HydrophobicContact CD1-CG1 4.14Å; L1083-I1113 HydrophobicContact CD1-CG2 4.21Å; I1087-I1113 HydrophobicContact CD1-CD1 4.28Å; I1109-I1113 HydrophobicContact CG1-CD1 4.21Å; I1109-I1113 HydrophobicContact CG1-CG1 4.13Å; I1109-I1113 HydrophobicContact CG2-CD1 3.91Å; I1109-I1113 WeakPolarHBondContact O-CG1 3.39Å; I1109-I1113 PolarHBondContact O-N 3.46Å; H1110-I1113 PolarHBondContact O-N 2.87Å; H1110-I1113 VanDerWaalsContact O-N 3.14Å; E1111-I1113 PolarHBondContact O-N 2.98Å; I1113-S1115 VanDerWaalsContact C-N 3.29Å; I1113-S1115 PolarHBondContact O-N 3.4Å; I1113-L1116 WeakPolarHBondContact O-CB 3.2Å; I1113-L1116 PolarHBondContact O-N 2.84Å; I1113-L1116 VanDerWaalsContact O-N 3.16Å; I1113-G1119 VanDerWaalsContact CG2-C 3.47Å; I1113-G1119 VanDerWaalsContact O-CA 3.3Å; I1113-G1119 WeakPolarHBondContact O-CA 3.24Å; I1113-Y1120 HydrophobicContact CD1-CD1 4.14Å; I1113-Y1120 HydrophobicContact CD1-CE1 3.64Å; I1113-Y1120 HydrophobicContact CG2-CD1 3.86Å; I1113-Y1120 HydrophobicContact CG2-CD2 3.78Å; I1113-Y1120 HydrophobicContact CG2-CE1 4.03Å; I1113-Y1120 HydrophobicContact CG2-CE2 3.96Å; I1113-Y1120 HydrophobicContact CG2-CG 3.73Å
1114	L	93.6	Very high	93.3	Very high	95 Å²	95	53.5 Å²	53.5	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-67.3	-28.2	178.3	-72.6	-178.2	0	0	0	113.4	H1110 E1111 F1112 L1116	H1110-L1114 PolarHBondContact O-N 3.31Å; E1111-L1114 PolarHBondContact O-N 2.75Å; F1112-L1114 VanDerWaalsContact C-N 3.29Å; F1112-L1114 PolarHBondContact O-N 3.25Å; L1114-L1116 PolarHBondContact O-N 3.43Å
1115	S	93.5	Very high	92.5	Very high	86 Å²	86	54.2 Å²	54.2	60%	0.601	30%	0.295	S	S	*	.	H	α-helix	trans	-67.1	-17.5	173.5	76.1	0	0	0	0	113.5	E1111 F1112 I1113	E1111-S1115 PolarHBondContact O-N 3.02Å; F1112-S1115 WeakPolarHBondContact O-CB 3.35Å; F1112-S1115 PolarHBondContact O-N 2.93Å; F1112-S1115 VanDerWaalsContact O-N 3.14Å; F1112-S1115 PolarHBondContact O-OG 2.94Å; I1113-S1115 VanDerWaalsContact C-N 3.29Å; I1113-S1115 PolarHBondContact O-N 3.4Å
1116	L	92	Very high	91.2	Very high	22 Å²	22	57.6 Å²	57.6	12%	0.115	31%	0.313	C	S	.	.	S	Bend	trans	-78.9	143.6	178.5	-59.6	174.5	0	0	0	111.4	L1083 F1112 I1113 L1114 L1118 G1119 T1122 L1129	L1083-L1116 HydrophobicContact CD1-CD1 3.64Å; F1112-L1116 HydrophobicContact CE1-CD1 4.12Å; F1112-L1116 HydrophobicContact CZ-CD2 4.18Å; I1113-L1116 WeakPolarHBondContact O-CB 3.2Å; I1113-L1116 PolarHBondContact O-N 2.84Å; I1113-L1116 VanDerWaalsContact O-N 3.16Å; L1114-L1116 PolarHBondContact O-N 3.43Å; L1116-L1118 PolarHBondContact O-N 3.46Å; L1116-G1119 PolarHBondContact O-N 2.96Å; L1116-T1122 HydrophobicContact CD1-CG2 4.15Å; L1116-L1129 HydrophobicContact CD1-CD2 3.69Å; L1116-L1129 HydrophobicContact CD2-CD2 3.54Å; L1116-L1129 HydrophobicContact CG-CD2 4.28Å
1117	P	87.6	Confident	89.9	Confident	130 Å²	130	62.6 Å²	62.6	84%	0.844	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.5	-174.3	-26.1	32.8	0	0	0	115.1
1118	L	92.3	Very high	88.7	Confident	117 Å²	117	63.9 Å²	63.9	61%	0.613	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	7.1	-179.7	-62	176.1	0	0	0	112.7	L1116 Y1120 N1121	L1116-L1118 PolarHBondContact O-N 3.46Å; L1118-Y1120 PolarHBondContact O-N 3.1Å; L1118-N1121 HydrophobicContact CB-CB 4.35Å; L1118-N1121 WeakPolarHBondContact O-CB 3.47Å; L1118-N1121 PolarHBondContact O-N 3.42Å
1119	G	93.8	Very high	88	Confident	13 Å²	13	65 Å²	65	13%	0.134	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	53.3	-128.8	-177.1	0	0	0	0	0	112.3	I1113 L1116 N1121 T1122	I1113-G1119 VanDerWaalsContact CG2-C 3.47Å; I1113-G1119 VanDerWaalsContact O-CA 3.3Å; I1113-G1119 WeakPolarHBondContact O-CA 3.24Å; L1116-G1119 PolarHBondContact O-N 2.96Å; G1119-N1121 PolarHBondContact O-N 2.96Å; G1119-T1122 WeakPolarHBondContact O-CB 3.24Å; G1119-T1122 PolarHBondContact O-N 2.9Å; G1119-T1122 PolarHBondContact O-OG1 2.75Å
1120	Y	95.2	Very high	87.2	Confident	13 Å²	13	71.6 Å²	71.6	5%	0.051	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-66.2	-14.9	176.2	-77.8	-83.9	0	0	0	115.2	L1083 R1084 I1087 H1097 V1100 V1101 A1104 H1110 I1113 L1118 T1122	L1083-Y1120 PolarHBondContact N-O 3.43Å; R1084-Y1120 PolarHBondContact N-O 3.34Å; I1087-Y1120 HydrophobicContact CD1-CD1 4.27Å; I1087-Y1120 HydrophobicContact CD1-CE1 3.88Å; H1097-Y1120 AromaticContact CE1-CD2 3.66Å; H1097-Y1120 AromaticContact CE1-CG 3.79Å; H1097-Y1120 AromaticContact NE2-CD2 3.97Å; V1100-Y1120 HydrophobicContact CG1-CD1 4.22Å; V1100-Y1120 HydrophobicContact CG1-CE1 3.95Å; V1101-Y1120 HydrophobicContact CG2-CE2 4.01Å; A1104-Y1120 HydrophobicContact CB-CE1 4.24Å; A1104-Y1120 WeakPolarHBondContact CB-OH 3.16Å; H1110-Y1120 AromaticContact ND1-CE2 3.79Å; H1110-Y1120 AromaticContact ND1-CZ 3.79Å; H1110-Y1120 PolarHBondContact ND1-OH 3.31Å; I1113-Y1120 HydrophobicContact CD1-CD1 4.14Å; I1113-Y1120 HydrophobicContact CD1-CE1 3.64Å; I1113-Y1120 HydrophobicContact CG2-CD1 3.86Å; I1113-Y1120 HydrophobicContact CG2-CD2 3.78Å; I1113-Y1120 HydrophobicContact CG2-CE1 4.03Å; I1113-Y1120 HydrophobicContact CG2-CE2 3.96Å; I1113-Y1120 HydrophobicContact CG2-CG 3.73Å; L1118-Y1120 PolarHBondContact O-N 3.1Å; Y1120-T1122 VanDerWaalsContact C-N 3.31Å
1121	N	94.5	Very high	86.7	Confident	105 Å²	105	71.2 Å²	71.2	56%	0.561	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-87.3	-2.9	176.9	-64.8	-35.8	0	0	0	112.8	T1082 L1118 G1119 L1123	T1082-N1121 WeakPolarHBondContact CG2-O 3.32Å; L1118-N1121 HydrophobicContact CB-CB 4.35Å; L1118-N1121 WeakPolarHBondContact O-CB 3.47Å; L1118-N1121 PolarHBondContact O-N 3.42Å; G1119-N1121 PolarHBondContact O-N 2.96Å; N1121-L1123 PolarHBondContact O-N 2.87Å
1122	T	93.2	Very high	86.4	Confident	17 Å²	17	66.8 Å²	66.8	10%	0.104	36%	0.364	C	S	.	.			trans	-59.1	131.5	173.7	-51	0	0	0	0	110.2	T1082 L1083 L1116 G1119 Y1120 L1129	T1082-T1122 CarbonylContact C-O 3.59Å; T1082-T1122 VanDerWaalsContact CA-O 3.28Å; T1082-T1122 WeakPolarHBondContact CA-O 3.4Å; L1083-T1122 PolarHBondContact N-O 3.28Å; L1116-T1122 HydrophobicContact CD1-CG2 4.15Å; G1119-T1122 WeakPolarHBondContact O-CB 3.24Å; G1119-T1122 PolarHBondContact O-N 2.9Å; G1119-T1122 PolarHBondContact O-OG1 2.75Å; Y1120-T1122 VanDerWaalsContact C-N 3.31Å; T1122-L1129 HydrophobicContact CG2-CB 4.26Å; T1122-L1129 HydrophobicContact CG2-CD2 4.31Å
1123	L	91.1	Very high	85.9	Confident	91 Å²	91	66.3 Å²	66.3	48%	0.476	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.7	174.2	-71.4	167.9	0	0	0	109.8	T1082 N1121 G1128 L1129	T1082-L1123 HydrophobicContact CG2-CD2 4.23Å; N1121-L1123 PolarHBondContact O-N 2.87Å; L1123-G1128 WeakPolarHBondContact O-CA 3.42Å; L1123-L1129 PolarHBondContact O-N 2.95Å
1124	A	87.3	Confident	85.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	165	173.4	0	0	0	0	0	110.2	L1078 F1079 N1080 V1081 L1083	L1078-A1124 HydrophobicContact CD1-CB 4.3Å; F1079-A1124 VanDerWaalsContact O-O 3.07Å; N1080-A1124 VanDerWaalsContact CA-O 3.25Å; N1080-A1124 WeakPolarHBondContact CA-O 3.38Å; V1081-A1124 PolarHBondContact O-N 3.4Å; L1083-A1124 HydrophobicContact CD2-CB 3.67Å; L1083-A1124 HydrophobicContact CG-CB 4.4Å
1125	G	79.5	Confident	85.5	Confident	15 Å²	15	63.6 Å²	63.6	16%	0.155	36%	0.357	C	S	.	.	S	Bend	trans	104.1	-170.7	-177.7	0	0	0	0	0	112.4	R1127 G1128	G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.13Å; G1125-G1128 PolarHBondContact O-N 3.46Å
1126	E	68.9	Low	85.4	Confident	191 Å²	191	63.1 Å²	63.1	89%	0.893	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.4	-171.7	-71.1	-171.8	155.7	0	0	115.1
1127	R	65	Low	85.4	Confident	172 Å²	172	62.2 Å²	62.2	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	4.4	177.3	-54.8	-172.6	-177.2	166.6	-0.5	113.3	G1125	G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.13Å
1128	G	69.6	Low	85.7	Confident	27 Å²	27	57.8 Å²	57.8	28%	0.278	31%	0.306	S	S	.	.	S	Bend	trans	-112.5	-153.6	-178.4	0	0	0	0	0	111.8	L1123 G1125 N1130	L1123-G1128 WeakPolarHBondContact O-CA 3.42Å; G1125-G1128 PolarHBondContact O-N 3.46Å; G1128-N1130 PolarHBondContact O-N 3.5Å
1129	L	78.3	Confident	85.8	Confident	65 Å²	65	52.2 Å²	52.2	34%	0.34	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-68.1	126.6	175.3	-176	68	0	0	0	111	L1116 T1122 L1123 L1131	L1116-L1129 HydrophobicContact CD1-CD2 3.69Å; L1116-L1129 HydrophobicContact CD2-CD2 3.54Å; L1116-L1129 HydrophobicContact CG-CD2 4.28Å; T1122-L1129 HydrophobicContact CG2-CB 4.26Å; T1122-L1129 HydrophobicContact CG2-CD2 4.31Å; L1123-L1129 PolarHBondContact O-N 2.95Å; L1129-L1131 HydrophobicContact CD2-CD2 3.58Å; L1129-L1131 HydrophobicContact CD2-CG 4.45Å; L1129-L1131 HydrophobicContact CG-CD2 4Å; L1129-L1131 HydrophobicContact CG-CG 4.48Å; L1129-L1131 PolarHBondContact O-N 2.8Å
1130	N	79	Confident	85.8	Confident	138 Å²	138	51.8 Å²	51.8	74%	0.738	27%	0.272	S	S	*	.			trans	-77.4	110.1	169.8	-81.2	-25.1	0	0	0	110	G1128	G1128-N1130 PolarHBondContact O-N 3.5Å
1131	L	84.5	Confident	85.7	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.068	27%	0.27	C	S	.	.			trans	-94.6	149.7	-179.9	-65.2	175	0	0	0	111.7	L1078 L1083 F1112 L1129 Q1135 K1136 I1139	L1078-L1131 HydrophobicContact CD1-CD1 3.66Å; L1083-L1131 HydrophobicContact CD2-CD1 4.17Å; F1112-L1131 HydrophobicContact CE1-CD2 3.55Å; F1112-L1131 HydrophobicContact CZ-CD2 3.69Å; L1129-L1131 HydrophobicContact CD2-CD2 3.58Å; L1129-L1131 HydrophobicContact CD2-CG 4.45Å; L1129-L1131 HydrophobicContact CG-CD2 4Å; L1129-L1131 HydrophobicContact CG-CG 4.48Å; L1129-L1131 PolarHBondContact O-N 2.8Å; L1131-Q1135 HydrophobicContact CB-CB 4.08Å; L1131-Q1135 HydrophobicContact CD2-CB 4.39Å; L1131-K1136 HydrophobicContact CB-CG 3.75Å; L1131-K1136 VanDerWaalsContact O-CE 3.29Å; L1131-K1136 WeakPolarHBondContact O-CE 3.3Å; L1131-I1139 HydrophobicContact CD1-CD1 3.25Å
1132	S	87.1	Confident	85.8	Confident	46 Å²	46	46.2 Å²	46.2	32%	0.322	24%	0.243	S	C	.	.			trans	-64.8	159.5	172.1	79	0	0	0	0	111.4	G1134 Q1135 K1136	S1132-G1134 VanDerWaalsContact C-N 3.26Å; S1132-G1134 PolarHBondContact O-N 3.5Å; S1132-Q1135 PolarHBondContact O-N 3.24Å; S1132-Q1135 VanDerWaalsContact O-N 3.15Å; S1132-Q1135 VanDerWaalsContact OG-CG 3.28Å; S1132-Q1135 WeakPolarHBondContact OG-CG 3.16Å; S1132-Q1135 PolarHBondContact OG-N 3.24Å; S1132-K1136 WeakPolarHBondContact O-CG 3.44Å; S1132-K1136 PolarHBondContact O-N 2.92Å
1133	G	84.6	Confident	85.8	Confident	37 Å²	37	45.6 Å²	45.6	38%	0.381	24%	0.239	S	C	.	.	H	α-helix	trans	-51.6	-46.9	176.1	0	0	0	0	0	111.9	Q1135 K1136 Q1137	G1133-Q1135 PolarHBondContact O-N 2.86Å; G1133-K1136 PolarHBondContact O-N 2.65Å; G1133-Q1137 PolarHBondContact O-N 3.42Å
1134	G	87.5	Confident	86	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-35.4	-179.7	0	0	0	0	0	113.8	S1132 Q1137 R1138	S1132-G1134 VanDerWaalsContact C-N 3.26Å; S1132-G1134 PolarHBondContact O-N 3.5Å; G1134-Q1137 PolarHBondContact O-N 3.48Å; G1134-R1138 WeakPolarHBondContact O-CG 3.24Å; G1134-R1138 PolarHBondContact O-N 3.22Å; G1134-R1138 VanDerWaalsContact O-N 3.11Å
1135	Q	91.2	Very high	86.2	Confident	37 Å²	37	41.7 Å²	41.7	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-43.7	174.3	-71.3	163.8	-2.7	0	0	111.4	I1109 F1112 L1131 S1132 G1133 Q1137 R1138 I1139	I1109-Q1135 HydrophobicContact CD1-CB 4.35Å; I1109-Q1135 HydrophobicContact CD1-CG 4.37Å; F1112-Q1135 HydrophobicContact CD1-CG 4.48Å; F1112-Q1135 HydrophobicContact CE1-CG 4.25Å; F1112-Q1135 VanDerWaalsContact CE2-NE2 3.28Å; F1112-Q1135 HydrophobicContact CZ-CG 4.31Å; L1131-Q1135 HydrophobicContact CB-CB 4.08Å; L1131-Q1135 HydrophobicContact CD2-CB 4.39Å; S1132-Q1135 PolarHBondContact O-N 3.24Å; S1132-Q1135 VanDerWaalsContact O-N 3.15Å; S1132-Q1135 VanDerWaalsContact OG-CG 3.28Å; S1132-Q1135 WeakPolarHBondContact OG-CG 3.16Å; S1132-Q1135 PolarHBondContact OG-N 3.24Å; G1133-Q1135 PolarHBondContact O-N 2.86Å; Q1135-Q1137 VanDerWaalsContact C-N 3.29Å; Q1135-Q1137 PolarHBondContact O-N 3.48Å; Q1135-R1138 PolarHBondContact O-N 3.12Å; Q1135-I1139 WeakPolarHBondContact O-CG1 3.27Å; Q1135-I1139 PolarHBondContact O-N 3.32Å; Q1135-I1139 VanDerWaalsContact O-N 3.1Å
1136	K	91.5	Very high	86.9	Confident	76 Å²	76	41 Å²	41	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-61.8	-40	175.6	-64.4	178.9	177.4	174.5	0	111.2	P1076 L1078 L1131 S1132 G1133 R1138 I1139 A1140	P1076-K1136 HydrophobicContact CB-CB 4.44Å; P1076-K1136 HydrophobicContact CG-CB 3.58Å; L1078-K1136 HydrophobicContact CD1-CB 4.31Å; L1078-K1136 HydrophobicContact CD1-CG 3.89Å; L1078-K1136 HydrophobicContact CG-CG 4.47Å; L1131-K1136 HydrophobicContact CB-CG 3.75Å; L1131-K1136 VanDerWaalsContact O-CE 3.29Å; L1131-K1136 WeakPolarHBondContact O-CE 3.3Å; S1132-K1136 WeakPolarHBondContact O-CG 3.44Å; S1132-K1136 PolarHBondContact O-N 2.92Å; G1133-K1136 PolarHBondContact O-N 2.65Å; K1136-R1138 PolarHBondContact O-N 3.03Å; K1136-I1139 PolarHBondContact O-N 2.96Å; K1136-A1140 PolarHBondContact O-N 3.39Å
1137	Q	91.7	Very high	87.8	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-48	177.9	-152.6	68.3	11.3	0	0	111.3	V1072 S1073 G1133 G1134 Q1135 I1139 A1140 I1141 A1157 V1169	V1072-Q1137 VanDerWaalsContact CG1-NE2 3.29Å; S1073-Q1137 PolarHBondContact O-NE2 2.83Å; G1133-Q1137 PolarHBondContact O-N 3.42Å; G1134-Q1137 PolarHBondContact O-N 3.48Å; Q1135-Q1137 VanDerWaalsContact C-N 3.29Å; Q1135-Q1137 PolarHBondContact O-N 3.48Å; Q1137-I1139 VanDerWaalsContact C-N 3.31Å; Q1137-I1139 PolarHBondContact O-N 2.69Å; Q1137-A1140 CarbonylContact O-C 3.58Å; Q1137-A1140 WeakPolarHBondContact O-CA 3.48Å; Q1137-A1140 WeakPolarHBondContact O-CB 3.3Å; Q1137-A1140 PolarHBondContact O-N 2.9Å; Q1137-I1141 WeakPolarHBondContact O-CG1 3.39Å; Q1137-I1141 PolarHBondContact O-N 3.4Å; Q1137-A1157 VanDerWaalsContact CD-O 3.31Å; Q1137-A1157 HydrophobicContact CG-CB 4.46Å; Q1137-A1157 VanDerWaalsContact CG-O 3.32Å; Q1137-A1157 WeakPolarHBondContact CG-O 3.32Å; Q1137-A1157 VanDerWaalsContact NE2-CA 3.28Å; Q1137-A1157 PolarHBondContact NE2-O 2.92Å; Q1137-V1169 HydrophobicContact CB-CG1 4.3Å; Q1137-V1169 HydrophobicContact CB-CG2 4.07Å; Q1137-V1169 HydrophobicContact CG-CG1 3.82Å; Q1137-V1169 HydrophobicContact CG-CG2 4.49Å
1138	R	93.3	Very high	88.9	Confident	36 Å²	36	28.2 Å²	28.2	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-35	177.5	-70.2	-175.3	-77.4	176.1	-7.9	113.1	A1107 N1108 I1109 G1134 Q1135 K1136 A1140 I1141 A1142 V1169	A1107-R1138 WeakPolarHBondContact CB-O 3.22Å; A1107-R1138 WeakPolarHBondContact O-CB 3.33Å; A1107-R1138 WeakPolarHBondContact O-CD 3.44Å; A1107-R1138 VanDerWaalsContact O-CG 3.24Å; A1107-R1138 WeakPolarHBondContact O-CG 3.27Å; N1108-R1138 PolarHBondContact O-NH1 2.65Å; I1109-R1138 HydrophobicContact CB-CB 3.88Å; I1109-R1138 HydrophobicContact CD1-CB 4.04Å; I1109-R1138 HydrophobicContact CG1-CB 4.17Å; G1134-R1138 WeakPolarHBondContact O-CG 3.24Å; G1134-R1138 PolarHBondContact O-N 3.22Å; G1134-R1138 VanDerWaalsContact O-N 3.11Å; Q1135-R1138 PolarHBondContact O-N 3.12Å; K1136-R1138 PolarHBondContact O-N 3.03Å; R1138-A1140 VanDerWaalsContact C-N 3.34Å; R1138-I1141 PolarHBondContact O-N 3.07Å; R1138-A1142 PolarHBondContact O-N 3.32Å; R1138-V1169 HydrophobicContact CG-CG2 3.91Å
1139	I	94.6	Very high	89.9	Confident	1 Å²	1	27 Å²	27	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-39.2	172.5	-65.4	162.7	0	0	0	111	L1078 L1083 N1086 I1087 I1109 L1131 Q1135 K1136 Q1137 A1142 R1143	L1078-I1139 HydrophobicContact CD1-CD1 3.86Å; L1078-I1139 HydrophobicContact CD2-CB 4.11Å; L1078-I1139 HydrophobicContact CD2-CG2 3.54Å; L1083-I1139 HydrophobicContact CD2-CD1 3.6Å; N1086-I1139 HydrophobicContact CB-CG2 4.36Å; I1087-I1139 HydrophobicContact CG1-CG2 4.25Å; I1109-I1139 HydrophobicContact CG1-CG1 4.11Å; L1131-I1139 HydrophobicContact CD1-CD1 3.25Å; Q1135-I1139 WeakPolarHBondContact O-CG1 3.27Å; Q1135-I1139 PolarHBondContact O-N 3.32Å; Q1135-I1139 VanDerWaalsContact O-N 3.1Å; K1136-I1139 PolarHBondContact O-N 2.96Å; Q1137-I1139 VanDerWaalsContact C-N 3.31Å; Q1137-I1139 PolarHBondContact O-N 2.69Å; I1139-A1142 PolarHBondContact O-N 3.02Å; I1139-R1143 WeakPolarHBondContact O-CB 3.43Å; I1139-R1143 PolarHBondContact O-N 3.44Å
1140	A	93.9	Very high	90.3	Very high	4 Å²	4	27 Å²	27	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-38.1	174.6	0	0	0	0	0	112.3	V1072 P1076 K1136 Q1137 R1138 R1143 A1144	V1072-A1140 HydrophobicContact CG1-CB 4.41Å; P1076-A1140 HydrophobicContact CB-CB 3.56Å; K1136-A1140 PolarHBondContact O-N 3.39Å; Q1137-A1140 CarbonylContact O-C 3.58Å; Q1137-A1140 WeakPolarHBondContact O-CA 3.48Å; Q1137-A1140 WeakPolarHBondContact O-CB 3.3Å; Q1137-A1140 PolarHBondContact O-N 2.9Å; R1138-A1140 VanDerWaalsContact C-N 3.34Å; A1140-R1143 WeakPolarHBondContact O-CB 3.24Å; A1140-R1143 PolarHBondContact O-N 3.45Å; A1140-A1144 PolarHBondContact O-N 3.4Å
1141	I	94.1	Very high	90.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-47.4	172.1	-64.4	167.6	0	0	0	110.1	V1072 A1107 Q1137 R1138 R1143 A1144 L1145 V1169 A1172 V1173 A1176	V1072-I1141 HydrophobicContact CG1-CG1 4.15Å; V1072-I1141 HydrophobicContact CG2-CG1 4.11Å; A1107-I1141 HydrophobicContact CB-CB 4.06Å; A1107-I1141 HydrophobicContact CB-CG2 3.84Å; Q1137-I1141 WeakPolarHBondContact O-CG1 3.39Å; Q1137-I1141 PolarHBondContact O-N 3.4Å; R1138-I1141 PolarHBondContact O-N 3.07Å; I1141-R1143 VanDerWaalsContact C-N 3.29Å; I1141-R1143 PolarHBondContact O-N 3.28Å; I1141-A1144 WeakPolarHBondContact O-CB 3.3Å; I1141-A1144 PolarHBondContact O-N 3.21Å; I1141-A1144 VanDerWaalsContact O-N 3.12Å; I1141-L1145 HydrophobicContact CG2-CD1 3.86Å; I1141-L1145 HydrophobicContact CG2-CG 4.27Å; I1141-L1145 WeakPolarHBondContact O-CB 3.42Å; I1141-L1145 WeakPolarHBondContact O-CG 3.33Å; I1141-L1145 PolarHBondContact O-N 2.88Å; I1141-V1169 HydrophobicContact CD1-CG1 4.2Å; I1141-A1172 HydrophobicContact CD1-CB 4.06Å; I1141-V1173 HydrophobicContact CD1-CG2 3.92Å; I1141-A1176 HydrophobicContact CG2-CB 4.24Å
1142	A	95.5	Very high	91.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-39.9	175.5	0	0	0	0	0	112	I1087 A1107 R1138 I1139 A1144 L1145 V1146	I1087-A1142 HydrophobicContact CD1-CB 4.32Å; I1087-A1142 HydrophobicContact CG1-CB 4.13Å; I1087-A1142 HydrophobicContact CG2-CB 4.23Å; A1107-A1142 HydrophobicContact CB-CB 3.81Å; R1138-A1142 PolarHBondContact O-N 3.32Å; I1139-A1142 PolarHBondContact O-N 3.02Å; A1142-A1144 VanDerWaalsContact C-N 3.34Å; A1142-L1145 PolarHBondContact O-N 3.35Å; A1142-V1146 PolarHBondContact O-N 3.46Å
1143	R	94.8	Very high	91.7	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-38.7	174.9	-176.7	-166.4	-69.4	166	-0.2	112.2	F263 V1077 N1086 I1087 I1139 A1140 I1141	F263-R1143 HydrophobicContact CD1-CG 3.95Å; F263-R1143 HydrophobicContact CE1-CB 4.48Å; F263-R1143 VanDerWaalsContact CE1-CD 3.46Å; F263-R1143 HydrophobicContact CE1-CG 3.58Å; F263-R1143 HydrophobicContact CZ-CG 4.12Å; V1077-R1143 PolarHBondContact O-NH1 3.13Å; V1077-R1143 PolarHBondContact O-NH2 3.05Å; N1086-R1143 WeakPolarHBondContact O-CG 3.26Å; N1086-R1143 PolarHBondContact O-NE 3.08Å; N1086-R1143 PolarHBondContact OD1-NH2 3.14Å; I1087-R1143 WeakPolarHBondContact O-CA 3.4Å; I1087-R1143 WeakPolarHBondContact O-CG 3.24Å; I1139-R1143 WeakPolarHBondContact O-CB 3.43Å; I1139-R1143 PolarHBondContact O-N 3.44Å; A1140-R1143 WeakPolarHBondContact O-CB 3.24Å; A1140-R1143 PolarHBondContact O-N 3.45Å; I1141-R1143 VanDerWaalsContact C-N 3.29Å; I1141-R1143 PolarHBondContact O-N 3.28Å
1144	A	93.4	Very high	92.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-45.6	174.3	0	0	0	0	0	111.1	V1072 A1140 I1141 A1142 R1147 P1149 L1152	V1072-A1144 HydrophobicContact CG2-CB 3.97Å; A1140-A1144 PolarHBondContact O-N 3.4Å; I1141-A1144 WeakPolarHBondContact O-CB 3.3Å; I1141-A1144 PolarHBondContact O-N 3.21Å; I1141-A1144 VanDerWaalsContact O-N 3.12Å; A1142-A1144 VanDerWaalsContact C-N 3.34Å; A1144-R1147 WeakPolarHBondContact O-CB 3.23Å; A1144-P1149 VanDerWaalsContact O-CD 3.26Å; A1144-P1149 WeakPolarHBondContact O-CD 3.48Å; A1144-P1149 WeakPolarHBondContact O-CG 3.37Å; A1144-L1152 HydrophobicContact CB-CD2 4.03Å
1145	L	93	Very high	92.2	Very high	9 Å²	9	17 Å²	17	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-70.1	-36	-174.5	-74.4	177.4	0	0	0	114.6	A1103 L1106 I1141 A1142 R1147 D1148 L1152 A1176	A1103-L1145 HydrophobicContact CB-CB 4.13Å; L1106-L1145 HydrophobicContact CB-CD1 3.7Å; L1106-L1145 HydrophobicContact CD1-CD1 4.42Å; I1141-L1145 HydrophobicContact CG2-CD1 3.86Å; I1141-L1145 HydrophobicContact CG2-CG 4.27Å; I1141-L1145 WeakPolarHBondContact O-CB 3.42Å; I1141-L1145 WeakPolarHBondContact O-CG 3.33Å; I1141-L1145 PolarHBondContact O-N 2.88Å; A1142-L1145 PolarHBondContact O-N 3.35Å; L1145-R1147 PolarHBondContact O-N 3.07Å; L1145-D1148 PolarHBondContact O-N 2.91Å; L1145-L1152 HydrophobicContact CD2-CD1 4.44Å; L1145-A1176 HydrophobicContact CD1-CB 4.09Å; L1145-A1176 HydrophobicContact CD2-CB 3.8Å; L1145-A1176 HydrophobicContact CG-CB 4.22Å
1146	V	92.9	Very high	92	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.8	-177.5	75.2	0	0	0	0	112.8	I1087 V1088 L1091 V1095 K1099 V1100 A1103 A1142 D1148	I1087-V1146 HydrophobicContact CG2-CB 4.07Å; I1087-V1146 HydrophobicContact CG2-CG1 4.05Å; I1087-V1146 HydrophobicContact CG2-CG2 4.4Å; I1087-V1146 VanDerWaalsContact O-CG1 3.23Å; I1087-V1146 WeakPolarHBondContact O-CG1 3.3Å; V1088-V1146 HydrophobicContact CG1-CG2 4.5Å; L1091-V1146 HydrophobicContact CD1-CG1 3.92Å; V1095-V1146 HydrophobicContact CG1-CG2 3.94Å; K1099-V1146 WeakPolarHBondContact CE-O 3.44Å; K1099-V1146 HydrophobicContact CG-CG2 4.27Å; K1099-V1146 PolarHBondContact NZ-O 3.44Å; V1100-V1146 HydrophobicContact CG2-CG2 4.44Å; A1103-V1146 HydrophobicContact CB-CB 3.9Å; A1103-V1146 HydrophobicContact CB-CG2 4.38Å; A1142-V1146 PolarHBondContact O-N 3.46Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å
1147	R	88.1	Confident	91.6	Very high	24 Å²	24	12.9 Å²	12.9	9%	0.091	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.5	177.2	-57	-176	159.9	-139.7	-15.7	114.2	F263 Y1089 L1091 A1144 L1145	F263-R1147 PolarHBondContact O-NH2 3.21Å; Y1089-R1147 PolarHBondContact O-NH2 2.97Å; L1091-R1147 HydrophobicContact CD1-CG 4.33Å; L1091-R1147 HydrophobicContact CD2-CG 4.11Å; L1091-R1147 HydrophobicContact CG-CG 4.43Å; A1144-R1147 WeakPolarHBondContact O-CB 3.23Å; L1145-R1147 PolarHBondContact O-N 3.07Å
1148	D	88	Confident	91.1	Very high	70 Å²	70	13 Å²	13	37%	0.374	6%	0.063	S	C	.	.			trans	48.4	60.6	-163.6	-172.2	44.8	0	0	0	112.8	L1145 V1146 K1150 R1180	L1145-D1148 PolarHBondContact O-N 2.91Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å; D1148-K1150 IonicContact OD2-NZ 2.87Å; D1148-K1150 PolarHBondContact OD2-NZ 3.48Å; D1148-R1180 IonicContact OD1-NE 3.96Å; D1148-R1180 IonicContact OD1-NH2 3.18Å; D1148-R1180 PolarHBondContact OD1-NH2 2.71Å
1149	P	89.9	Confident	90	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.			trans	-67	143.4	-175.6	30.1	-34.9	0	0	0	110.6	A1144 L1152 R1180	A1144-P1149 VanDerWaalsContact O-CD 3.26Å; A1144-P1149 WeakPolarHBondContact O-CD 3.48Å; A1144-P1149 WeakPolarHBondContact O-CG 3.37Å; P1149-L1152 HydrophobicContact CG-CD1 4.38Å; P1149-L1152 HydrophobicContact CG-CD2 4.07Å; P1149-L1152 HydrophobicContact CG-CG 3.9Å; P1149-R1180 VanDerWaalsContact O-CD 3.26Å; P1149-R1180 WeakPolarHBondContact O-CD 3.49Å; P1149-R1180 PolarHBondContact O-NE 3.07Å
1150	K	87.7	Confident	88.8	Confident	67 Å²	67	16.6 Å²	16.6	29%	0.291	10%	0.098	S	C	.	.	S	Bend	trans	-82.9	-24.4	172.5	-58.2	-44.5	-177.6	-160	0	111.7	R989 S1068 D1148 T1181	R989-K1150 HydrophobicContact CG-CB 3.96Å; S1068-K1150 PolarHBondContact O-N 2.99Å; D1148-K1150 IonicContact OD2-NZ 2.87Å; D1148-K1150 PolarHBondContact OD2-NZ 3.48Å; K1150-T1181 PolarHBondContact O-N 3.33Å
1151	I	91.5	Very high	88	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.6	175	-54.9	-167.3	0	0	0	109.6	F991 Y1052 S1068 I1069 G1070 M1153 T1181	F991-I1151 HydrophobicContact CD2-CD1 3.67Å; F991-I1151 HydrophobicContact CE2-CD1 3.35Å; F991-I1151 HydrophobicContact CE2-CG2 4.44Å; F991-I1151 HydrophobicContact CZ-CD1 4.35Å; Y1052-I1151 HydrophobicContact CD2-CD1 4.39Å; Y1052-I1151 HydrophobicContact CE2-CD1 3.5Å; Y1052-I1151 VanDerWaalsContact CE2-CD1 3.5Å; S1068-I1151 PolarHBondContact O-N 3.22Å; I1069-I1151 CarbonylContact C-O 3.5Å; I1069-I1151 WeakPolarHBondContact CA-O 3.46Å; I1069-I1151 HydrophobicContact CG1-CB 4.31Å; G1070-I1151 PolarHBondContact N-O 3.39Å; I1151-M1153 HydrophobicContact CG2-CE 4Å; I1151-M1153 HydrophobicContact CG2-CG 4.28Å; I1151-T1181 CarbonylContact C-O 3.51Å; I1151-T1181 VanDerWaalsContact CA-O 3.24Å; I1151-T1181 WeakPolarHBondContact CA-O 3.47Å; I1151-T1181 HydrophobicContact CG1-CG2 4.4Å; I1151-T1181 HydrophobicContact CG2-CG2 4.48Å
1152	L	93.2	Very high	87.2	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135	170.8	-86.5	153	0	0	0	110.1	G1070 A1144 L1145 P1149 F1154 A1176 R1180 T1181 S1182 I1183	G1070-L1152 CarbonylContact O-C 3.57Å; G1070-L1152 WeakPolarHBondContact O-CA 3.48Å; A1144-L1152 HydrophobicContact CB-CD2 4.03Å; L1145-L1152 HydrophobicContact CD2-CD1 4.44Å; P1149-L1152 HydrophobicContact CG-CD1 4.38Å; P1149-L1152 HydrophobicContact CG-CD2 4.07Å; P1149-L1152 HydrophobicContact CG-CG 3.9Å; L1152-F1154 HydrophobicContact CB-CE2 3.78Å; L1152-F1154 HydrophobicContact CB-CZ 4.25Å; L1152-F1154 HydrophobicContact CD1-CZ 4.5Å; L1152-F1154 HydrophobicContact CD2-CE2 4.36Å; L1152-F1154 HydrophobicContact CD2-CZ 3.98Å; L1152-F1154 HydrophobicContact CG-CE2 4.48Å; L1152-F1154 HydrophobicContact CG-CZ 4.48Å; L1152-A1176 HydrophobicContact CD1-CB 4.28Å; L1152-A1176 WeakPolarHBondContact CD1-O 3.38Å; L1152-R1180 HydrophobicContact CD1-CB 4.22Å; L1152-R1180 HydrophobicContact CD1-CG 4.4Å; L1152-T1181 PolarHBondContact N-O 2.92Å; L1152-S1182 CarbonylContact O-C 3.56Å; L1152-S1182 VanDerWaalsContact O-CA 3.32Å; L1152-S1182 WeakPolarHBondContact O-CA 3.35Å; L1152-I1183 PolarHBondContact O-N 2.97Å
1153	M	94.4	Very high	86.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.4	175.9	-61.8	-177.5	-175	0	0	108.7	F991 I1036 L1039 Q1040 I1069 G1070 L1071 V1072 I1151 I1183	F991-M1153 HydrophobicContact CE2-CE 3.8Å; F991-M1153 HydrophobicContact CZ-CE 4.35Å; I1036-M1153 HydrophobicContact CD1-CB 4.23Å; I1036-M1153 HydrophobicContact CG1-CB 4.45Å; I1036-M1153 HydrophobicContact CG1-SD 4.43Å; I1036-M1153 HydrophobicContact CG2-SD 4.15Å; L1039-M1153 HydrophobicContact CB-CE 3.8Å; L1039-M1153 HydrophobicContact CB-SD 4.44Å; L1039-M1153 HydrophobicContact CD1-CE 4.05Å; Q1040-M1153 HydrophobicContact CG-SD 4.34Å; I1069-M1153 HydrophobicContact CD1-CE 4.05Å; I1069-M1153 HydrophobicContact CG1-CE 4.39Å; I1069-M1153 HydrophobicContact CG2-CE 3.91Å; I1069-M1153 HydrophobicContact CG2-CG 4.13Å; I1069-M1153 HydrophobicContact CG2-SD 3.89Å; G1070-M1153 PolarHBondContact O-N 3.14Å; L1071-M1153 CarbonylContact C-O 3.51Å; L1071-M1153 HydrophobicContact CD1-CB 3.99Å; V1072-M1153 PolarHBondContact N-O 3.4Å; I1151-M1153 HydrophobicContact CG2-CE 4Å; I1151-M1153 HydrophobicContact CG2-CG 4.28Å; M1153-I1183 CarbonylContact C-O 3.51Å; M1153-I1183 WeakPolarHBondContact CA-O 3.33Å; M1153-I1183 HydrophobicContact CE-CD1 4.08Å; M1153-I1183 HydrophobicContact CG-CB 4.33Å; M1153-I1183 HydrophobicContact CG-CD1 4.31Å
1154	F	93.3	Very high	85.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.4	175.8	-60.1	-85.8	0	0	0	108.2	V1072 L1152 A1157 V1173 A1176 Q1177 I1183 L1184 I1185	V1072-F1154 HydrophobicContact CB-CD1 3.75Å; V1072-F1154 HydrophobicContact CB-CE1 4.19Å; V1072-F1154 HydrophobicContact CG1-CD1 4.2Å; V1072-F1154 HydrophobicContact CG2-CD1 3.95Å; V1072-F1154 HydrophobicContact CG2-CE1 3.86Å; L1152-F1154 HydrophobicContact CB-CE2 3.78Å; L1152-F1154 HydrophobicContact CB-CZ 4.25Å; L1152-F1154 HydrophobicContact CD1-CZ 4.5Å; L1152-F1154 HydrophobicContact CD2-CE2 4.36Å; L1152-F1154 HydrophobicContact CD2-CZ 3.98Å; L1152-F1154 HydrophobicContact CG-CE2 4.48Å; L1152-F1154 HydrophobicContact CG-CZ 4.48Å; F1154-A1157 HydrophobicContact CB-CB 4.37Å; F1154-A1157 HydrophobicContact CD1-CB 4.3Å; F1154-V1173 HydrophobicContact CD1-CG1 4.08Å; F1154-V1173 HydrophobicContact CD1-CG2 3.97Å; F1154-V1173 HydrophobicContact CD2-CG1 4.22Å; F1154-V1173 HydrophobicContact CE1-CB 4.27Å; F1154-V1173 HydrophobicContact CE1-CG1 3.93Å; F1154-V1173 HydrophobicContact CE1-CG2 3.81Å; F1154-V1173 HydrophobicContact CE2-CG1 4.06Å; F1154-V1173 HydrophobicContact CG-CG1 4.23Å; F1154-V1173 HydrophobicContact CZ-CB 4.5Å; F1154-V1173 HydrophobicContact CZ-CG1 3.91Å; F1154-A1176 HydrophobicContact CZ-CB 4.1Å; F1154-Q1177 HydrophobicContact CE2-CG 3.72Å; F1154-Q1177 HydrophobicContact CZ-CG 4.35Å; F1154-I1183 PolarHBondContact N-O 3.31Å; F1154-L1184 HydrophobicContact CB-CD1 3.63Å; F1154-L1184 HydrophobicContact CD2-CD1 4.5Å; F1154-L1184 HydrophobicContact CG-CD1 4.28Å; F1154-I1185 PolarHBondContact O-N 3.43Å
1155	D	91.1	Very high	84.7	Confident	23 Å²	23	34.7 Å²	34.7	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	93.2	177	-163.4	8.2	0	0	0	108.5	S1033 I1036 V1072 S1073 Q1074 A1157	S1033-D1155 WeakPolarHBondContact CB-OD1 3.37Å; S1033-D1155 WeakPolarHBondContact CB-OD2 3.42Å; S1033-D1155 PolarHBondContact OG-OD1 2.98Å; I1036-D1155 HydrophobicContact CD1-CB 3.59Å; V1072-D1155 PolarHBondContact O-N 3.22Å; S1073-D1155 CarbonylContact C-O 3.6Å; Q1074-D1155 WeakPolarHBondContact CA-O 3.36Å; Q1074-D1155 WeakPolarHBondContact CB-O 3.44Å; Q1074-D1155 PolarHBondContact N-O 3.42Å; D1155-A1157 VanDerWaalsContact C-N 3.32Å; D1155-A1157 PolarHBondContact O-N 3.43Å
1156	E	86.3	Confident	84.1	Confident	21 Å²	21	35 Å²	35	10%	0.098	20%	0.195	C	C	.	.	S	Bend	trans	50.3	45.4	178.5	-58.9	-167.4	176.1	0	0	114.6	Q1074 T1158 S1159 I1185	Q1074-E1156 HydrophobicContact CB-CB 4.29Å; Q1074-E1156 HydrophobicContact CG-CB 4.17Å; Q1074-E1156 PolarHBondContact NE2-OE2 3.15Å; E1156-T1158 PolarHBondContact O-N 3.21Å; E1156-S1159 WeakPolarHBondContact CB-OG 3.35Å; E1156-S1159 PolarHBondContact O-N 3.09Å; E1156-S1159 PolarHBondContact O-OG 3.38Å; E1156-S1159 PolarHBondContact OE2-OG 2.88Å; E1156-I1185 VanDerWaalsContact CA-O 3.3Å; E1156-I1185 WeakPolarHBondContact CA-O 3.15Å; E1156-I1185 HydrophobicContact CG-CG2 3.81Å; E1156-I1185 PolarHBondContact N-O 3.48Å
1157	A	82.2	Confident	83.6	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.041	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.4	-172	0	0	0	0	0	115.8	V1072 Q1137 F1154 D1155	V1072-A1157 HydrophobicContact CG1-CB 4.08Å; Q1137-A1157 VanDerWaalsContact CD-O 3.31Å; Q1137-A1157 HydrophobicContact CG-CB 4.46Å; Q1137-A1157 VanDerWaalsContact CG-O 3.32Å; Q1137-A1157 WeakPolarHBondContact CG-O 3.32Å; Q1137-A1157 VanDerWaalsContact NE2-CA 3.28Å; Q1137-A1157 PolarHBondContact NE2-O 2.92Å; F1154-A1157 HydrophobicContact CB-CB 4.37Å; F1154-A1157 HydrophobicContact CD1-CB 4.3Å; D1155-A1157 VanDerWaalsContact C-N 3.32Å; D1155-A1157 PolarHBondContact O-N 3.43Å
1158	T	82.8	Confident	83.6	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.043	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-1.1	-177.7	55.7	0	0	0	0	114.1	E1156 A1160 E1166 V1169	E1156-T1158 PolarHBondContact O-N 3.21Å; T1158-A1160 PolarHBondContact O-N 2.93Å; T1158-A1160 VanDerWaalsContact O-N 3.14Å; T1158-E1166 HydrophobicContact CG2-CG 4.41Å; T1158-V1169 HydrophobicContact CG2-CG1 4.27Å
1159	S	69.5	Low	83.5	Confident	40 Å²	40	37.1 Å²	37.1	28%	0.28	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.6	-166.9	62.9	0	0	0	0	115.7	Q1074 E1156	Q1074-S1159 WeakPolarHBondContact CG-OG 3.48Å; Q1074-S1159 PolarHBondContact NE2-OG 3.18Å; E1156-S1159 WeakPolarHBondContact CB-OG 3.35Å; E1156-S1159 PolarHBondContact O-N 3.09Å; E1156-S1159 PolarHBondContact O-OG 3.38Å; E1156-S1159 PolarHBondContact OE2-OG 2.88Å
1160	A	69.2	Low	83.3	Confident	72 Å²	72	38.3 Å²	38.3	60%	0.595	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.3	28	-179.3	0	0	0	0	0	113.7	T1158	T1158-A1160 PolarHBondContact O-N 2.93Å; T1158-A1160 VanDerWaalsContact O-N 3.14Å
1161	L	77.4	Confident	83.3	Confident	19 Å²	19	38 Å²	38	10%	0.099	22%	0.221	C	C	.	.			trans	-110	147.5	-176.3	-60	-178.5	0	0	0	112.2	E1166 V1169	L1161-E1166 HydrophobicContact CB-CB 4.15Å; L1161-V1169 HydrophobicContact CD1-CB 3.78Å; L1161-V1169 HydrophobicContact CD1-CG1 3.91Å; L1161-V1169 HydrophobicContact CD1-CG2 3.68Å
1162	D	76.6	Confident	83.2	Confident	82 Å²	82	38 Å²	38	44%	0.439	22%	0.221	S	C	.	.			trans	-67.5	155.8	163.1	60.6	-75.1	0	0	0	110.6	E1164 S1165 E1166	D1162-E1164 VanDerWaalsContact C-N 3.25Å; D1162-E1164 PolarHBondContact O-N 3.41Å; D1162-S1165 VanDerWaalsContact CG-OG 3.31Å; D1162-S1165 PolarHBondContact O-N 3.38Å; D1162-S1165 WeakPolarHBondContact OD1-CB 3.38Å; D1162-S1165 PolarHBondContact OD1-OG 3.33Å; D1162-S1165 WeakPolarHBondContact OD2-CB 3.39Å; D1162-S1165 PolarHBondContact OD2-N 3.42Å; D1162-S1165 PolarHBondContact OD2-OG 3.33Å; D1162-E1166 VanDerWaalsContact O-CB 3.29Å; D1162-E1166 WeakPolarHBondContact O-CB 3.49Å; D1162-E1166 PolarHBondContact O-N 3.43Å
1163	T	74.3	Confident	83	Confident	109 Å²	109	38 Å²	38	67%	0.669	22%	0.221	S	C	*	.	H	α-helix	trans	-57.3	-36	-172.6	-36.7	0	0	0	0	113.1	T1167	T1163-T1167 PolarHBondContact O-N 3.23Å
1164	E	75.5	Confident	82.6	Confident	159 Å²	159	41.9 Å²	41.9	74%	0.743	24%	0.239	S	C	*	.	H	α-helix	trans	-71.4	-51.6	178.3	-166.8	-177.5	171.2	0	0	110.8	D1162 E1166 T1167 V1168	D1162-E1164 VanDerWaalsContact C-N 3.25Å; D1162-E1164 PolarHBondContact O-N 3.41Å; E1164-E1166 PolarHBondContact O-N 3.33Å; E1164-T1167 PolarHBondContact O-N 3.18Å; E1164-T1167 PolarHBondContact O-OG1 2.97Å; E1164-V1168 PolarHBondContact O-N 2.91Å
1165	S	81.1	Confident	82.3	Confident	19 Å²	19	46.1 Å²	46.1	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-34.3	174.9	-67.9	0	0	0	0	113.2	D1162 V1168 V1169	D1162-S1165 VanDerWaalsContact CG-OG 3.31Å; D1162-S1165 PolarHBondContact O-N 3.38Å; D1162-S1165 WeakPolarHBondContact OD1-CB 3.38Å; D1162-S1165 PolarHBondContact OD1-OG 3.33Å; D1162-S1165 WeakPolarHBondContact OD2-CB 3.39Å; D1162-S1165 PolarHBondContact OD2-N 3.42Å; D1162-S1165 PolarHBondContact OD2-OG 3.33Å; S1165-V1168 PolarHBondContact O-N 3.04Å; S1165-V1169 WeakPolarHBondContact O-CB 3.35Å; S1165-V1169 VanDerWaalsContact O-CG2 3.25Å; S1165-V1169 WeakPolarHBondContact O-CG2 3.39Å; S1165-V1169 PolarHBondContact O-N 3.41Å
1166	E	81.7	Confident	82.2	Confident	16 Å²	16	45.1 Å²	45.1	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-49.9	-180	-179.2	-178.4	-173.2	0	0	111.7	T1158 L1161 D1162 E1164 V1168 V1169 Q1170 R1188	T1158-E1166 HydrophobicContact CG2-CG 4.41Å; L1161-E1166 HydrophobicContact CB-CB 4.15Å; D1162-E1166 VanDerWaalsContact O-CB 3.29Å; D1162-E1166 WeakPolarHBondContact O-CB 3.49Å; D1162-E1166 PolarHBondContact O-N 3.43Å; E1164-E1166 PolarHBondContact O-N 3.33Å; E1166-V1168 VanDerWaalsContact C-N 3.3Å; E1166-V1168 PolarHBondContact O-N 3.23Å; E1166-V1169 PolarHBondContact O-N 2.96Å; E1166-Q1170 VanDerWaalsContact O-CB 3.31Å; E1166-Q1170 WeakPolarHBondContact O-CB 3.22Å; E1166-Q1170 PolarHBondContact O-N 2.62Å; E1166-R1188 WeakPolarHBondContact OE1-CD 3.44Å; E1166-R1188 IonicContact OE1-CZ 3.34Å; E1166-R1188 IonicContact OE1-NE 3.76Å; E1166-R1188 IonicContact OE1-NH1 3.21Å; E1166-R1188 PolarHBondContact OE1-NH1 3.45Å; E1166-R1188 IonicContact OE2-CZ 2.69Å; E1166-R1188 IonicContact OE2-NH1 2.65Å; E1166-R1188 PolarHBondContact OE2-NH1 3.44Å; E1166-R1188 IonicContact OE2-NH2 3.32Å
1167	T	82.9	Confident	82.4	Confident	89 Å²	89	45.4 Å²	45.4	55%	0.546	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-42.8	179.5	57.7	0	0	0	0	111.9	T1163 E1164 Q1170 D1171	T1163-T1167 PolarHBondContact O-N 3.23Å; E1164-T1167 PolarHBondContact O-N 3.18Å; E1164-T1167 PolarHBondContact O-OG1 2.97Å; T1167-Q1170 PolarHBondContact O-N 3.46Å; T1167-D1171 PolarHBondContact O-N 2.84Å
1168	V	86.7	Confident	82.5	Confident	50 Å²	50	48.4 Å²	48.4	30%	0.303	28%	0.278	S	S	.	.	H	α-helix	trans	-68.3	-36.9	179.9	-176.7	0	0	0	0	111.9	N1108 E1164 S1165 E1166 A1172	N1108-V1168 HydrophobicContact CB-CG1 4.16Å; N1108-V1168 PolarHBondContact ND2-O 2.94Å; E1164-V1168 PolarHBondContact O-N 2.91Å; S1165-V1168 PolarHBondContact O-N 3.04Å; E1166-V1168 VanDerWaalsContact C-N 3.3Å; E1166-V1168 PolarHBondContact O-N 3.23Å; V1168-A1172 PolarHBondContact O-N 2.8Å
1169	V	87.2	Confident	82.5	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-71.2	-40.4	175.3	168.2	0	0	0	0	110.9	Q1137 R1138 I1141 T1158 L1161 S1165 E1166 A1172 V1173	Q1137-V1169 HydrophobicContact CB-CG1 4.3Å; Q1137-V1169 HydrophobicContact CB-CG2 4.07Å; Q1137-V1169 HydrophobicContact CG-CG1 3.82Å; Q1137-V1169 HydrophobicContact CG-CG2 4.49Å; R1138-V1169 HydrophobicContact CG-CG2 3.91Å; I1141-V1169 HydrophobicContact CD1-CG1 4.2Å; T1158-V1169 HydrophobicContact CG2-CG1 4.27Å; L1161-V1169 HydrophobicContact CD1-CB 3.78Å; L1161-V1169 HydrophobicContact CD1-CG1 3.91Å; L1161-V1169 HydrophobicContact CD1-CG2 3.68Å; S1165-V1169 WeakPolarHBondContact O-CB 3.35Å; S1165-V1169 VanDerWaalsContact O-CG2 3.25Å; S1165-V1169 WeakPolarHBondContact O-CG2 3.39Å; S1165-V1169 PolarHBondContact O-N 3.41Å; E1166-V1169 PolarHBondContact O-N 2.96Å; V1169-A1172 CarbonylContact O-C 3.52Å; V1169-A1172 WeakPolarHBondContact O-CB 3.35Å; V1169-A1172 PolarHBondContact O-N 3.07Å; V1169-A1172 VanDerWaalsContact O-N 3.16Å; V1169-V1173 HydrophobicContact CG1-CG2 4.34Å; V1169-V1173 WeakPolarHBondContact O-CG2 3.48Å; V1169-V1173 PolarHBondContact O-N 3.06Å
1170	Q	85.5	Confident	83.5	Confident	25 Å²	25	51.3 Å²	51.3	12%	0.117	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-46.1	179.2	-176.4	61.5	19.6	0	0	111.4	E1166 T1167 A1172 V1173 E1174 T1191	E1166-Q1170 VanDerWaalsContact O-CB 3.31Å; E1166-Q1170 WeakPolarHBondContact O-CB 3.22Å; E1166-Q1170 PolarHBondContact O-N 2.62Å; T1167-Q1170 PolarHBondContact O-N 3.46Å; Q1170-A1172 VanDerWaalsContact C-N 3.27Å; Q1170-A1172 PolarHBondContact O-N 3.43Å; Q1170-V1173 WeakPolarHBondContact O-CB 3.42Å; Q1170-V1173 PolarHBondContact O-N 3.45Å; Q1170-E1174 PolarHBondContact NE2-OE1 3.19Å; Q1170-E1174 PolarHBondContact O-N 3.13Å; Q1170-T1191 VanDerWaalsContact CD-CG2 3.48Å; Q1170-T1191 HydrophobicContact CG-CG2 4.42Å
1171	D	87.2	Confident	84.7	Confident	61 Å²	61	47.9 Å²	47.9	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-39.6	173.5	174	52.1	0	0	0	111.7	N1108 T1167 E1174 K1175	N1108-D1171 PolarHBondContact ND2-OD2 3.01Å; T1167-D1171 PolarHBondContact O-N 2.84Å; D1171-E1174 PolarHBondContact O-N 3.39Å; D1171-K1175 WeakPolarHBondContact O-CB 3.43Å; D1171-K1175 WeakPolarHBondContact O-CG 3.45Å; D1171-K1175 PolarHBondContact O-N 3.19Å; D1171-K1175 VanDerWaalsContact OD1-CE 3.23Å; D1171-K1175 WeakPolarHBondContact OD1-CE 3.27Å; D1171-K1175 IonicContact OD1-NZ 3.77Å; D1171-K1175 PolarHBondContact OD1-NZ 3.48Å; D1171-K1175 WeakPolarHBondContact OD2-CE 3.38Å; D1171-K1175 IonicContact OD2-NZ 3.85Å; D1171-K1175 PolarHBondContact OD2-NZ 3.4Å
1172	A	89.1	Confident	85.4	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-36.1	174.5	0	0	0	0	0	112.9	N1108 I1141 V1168 V1169 Q1170 A1176	N1108-A1172 HydrophobicContact CB-CB 4.46Å; I1141-A1172 HydrophobicContact CD1-CB 4.06Å; V1168-A1172 PolarHBondContact O-N 2.8Å; V1169-A1172 CarbonylContact O-C 3.52Å; V1169-A1172 WeakPolarHBondContact O-CB 3.35Å; V1169-A1172 PolarHBondContact O-N 3.07Å; V1169-A1172 VanDerWaalsContact O-N 3.16Å; Q1170-A1172 VanDerWaalsContact C-N 3.27Å; Q1170-A1172 PolarHBondContact O-N 3.43Å; A1172-A1176 VanDerWaalsContact O-CB 3.27Å; A1172-A1176 WeakPolarHBondContact O-CB 3.45Å; A1172-A1176 PolarHBondContact O-N 2.98Å
1173	V	88.3	Confident	86.2	Confident	1 Å²	1	43 Å²	43	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-46.9	175.2	169.8	0	0	0	0	110.4	I1141 F1154 V1169 Q1170 A1176 Q1177	I1141-V1173 HydrophobicContact CD1-CG2 3.92Å; F1154-V1173 HydrophobicContact CD1-CG1 4.08Å; F1154-V1173 HydrophobicContact CD1-CG2 3.97Å; F1154-V1173 HydrophobicContact CD2-CG1 4.22Å; F1154-V1173 HydrophobicContact CE1-CB 4.27Å; F1154-V1173 HydrophobicContact CE1-CG1 3.93Å; F1154-V1173 HydrophobicContact CE1-CG2 3.81Å; F1154-V1173 HydrophobicContact CE2-CG1 4.06Å; F1154-V1173 HydrophobicContact CG-CG1 4.23Å; F1154-V1173 HydrophobicContact CZ-CB 4.5Å; F1154-V1173 HydrophobicContact CZ-CG1 3.91Å; V1169-V1173 HydrophobicContact CG1-CG2 4.34Å; V1169-V1173 WeakPolarHBondContact O-CG2 3.48Å; V1169-V1173 PolarHBondContact O-N 3.06Å; Q1170-V1173 WeakPolarHBondContact O-CB 3.42Å; Q1170-V1173 PolarHBondContact O-N 3.45Å; V1173-A1176 WeakPolarHBondContact O-CB 3.32Å; V1173-A1176 PolarHBondContact O-N 3.27Å; V1173-A1176 VanDerWaalsContact O-N 3.14Å; V1173-Q1177 HydrophobicContact CG1-CG 4.4Å; V1173-Q1177 VanDerWaalsContact O-CG 3.28Å; V1173-Q1177 WeakPolarHBondContact O-CG 3.44Å; V1173-Q1177 PolarHBondContact O-N 3.2Å
1174	E	87.1	Confident	87.1	Confident	81 Å²	81	38.2 Å²	38.2	38%	0.379	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-46.2	179.7	-71.1	177.4	-172.5	0	0	111.8	Q1170 D1171 A1176 Q1177 A1178	Q1170-E1174 PolarHBondContact NE2-OE1 3.19Å; Q1170-E1174 PolarHBondContact O-N 3.13Å; D1171-E1174 PolarHBondContact O-N 3.39Å; E1174-A1176 VanDerWaalsContact C-N 3.25Å; E1174-A1176 PolarHBondContact O-N 3.34Å; E1174-Q1177 PolarHBondContact O-N 3.09Å; E1174-A1178 PolarHBondContact O-N 2.93Å
1175	K	87.8	Confident	87.9	Confident	90 Å²	90	30.7 Å²	30.7	39%	0.391	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-37.1	172.9	-74.6	169.3	177	162.8	0	112.4	N1108 D1171	N1108-K1175 PolarHBondContact OD1-NZ 3.33Å; D1171-K1175 WeakPolarHBondContact O-CB 3.43Å; D1171-K1175 WeakPolarHBondContact O-CG 3.45Å; D1171-K1175 PolarHBondContact O-N 3.19Å; D1171-K1175 VanDerWaalsContact OD1-CE 3.23Å; D1171-K1175 WeakPolarHBondContact OD1-CE 3.27Å; D1171-K1175 IonicContact OD1-NZ 3.77Å; D1171-K1175 PolarHBondContact OD1-NZ 3.48Å; D1171-K1175 WeakPolarHBondContact OD2-CE 3.38Å; D1171-K1175 IonicContact OD2-NZ 3.85Å; D1171-K1175 PolarHBondContact OD2-NZ 3.4Å
1176	A	88.9	Confident	87.9	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-37.2	178.5	0	0	0	0	0	112.8	I1141 L1145 L1152 F1154 A1172 V1173 E1174 A1178 R1180	I1141-A1176 HydrophobicContact CG2-CB 4.24Å; L1145-A1176 HydrophobicContact CD1-CB 4.09Å; L1145-A1176 HydrophobicContact CD2-CB 3.8Å; L1145-A1176 HydrophobicContact CG-CB 4.22Å; L1152-A1176 HydrophobicContact CD1-CB 4.28Å; L1152-A1176 WeakPolarHBondContact CD1-O 3.38Å; F1154-A1176 HydrophobicContact CZ-CB 4.1Å; A1172-A1176 VanDerWaalsContact O-CB 3.27Å; A1172-A1176 WeakPolarHBondContact O-CB 3.45Å; A1172-A1176 PolarHBondContact O-N 2.98Å; V1173-A1176 WeakPolarHBondContact O-CB 3.32Å; V1173-A1176 PolarHBondContact O-N 3.27Å; V1173-A1176 VanDerWaalsContact O-N 3.14Å; E1174-A1176 VanDerWaalsContact C-N 3.25Å; E1174-A1176 PolarHBondContact O-N 3.34Å; A1176-A1178 VanDerWaalsContact C-N 3.32Å; A1176-A1178 PolarHBondContact O-N 3.46Å; A1176-R1180 PolarHBondContact O-NH1 3.07Å
1177	Q	88.7	Confident	87.6	Confident	27 Å²	27	33.2 Å²	33.2	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-26.7	-177.4	-72.2	177	-2	0	0	113.7	F1154 V1173 E1174 G1179 R1180 S1182	F1154-Q1177 HydrophobicContact CE2-CG 3.72Å; F1154-Q1177 HydrophobicContact CZ-CG 4.35Å; V1173-Q1177 HydrophobicContact CG1-CG 4.4Å; V1173-Q1177 VanDerWaalsContact O-CG 3.28Å; V1173-Q1177 WeakPolarHBondContact O-CG 3.44Å; V1173-Q1177 PolarHBondContact O-N 3.2Å; E1174-Q1177 PolarHBondContact O-N 3.09Å; Q1177-G1179 PolarHBondContact O-N 3.39Å; Q1177-R1180 PolarHBondContact O-N 2.9Å; Q1177-R1180 VanDerWaalsContact O-N 3.08Å; Q1177-S1182 WeakPolarHBondContact CG-OG 3.4Å
1178	A	85.3	Confident	86.9	Confident	68 Å²	68	33.6 Å²	33.6	56%	0.562	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	122.3	-176.6	0	0	0	0	0	112.5	E1174 A1176 R1180	E1174-A1178 PolarHBondContact O-N 2.93Å; A1176-A1178 VanDerWaalsContact C-N 3.32Å; A1176-A1178 PolarHBondContact O-N 3.46Å; A1178-R1180 VanDerWaalsContact C-N 3.34Å; A1178-R1180 PolarHBondContact O-N 3.45Å; A1178-R1180 PolarHBondContact O-NH1 3.42Å
1179	G	83.6	Confident	86.3	Confident	62 Å²	62	31.2 Å²	31.2	64%	0.639	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	12.5	177.6	0	0	0	0	0	115.9	Q1177	Q1177-G1179 PolarHBondContact O-N 3.39Å
1180	R	89.9	Confident	85.7	Confident	46 Å²	46	33.7 Å²	33.7	17%	0.174	19%	0.187	C	C	.	.	S	Bend	trans	-128.8	148.8	-177	-63.7	176.9	179.7	89.8	7.5	111.8	D1148 P1149 L1152 A1176 Q1177 A1178 S1182	D1148-R1180 IonicContact OD1-NE 3.96Å; D1148-R1180 IonicContact OD1-NH2 3.18Å; D1148-R1180 PolarHBondContact OD1-NH2 2.71Å; P1149-R1180 VanDerWaalsContact O-CD 3.26Å; P1149-R1180 WeakPolarHBondContact O-CD 3.49Å; P1149-R1180 PolarHBondContact O-NE 3.07Å; L1152-R1180 HydrophobicContact CD1-CB 4.22Å; L1152-R1180 HydrophobicContact CD1-CG 4.4Å; A1176-R1180 PolarHBondContact O-NH1 3.07Å; Q1177-R1180 PolarHBondContact O-N 2.9Å; Q1177-R1180 VanDerWaalsContact O-N 3.08Å; A1178-R1180 VanDerWaalsContact C-N 3.34Å; A1178-R1180 PolarHBondContact O-N 3.45Å; A1178-R1180 PolarHBondContact O-NH1 3.42Å; R1180-S1182 PolarHBondContact O-N 3.32Å; R1180-S1182 PolarHBondContact O-OG 2.99Å
1181	T	93.2	Very high	85.2	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.1	167.1	-54.8	0	0	0	0	108	R989 V1016 F1017 A1018 N1019 K1150 I1151 L1152	R989-T1181 PolarHBondContact O-OG1 3.08Å; V1016-T1181 HydrophobicContact CG1-CG2 3.65Å; F1017-T1181 WeakPolarHBondContact O-CG2 3.44Å; A1018-T1181 WeakPolarHBondContact CA-OG1 3.47Å; N1019-T1181 PolarHBondContact N-OG1 2.89Å; K1150-T1181 PolarHBondContact O-N 3.33Å; I1151-T1181 CarbonylContact C-O 3.51Å; I1151-T1181 VanDerWaalsContact CA-O 3.24Å; I1151-T1181 WeakPolarHBondContact CA-O 3.47Å; I1151-T1181 HydrophobicContact CG1-CG2 4.4Å; I1151-T1181 HydrophobicContact CG2-CG2 4.48Å; L1152-T1181 PolarHBondContact N-O 2.92Å
1182	S	93.3	Very high	85.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	-173.1	-61.4	0	0	0	0	110.9	K1020 T1021 L1022 L1152 Q1177 R1180	K1020-S1182 PolarHBondContact O-N 3.4Å; T1021-S1182 CarbonylContact C-O 3.52Å; T1021-S1182 VanDerWaalsContact CA-O 3.31Å; T1021-S1182 WeakPolarHBondContact CA-O 3.32Å; L1022-S1182 PolarHBondContact N-O 3.38Å; L1152-S1182 CarbonylContact O-C 3.56Å; L1152-S1182 VanDerWaalsContact O-CA 3.32Å; L1152-S1182 WeakPolarHBondContact O-CA 3.35Å; Q1177-S1182 WeakPolarHBondContact CG-OG 3.4Å; R1180-S1182 PolarHBondContact O-N 3.32Å; R1180-S1182 PolarHBondContact O-OG 2.99Å
1183	I	94.1	Very high	84.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.2	172.3	-53.9	177.3	0	0	0	107	V1016 L1022 I1024 L1039 L1152 M1153 F1154	V1016-I1183 HydrophobicContact CG1-CD1 4.03Å; V1016-I1183 HydrophobicContact CG1-CG1 3.87Å; V1016-I1183 HydrophobicContact CG2-CD1 3.94Å; V1016-I1183 HydrophobicContact CG2-CG1 4.43Å; L1022-I1183 CarbonylContact O-C 3.59Å; L1022-I1183 WeakPolarHBondContact O-CA 3.28Å; I1024-I1183 HydrophobicContact CD1-CG2 3.85Å; I1024-I1183 HydrophobicContact CG1-CG2 4.5Å; L1039-I1183 HydrophobicContact CD1-CD1 3.4Å; L1039-I1183 VanDerWaalsContact CD1-CD1 3.4Å; L1152-I1183 PolarHBondContact O-N 2.97Å; M1153-I1183 CarbonylContact C-O 3.51Å; M1153-I1183 WeakPolarHBondContact CA-O 3.33Å; M1153-I1183 HydrophobicContact CE-CD1 4.08Å; M1153-I1183 HydrophobicContact CG-CB 4.33Å; M1153-I1183 HydrophobicContact CG-CD1 4.31Å; F1154-I1183 PolarHBondContact N-O 3.31Å
1184	L	92.9	Very high	84.5	Confident	8 Å²	8	39 Å²	39	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.2	-178.3	177.8	64.4	0	0	0	109.2	L1022 A1023 I1024 F1154 A1186 T1191 V1192	L1022-L1184 PolarHBondContact O-N 3.33Å; A1023-L1184 CarbonylContact C-O 3.55Å; A1023-L1184 VanDerWaalsContact CA-O 3.3Å; A1023-L1184 WeakPolarHBondContact CA-O 3.49Å; I1024-L1184 PolarHBondContact N-O 3.49Å; F1154-L1184 HydrophobicContact CB-CD1 3.63Å; F1154-L1184 HydrophobicContact CD2-CD1 4.5Å; F1154-L1184 HydrophobicContact CG-CD1 4.28Å; L1184-A1186 HydrophobicContact CG-CB 4.42Å; L1184-T1191 VanDerWaalsContact CD2-O 3.26Å; L1184-T1191 WeakPolarHBondContact CD2-O 3.32Å; L1184-V1192 HydrophobicContact CD2-CG1 3.8Å; L1184-V1192 HydrophobicContact CG-CG1 4.24Å
1185	I	91.4	Very high	84.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.1	165.6	-57.6	-177.7	0	0	0	107	I1024 K1032 I1036 F1154 E1156	I1024-I1185 HydrophobicContact CB-CG1 4.27Å; I1024-I1185 HydrophobicContact CD1-CG1 4.49Å; K1032-I1185 VanDerWaalsContact C-CD1 3.41Å; K1032-I1185 HydrophobicContact CB-CD1 4.1Å; K1032-I1185 HydrophobicContact CB-CG2 3.69Å; K1032-I1185 HydrophobicContact CD-CG2 4.07Å; K1032-I1185 HydrophobicContact CG-CG2 4.49Å; K1032-I1185 WeakPolarHBondContact O-CD1 3.36Å; I1036-I1185 HydrophobicContact CD1-CD1 3.4Å; I1036-I1185 VanDerWaalsContact CD1-CD1 3.4Å; I1036-I1185 HydrophobicContact CD1-CG1 3.9Å; I1036-I1185 HydrophobicContact CG1-CD1 3.73Å; I1036-I1185 HydrophobicContact CG1-CG1 4.45Å; F1154-I1185 PolarHBondContact O-N 3.43Å; E1156-I1185 VanDerWaalsContact CA-O 3.3Å; E1156-I1185 WeakPolarHBondContact CA-O 3.15Å; E1156-I1185 HydrophobicContact CG-CG2 3.81Å; E1156-I1185 PolarHBondContact N-O 3.48Å
1186	A	80.9	Confident	84.7	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.025	20%	0.203	C	C	.	.			trans	-130.1	136.6	-179.4	0	0	0	0	0	111.1	I1024 L1184 T1191 V1192	I1024-A1186 PolarHBondContact O-N 3.28Å; L1184-A1186 HydrophobicContact CG-CB 4.42Å; A1186-T1191 WeakPolarHBondContact CB-OG1 3.36Å; A1186-V1192 HydrophobicContact CB-CG1 3.65Å
1187	H	74.8	Confident	84.9	Confident	85 Å²	85	40.4 Å²	40.4	39%	0.394	22%	0.219	S	C	.	.	S	Bend	trans	-85.8	-30.5	164.7	-168.2	-84.5	0	0	0	111.3	Q1229	H1187-Q1229 PolarHBondContact O-NE2 3.14Å
1188	R	69.7	Low	85.1	Confident	97 Å²	97	39.1 Å²	39.1	37%	0.366	21%	0.213	S	C	.	.	S	Bend	trans	-96.5	119.4	179.5	-66.6	-172.9	174.3	-148.4	5.7	111	E1166 S1190 T1191	E1166-R1188 WeakPolarHBondContact OE1-CD 3.44Å; E1166-R1188 IonicContact OE1-CZ 3.34Å; E1166-R1188 IonicContact OE1-NE 3.76Å; E1166-R1188 IonicContact OE1-NH1 3.21Å; E1166-R1188 PolarHBondContact OE1-NH1 3.45Å; E1166-R1188 IonicContact OE2-CZ 2.69Å; E1166-R1188 IonicContact OE2-NH1 2.65Å; E1166-R1188 PolarHBondContact OE2-NH1 3.44Å; E1166-R1188 IonicContact OE2-NH2 3.32Å; R1188-S1190 VanDerWaalsContact C-N 3.29Å; R1188-S1190 PolarHBondContact O-N 3.1Å; R1188-T1191 PolarHBondContact O-N 3.36Å; R1188-T1191 PolarHBondContact O-OG1 3.45Å
1189	L	74.5	Confident	85.4	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-73.4	-18.8	-169.9	-67.9	160.8	0	0	0	113.8	V1025 T1191 V1192 Y1222 M1225 I1226 Q1229 L1231	V1025-L1189 HydrophobicContact CB-CD2 4.35Å; V1025-L1189 HydrophobicContact CG1-CD2 3.99Å; L1189-T1191 PolarHBondContact O-N 3.23Å; L1189-V1192 HydrophobicContact CB-CG2 4.39Å; L1189-V1192 HydrophobicContact CD2-CG2 4.1Å; L1189-V1192 WeakPolarHBondContact O-CG2 3.48Å; L1189-V1192 PolarHBondContact O-N 2.95Å; L1189-Y1222 HydrophobicContact CD2-CD2 4.28Å; L1189-Y1222 HydrophobicContact CD2-CE2 3.67Å; L1189-M1225 HydrophobicContact CD1-CB 3.73Å; L1189-M1225 WeakPolarHBondContact CD1-O 3.45Å; L1189-M1225 HydrophobicContact CD2-CE 4.36Å; L1189-I1226 HydrophobicContact CB-CG1 4.41Å; L1189-I1226 HydrophobicContact CD1-CB 4.47Å; L1189-I1226 HydrophobicContact CD1-CG1 3.96Å; L1189-Q1229 VanDerWaalsContact CB-OE1 3.3Å; L1189-Q1229 HydrophobicContact CD1-CB 4.2Å; L1189-Q1229 VanDerWaalsContact CD1-CD 3.48Å; L1189-Q1229 HydrophobicContact CD1-CG 3.95Å; L1189-Q1229 VanDerWaalsContact CG-OE1 3.23Å; L1189-L1231 HydrophobicContact CB-CD1 3.49Å; L1189-L1231 VanDerWaalsContact CB-CD1 3.49Å
1190	S	73.8	Confident	85.8	Confident	52 Å²	52	33.1 Å²	33.1	36%	0.364	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-56.4	-37.7	172.9	51.1	0	0	0	0	111.9	R1188 V1192	R1188-S1190 VanDerWaalsContact C-N 3.29Å; R1188-S1190 PolarHBondContact O-N 3.1Å; S1190-V1192 VanDerWaalsContact C-N 3.28Å; S1190-V1192 PolarHBondContact O-N 3.18Å
1191	T	75.2	Confident	85.8	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.067	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-74.6	-13.7	-175.6	65.7	0	0	0	0	114.6	Q1170 L1184 A1186 R1188 L1189	Q1170-T1191 VanDerWaalsContact CD-CG2 3.48Å; Q1170-T1191 HydrophobicContact CG-CG2 4.42Å; L1184-T1191 VanDerWaalsContact CD2-O 3.26Å; L1184-T1191 WeakPolarHBondContact CD2-O 3.32Å; A1186-T1191 WeakPolarHBondContact CB-OG1 3.36Å; R1188-T1191 PolarHBondContact O-N 3.36Å; R1188-T1191 PolarHBondContact O-OG1 3.45Å; L1189-T1191 PolarHBondContact O-N 3.23Å
1192	V	83.8	Confident	85.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-107.7	-4.5	-175.5	-76.7	0	0	0	0	113.8	A1023 V1025 L1184 A1186 L1189 S1190 N1194 A1195 I1198	A1023-V1192 HydrophobicContact CB-CB 3.75Å; A1023-V1192 HydrophobicContact CB-CG1 3.33Å; V1025-V1192 HydrophobicContact CG1-CG1 4.19Å; V1025-V1192 HydrophobicContact CG1-CG2 3.95Å; L1184-V1192 HydrophobicContact CD2-CG1 3.8Å; L1184-V1192 HydrophobicContact CG-CG1 4.24Å; A1186-V1192 HydrophobicContact CB-CG1 3.65Å; L1189-V1192 HydrophobicContact CB-CG2 4.39Å; L1189-V1192 HydrophobicContact CD2-CG2 4.1Å; L1189-V1192 WeakPolarHBondContact O-CG2 3.48Å; L1189-V1192 PolarHBondContact O-N 2.95Å; S1190-V1192 VanDerWaalsContact C-N 3.28Å; S1190-V1192 PolarHBondContact O-N 3.18Å; V1192-N1194 VanDerWaalsContact C-N 3.26Å; V1192-N1194 PolarHBondContact O-N 2.9Å; V1192-A1195 VanDerWaalsContact O-CB 3.24Å; V1192-A1195 WeakPolarHBondContact O-CB 3.42Å; V1192-A1195 PolarHBondContact O-N 3.33Å; V1192-A1195 VanDerWaalsContact O-N 3.08Å; V1192-I1198 WeakPolarHBondContact O-CD1 3.4Å
1193	Q	82.8	Confident	84.9	Confident	69 Å²	69	42.3 Å²	42.3	32%	0.322	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.6	179.2	-65.7	-174.2	-12.5	0	0	112.4	A1195	Q1193-A1195 VanDerWaalsContact C-N 3.25Å; Q1193-A1195 PolarHBondContact O-N 2.94Å
1194	N	82.6	Confident	84.4	Confident	117 Å²	117	42.5 Å²	42.5	63%	0.626	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	5.9	-178.8	-63.2	-28.5	0	0	0	113.6	V1192	V1192-N1194 VanDerWaalsContact C-N 3.26Å; V1192-N1194 PolarHBondContact O-N 2.9Å
1195	A	87.8	Confident	84.1	Confident	9 Å²	9	45 Å²	45	7%	0.074	22%	0.221	C	C	.	.			trans	-74.7	140.1	179.4	0	0	0	0	0	111.7	T1021 A1023 V1192 Q1193 W1197 I1198	T1021-A1195 HydrophobicContact CG2-CB 4.19Å; A1023-A1195 HydrophobicContact CB-CB 3.56Å; V1192-A1195 VanDerWaalsContact O-CB 3.24Å; V1192-A1195 WeakPolarHBondContact O-CB 3.42Å; V1192-A1195 PolarHBondContact O-N 3.33Å; V1192-A1195 VanDerWaalsContact O-N 3.08Å; Q1193-A1195 VanDerWaalsContact C-N 3.25Å; Q1193-A1195 PolarHBondContact O-N 2.94Å; A1195-W1197 VanDerWaalsContact C-N 3.27Å; A1195-W1197 PolarHBondContact O-N 3.48Å; A1195-I1198 HydrophobicContact CB-CG1 4.17Å
1196	H	91.4	Very high	84.1	Confident	102 Å²	102	47.7 Å²	47.7	47%	0.472	23%	0.234	S	C	.	.	S	Bend	trans	-67.2	-30.5	178.6	-65.2	87.5	0	0	0	112.5	K1020 T1021	K1020-H1196 HydrophobicContact CB-CB 4.12Å; K1020-H1196 HydrophobicContact CD-CB 4.44Å; K1020-H1196 HydrophobicContact CG-CB 4.46Å; T1021-H1196 PolarHBondContact N-ND1 2.95Å; T1021-H1196 PolarHBondContact O-N 3.43Å; T1021-H1196 VanDerWaalsContact O-N 3.12Å
1197	W	92.9	Very high	84.5	Confident	92 Å²	92	51 Å²	51	35%	0.348	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	135.3	178.4	-158.3	-106.5	0	0	0	109.8	T1021 L1022 A1023 A1195 A1209 T1211	T1021-W1197 PolarHBondContact O-N 3.43Å; T1021-W1197 VanDerWaalsContact O-N 3.12Å; L1022-W1197 CarbonylContact C-O 3.55Å; L1022-W1197 WeakPolarHBondContact CA-O 3.27Å; L1022-W1197 HydrophobicContact CD1-CB 4.29Å; L1022-W1197 HydrophobicContact CD1-CG 4.48Å; A1023-W1197 PolarHBondContact N-O 3.06Å; A1195-W1197 VanDerWaalsContact C-N 3.27Å; A1195-W1197 PolarHBondContact O-N 3.48Å; W1197-A1209 HydrophobicContact CZ2-CB 4.28Å; W1197-T1211 HydrophobicContact CE3-CG2 4.46Å; W1197-T1211 HydrophobicContact CZ3-CG2 4.47Å
1198	I	93.1	Very high	85.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.8	179.8	-51.9	-176.7	0	0	0	108.3	A1023 V1025 V1192 A1195 A1209 G1210 H1212 L1215 Y1222	A1023-I1198 HydrophobicContact CB-CB 4.33Å; A1023-I1198 HydrophobicContact CB-CG1 4.03Å; A1023-I1198 HydrophobicContact CB-CG2 4.24Å; A1023-I1198 CarbonylContact O-C 3.55Å; A1023-I1198 WeakPolarHBondContact O-CA 3.28Å; V1025-I1198 HydrophobicContact CG2-CG2 3.92Å; V1192-I1198 WeakPolarHBondContact O-CD1 3.4Å; A1195-I1198 HydrophobicContact CB-CG1 4.17Å; I1198-A1209 WeakPolarHBondContact O-CA 3.29Å; I1198-G1210 PolarHBondContact N-O 3.1Å; I1198-G1210 PolarHBondContact O-N 3.32Å; I1198-H1212 HydrophobicContact CD1-CB 3.9Å; I1198-L1215 HydrophobicContact CB-CD1 3.65Å; I1198-L1215 HydrophobicContact CG2-CD1 3.78Å; I1198-Y1222 HydrophobicContact CD1-CE1 4.2Å; I1198-Y1222 HydrophobicContact CD1-CE2 4.19Å; I1198-Y1222 VanDerWaalsContact CD1-OH 3.25Å; I1198-Y1222 WeakPolarHBondContact CD1-OH 3.35Å; I1198-Y1222 HydrophobicContact CG2-CD2 4.2Å; I1198-Y1222 HydrophobicContact CG2-CE2 3.82Å
1199	V	92.8	Very high	86.3	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	176.1	163.6	0	0	0	0	109	L1014 L1022 A1023 I1024 V1025 M1201 I1206 A1209	L1014-V1199 HydrophobicContact CD1-CB 4.43Å; L1014-V1199 HydrophobicContact CD1-CG1 4.2Å; L1014-V1199 HydrophobicContact CD1-CG2 3.87Å; L1022-V1199 HydrophobicContact CD1-CB 4.26Å; L1022-V1199 HydrophobicContact CD1-CG2 3.71Å; A1023-V1199 PolarHBondContact O-N 3.11Å; I1024-V1199 WeakPolarHBondContact CA-O 3.46Å; V1025-V1199 PolarHBondContact N-O 2.99Å; V1199-M1201 HydrophobicContact CG1-CG 4.24Å; V1199-I1206 HydrophobicContact CG1-CB 4.24Å; V1199-I1206 HydrophobicContact CG1-CD1 3.57Å; V1199-I1206 HydrophobicContact CG1-CG1 3.54Å; V1199-I1206 HydrophobicContact CG1-CG2 3.78Å; V1199-A1209 HydrophobicContact CG2-CB 4.14Å
1200	V	91.4	Very high	87.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.2	-176.6	-173.7	0	0	0	0	108.6	V1025 I1206 V1207 E1208 L1215 F1221 Y1222	V1025-V1200 HydrophobicContact CG2-CB 4.34Å; V1025-V1200 HydrophobicContact CG2-CG1 4.47Å; V1025-V1200 HydrophobicContact CG2-CG2 3.89Å; V1025-V1200 CarbonylContact O-C 3.56Å; V1025-V1200 WeakPolarHBondContact O-CA 3.36Å; V1200-I1206 WeakPolarHBondContact O-CA 3.31Å; V1200-V1207 PolarHBondContact O-N 3.08Å; V1200-E1208 HydrophobicContact CB-CB 4.02Å; V1200-E1208 HydrophobicContact CG2-CB 3.95Å; V1200-E1208 PolarHBondContact N-O 3.25Å; V1200-L1215 HydrophobicContact CG2-CD1 4.11Å; V1200-F1221 HydrophobicContact CG1-CB 4.38Å; V1200-F1221 HydrophobicContact CG1-CD1 3.51Å; V1200-F1221 HydrophobicContact CG1-CE1 4.29Å; V1200-F1221 HydrophobicContact CG1-CG 4.36Å; V1200-Y1222 HydrophobicContact CG2-CD2 3.97Å; V1200-Y1222 HydrophobicContact CG2-CG 4.2Å
1201	M	89.3	Confident	88	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.9	-177.6	-63.6	-168.6	73.7	0	0	112	F1009 L1012 I1024 V1025 G1026 P1027 I1035 V1199 S1205	F1009-M1201 HydrophobicContact CD1-CE 4.29Å; F1009-M1201 HydrophobicContact CE1-CE 3.5Å; F1009-M1201 HydrophobicContact CZ-CE 4.22Å; L1012-M1201 HydrophobicContact CD1-CE 3.92Å; L1012-M1201 HydrophobicContact CD2-CE 4.34Å; I1024-M1201 HydrophobicContact CG2-CG 3.99Å; I1024-M1201 HydrophobicContact CG2-SD 3.62Å; V1025-M1201 PolarHBondContact O-N 2.93Å; G1026-M1201 WeakPolarHBondContact CA-O 3.24Å; P1027-M1201 VanDerWaalsContact CD-O 3.29Å; P1027-M1201 WeakPolarHBondContact CD-O 3.49Å; I1035-M1201 HydrophobicContact CD1-CE 3.9Å; I1035-M1201 HydrophobicContact CD1-SD 3.35Å; I1035-M1201 WeakPolarHBondContact CD1-SD 3.44Å; I1035-M1201 HydrophobicContact CG1-SD 4.48Å; V1199-M1201 HydrophobicContact CG1-CG 4.24Å; M1201-S1205 VanDerWaalsContact CA-O 3.28Å; M1201-S1205 WeakPolarHBondContact CA-O 3.4Å
1202	K	85.8	Confident	88.7	Confident	84 Å²	84	46.5 Å²	46.5	37%	0.365	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.7	168.7	-168.1	-178.7	174.3	-173.1	0	108.6	G1204 S1205 V1207 F1221	K1202-G1204 PolarHBondContact O-N 2.95Å; K1202-S1205 PolarHBondContact N-O 3.48Å; K1202-S1205 PolarHBondContact O-N 3.09Å; K1202-S1205 PolarHBondContact O-OG 3.44Å; K1202-V1207 HydrophobicContact CB-CG2 3.55Å; K1202-F1221 HydrophobicContact CD-CE2 4.05Å; K1202-F1221 HydrophobicContact CD-CZ 4.34Å
1203	E	82.9	Confident	88.9	Confident	156 Å²	156	50.3 Å²	50.3	73%	0.729	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	38.4	176	-67.5	164.6	-144.2	0	0	114.1	S1205	E1203-S1205 VanDerWaalsContact C-N 3.34Å; E1203-S1205 PolarHBondContact O-N 2.83Å
1204	G	82.7	Confident	89.3	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	10.2	177.8	0	0	0	0	0	116.1	I1008 F1009 C1030 K1202	I1008-G1204 WeakPolarHBondContact O-CA 3.39Å; F1009-G1204 WeakPolarHBondContact CD1-O 3.44Å; C1030-G1204 PolarHBondContact O-N 2.94Å; K1202-G1204 PolarHBondContact O-N 2.95Å
1205	S	87	Confident	89.6	Confident	61 Å²	61	46.3 Å²	46.3	43%	0.427	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	157.2	177.8	69.1	0	0	0	0	111.8	M1201 K1202 E1203	M1201-S1205 VanDerWaalsContact CA-O 3.28Å; M1201-S1205 WeakPolarHBondContact CA-O 3.4Å; K1202-S1205 PolarHBondContact N-O 3.48Å; K1202-S1205 PolarHBondContact O-N 3.09Å; K1202-S1205 PolarHBondContact O-OG 3.44Å; E1203-S1205 VanDerWaalsContact C-N 3.34Å; E1203-S1205 PolarHBondContact O-N 2.83Å
1206	I	90.3	Very high	89.5	Confident	56 Å²	56	47.5 Å²	47.5	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.3	172.8	-61.6	174.8	0	0	0	107.9	L1012 N1013 L1014 V1199 V1200 A1209	L1012-I1206 HydrophobicContact CD1-CD1 4.05Å; L1012-I1206 HydrophobicContact CD1-CG1 3.67Å; N1013-I1206 WeakPolarHBondContact O-CD1 3.31Å; L1014-I1206 HydrophobicContact CB-CD1 4.35Å; L1014-I1206 HydrophobicContact CD1-CD1 3.81Å; V1199-I1206 HydrophobicContact CG1-CB 4.24Å; V1199-I1206 HydrophobicContact CG1-CD1 3.57Å; V1199-I1206 HydrophobicContact CG1-CG1 3.54Å; V1199-I1206 HydrophobicContact CG1-CG2 3.78Å; V1200-I1206 WeakPolarHBondContact O-CA 3.31Å; I1206-A1209 HydrophobicContact CG2-CB 4.43Å
1207	V	90.2	Very high	89.2	Confident	72 Å²	72	47.3 Å²	47.3	44%	0.436	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-39.7	-179.1	-170.4	0	0	0	0	110.7	V1200 K1202	V1200-V1207 PolarHBondContact O-N 3.08Å; K1202-V1207 HydrophobicContact CB-CG2 3.55Å
1208	E	91.2	Very high	89	Confident	20 Å²	20	49.3 Å²	49.3	9%	0.093	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.3	-178	-62.8	171	-168.2	0	0	110.7	V1200 L1215 G1220 F1221 Y1222	V1200-E1208 HydrophobicContact CB-CB 4.02Å; V1200-E1208 HydrophobicContact CG2-CB 3.95Å; V1200-E1208 PolarHBondContact N-O 3.25Å; E1208-L1215 HydrophobicContact CB-CD2 3.79Å; E1208-G1220 WeakPolarHBondContact OE1-CA 3.45Å; E1208-F1221 PolarHBondContact OE1-N 2.98Å; E1208-F1221 PolarHBondContact OE2-N 3.36Å; E1208-Y1222 PolarHBondContact OE2-N 3.36Å
1209	A	91.4	Very high	88.4	Confident	47 Å²	47	51.3 Å²	51.3	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141	173.4	0	0	0	0	0	110.3	W1197 I1198 V1199 I1206	W1197-A1209 HydrophobicContact CZ2-CB 4.28Å; I1198-A1209 WeakPolarHBondContact O-CA 3.29Å; V1199-A1209 HydrophobicContact CG2-CB 4.14Å; I1206-A1209 HydrophobicContact CG2-CB 4.43Å
1210	G	91.9	Very high	88.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-176.9	-178.8	0	0	0	0	0	112.5	I1198	I1198-G1210 PolarHBondContact N-O 3.1Å; I1198-G1210 PolarHBondContact O-N 3.32Å
1211	T	91.6	Very high	87.8	Confident	39 Å²	39	54.6 Å²	54.6	24%	0.239	31%	0.313	C	S	.	.			trans	-73.1	162.6	167	65.5	0	0	0	0	110.7	W1197 S1213 Q1214 L1215	W1197-T1211 HydrophobicContact CE3-CG2 4.46Å; W1197-T1211 HydrophobicContact CZ3-CG2 4.47Å; T1211-S1213 VanDerWaalsContact C-N 3.3Å; T1211-S1213 PolarHBondContact O-N 3.36Å; T1211-S1213 PolarHBondContact OG1-OG 3.16Å; T1211-S1213 VanDerWaalsContact OG1-OG 3.06Å; T1211-Q1214 PolarHBondContact O-N 3.38Å; T1211-Q1214 VanDerWaalsContact O-N 3.11Å; T1211-Q1214 WeakPolarHBondContact OG1-CB 3.44Å; T1211-Q1214 WeakPolarHBondContact OG1-CG 3.34Å; T1211-Q1214 PolarHBondContact OG1-N 3.06Å; T1211-L1215 WeakPolarHBondContact O-CG 3.49Å; T1211-L1215 PolarHBondContact O-N 3.2Å
1212	H	89.2	Confident	87.7	Confident	46 Å²	46	54.6 Å²	54.6	21%	0.213	31%	0.313	C	S	.	.	H	α-helix	trans	-50.1	-50.9	175.1	178.5	71.6	0	0	0	112	I1198 Q1214 L1215 V1216 Y1222 I1226	I1198-H1212 HydrophobicContact CD1-CB 3.9Å; H1212-Q1214 PolarHBondContact O-N 2.66Å; H1212-L1215 PolarHBondContact O-N 3.39Å; H1212-V1216 WeakPolarHBondContact O-CB 3.44Å; H1212-V1216 VanDerWaalsContact O-CG2 3.26Å; H1212-V1216 WeakPolarHBondContact O-CG2 3.44Å; H1212-V1216 PolarHBondContact O-N 3.12Å; H1212-Y1222 AromaticContact ND1-CE1 3.6Å; H1212-Y1222 AromaticContact ND1-CZ 3.75Å; H1212-Y1222 PolarHBondContact ND1-OH 3.25Å; H1212-I1226 VanDerWaalsContact CE1-CD1 3.45Å; H1212-I1226 WeakPolarHBondContact CE1-CD1 3.35Å
1213	S	88.1	Confident	87.6	Confident	81 Å²	81	54.1 Å²	54.1	57%	0.566	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-39.3	178	51.1	0	0	0	0	113.8	T1211 S1217	T1211-S1213 VanDerWaalsContact C-N 3.3Å; T1211-S1213 PolarHBondContact O-N 3.36Å; T1211-S1213 PolarHBondContact OG1-OG 3.16Å; T1211-S1213 VanDerWaalsContact OG1-OG 3.06Å; S1213-S1217 WeakPolarHBondContact O-CB 3.1Å; S1213-S1217 PolarHBondContact O-N 3.42Å; S1213-S1217 PolarHBondContact O-OG 3.17Å; S1213-S1217 VanDerWaalsContact O-OG 3.12Å
1214	Q	91.1	Very high	87.5	Confident	99 Å²	99	49.5 Å²	49.5	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-39.8	177.4	-75	171.4	-11.4	0	0	112.4	T1211 H1212 S1217 K1218	T1211-Q1214 PolarHBondContact O-N 3.38Å; T1211-Q1214 VanDerWaalsContact O-N 3.11Å; T1211-Q1214 WeakPolarHBondContact OG1-CB 3.44Å; T1211-Q1214 WeakPolarHBondContact OG1-CG 3.34Å; T1211-Q1214 PolarHBondContact OG1-N 3.06Å; H1212-Q1214 PolarHBondContact O-N 2.66Å; Q1214-S1217 PolarHBondContact O-OG 2.87Å; Q1214-K1218 WeakPolarHBondContact O-CB 3.33Å; Q1214-K1218 PolarHBondContact O-N 3.23Å
1215	L	88.6	Confident	87.4	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-76.2	-34.8	-178.9	-69	178.9	0	0	0	112.2	I1198 V1200 E1208 T1211 H1212 K1218 Y1222	I1198-L1215 HydrophobicContact CB-CD1 3.65Å; I1198-L1215 HydrophobicContact CG2-CD1 3.78Å; V1200-L1215 HydrophobicContact CG2-CD1 4.11Å; E1208-L1215 HydrophobicContact CB-CD2 3.79Å; T1211-L1215 WeakPolarHBondContact O-CG 3.49Å; T1211-L1215 PolarHBondContact O-N 3.2Å; H1212-L1215 PolarHBondContact O-N 3.39Å; L1215-K1218 PolarHBondContact O-N 3.17Å; L1215-Y1222 HydrophobicContact CB-CD1 3.25Å; L1215-Y1222 HydrophobicContact CB-CE1 3.89Å; L1215-Y1222 HydrophobicContact CB-CG 3.85Å; L1215-Y1222 HydrophobicContact CD1-CD1 3.92Å; L1215-Y1222 HydrophobicContact CD1-CD2 4.31Å; L1215-Y1222 HydrophobicContact CD1-CE1 4.29Å; L1215-Y1222 HydrophobicContact CD1-CG 3.89Å; L1215-Y1222 HydrophobicContact CG-CD1 4.24Å; L1215-Y1222 HydrophobicContact CG-CG 4.49Å
1216	V	86	Confident	87	Confident	34 Å²	34	47.9 Å²	47.9	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-47.1	171.6	170.6	0	0	0	0	110.2	H1212 K1218 G1219 Y1222 Y1223 I1226 L1232	H1212-V1216 WeakPolarHBondContact O-CB 3.44Å; H1212-V1216 VanDerWaalsContact O-CG2 3.26Å; H1212-V1216 WeakPolarHBondContact O-CG2 3.44Å; H1212-V1216 PolarHBondContact O-N 3.12Å; V1216-K1218 VanDerWaalsContact C-N 3.29Å; V1216-K1218 PolarHBondContact O-N 3.37Å; V1216-G1219 PolarHBondContact O-N 3.38Å; V1216-Y1222 HydrophobicContact CG2-CE1 4.24Å; V1216-Y1223 HydrophobicContact CG1-CD2 4.08Å; V1216-Y1223 HydrophobicContact CG1-CE2 4.4Å; V1216-Y1223 WeakPolarHBondContact O-CD2 3.16Å; V1216-I1226 HydrophobicContact CG2-CD1 3.57Å; V1216-L1232 HydrophobicContact CG1-CD2 4.29Å
1217	S	86.3	Confident	86.2	Confident	99 Å²	99	50.3 Å²	50.3	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-68.3	-26.8	179.7	67.3	0	0	0	0	113.7	S1213 Q1214 G1219	S1213-S1217 WeakPolarHBondContact O-CB 3.1Å; S1213-S1217 PolarHBondContact O-N 3.42Å; S1213-S1217 PolarHBondContact O-OG 3.17Å; S1213-S1217 VanDerWaalsContact O-OG 3.12Å; Q1214-S1217 PolarHBondContact O-OG 2.87Å; S1217-G1219 PolarHBondContact O-N 2.86Å
1218	K	87.4	Confident	85.2	Confident	133 Å²	133	50.7 Å²	50.7	58%	0.578	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.6	176.2	-163.1	178.6	-178.9	-169.9	0	113.1	Q1214 L1215 V1216 G1220	Q1214-K1218 WeakPolarHBondContact O-CB 3.33Å; Q1214-K1218 PolarHBondContact O-N 3.23Å; L1215-K1218 PolarHBondContact O-N 3.17Å; V1216-K1218 VanDerWaalsContact C-N 3.29Å; V1216-K1218 PolarHBondContact O-N 3.37Å; K1218-G1220 PolarHBondContact O-N 2.99Å
1219	G	81.9	Confident	84	Confident	43 Å²	43	53 Å²	53	44%	0.443	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	23.8	179.9	0	0	0	0	0	114.3	V1216 S1217	V1216-G1219 PolarHBondContact O-N 3.38Å; S1217-G1219 PolarHBondContact O-N 2.86Å
1220	G	86.1	Confident	82.5	Confident	14 Å²	14	54.8 Å²	54.8	14%	0.144	29%	0.292	C	S	.	.	S	Bend	trans	-87.1	-157.3	-174.3	0	0	0	0	0	115.2	E1208 K1218 Y1222 Y1223 N1224	E1208-G1220 WeakPolarHBondContact OE1-CA 3.45Å; K1218-G1220 PolarHBondContact O-N 2.99Å; G1220-Y1222 VanDerWaalsContact C-N 3.28Å; G1220-Y1222 PolarHBondContact O-N 3.45Å; G1220-Y1223 WeakPolarHBondContact O-CB 3.45Å; G1220-Y1223 PolarHBondContact O-N 3.26Å; G1220-Y1223 VanDerWaalsContact O-N 3.16Å; G1220-N1224 PolarHBondContact O-N 3.41Å
1221	F	84.6	Confident	80.6	Confident	58 Å²	58	57.3 Å²	57.3	25%	0.254	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-37.6	177.2	-166.1	-92.9	0	0	0	112.4	V1200 K1202 E1208 N1224 M1225	V1200-F1221 HydrophobicContact CG1-CB 4.38Å; V1200-F1221 HydrophobicContact CG1-CD1 3.51Å; V1200-F1221 HydrophobicContact CG1-CE1 4.29Å; V1200-F1221 HydrophobicContact CG1-CG 4.36Å; K1202-F1221 HydrophobicContact CD-CE2 4.05Å; K1202-F1221 HydrophobicContact CD-CZ 4.34Å; E1208-F1221 PolarHBondContact OE1-N 2.98Å; E1208-F1221 PolarHBondContact OE2-N 3.36Å; F1221-N1224 PolarHBondContact O-N 3.41Å; F1221-M1225 HydrophobicContact CD1-CG 4.09Å; F1221-M1225 HydrophobicContact CD1-SD 3.91Å; F1221-M1225 HydrophobicContact CE1-CG 3.92Å; F1221-M1225 HydrophobicContact CE1-SD 3.62Å; F1221-M1225 WeakPolarHBondContact O-CG 3.45Å; F1221-M1225 PolarHBondContact O-N 3.05Å
1222	Y	86.4	Confident	78.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-43.8	174.8	-175.6	-109.9	0	0	0	112.8	V1025 L1189 I1198 V1200 E1208 H1212 L1215 V1216 G1220 N1224 M1225 I1226	V1025-Y1222 HydrophobicContact CG2-CD2 3.85Å; V1025-Y1222 HydrophobicContact CG2-CE2 4.01Å; L1189-Y1222 HydrophobicContact CD2-CD2 4.28Å; L1189-Y1222 HydrophobicContact CD2-CE2 3.67Å; I1198-Y1222 HydrophobicContact CD1-CE1 4.2Å; I1198-Y1222 HydrophobicContact CD1-CE2 4.19Å; I1198-Y1222 VanDerWaalsContact CD1-OH 3.25Å; I1198-Y1222 WeakPolarHBondContact CD1-OH 3.35Å; I1198-Y1222 HydrophobicContact CG2-CD2 4.2Å; I1198-Y1222 HydrophobicContact CG2-CE2 3.82Å; V1200-Y1222 HydrophobicContact CG2-CD2 3.97Å; V1200-Y1222 HydrophobicContact CG2-CG 4.2Å; E1208-Y1222 PolarHBondContact OE2-N 3.36Å; H1212-Y1222 AromaticContact ND1-CE1 3.6Å; H1212-Y1222 AromaticContact ND1-CZ 3.75Å; H1212-Y1222 PolarHBondContact ND1-OH 3.25Å; L1215-Y1222 HydrophobicContact CB-CD1 3.25Å; L1215-Y1222 HydrophobicContact CB-CE1 3.89Å; L1215-Y1222 HydrophobicContact CB-CG 3.85Å; L1215-Y1222 HydrophobicContact CD1-CD1 3.92Å; L1215-Y1222 HydrophobicContact CD1-CD2 4.31Å; L1215-Y1222 HydrophobicContact CD1-CE1 4.29Å; L1215-Y1222 HydrophobicContact CD1-CG 3.89Å; L1215-Y1222 HydrophobicContact CG-CD1 4.24Å; L1215-Y1222 HydrophobicContact CG-CG 4.49Å; V1216-Y1222 HydrophobicContact CG2-CE1 4.24Å; G1220-Y1222 VanDerWaalsContact C-N 3.28Å; G1220-Y1222 PolarHBondContact O-N 3.45Å; Y1222-N1224 VanDerWaalsContact C-N 3.3Å; Y1222-N1224 PolarHBondContact O-N 2.98Å; Y1222-M1225 WeakPolarHBondContact O-CB 3.3Å; Y1222-M1225 PolarHBondContact O-N 3.39Å; Y1222-I1226 HydrophobicContact CD1-CD1 3.64Å; Y1222-I1226 HydrophobicContact CD1-CG1 4.37Å; Y1222-I1226 HydrophobicContact CE1-CD1 3.12Å; Y1222-I1226 HydrophobicContact CE1-CG1 4.07Å; Y1222-I1226 HydrophobicContact CE2-CD1 4.33Å; Y1222-I1226 HydrophobicContact CG-CD1 4.46Å; Y1222-I1226 PolarHBondContact O-N 3.4Å
1223	Y	84.8	Confident	75.9	Confident	73 Å²	73	65.3 Å²	65.3	29%	0.286	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-44	176.2	174.8	-98.2	0	0	0	110.6	V1216 G1220 M1225 I1226 R1227 L1232	V1216-Y1223 HydrophobicContact CG1-CD2 4.08Å; V1216-Y1223 HydrophobicContact CG1-CE2 4.4Å; V1216-Y1223 WeakPolarHBondContact O-CD2 3.16Å; G1220-Y1223 WeakPolarHBondContact O-CB 3.45Å; G1220-Y1223 PolarHBondContact O-N 3.26Å; G1220-Y1223 VanDerWaalsContact O-N 3.16Å; Y1223-M1225 PolarHBondContact O-N 3.36Å; Y1223-I1226 PolarHBondContact O-N 3.24Å; Y1223-R1227 WeakPolarHBondContact O-CB 3.26Å; Y1223-R1227 PolarHBondContact O-N 2.91Å; Y1223-L1232 HydrophobicContact CD2-CD1 4.06Å; Y1223-L1232 HydrophobicContact CE2-CD1 3.46Å; Y1223-L1232 VanDerWaalsContact CE2-CD1 3.46Å
1224	N	81.5	Confident	73.3	Confident	60 Å²	60	75.4 Å²	75.4	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-46.3	174.9	-70	-19.1	0	0	0	111.2	G1220 F1221 Y1222 I1226 R1227 M1228	G1220-N1224 PolarHBondContact O-N 3.41Å; F1221-N1224 PolarHBondContact O-N 3.41Å; Y1222-N1224 VanDerWaalsContact C-N 3.3Å; Y1222-N1224 PolarHBondContact O-N 2.98Å; N1224-I1226 VanDerWaalsContact C-N 3.32Å; N1224-I1226 PolarHBondContact O-N 3.19Å; N1224-R1227 CarbonylContact O-C 3.52Å; N1224-R1227 WeakPolarHBondContact O-CB 3.33Å; N1224-R1227 PolarHBondContact O-N 3.3Å; N1224-M1228 WeakPolarHBondContact O-CG 3.42Å; N1224-M1228 PolarHBondContact O-N 2.72Å
1225	M	79.7	Confident	72.4	Confident	29 Å²	29	74.2 Å²	74.2	14%	0.143	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-42	174.7	-76.2	-172.9	69.7	0	0	112.7	L1189 F1221 Y1222 Y1223 M1228 Q1229	L1189-M1225 HydrophobicContact CD1-CB 3.73Å; L1189-M1225 WeakPolarHBondContact CD1-O 3.45Å; L1189-M1225 HydrophobicContact CD2-CE 4.36Å; F1221-M1225 HydrophobicContact CD1-CG 4.09Å; F1221-M1225 HydrophobicContact CD1-SD 3.91Å; F1221-M1225 HydrophobicContact CE1-CG 3.92Å; F1221-M1225 HydrophobicContact CE1-SD 3.62Å; F1221-M1225 WeakPolarHBondContact O-CG 3.45Å; F1221-M1225 PolarHBondContact O-N 3.05Å; Y1222-M1225 WeakPolarHBondContact O-CB 3.3Å; Y1222-M1225 PolarHBondContact O-N 3.39Å; Y1223-M1225 PolarHBondContact O-N 3.36Å; M1225-M1228 WeakPolarHBondContact O-CB 3.19Å; M1225-M1228 PolarHBondContact O-N 3.42Å; M1225-Q1229 PolarHBondContact O-N 3.29Å
1226	I	77.7	Confident	71.5	Confident	1 Å²	1	78 Å²	78	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-45.6	176.7	-76.8	177.3	0	0	0	110.8	L1189 H1212 V1216 Y1222 Y1223 N1224 M1228 Q1229 N1230 L1231 L1232	L1189-I1226 HydrophobicContact CB-CG1 4.41Å; L1189-I1226 HydrophobicContact CD1-CB 4.47Å; L1189-I1226 HydrophobicContact CD1-CG1 3.96Å; H1212-I1226 VanDerWaalsContact CE1-CD1 3.45Å; H1212-I1226 WeakPolarHBondContact CE1-CD1 3.35Å; V1216-I1226 HydrophobicContact CG2-CD1 3.57Å; Y1222-I1226 HydrophobicContact CD1-CD1 3.64Å; Y1222-I1226 HydrophobicContact CD1-CG1 4.37Å; Y1222-I1226 HydrophobicContact CE1-CD1 3.12Å; Y1222-I1226 HydrophobicContact CE1-CG1 4.07Å; Y1222-I1226 HydrophobicContact CE2-CD1 4.33Å; Y1222-I1226 HydrophobicContact CG-CD1 4.46Å; Y1222-I1226 PolarHBondContact O-N 3.4Å; Y1223-I1226 PolarHBondContact O-N 3.24Å; N1224-I1226 VanDerWaalsContact C-N 3.32Å; N1224-I1226 PolarHBondContact O-N 3.19Å; I1226-M1228 PolarHBondContact O-N 3.43Å; I1226-Q1229 CarbonylContact O-C 3.56Å; I1226-Q1229 PolarHBondContact O-N 3.37Å; I1226-N1230 PolarHBondContact O-N 2.96Å; I1226-L1231 HydrophobicContact CG2-CB 3.99Å; I1226-L1231 PolarHBondContact O-N 2.97Å; I1226-L1232 HydrophobicContact CG2-CD1 3.66Å; I1226-L1232 HydrophobicContact CG2-CD2 4.34Å; I1226-L1232 HydrophobicContact CG2-CG 3.6Å
1227	R	74.4	Confident	70.7	Confident	106 Å²	106	80.4 Å²	80.4	40%	0.4	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-36.8	175.5	-157.5	-176.9	84.1	-175	5.5	110.2	N631 Y1223 N1224 Q1229 N1230	N631-R1227 PolarHBondContact O-NH2 3.22Å; Y1223-R1227 WeakPolarHBondContact O-CB 3.26Å; Y1223-R1227 PolarHBondContact O-N 2.91Å; N1224-R1227 CarbonylContact O-C 3.52Å; N1224-R1227 WeakPolarHBondContact O-CB 3.33Å; N1224-R1227 PolarHBondContact O-N 3.3Å; R1227-Q1229 PolarHBondContact O-N 3.13Å; R1227-N1230 PolarHBondContact O-N 3.35Å
1228	M	68.8	Low	69.8	Low	81 Å²	81	79.4 Å²	79.4	40%	0.399	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-24.8	176.4	-56.3	-144.6	-173.4	0	0	114.1	A632 I633 N1224 M1225 I1226	A632-M1228 HydrophobicContact CB-CB 3.7Å; A632-M1228 HydrophobicContact CB-CG 3.91Å; A632-M1228 HydrophobicContact CB-SD 4.42Å; A632-M1228 WeakPolarHBondContact O-CE 3.34Å; A632-M1228 WeakPolarHBondContact O-CG 3.5Å; I633-M1228 HydrophobicContact CG1-SD 4Å; N1224-M1228 WeakPolarHBondContact O-CG 3.42Å; N1224-M1228 PolarHBondContact O-N 2.72Å; M1225-M1228 WeakPolarHBondContact O-CB 3.19Å; M1225-M1228 PolarHBondContact O-N 3.42Å; I1226-M1228 PolarHBondContact O-N 3.43Å
1229	Q	66.7	Low	68.7	Low	69 Å²	69	76 Å²	76	32%	0.322	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	13.5	-177.4	-65.1	-171.9	0.3	0	0	113.2	H1187 L1189 M1225 I1226 R1227 L1231	H1187-Q1229 PolarHBondContact O-NE2 3.14Å; L1189-Q1229 VanDerWaalsContact CB-OE1 3.3Å; L1189-Q1229 HydrophobicContact CD1-CB 4.2Å; L1189-Q1229 VanDerWaalsContact CD1-CD 3.48Å; L1189-Q1229 HydrophobicContact CD1-CG 3.95Å; L1189-Q1229 VanDerWaalsContact CG-OE1 3.23Å; M1225-Q1229 PolarHBondContact O-N 3.29Å; I1226-Q1229 CarbonylContact O-C 3.56Å; I1226-Q1229 PolarHBondContact O-N 3.37Å; R1227-Q1229 PolarHBondContact O-N 3.13Å; Q1229-L1231 HydrophobicContact CB-CD1 4.37Å; Q1229-L1231 PolarHBondContact O-N 3.21Å
1230	N	59	Low	67.8	Low	83 Å²	83	78.2 Å²	78.2	44%	0.444	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.1	176.9	-78.7	-0.9	0	0	0	116.2	I628 I1226 R1227	I628-N1230 WeakPolarHBondContact CG2-ND2 3.45Å; I1226-N1230 PolarHBondContact O-N 2.96Å; R1227-N1230 PolarHBondContact O-N 3.35Å
1231	L	53.1	Low	66.5	Low	53 Å²	53	82.8 Å²	82.8	28%	0.277	37%	0.373	S	S	.	.			trans	-92	6.2	178.9	-77.2	160.5	0	0	0	114.5	L1189 I1226 Q1229	L1189-L1231 HydrophobicContact CB-CD1 3.49Å; L1189-L1231 VanDerWaalsContact CB-CD1 3.49Å; I1226-L1231 HydrophobicContact CG2-CB 3.99Å; I1226-L1231 PolarHBondContact O-N 2.97Å; Q1229-L1231 HydrophobicContact CB-CD1 4.37Å; Q1229-L1231 PolarHBondContact O-N 3.21Å
1232	L	44.4	Very low	65.1	Low	80 Å²	80	84.7 Å²	84.7	42%	0.419	38%	0.383	S	S	.	.	S	Bend	trans	-108.2	5.4	-176.1	-74.5	164.1	0	0	0	114.5	V1216 Y1223 I1226	V1216-L1232 HydrophobicContact CG1-CD2 4.29Å; Y1223-L1232 HydrophobicContact CD2-CD1 4.06Å; Y1223-L1232 HydrophobicContact CE2-CD1 3.46Å; Y1223-L1232 VanDerWaalsContact CE2-CD1 3.46Å; I1226-L1232 HydrophobicContact CG2-CD1 3.66Å; I1226-L1232 HydrophobicContact CG2-CD2 4.34Å; I1226-L1232 HydrophobicContact CG2-CG 3.6Å
1233	E	36.5	Very low	63.4	Low	173 Å²	173	91.8 Å²	91.8	81%	0.808	42%	0.415	S	S	*	.			trans	-103.4	27.3	177.1	-74.5	-168.3	157.9	0	0	114.2
1234	Y	34	Very low	61.4	Low	293 Å²	293	93.5 Å²	93.5	100%	1.149	43%	0.426	S	S	*	.			trans	-124.4	0	169.2	-89.9	-82.3	0	0	0	112.6

Retrieved 1,234 of 1,234 residues in 3042.3 ms (Link to these results)

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