A0A5K4F1Z4_SCHMA Loading...

Cohesin loading complex subunit SCC4 homolog

AlphaFold DB , UniProt , Accession A0A5K4F1Z4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,178 aa.

						>A0A5K4F1Z4_SCHMA|A0A5K4F1Z4
MRLQPALLLLLYWYAFRALENSMKSISVDSKTYDIYKSEYIDFQETVLSHLSFVRKTTSFLRQVAEHYTIPQKRILENEFVRHWNVSNLPWTYAKYLTTSINSILLRWHELVDECYLAVKAIIPLCTIRSNREFLCNDESIKNFSHNLIGKAKIFPLTGNVSVDTILIEIIILSNCKNHDRAIQKSHNIVKYFPSLPAYRLLYAETLSRNPSPDSLSQALKEITFAVHINGSSTLYRGKKLSLLLRLGYLKEAQEEAGKIEEILNRSSLGSCYLQRHNCSNGFKYSSQSVVAWRPWFYLGLFHLTNGDLSVAAEDFTIAFNLASITLSTKKQLSESIMGLLMYMKALSQHYTSKLQDAMEYSVSGTRDYPFIMDTTLLLAQGAARTSLYYNALNILSIALRLVNIVDDNNKPSSVEYIETFADIKLVKHQVLQLRALVNYRLGNIIQANTDAKSCLELSSLDGLCAYIKTLCALCTGSLMNAMKSSTPVLSYNFKQDLQNSSEIFHLKYLREWIRYTHNHLYQPLNEFHWLIDLPEMFVHGWVKGVPSETVESQITQPGIMSTTPNLVMSPDLIKIILNDNSSQFPNQSTNGIECNQKSFLLTSQPIYCQKIYLIQLKNYLCNVSNQIGVLISYGDLKNNQAINSIITNSRHQLALAIGIVYSAELIRNSWCRQRRVSFNTCWAYPQDSQYYQRKSFTKFPFLSKNYVDQLMNNCNSLFSPSSSSFNNYNKNTTSQPINYLLFKRLCKLIIQQTIEKSYSPDWFVHASITARLLQLTDPYEQLVFWKTYESNKYSVHEQHSLHSHNDEDDEDSNGPIPSYSYHSSSSYYGNKEKNYVGQQKNHWENGVVWDEKFFIKNGQIYHEYIKYLQHSINMILLLIKEQFQHHSEYLNVDENNFEANYLLMAYEFDQCYSDYDNRLLNQTVQHCLKPIFDKLWHYAQLAHLTDNKLQAFINIYVPGIMNPKDDGILLMPLSPQSRPIKLHLGVVLKFVKHLTDENYSLSLLYISNPQHHTELISELDSAFKNYLLHGEKALTDILASSSIKEKVFGSSSFIHKEHIQNAIQSAFDWLYYWSILKPISSEYSFVIGYSMTLGMLRALGLEPVTALLKHGIDLEMESIFIGSPTQFGNICREVLGLVELPKSSISLSWKVSPEEIIKSPKHVLEFLNLQLVSHCDK
					

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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	40.1	Very low	51.9	Low	223 Å²	223	132.3 Å²	132.3	100%	1.099	67%	0.671	S	S	*	*				0	35.8	0	-88.9	176.5	146	0	0	115
2	R	46.3	Very low	52	Low	238 Å²	238	134.8 Å²	134.8	90%	0.898	67%	0.668	S	S	*	*			trans	-132.4	3.3	156.3	-80.2	-169.5	179.2	175.6	0.3	114.2
3	L	40.6	Very low	52.4	Low	142 Å²	142	135.6 Å²	135.6	74%	0.743	66%	0.659	S	S	*	*	S	Bend	trans	-95.5	-13.1	179.3	-122.1	91.1	0	0	0	114.5	L7	L3-L7 PolarHBondContact O-N 2.9Å
4	Q	46.9	Very low	52.9	Low	141 Å²	141	138.5 Å²	138.5	66%	0.659	66%	0.661	S	S	*	*	H	α-helix	trans	-66.1	-36.5	177.9	-98.1	174.6	-38.4	0	0	114.4	L8	Q4-L8 PolarHBondContact O-N 2.73Å
5	P	49	Very low	52.6	Low	81 Å²	81	133.1 Å²	133.1	53%	0.526	65%	0.649	S	S	.	*	H	α-helix	trans	-67.4	-36	177	-18.7	30.6	0	0	0	112.8	L8 L9	P5-L8 PolarHBondContact O-N 3.14Å; P5-L9 WeakPolarHBondContact O-CB 3.35Å; P5-L9 PolarHBondContact O-N 3.23Å
6	A	55.3	Low	52.3	Low	51 Å²	51	132.2 Å²	132.2	42%	0.421	64%	0.641	S	S	.	*	H	α-helix	trans	-69.3	-37.6	-178.6	0	0	0	0	0	112.2	L9 L10	A6-L9 PolarHBondContact O-N 2.57Å; A6-L10 PolarHBondContact O-N 2.99Å
7	L	59.5	Low	51.8	Low	110 Å²	110	132.4 Å²	132.4	58%	0.576	63%	0.633	S	S	*	*	H	α-helix	trans	-71.9	-37.1	177.3	-147.2	108	0	0	0	111.8	L3 L10 L11	L3-L7 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L11 HydrophobicContact CD2-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.13Å; L7-L11 WeakPolarHBondContact O-CG 3.1Å; L7-L11 PolarHBondContact O-N 3.45Å
8	L	56.1	Low	51.7	Low	122 Å²	122	127.7 Å²	127.7	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-65.4	-39	171.7	-105.2	152.4	0	0	0	111.9	Q4 P5 L11 Y12	Q4-L8 PolarHBondContact O-N 2.73Å; P5-L8 PolarHBondContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 3.49Å; L8-Y12 VanDerWaalsContact O-CB 3.22Å; L8-Y12 WeakPolarHBondContact O-CB 3.22Å; L8-Y12 PolarHBondContact O-N 2.85Å
9	L	54.9	Low	51	Low	120 Å²	120	126.2 Å²	126.2	63%	0.628	62%	0.615	S	S	*	*	H	α-helix	trans	-64.7	-41.1	173.3	-88.8	159.4	0	0	0	111.9	P5 A6 Y12 W13	P5-L9 WeakPolarHBondContact O-CB 3.35Å; P5-L9 PolarHBondContact O-N 3.23Å; A6-L9 PolarHBondContact O-N 2.57Å; L9-Y12 PolarHBondContact O-N 3.27Å; L9-W13 WeakPolarHBondContact O-CB 3.21Å; L9-W13 PolarHBondContact O-N 2.96Å
10	L	64.5	Low	50.3	Low	116 Å²	116	124.2 Å²	124.2	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-66.7	-41.4	175.6	-84.8	162.7	0	0	0	112.2	A6 L7 W13 Y14	A6-L10 PolarHBondContact O-N 2.99Å; L7-L10 PolarHBondContact O-N 3.47Å; L10-W13 PolarHBondContact O-N 3.03Å; L10-Y14 WeakPolarHBondContact O-CB 3.48Å; L10-Y14 PolarHBondContact O-N 3.07Å
11	L	57.4	Low	49.8	Very low	111 Å²	111	123.2 Å²	123.2	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-67.5	-39.5	175.6	-77.1	166.7	0	0	0	111.9	L7 L8 Y14 A15	L7-L11 HydrophobicContact CD2-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.13Å; L7-L11 WeakPolarHBondContact O-CG 3.1Å; L7-L11 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 3.49Å; L11-Y14 PolarHBondContact O-N 3.17Å; L11-A15 VanDerWaalsContact O-CB 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 3.09Å
12	Y	53.5	Low	49.6	Very low	163 Å²	163	116.1 Å²	116.1	64%	0.639	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-41.5	173.6	-170.4	-93.4	0	0	0	111.2	L8 L9 A15 F16	L8-Y12 VanDerWaalsContact O-CB 3.22Å; L8-Y12 WeakPolarHBondContact O-CB 3.22Å; L8-Y12 PolarHBondContact O-N 2.85Å; L9-Y12 PolarHBondContact O-N 3.27Å; Y12-A15 PolarHBondContact O-N 3.05Å; Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.04Å
13	W	57.5	Low	48.8	Very low	145 Å²	145	112.2 Å²	112.2	55%	0.549	57%	0.568	S	S	.	*	H	α-helix	trans	-66.9	-38	177.1	-159.3	81	0	0	0	112	L9 L10 R17	L9-W13 WeakPolarHBondContact O-CB 3.21Å; L9-W13 PolarHBondContact O-N 2.96Å; L10-W13 PolarHBondContact O-N 3.03Å; W13-R17 PolarHBondContact O-N 2.96Å
14	Y	58.7	Low	48.4	Very low	176 Å²	176	111.2 Å²	111.2	69%	0.69	56%	0.558	S	S	*	*	H	α-helix	trans	-70.8	-42	175.5	-157.6	-89.1	0	0	0	111.9	L10 L11 F16 R17 A18	L10-Y14 WeakPolarHBondContact O-CB 3.48Å; L10-Y14 PolarHBondContact O-N 3.07Å; L11-Y14 PolarHBondContact O-N 3.17Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; Y14-F16 PolarHBondContact O-N 2.61Å; Y14-R17 PolarHBondContact O-N 2.05Å; Y14-A18 VanDerWaalsContact O-CB 3.27Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 2.87Å
15	A	49.6	Very low	47.5	Very low	58 Å²	58	108.3 Å²	108.3	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-39	174.2	0	0	0	0	0	111.5	L11 Y12 A18 L19	L11-A15 VanDerWaalsContact O-CB 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.33Å; L11-A15 PolarHBondContact O-N 3.09Å; Y12-A15 PolarHBondContact O-N 3.05Å; A15-A18 PolarHBondContact O-N 2.78Å; A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 PolarHBondContact O-N 2.78Å
16	F	46.3	Very low	46.6	Very low	118 Å²	118	112.2 Å²	112.2	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-65.9	-43.6	175.4	-167.9	-94.2	0	0	0	111.7	Y12 Y14 L19 E20	Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.04Å; Y14-F16 VanDerWaalsContact C-N 3.33Å; Y14-F16 PolarHBondContact O-N 2.61Å; F16-L19 PolarHBondContact O-N 2.8Å; F16-E20 WeakPolarHBondContact O-CB 3.47Å; F16-E20 PolarHBondContact O-N 3.16Å
17	R	45.3	Very low	45.4	Very low	136 Å²	136	113.9 Å²	113.9	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-35.3	173.1	-92.2	-155.5	172.6	-163.8	0.5	113.3	W13 Y14 E20 N21	W13-R17 PolarHBondContact O-N 2.96Å; Y14-R17 PolarHBondContact O-N 2.05Å; R17-E20 PolarHBondContact O-N 3.03Å; R17-N21 WeakPolarHBondContact O-CB 3.49Å; R17-N21 VanDerWaalsContact O-CG 3.31Å; R17-N21 PolarHBondContact O-N 3.35Å
18	A	48.7	Very low	44	Very low	48 Å²	48	113.6 Å²	113.6	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-67.6	-39.3	175.5	0	0	0	0	0	110.8	Y14 A15 N21 S22	Y14-A18 VanDerWaalsContact O-CB 3.27Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 2.87Å; A15-A18 PolarHBondContact O-N 2.78Å; A18-N21 PolarHBondContact O-N 2.97Å; A18-S22 WeakPolarHBondContact O-CB 3.49Å; A18-S22 PolarHBondContact O-N 3.04Å; A18-S22 PolarHBondContact O-OG 3.09Å
19	L	38.1	Very low	43	Very low	98 Å²	98	114.5 Å²	114.5	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-43	174.4	-154.6	84.2	0	0	0	111.1	A15 F16 N21 S22 M23	A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 PolarHBondContact O-N 2.78Å; F16-L19 PolarHBondContact O-N 2.8Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.42Å; L19-S22 WeakPolarHBondContact CA-OG 2.96Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 PolarHBondContact O-OG 3.44Å; L19-M23 HydrophobicContact CD2-CE 4.2Å; L19-M23 HydrophobicContact CG-CE 4.38Å; L19-M23 PolarHBondContact O-N 2.92Å
20	E	37.1	Very low	42.1	Very low	87 Å²	87	114.3 Å²	114.3	41%	0.407	59%	0.593	S	S	.	*	H	α-helix	trans	-62	-37.9	176.2	-158.4	-167.8	155.5	0	0	112.1	F16 R17 K24	F16-E20 WeakPolarHBondContact O-CB 3.47Å; F16-E20 PolarHBondContact O-N 3.16Å; R17-E20 PolarHBondContact O-N 3.03Å; E20-K24 WeakPolarHBondContact O-CG 3.42Å; E20-K24 IonicContact OE1-NZ 2.67Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å
21	N	40	Very low	40.5	Very low	103 Å²	103	115.1 Å²	115.1	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-74.4	-35.2	175.1	-73.4	-13.9	0	0	0	112.2	R17 A18 L19 K24	R17-N21 WeakPolarHBondContact O-CB 3.49Å; R17-N21 VanDerWaalsContact O-CG 3.31Å; R17-N21 PolarHBondContact O-N 3.35Å; A18-N21 PolarHBondContact O-N 2.97Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.42Å; N21-K24 PolarHBondContact O-N 2.97Å
22	S	37.4	Very low	39.2	Very low	75 Å²	75	115.9 Å²	115.9	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-72.8	-29	-179.8	67.5	0	0	0	0	113.6	A18 L19 K24	A18-S22 WeakPolarHBondContact O-CB 3.49Å; A18-S22 PolarHBondContact O-N 3.04Å; A18-S22 PolarHBondContact O-OG 3.09Å; L19-S22 WeakPolarHBondContact CA-OG 2.96Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 PolarHBondContact O-OG 3.44Å; S22-K24 VanDerWaalsContact C-N 3.27Å; S22-K24 PolarHBondContact O-N 3.3Å
23	M	29.3	Very low	38.1	Very low	156 Å²	156	116.3 Å²	116.3	77%	0.768	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-7.8	172.7	-72.4	-167.2	-171.9	0	0	113.7	L19	L19-M23 HydrophobicContact CD2-CE 4.2Å; L19-M23 HydrophobicContact CG-CE 4.38Å; L19-M23 PolarHBondContact O-N 2.92Å
24	K	30.8	Very low	36.9	Very low	121 Å²	121	115.6 Å²	115.6	53%	0.526	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	0	-175.3	-90.1	175.5	174.4	164.8	0	115.5	E20 N21 S22	E20-K24 WeakPolarHBondContact O-CG 3.42Å; E20-K24 IonicContact OE1-NZ 2.67Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å; N21-K24 PolarHBondContact O-N 2.97Å; S22-K24 VanDerWaalsContact C-N 3.27Å; S22-K24 PolarHBondContact O-N 3.3Å
25	S	28.4	Very low	35.8	Very low	79 Å²	79	113 Å²	113	55%	0.552	61%	0.607	S	S	*	*			trans	-155.1	82	-174.8	64.6	0	0	0	0	114.1	S27	S25-S27 VanDerWaalsContact C-N 3.35Å
26	I	31.1	Very low	34.9	Very low	164 Å²	164	120 Å²	120	84%	0.841	62%	0.622	S	S	*	*			trans	-92.1	88.4	146	-61	176.3	0	0	0	105.6	V28	I26-V28 HydrophobicContact CG2-CG2 4.2Å; I26-V28 PolarHBondContact O-N 3.06Å
27	S	28.3	Very low	34.1	Very low	85 Å²	85	122.1 Å²	122.1	59%	0.594	63%	0.631	S	S	*	*			trans	-70.7	104.7	172.2	148.4	0	0	0	0	108.3	S25	S25-S27 VanDerWaalsContact C-N 3.35Å
28	V	31.4	Very low	33.4	Very low	104 Å²	104	120 Å²	120	63%	0.63	64%	0.637	S	S	*	*	S	Bend	trans	-105.8	115.4	158.5	-175.5	0	0	0	0	106.5	I26 S30	I26-V28 HydrophobicContact CG2-CG2 4.2Å; I26-V28 PolarHBondContact O-N 3.06Å; V28-S30 PolarHBondContact O-N 3.35Å
29	D	35.3	Very low	32.5	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.6	51.1	177.7	-63.6	-18.4	0	0	0	116.1	K31	D29-K31 PolarHBondContact O-N 3.02Å
30	S	34.9	Very low	31.8	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.7	19.9	163.4	63.9	0	0	0	0	116.5	V28	V28-S30 PolarHBondContact O-N 3.35Å
31	K	31.5	Very low	31.2	Very low	133 Å²	133	130.2 Å²	130.2	58%	0.578	67%	0.67	S	S	*	*			trans	-120.8	115.2	167.1	-73.8	-175.4	178.9	178.2	0	110.5	D29 Y33	D29-K31 PolarHBondContact O-N 3.02Å; K31-Y33 HydrophobicContact CB-CD2 4.28Å; K31-Y33 HydrophobicContact CB-CE2 3.62Å; K31-Y33 WeakPolarHBondContact O-CD2 3.48Å
32	T	29.8	Very low	30.8	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	67%	0.674	S	S	*	*			trans	-74	117.8	172.4	42.7	0	0	0	0	109.9
33	Y	31.1	Very low	30.2	Very low	173 Å²	173	134 Å²	134	68%	0.678	68%	0.678	S	S	*	*			trans	-112.9	118.3	172.6	-69.3	-84.2	0	0	0	109.4	K31	K31-Y33 HydrophobicContact CB-CD2 4.28Å; K31-Y33 HydrophobicContact CB-CE2 3.62Å; K31-Y33 WeakPolarHBondContact O-CD2 3.48Å
34	D	32.4	Very low	29.9	Very low	130 Å²	130	132.6 Å²	132.6	70%	0.695	67%	0.669	S	S	*	*			trans	-115.3	83.1	-179.7	-150.1	-4.2	0	0	0	108
35	I	34	Very low	29.8	Very low	122 Å²	122	133.6 Å²	133.6	63%	0.626	68%	0.676	S	S	*	*			trans	-90.3	-8.4	-163.9	-66.3	176.2	0	0	0	114.1
36	Y	30.8	Very low	30	Very low	205 Å²	205	133.4 Å²	133.4	80%	0.804	67%	0.672	S	S	*	*	S	Bend	trans	-122.9	16.4	-167.6	-88.3	-75.5	0	0	0	117.7
37	K	30.7	Very low	29.8	Very low	161 Å²	161	129 Å²	129	70%	0.7	65%	0.652	S	S	*	*	S	Bend	trans	-120.3	-12.5	-179.6	-99.6	-177.9	178.5	176.6	0	118.6
38	S	29.7	Very low	29.8	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	65%	0.654	S	S	*	*	H	α-helix	trans	-76.6	-36.9	176.1	52.5	0	0	0	0	112.9
39	E	30.5	Very low	30	Very low	158 Å²	158	128.5 Å²	128.5	74%	0.738	64%	0.643	S	S	*	*	H	α-helix	trans	-78.8	-25.7	-172	-69.1	-177.2	161.1	0	0	114.5
40	Y	23.5	Very low	29.8	Very low	175 Å²	175	127.2 Å²	127.2	69%	0.686	63%	0.632	S	S	*	*	H	α-helix	trans	-82.2	-23.8	-173.1	-141.9	-91.3	0	0	0	114
41	I	25.3	Very low	29.5	Very low	114 Å²	114	125.8 Å²	125.8	59%	0.585	62%	0.615	S	S	*	*	H	α-helix	trans	-80.7	-41.2	-178.9	-62.4	177.6	0	0	0	110.7	F43 Q44	I41-F43 PolarHBondContact O-N 3.09Å; I41-Q44 PolarHBondContact O-N 3.41Å
42	D	30.8	Very low	29.7	Very low	118 Å²	118	123.1 Å²	123.1	63%	0.631	61%	0.613	S	S	*	*	H	α-helix	trans	-61.6	-30.4	176.7	-89	0.4	0	0	0	112.7	T46	D42-T46 PolarHBondContact O-N 2.88Å; D42-T46 PolarHBondContact O-OG1 3.47Å
43	F	24.5	Very low	29.8	Very low	139 Å²	139	121.4 Å²	121.4	61%	0.61	60%	0.595	S	S	*	*	H	α-helix	trans	-72.7	-33.5	179.2	-163.3	-99.6	0	0	0	113.1	I41 T46 V47	I41-F43 PolarHBondContact O-N 3.09Å; F43-T46 WeakPolarHBondContact CA-OG1 3.48Å; F43-T46 PolarHBondContact O-OG1 2.75Å; F43-V47 HydrophobicContact CD1-CG2 4.09Å; F43-V47 HydrophobicContact CE1-CG2 3.84Å; F43-V47 HydrophobicContact CZ-CG2 4.3Å; F43-V47 VanDerWaalsContact O-CG2 3.27Å; F43-V47 WeakPolarHBondContact O-CG2 3.4Å; F43-V47 PolarHBondContact O-N 3.09Å
44	Q	23	Very low	29.8	Very low	127 Å²	127	117.2 Å²	117.2	59%	0.593	59%	0.588	S	S	*	*	H	α-helix	trans	-72.7	-37.3	179	-78.7	-154.4	-19.6	0	0	113	I41 V47 L48	I41-Q44 PolarHBondContact O-N 3.41Å; Q44-V47 PolarHBondContact O-N 2.85Å; Q44-L48 PolarHBondContact O-N 3.31Å; Q44-L48 VanDerWaalsContact O-N 3.12Å
45	E	28.8	Very low	29.8	Very low	143 Å²	143	119.9 Å²	119.9	67%	0.668	59%	0.588	S	S	*	*	H	α-helix	trans	-66.7	-38	177.2	-73.4	-166.6	159.7	0	0	112	S49	E45-S49 PolarHBondContact O-N 3.36Å
46	T	32.6	Very low	29.9	Very low	75 Å²	75	120.8 Å²	120.8	46%	0.46	59%	0.587	S	S	.	*	H	α-helix	trans	-66.1	-41.2	176.2	25.7	0	0	0	0	112.2	D42 F43 S49 H50	D42-T46 PolarHBondContact O-N 2.88Å; D42-T46 PolarHBondContact O-OG1 3.47Å; F43-T46 WeakPolarHBondContact CA-OG1 3.48Å; F43-T46 PolarHBondContact O-OG1 2.75Å; T46-S49 PolarHBondContact O-N 3.47Å; T46-S49 PolarHBondContact O-OG 2.73Å; T46-H50 PolarHBondContact O-N 3.46Å; T46-H50 PolarHBondContact O-ND1 3.18Å
47	V	27.5	Very low	30	Very low	70 Å²	70	112.4 Å²	112.4	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-66.1	-40.5	177.8	172.7	0	0	0	0	112.3	F43 Q44 S49 H50 L51	F43-V47 HydrophobicContact CD1-CG2 4.09Å; F43-V47 HydrophobicContact CE1-CG2 3.84Å; F43-V47 HydrophobicContact CZ-CG2 4.3Å; F43-V47 VanDerWaalsContact O-CG2 3.27Å; F43-V47 WeakPolarHBondContact O-CG2 3.4Å; F43-V47 PolarHBondContact O-N 3.09Å; Q44-V47 PolarHBondContact O-N 2.85Å; V47-S49 PolarHBondContact O-N 3.02Å; V47-H50 PolarHBondContact O-N 2.71Å; V47-L51 PolarHBondContact O-N 2.97Å
48	L	27.8	Very low	30.1	Very low	122 Å²	122	108.3 Å²	108.3	64%	0.639	55%	0.546	S	S	*	.	H	α-helix	trans	-66.2	-36.7	178.6	-76.6	167.9	0	0	0	112.4	Q44 H50 L51	Q44-L48 PolarHBondContact O-N 3.31Å; Q44-L48 VanDerWaalsContact O-N 3.12Å; L48-H50 VanDerWaalsContact C-N 3.33Å; L48-H50 PolarHBondContact O-N 3.2Å; L48-L51 PolarHBondContact O-N 2.97Å
49	S	36.4	Very low	30.3	Very low	58 Å²	58	107 Å²	107	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-40.1	173.3	78.8	0	0	0	0	112.1	E45 T46 V47 L51 S52	E45-S49 PolarHBondContact O-N 3.36Å; T46-S49 PolarHBondContact O-N 3.47Å; T46-S49 PolarHBondContact O-OG 2.73Å; V47-S49 PolarHBondContact O-N 3.02Å; S49-L51 PolarHBondContact O-N 3.42Å; S49-S52 PolarHBondContact O-OG 3.13Å
50	H	29.9	Very low	30.6	Very low	113 Å²	113	102.8 Å²	102.8	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-33.4	-179.2	-88.6	33.9	0	0	0	113.2	T46 V47 L48 S52 F53 V54	T46-H50 PolarHBondContact O-N 3.46Å; T46-H50 PolarHBondContact O-ND1 3.18Å; V47-H50 PolarHBondContact O-N 2.71Å; L48-H50 VanDerWaalsContact C-N 3.33Å; L48-H50 PolarHBondContact O-N 3.2Å; H50-S52 VanDerWaalsContact C-N 3.3Å; H50-S52 PolarHBondContact O-N 2.86Å; H50-F53 PolarHBondContact O-N 3.49Å; H50-F53 VanDerWaalsContact O-N 3.14Å; H50-V54 VanDerWaalsContact O-CG2 3.32Å; H50-V54 WeakPolarHBondContact O-CG2 3.39Å; H50-V54 PolarHBondContact O-N 2.91Å
51	L	30.1	Very low	30.9	Very low	88 Å²	88	96 Å²	96	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-64.2	-35.3	-176.7	-143	150.6	0	0	0	112.3	V47 L48 S49 R55	V47-L51 PolarHBondContact O-N 2.97Å; L48-L51 PolarHBondContact O-N 2.97Å; S49-L51 PolarHBondContact O-N 3.42Å; L51-R55 PolarHBondContact O-N 2.94Å
52	S	34.6	Very low	31.3	Very low	77 Å²	77	98.9 Å²	98.9	54%	0.538	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-37.4	175.2	77.3	0	0	0	0	112.7	S49 H50 K56	S49-S52 PolarHBondContact O-OG 3.13Å; H50-S52 VanDerWaalsContact C-N 3.3Å; H50-S52 PolarHBondContact O-N 2.86Å; S52-K56 PolarHBondContact O-N 3.47Å
53	F	31.2	Very low	31.7	Very low	90 Å²	90	99.1 Å²	99.1	40%	0.395	49%	0.493	S	S	.	.	H	α-helix	trans	-72.8	-47.3	179.9	-172.5	-99.3	0	0	0	111	H50 R55 K56 T57	H50-F53 PolarHBondContact O-N 3.49Å; H50-F53 VanDerWaalsContact O-N 3.14Å; F53-R55 VanDerWaalsContact C-N 3.28Å; F53-R55 PolarHBondContact O-N 3.32Å; F53-K56 PolarHBondContact O-N 3.14Å; F53-T57 PolarHBondContact O-N 2.78Å; F53-T57 PolarHBondContact O-OG1 3.03Å
54	V	31.1	Very low	32.1	Very low	85 Å²	85	94.6 Å²	94.6	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-54.3	-43.5	175.1	173	0	0	0	0	110.9	H50 K56 T57 T58	H50-V54 VanDerWaalsContact O-CG2 3.32Å; H50-V54 WeakPolarHBondContact O-CG2 3.39Å; H50-V54 PolarHBondContact O-N 2.91Å; V54-K56 PolarHBondContact O-N 3.47Å; V54-T57 PolarHBondContact O-N 3.15Å; V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.91Å; V54-T58 PolarHBondContact O-OG1 3.22Å
55	R	33.6	Very low	32.5	Very low	186 Å²	186	91.8 Å²	91.8	70%	0.702	48%	0.475	S	S	*	.	H	α-helix	trans	-59.5	-44.4	176.1	-83.9	-176	-174.8	157.4	3.2	113.2	L51 F53 T58 S59	L51-R55 PolarHBondContact O-N 2.94Å; F53-R55 VanDerWaalsContact C-N 3.28Å; F53-R55 PolarHBondContact O-N 3.32Å; R55-T58 PolarHBondContact O-N 3.08Å; R55-S59 PolarHBondContact O-N 2.88Å; R55-S59 VanDerWaalsContact O-N 3.08Å
56	K	35.8	Very low	32.9	Very low	140 Å²	140	91.1 Å²	91.1	61%	0.609	47%	0.472	S	S	*	.	H	α-helix	trans	-66.9	-42.5	177.8	-78.4	-176	177	180	0	111.9	S52 F53 V54 T58 S59 F60	S52-K56 PolarHBondContact O-N 3.47Å; F53-K56 PolarHBondContact O-N 3.14Å; V54-K56 PolarHBondContact O-N 3.47Å; K56-T58 VanDerWaalsContact C-N 3.31Å; K56-T58 PolarHBondContact O-N 2.97Å; K56-S59 WeakPolarHBondContact O-CB 3.37Å; K56-S59 PolarHBondContact O-N 3.23Å; K56-F60 PolarHBondContact O-N 3.19Å
57	T	32.8	Very low	33.2	Very low	30 Å²	30	95.5 Å²	95.5	18%	0.184	49%	0.486	C	S	.	.	H	α-helix	trans	-63	-40.2	176	-42.9	0	0	0	0	110.9	F53 V54 S59 F60 L61	F53-T57 PolarHBondContact O-N 2.78Å; F53-T57 PolarHBondContact O-OG1 3.03Å; V54-T57 PolarHBondContact O-N 3.15Å; T57-S59 VanDerWaalsContact C-N 3.3Å; T57-S59 PolarHBondContact O-N 2.82Å; T57-F60 PolarHBondContact O-N 3.18Å; T57-L61 HydrophobicContact CG2-CD1 4.5Å; T57-L61 VanDerWaalsContact O-CG 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.39Å; T57-L61 PolarHBondContact O-N 3.09Å
58	T	32.1	Very low	33.4	Very low	74 Å²	74	98.2 Å²	98.2	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-37.6	176.1	-43.9	0	0	0	0	111.7	V54 R55 K56 R62	V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.91Å; V54-T58 PolarHBondContact O-OG1 3.22Å; R55-T58 PolarHBondContact O-N 3.08Å; K56-T58 VanDerWaalsContact C-N 3.31Å; K56-T58 PolarHBondContact O-N 2.97Å; T58-R62 PolarHBondContact O-N 3.46Å; T58-R62 VanDerWaalsContact O-N 3.09Å
59	S	35.2	Very low	33.5	Very low	66 Å²	66	99.3 Å²	99.3	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-42.2	173.4	-177.7	0	0	0	0	112.5	R55 K56 T57 R62 Q63	R55-S59 PolarHBondContact O-N 2.88Å; R55-S59 VanDerWaalsContact O-N 3.08Å; K56-S59 WeakPolarHBondContact O-CB 3.37Å; K56-S59 PolarHBondContact O-N 3.23Å; T57-S59 VanDerWaalsContact C-N 3.3Å; T57-S59 PolarHBondContact O-N 2.82Å; S59-R62 WeakPolarHBondContact O-CB 3.18Å; S59-R62 PolarHBondContact O-N 2.98Å; S59-Q63 PolarHBondContact O-N 3.28Å
60	F	36.9	Very low	33.1	Very low	69 Å²	69	102.1 Å²	102.1	30%	0.303	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-44	176.4	173.6	-103.6	0	0	0	111.8	K56 T57 R62 Q63 V64	K56-F60 PolarHBondContact O-N 3.19Å; T57-F60 PolarHBondContact O-N 3.18Å; F60-R62 PolarHBondContact O-N 3.32Å; F60-Q63 PolarHBondContact O-N 3.41Å; F60-Q63 VanDerWaalsContact O-N 3.1Å; F60-V64 HydrophobicContact CD1-CG2 4.4Å; F60-V64 HydrophobicContact CD2-CG2 4.46Å; F60-V64 HydrophobicContact CE1-CG2 3.86Å; F60-V64 HydrophobicContact CE2-CG2 3.93Å; F60-V64 HydrophobicContact CZ-CG2 3.57Å; F60-V64 PolarHBondContact O-N 3.5Å
61	L	29	Very low	33	Very low	31 Å²	31	101.9 Å²	101.9	16%	0.162	52%	0.519	C	S	.	.	H	α-helix	trans	-58.7	-35.2	175	-68.8	173.9	0	0	0	112.4	T57 A65 T98	T57-L61 HydrophobicContact CG2-CD1 4.5Å; T57-L61 VanDerWaalsContact O-CG 3.25Å; T57-L61 WeakPolarHBondContact O-CG 3.39Å; T57-L61 PolarHBondContact O-N 3.09Å; L61-A65 VanDerWaalsContact O-CB 3.32Å; L61-A65 WeakPolarHBondContact O-CB 3.09Å; L61-A65 PolarHBondContact O-N 2.71Å; L61-T98 VanDerWaalsContact CD2-CB 3.47Å; L61-T98 HydrophobicContact CD2-CG2 3.25Å
62	R	33.8	Very low	32.8	Very low	175 Å²	175	106.2 Å²	106.2	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-65	-44	175	-170.3	177.9	-178.7	159.9	4.1	111.8	T58 S59 F60 A65 E66	T58-R62 PolarHBondContact O-N 3.46Å; T58-R62 VanDerWaalsContact O-N 3.09Å; S59-R62 WeakPolarHBondContact O-CB 3.18Å; S59-R62 PolarHBondContact O-N 2.98Å; F60-R62 PolarHBondContact O-N 3.32Å; R62-A65 PolarHBondContact O-N 3.44Å; R62-E66 IonicContact NE-OE1 2.69Å; R62-E66 PolarHBondContact NE-OE1 2.9Å; R62-E66 WeakPolarHBondContact O-CG 3.04Å; R62-E66 PolarHBondContact O-N 3.35Å
63	Q	38.4	Very low	32.3	Very low	123 Å²	123	111.2 Å²	111.2	58%	0.575	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-40.4	178.1	-73.6	179	-13.1	0	0	112.7	S59 F60 E66 H67	S59-Q63 PolarHBondContact O-N 3.28Å; F60-Q63 PolarHBondContact O-N 3.41Å; F60-Q63 VanDerWaalsContact O-N 3.1Å; Q63-E66 PolarHBondContact O-N 2.97Å; Q63-H67 PolarHBondContact O-N 3.22Å
64	V	34.3	Very low	31.9	Very low	45 Å²	45	116.8 Å²	116.8	27%	0.273	57%	0.568	S	S	.	*	H	α-helix	trans	-67.2	-39.6	176.5	177.4	0	0	0	0	111.2	F60 E66 H67 Y68	F60-V64 HydrophobicContact CD1-CG2 4.4Å; F60-V64 HydrophobicContact CD2-CG2 4.46Å; F60-V64 HydrophobicContact CE1-CG2 3.86Å; F60-V64 HydrophobicContact CE2-CG2 3.93Å; F60-V64 HydrophobicContact CZ-CG2 3.57Å; F60-V64 PolarHBondContact O-N 3.5Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 3.47Å; V64-H67 PolarHBondContact O-N 3.33Å; V64-Y68 HydrophobicContact CG1-CD2 4.3Å; V64-Y68 PolarHBondContact O-N 2.87Å
65	A	30.6	Very low	31.7	Very low	67 Å²	67	118.9 Å²	118.9	55%	0.554	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-33	176.8	0	0	0	0	0	113	L61 R62 H67	L61-A65 VanDerWaalsContact O-CB 3.32Å; L61-A65 WeakPolarHBondContact O-CB 3.09Å; L61-A65 PolarHBondContact O-N 2.71Å; R62-A65 PolarHBondContact O-N 3.44Å; A65-H67 VanDerWaalsContact C-N 3.34Å
66	E	38.3	Very low	31.3	Very low	130 Å²	130	114.6 Å²	114.6	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-73.5	-23.7	176.9	-75.5	171.5	-171	0	0	112.7	R62 Q63 V64	R62-E66 IonicContact NE-OE1 2.69Å; R62-E66 PolarHBondContact NE-OE1 2.9Å; R62-E66 WeakPolarHBondContact O-CG 3.04Å; R62-E66 PolarHBondContact O-N 3.35Å; Q63-E66 PolarHBondContact O-N 2.97Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 3.47Å
67	H	38.5	Very low	30.8	Very low	166 Å²	166	113.7 Å²	113.7	77%	0.769	56%	0.563	S	S	*	*	H	α-helix	trans	-87.7	-22.6	-177.4	-111	59.3	0	0	0	115.3	Q63 V64 A65	Q63-H67 PolarHBondContact O-N 3.22Å; V64-H67 PolarHBondContact O-N 3.33Å; A65-H67 VanDerWaalsContact C-N 3.34Å
68	Y	32	Very low	30.6	Very low	128 Å²	128	116.2 Å²	116.2	50%	0.502	58%	0.576	S	S	.	*			trans	-107.1	98.1	-178.3	-78	-83.3	0	0	0	111.1	V64 I70	V64-Y68 HydrophobicContact CG1-CD2 4.3Å; V64-Y68 PolarHBondContact O-N 2.87Å; Y68-I70 HydrophobicContact CD1-CD1 4.07Å; Y68-I70 HydrophobicContact CD1-CG1 4.33Å; Y68-I70 HydrophobicContact CG-CD1 4.26Å; Y68-I70 PolarHBondContact O-N 3.05Å
69	T	28.7	Very low	30.6	Very low	145 Å²	145	115.3 Å²	115.3	89%	0.89	57%	0.567	S	S	*	*			trans	-72.6	59.5	162.9	52.7	0	0	0	0	110.2
70	I	28.9	Very low	30.3	Very low	116 Å²	116	113.7 Å²	113.7	60%	0.595	55%	0.551	S	S	*	*			trans	-76	135.1	167.8	-64.9	165.6	0	0	0	106.1	Y68 Q72	Y68-I70 HydrophobicContact CD1-CD1 4.07Å; Y68-I70 HydrophobicContact CD1-CG1 4.33Å; Y68-I70 HydrophobicContact CG-CD1 4.26Å; Y68-I70 PolarHBondContact O-N 3.05Å; I70-Q72 PolarHBondContact O-N 3.44Å
71	P	26.5	Very low	30.1	Very low	108 Å²	108	113 Å²	113	70%	0.701	55%	0.552	S	S	*	*			trans	-53.4	124.4	-169.3	-18.7	28.3	0	0	0	108.7	K73	P71-K73 PolarHBondContact O-N 3.04Å
72	Q	27	Very low	30.1	Very low	180 Å²	180	120.3 Å²	120.3	84%	0.841	58%	0.578	S	S	*	*			trans	-66	54.1	172.6	-64.5	179.9	-7.2	0	0	110.1	I70 R74	I70-Q72 PolarHBondContact O-N 3.44Å; Q72-R74 PolarHBondContact O-N 3.16Å
73	K	24	Very low	30.2	Very low	182 Å²	182	113.2 Å²	113.2	79%	0.791	55%	0.552	S	S	*	*			trans	-62.2	96	163.8	-100.5	-172.6	173.4	-176.2	0	105.1	P71 I75	P71-K73 PolarHBondContact O-N 3.04Å; K73-I75 VanDerWaalsContact C-N 3.27Å; K73-I75 PolarHBondContact O-N 3.46Å
74	R	23.1	Very low	29.8	Very low	206 Å²	206	113.3 Å²	113.3	78%	0.777	55%	0.547	S	S	*	.			trans	-54.7	99.7	162.8	-70.8	-176.5	-177.1	-175.4	3.7	105.3	Q72 L76 E77	Q72-R74 PolarHBondContact O-N 3.16Å; R74-L76 PolarHBondContact O-N 2.89Å; R74-E77 IonicContact NH1-OE1 3.43Å; R74-E77 PolarHBondContact NH1-OE1 3.28Å
75	I	26.1	Very low	29.5	Very low	129 Å²	129	115.3 Å²	115.3	66%	0.662	56%	0.557	S	S	*	*			trans	-72.4	93	169.5	-60.5	175	0	0	0	104.5	K73	K73-I75 VanDerWaalsContact C-N 3.27Å; K73-I75 PolarHBondContact O-N 3.46Å
76	L	26.3	Very low	29.3	Very low	97 Å²	97	119.1 Å²	119.1	51%	0.508	57%	0.573	S	S	.	*			trans	58.9	111	154.4	-61.1	158.7	0	0	0	115.1	R74 N78	R74-L76 PolarHBondContact O-N 2.89Å; L76-N78 PolarHBondContact O-N 3.22Å
77	E	25.2	Very low	28.8	Very low	120 Å²	120	114.7 Å²	114.7	56%	0.561	56%	0.556	S	S	*	*			trans	-66.6	66.7	167.4	-70.4	174.4	172	0	0	110.5	R74	R74-E77 IonicContact NH1-OE1 3.43Å; R74-E77 PolarHBondContact NH1-OE1 3.28Å
78	N	27.3	Very low	28.2	Very low	83 Å²	83	114 Å²	114	44%	0.444	56%	0.558	S	S	.	*			trans	-91.3	91.9	156.2	-99.3	-16.7	0	0	0	106.5	L76 F80	L76-N78 PolarHBondContact O-N 3.22Å; N78-F80 PolarHBondContact O-N 3.08Å
79	E	32.2	Very low	28	Very low	56 Å²	56	113.1 Å²	113.1	26%	0.262	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-57.1	-18.7	-168.8	-69	-179.4	135.2	0	0	114	V81 R82 H83	E79-V81 PolarHBondContact O-N 3.37Å; E79-R82 PolarHBondContact O-N 3.31Å; E79-H83 PolarHBondContact O-CE1 3.36Å; E79-H83 PolarHBondContact O-ND1 3.19Å
80	F	30.3	Very low	28	Very low	31 Å²	31	111.2 Å²	111.2	14%	0.136	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-77.2	-6.9	-173.3	-116.7	-96.9	0	0	0	117.5	N78 H83 L464 Y467 H506 Y780	N78-F80 PolarHBondContact O-N 3.08Å; F80-H83 AromaticContact CD1-NE2 3.91Å; F80-H83 AromaticContact CE1-NE2 3.79Å; F80-H83 AromaticContact CG-CE1 3.98Å; F80-H83 AromaticContact CZ-NE2 3.95Å; F80-H83 WeakPolarHBondContact O-CB 3.46Å; F80-H83 PolarHBondContact O-ND1 3.26Å; F80-L464 HydrophobicContact CD1-CD1 4.15Å; F80-L464 HydrophobicContact CE1-CD1 3.72Å; F80-Y467 HydrophobicContact CE1-CD1 4.05Å; F80-Y467 AromaticContact CE1-CE1 3.95Å; F80-Y467 HydrophobicContact CE1-CE1 3.95Å; F80-Y467 HydrophobicContact CE2-CE1 4.26Å; F80-Y467 AromaticContact CZ-CD1 3.89Å; F80-Y467 HydrophobicContact CZ-CD1 3.89Å; F80-Y467 AromaticContact CZ-CE1 3.42Å; F80-Y467 HydrophobicContact CZ-CE1 3.42Å; F80-Y467 VanDerWaalsContact CZ-CE1 3.42Å; F80-Y467 AromaticContact CZ-CZ 3.99Å; F80-H506 AromaticContact CE2-CD2 3.73Å; F80-H506 AromaticContact CE2-CE1 3.73Å; F80-H506 AromaticContact CE2-NE2 3.52Å; F80-Y780 AromaticContact CD2-CE1 3.87Å; F80-Y780 HydrophobicContact CD2-CE1 3.87Å; F80-Y780 HydrophobicContact CD2-CE2 4.33Å; F80-Y780 AromaticContact CD2-CZ 3.49Å; F80-Y780 VanDerWaalsContact CD2-CZ 3.49Å; F80-Y780 WeakPolarHBondContact CD2-OH 3.04Å; F80-Y780 AromaticContact CE2-CE1 3.93Å; F80-Y780 HydrophobicContact CE2-CE1 3.93Å; F80-Y780 AromaticContact CE2-CE2 3.75Å; F80-Y780 HydrophobicContact CE2-CE2 3.75Å; F80-Y780 AromaticContact CE2-CZ 3.35Å; F80-Y780 VanDerWaalsContact CE2-OH 3.27Å; F80-Y780 WeakPolarHBondContact CE2-OH 3.33Å
81	V	32.1	Very low	28.2	Very low	54 Å²	54	111.1 Å²	111.1	33%	0.327	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-110.7	12.6	173.6	-147.6	0	0	0	0	113.6	E79 H83 R385	E79-V81 PolarHBondContact O-N 3.37Å; V81-H83 PolarHBondContact O-N 3.49Å; V81-H83 VanDerWaalsContact O-N 3.13Å; V81-R385 HydrophobicContact CG2-CG 4.18Å
82	R	28.6	Very low	28.5	Very low	186 Å²	186	109.4 Å²	109.4	70%	0.702	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.9	154.6	-75.8	-169.2	-177	-177.8	6.2	112.8	E79 W84 N85	E79-R82 PolarHBondContact O-N 3.31Å; R82-W84 VanDerWaalsContact C-N 3.25Å; R82-W84 PolarHBondContact O-N 3.28Å; R82-W84 VanDerWaalsContact O-N 3.15Å; R82-N85 WeakPolarHBondContact O-CB 3.19Å; R82-N85 PolarHBondContact O-N 2.95Å
83	H	35.9	Very low	28.9	Very low	25 Å²	25	105.8 Å²	105.8	12%	0.116	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.2	-165.1	-68.2	55.5	0	0	0	115.1	E79 F80 V81 N85 S502 E503	E79-H83 PolarHBondContact O-CE1 3.36Å; E79-H83 PolarHBondContact O-ND1 3.19Å; F80-H83 AromaticContact CD1-NE2 3.91Å; F80-H83 AromaticContact CE1-NE2 3.79Å; F80-H83 AromaticContact CG-CE1 3.98Å; F80-H83 AromaticContact CZ-NE2 3.95Å; F80-H83 WeakPolarHBondContact O-CB 3.46Å; F80-H83 PolarHBondContact O-ND1 3.26Å; V81-H83 PolarHBondContact O-N 3.49Å; V81-H83 VanDerWaalsContact O-N 3.13Å; H83-N85 PolarHBondContact O-N 3.08Å; H83-S502 PolarHBondContact CD2-OG 3.37Å; H83-S502 PolarHBondContact CE1-OG 3.5Å; H83-S502 PolarHBondContact NE2-OG 3.29Å; H83-E503 WeakPolarHBondContact CB-OE1 3.44Å; H83-E503 VanDerWaalsContact CD2-CD 3.45Å; H83-E503 IonicContact CD2-OE1 3.84Å; H83-E503 PolarHBondContact CD2-OE1 3.15Å; H83-E503 IonicContact CG-OE1 3.79Å
84	W	30.5	Very low	29.6	Very low	125 Å²	125	99.5 Å²	99.5	47%	0.473	49%	0.493	S	S	.	.	S	Bend	trans	-90.8	38.9	166.2	-76.2	47.9	0	0	0	110.7	R82 V86	R82-W84 VanDerWaalsContact C-N 3.25Å; R82-W84 PolarHBondContact O-N 3.28Å; R82-W84 VanDerWaalsContact O-N 3.15Å; W84-V86 PolarHBondContact O-N 3.31Å
85	N	27.1	Very low	30.3	Very low	88 Å²	88	91.9 Å²	91.9	47%	0.471	47%	0.465	S	S	.	.			trans	-72.6	81.5	-162.7	-153.4	11.5	0	0	0	112.1	R82 H83 S87 N88	R82-N85 WeakPolarHBondContact O-CB 3.19Å; R82-N85 PolarHBondContact O-N 2.95Å; H83-N85 PolarHBondContact O-N 3.08Å; N85-S87 VanDerWaalsContact OD1-C 3.27Å; N85-S87 PolarHBondContact OD1-O 3.29Å; N85-N88 PolarHBondContact ND2-OD1 2.95Å; N85-N88 VanDerWaalsContact ND2-OD1 3.14Å; N85-N88 PolarHBondContact OD1-OD1 3.42Å
86	V	27.9	Very low	30.9	Very low	147 Å²	147	87.2 Å²	87.2	89%	0.891	44%	0.44	S	S	*	.	S	Bend	trans	-98	2.7	156.2	-166.6	0	0	0	0	110.9	W84	W84-V86 PolarHBondContact O-N 3.31Å
87	S	26.4	Very low	31.5	Very low	37 Å²	37	83.4 Å²	83.4	26%	0.259	42%	0.419	S	S	.	.			trans	-157.5	123.3	168	75.5	0	0	0	0	112.9	N85 L89 K95	N85-S87 VanDerWaalsContact OD1-C 3.27Å; N85-S87 PolarHBondContact OD1-O 3.29Å; S87-L89 PolarHBondContact O-N 3Å; S87-K95 PolarHBondContact OG-NZ 3.41Å
88	N	26.8	Very low	32.2	Very low	150 Å²	150	79.5 Å²	79.5	80%	0.802	40%	0.404	S	S	*	.	S	Bend	trans	-61.5	20.2	170.7	-75.6	-19.4	0	0	0	115	N85	N85-N88 PolarHBondContact ND2-OD1 2.95Å; N85-N88 VanDerWaalsContact ND2-OD1 3.14Å; N85-N88 PolarHBondContact OD1-OD1 3.42Å
89	L	27.5	Very low	32.9	Very low	111 Å²	111	78.4 Å²	78.4	58%	0.581	40%	0.4	S	S	*	.	S	Bend	trans	-99.1	133.4	176.2	-78.6	160.6	0	0	0	109.2	S87 W91	S87-L89 PolarHBondContact O-N 3Å; L89-W91 PolarHBondContact O-N 3.24Å
90	P	28.5	Very low	33.2	Very low	105 Å²	105	76.3 Å²	76.3	68%	0.682	39%	0.392	S	S	*	.			trans	-54.4	116.5	179.1	22.2	-31.8	0	0	0	109.3	T92	P90-T92 PolarHBondContact O-N 3.03Å
91	W	32.4	Very low	33.8	Very low	113 Å²	113	75.2 Å²	75.2	43%	0.428	39%	0.387	S	S	.	.			trans	-66.9	97.2	174.3	-92.1	45.8	0	0	0	108.3	L89 Y96	L89-W91 PolarHBondContact O-N 3.24Å; W91-Y96 HydrophobicContact CE3-CD2 4.22Å; W91-Y96 AromaticContact CZ3-CD2 3.61Å; W91-Y96 HydrophobicContact CZ3-CD2 3.61Å; W91-Y96 HydrophobicContact CZ3-CG 4.31Å
92	T	33.7	Very low	34.2	Very low	73 Å²	73	74.8 Å²	74.8	45%	0.448	38%	0.383	S	S	.	.			trans	-72.6	150.2	164.7	55.3	0	0	0	0	108.9	P90 A94 K95 Y96	P90-T92 PolarHBondContact O-N 3.03Å; T92-A94 PolarHBondContact O-N 3.35Å; T92-A94 VanDerWaalsContact O-N 3.1Å; T92-K95 WeakPolarHBondContact O-CB 3.32Å; T92-K95 PolarHBondContact O-N 3.42Å; T92-Y96 PolarHBondContact O-N 3.23Å
93	Y	35.9	Very low	34.8	Very low	103 Å²	103	68.4 Å²	68.4	40%	0.404	37%	0.367	S	S	.	.	H	α-helix	trans	-48.1	-38.8	175.9	-178.7	-95.7	0	0	0	112.2	Y96 L97 Y351	Y93-Y96 PolarHBondContact O-N 2.04Å; Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.44Å; Y93-Y351 AromaticContact CE2-CD1 3.86Å; Y93-Y351 HydrophobicContact CE2-CD1 3.86Å; Y93-Y351 AromaticContact CE2-CE1 3.81Å; Y93-Y351 HydrophobicContact CE2-CE1 3.81Å; Y93-Y351 AromaticContact CZ-CD1 3.65Å; Y93-Y351 AromaticContact CZ-CE1 3.83Å; Y93-Y351 WeakPolarHBondContact OH-CD1 3.48Å; Y93-Y351 WeakPolarHBondContact OH-CE1 3.44Å
94	A	38.2	Very low	35	Very low	50 Å²	50	67.7 Å²	67.7	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-57.4	-49.3	173.4	0	0	0	0	0	112.5	T92 Y96 L97 T98	T92-A94 PolarHBondContact O-N 3.35Å; T92-A94 VanDerWaalsContact O-N 3.1Å; A94-Y96 VanDerWaalsContact C-N 3.31Å; A94-Y96 PolarHBondContact O-N 3.29Å; A94-L97 WeakPolarHBondContact O-CB 3.42Å; A94-L97 PolarHBondContact O-N 3.1Å; A94-L97 VanDerWaalsContact O-N 3.16Å; A94-T98 PolarHBondContact O-N 2.9Å; A94-T98 PolarHBondContact O-OG1 3.01Å
95	K	37.5	Very low	35.5	Very low	47 Å²	47	63.4 Å²	63.4	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-39.4	-178.3	-163.3	173.4	-176.1	-174.3	0	111.9	S87 T92 T99	S87-K95 PolarHBondContact OG-NZ 3.41Å; T92-K95 WeakPolarHBondContact O-CB 3.32Å; T92-K95 PolarHBondContact O-N 3.42Å; K95-T99 WeakPolarHBondContact O-CB 3.24Å; K95-T99 PolarHBondContact O-N 2.92Å; K95-T99 PolarHBondContact O-OG1 3.45Å
96	Y	38.4	Very low	36.2	Very low	31 Å²	31	63.5 Å²	63.5	12%	0.122	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-45.8	173.8	167.7	-110	0	0	0	112.4	W91 T92 Y93 A94 T98 T99 S100 Y351 L378	W91-Y96 HydrophobicContact CE3-CD2 4.22Å; W91-Y96 AromaticContact CZ3-CD2 3.61Å; W91-Y96 HydrophobicContact CZ3-CD2 3.61Å; W91-Y96 HydrophobicContact CZ3-CG 4.31Å; T92-Y96 PolarHBondContact O-N 3.23Å; Y93-Y96 PolarHBondContact O-N 2.04Å; A94-Y96 VanDerWaalsContact C-N 3.31Å; A94-Y96 PolarHBondContact O-N 3.29Å; Y96-T98 PolarHBondContact O-N 3.14Å; Y96-T99 PolarHBondContact O-N 3.26Å; Y96-S100 WeakPolarHBondContact O-CB 3.33Å; Y96-S100 PolarHBondContact O-N 3.37Å; Y96-S100 PolarHBondContact O-OG 3.22Å; Y96-Y351 AromaticContact CE1-CE1 3.97Å; Y96-Y351 HydrophobicContact CE1-CE1 3.97Å; Y96-Y351 AromaticContact CE1-CZ 3.9Å; Y96-Y351 WeakPolarHBondContact CE1-OH 3.45Å; Y96-L378 HydrophobicContact CE2-CD1 3.95Å; Y96-L378 WeakPolarHBondContact OH-CD1 3.42Å; Y96-L378 VanDerWaalsContact OH-CD2 3.24Å; Y96-L378 WeakPolarHBondContact OH-CD2 3.25Å; Y96-L378 WeakPolarHBondContact OH-CG 3.39Å
97	L	39.3	Very low	36.7	Very low	16 Å²	16	60.8 Å²	60.8	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-48.6	175.9	-171.5	82.2	0	0	0	110.5	Y93 A94 T99 S100 I101 L304 Y351	Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.44Å; A94-L97 WeakPolarHBondContact O-CB 3.42Å; A94-L97 PolarHBondContact O-N 3.1Å; A94-L97 VanDerWaalsContact O-N 3.16Å; L97-T99 PolarHBondContact O-N 2.91Å; L97-S100 PolarHBondContact O-N 2.75Å; L97-I101 HydrophobicContact CD1-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 4.14Å; L97-I101 HydrophobicContact CG-CD1 3.76Å; L97-I101 HydrophobicContact CG-CG1 4.47Å; L97-I101 WeakPolarHBondContact O-CB 3.41Å; L97-I101 WeakPolarHBondContact O-CG1 3.25Å; L97-I101 PolarHBondContact O-N 3.25Å; L97-L304 HydrophobicContact CD1-CD1 4.35Å; L97-L304 HydrophobicContact CD1-CG 4.5Å; L97-Y351 HydrophobicContact CD1-CD2 4.32Å; L97-Y351 HydrophobicContact CD1-CE2 3.67Å
98	T	40.9	Very low	37.2	Very low	38 Å²	38	60.3 Å²	60.3	23%	0.233	32%	0.317	C	S	.	.	H	α-helix	trans	-69.9	-34.7	-178.8	-23.9	0	0	0	0	112.7	L61 A94 Y96 N102	L61-T98 VanDerWaalsContact CD2-CB 3.47Å; L61-T98 HydrophobicContact CD2-CG2 3.25Å; A94-T98 PolarHBondContact O-N 2.9Å; A94-T98 PolarHBondContact O-OG1 3.01Å; Y96-T98 PolarHBondContact O-N 3.14Å; T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-N 3.32Å; T98-N102 PolarHBondContact O-ND2 2.84Å
99	T	40.1	Very low	37.7	Very low	60 Å²	60	55.1 Å²	55.1	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-67.7	-42.2	175.6	-48.5	0	0	0	0	110.5	K95 Y96 L97 N102 S103	K95-T99 WeakPolarHBondContact O-CB 3.24Å; K95-T99 PolarHBondContact O-N 2.92Å; K95-T99 PolarHBondContact O-OG1 3.45Å; Y96-T99 PolarHBondContact O-N 3.26Å; L97-T99 PolarHBondContact O-N 2.91Å; T99-N102 PolarHBondContact O-N 3.44Å; T99-S103 WeakPolarHBondContact O-CB 3.3Å; T99-S103 PolarHBondContact O-N 3.45Å; T99-S103 PolarHBondContact O-OG 2.94Å
100	S	40.1	Very low	38.1	Very low	12 Å²	12	54.5 Å²	54.5	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-52.1	174.8	-56.5	0	0	0	0	110.4	Y96 L97 N102 S103 I104	Y96-S100 WeakPolarHBondContact O-CB 3.33Å; Y96-S100 PolarHBondContact O-N 3.37Å; Y96-S100 PolarHBondContact O-OG 3.22Å; L97-S100 PolarHBondContact O-N 2.75Å; S100-N102 VanDerWaalsContact C-N 3.32Å; S100-N102 PolarHBondContact O-N 3Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-S103 PolarHBondContact O-OG 2.8Å; S100-I104 WeakPolarHBondContact O-CB 3.12Å; S100-I104 VanDerWaalsContact O-CD1 3.26Å; S100-I104 WeakPolarHBondContact O-CD1 3.19Å; S100-I104 WeakPolarHBondContact O-CG1 3.05Å; S100-I104 PolarHBondContact O-N 3.16Å
101	I	41.8	Very low	38.3	Very low	8 Å²	8	50.6 Å²	50.6	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-43.7	177.2	-69.1	170.8	0	0	0	111	L97 I104 L105 L304 T305	L97-I101 HydrophobicContact CD1-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 4.14Å; L97-I101 HydrophobicContact CG-CD1 3.76Å; L97-I101 HydrophobicContact CG-CG1 4.47Å; L97-I101 WeakPolarHBondContact O-CB 3.41Å; L97-I101 WeakPolarHBondContact O-CG1 3.25Å; L97-I101 PolarHBondContact O-N 3.25Å; I101-I104 PolarHBondContact O-N 2.79Å; I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.12Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 VanDerWaalsContact O-CG 3.23Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 2.83Å; I101-L304 HydrophobicContact CD1-CD2 4Å; I101-L304 HydrophobicContact CD1-CG 4.05Å; I101-L304 HydrophobicContact CG1-CD2 3.97Å; I101-T305 HydrophobicContact CD1-CG2 3.81Å; I101-T305 HydrophobicContact CG2-CG2 4.18Å
102	N	40.8	Very low	38.3	Very low	46 Å²	46	47.1 Å²	47.1	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-42.9	177.4	-77.4	-21.6	0	0	0	112.1	T98 T99 S100 I104 L105 L106	T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-N 3.32Å; T98-N102 PolarHBondContact O-ND2 2.84Å; T99-N102 PolarHBondContact O-N 3.44Å; S100-N102 VanDerWaalsContact C-N 3.32Å; S100-N102 PolarHBondContact O-N 3Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.89Å; N102-L105 PolarHBondContact O-N 3.24Å; N102-L106 VanDerWaalsContact O-CB 3.29Å; N102-L106 WeakPolarHBondContact O-CB 3.26Å; N102-L106 WeakPolarHBondContact O-CD1 3.28Å; N102-L106 VanDerWaalsContact O-CG 3.23Å; N102-L106 WeakPolarHBondContact O-CG 3.36Å; N102-L106 PolarHBondContact O-N 2.7Å
103	S	40.3	Very low	38.4	Very low	52 Å²	52	44.3 Å²	44.3	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-38.3	175.4	72.6	0	0	0	0	111.8	T99 S100 L106 R107	T99-S103 WeakPolarHBondContact O-CB 3.3Å; T99-S103 PolarHBondContact O-N 3.45Å; T99-S103 PolarHBondContact O-OG 2.94Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-S103 PolarHBondContact O-OG 2.8Å; S103-L106 PolarHBondContact O-N 2.96Å; S103-R107 WeakPolarHBondContact O-CB 3.33Å; S103-R107 PolarHBondContact O-N 2.84Å
104	I	41	Very low	38.3	Very low	10 Å²	10	41.1 Å²	41.1	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-46.2	175.3	-66.5	157	0	0	0	110	S100 I101 N102 L106 R107 W108 Y343 M344 L347	S100-I104 WeakPolarHBondContact O-CB 3.12Å; S100-I104 VanDerWaalsContact O-CD1 3.26Å; S100-I104 WeakPolarHBondContact O-CD1 3.19Å; S100-I104 WeakPolarHBondContact O-CG1 3.05Å; S100-I104 PolarHBondContact O-N 3.16Å; I101-I104 PolarHBondContact O-N 2.79Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 2.89Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.47Å; I104-R107 CarbonylContact O-C 3.55Å; I104-R107 PolarHBondContact O-N 3.11Å; I104-W108 WeakPolarHBondContact O-CA 3.23Å; I104-W108 WeakPolarHBondContact O-CB 3.3Å; I104-W108 PolarHBondContact O-N 3.21Å; I104-Y343 HydrophobicContact CD1-CD1 4.45Å; I104-Y343 HydrophobicContact CD1-CE1 3.4Å; I104-Y343 VanDerWaalsContact CD1-CE1 3.4Å; I104-Y343 HydrophobicContact CG1-CE1 3.62Å; I104-M344 HydrophobicContact CD1-SD 4.18Å; I104-M344 HydrophobicContact CG2-SD 3.85Å; I104-L347 HydrophobicContact CD1-CD2 3.83Å
105	L	41.5	Very low	38	Very low	34 Å²	34	42 Å²	42	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-33.2	178.3	-73	173.9	0	0	0	112.2	I101 N102 L301	I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.12Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 VanDerWaalsContact O-CG 3.23Å; I101-L105 WeakPolarHBondContact O-CG 3.4Å; I101-L105 PolarHBondContact O-N 2.83Å; N102-L105 PolarHBondContact O-N 3.24Å; L105-L301 HydrophobicContact CD2-CD1 4.4Å
106	L	41.1	Very low	37.6	Very low	90 Å²	90	47.4 Å²	47.4	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-49	172.1	-77.4	162.5	0	0	0	110.6	N102 S103 I104 W108 H109	N102-L106 VanDerWaalsContact O-CB 3.29Å; N102-L106 WeakPolarHBondContact O-CB 3.26Å; N102-L106 WeakPolarHBondContact O-CD1 3.28Å; N102-L106 VanDerWaalsContact O-CG 3.23Å; N102-L106 WeakPolarHBondContact O-CG 3.36Å; N102-L106 PolarHBondContact O-N 2.7Å; S103-L106 PolarHBondContact O-N 2.96Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.47Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 3.16Å; L106-H109 PolarHBondContact O-N 2.91Å
107	R	37.8	Very low	37.2	Very low	91 Å²	91	51.3 Å²	51.3	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-70.4	-23.3	176.3	-82.6	-175.8	173.5	174.8	1.1	114.3	S103 I104 H109 E110 L111 D374	S103-R107 WeakPolarHBondContact O-CB 3.33Å; S103-R107 PolarHBondContact O-N 2.84Å; I104-R107 CarbonylContact O-C 3.55Å; I104-R107 PolarHBondContact O-N 3.11Å; R107-H109 PolarHBondContact O-N 3.08Å; R107-E110 CarbonylContact O-C 3.56Å; R107-E110 WeakPolarHBondContact O-CA 3.33Å; R107-E110 PolarHBondContact O-N 3.35Å; R107-L111 HydrophobicContact CB-CD1 4.37Å; R107-L111 PolarHBondContact O-N 2.9Å; R107-D374 IonicContact CZ-OD2 2.72Å; R107-D374 IonicContact NH1-OD2 3.55Å; R107-D374 PolarHBondContact NH1-OD2 3.06Å; R107-D374 IonicContact NH2-OD2 2.97Å; R107-D374 PolarHBondContact NH2-OD2 2.69Å
108	W	38.3	Very low	36.6	Very low	27 Å²	27	53.4 Å²	53.4	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-30.2	176	-174.8	62.1	0	0	0	110.8	I104 L106 V112 F297 Y298	I104-W108 WeakPolarHBondContact O-CA 3.23Å; I104-W108 WeakPolarHBondContact O-CB 3.3Å; I104-W108 PolarHBondContact O-N 3.21Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 3.16Å; W108-V112 HydrophobicContact CG-CG2 4.48Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; W108-F297 HydrophobicContact CZ2-CE1 4.24Å; W108-F297 AromaticContact NE1-CE1 3.72Å; W108-F297 AromaticContact NE1-CZ 3.79Å; W108-Y298 HydrophobicContact CH2-CE1 4.06Å; W108-Y298 VanDerWaalsContact CH2-OH 3.29Å; W108-Y298 WeakPolarHBondContact CH2-OH 3.29Å; W108-Y298 HydrophobicContact CZ2-CE1 4.18Å
109	H	37.7	Very low	36	Very low	40 Å²	40	56.6 Å²	56.6	19%	0.185	30%	0.3	C	S	.	.	H	α-helix	trans	-77.6	-20.4	170.3	-92.7	-28.6	0	0	0	114.5	L106 R107	L106-H109 PolarHBondContact O-N 2.91Å; R107-H109 PolarHBondContact O-N 3.08Å
110	E	35.5	Very low	35.5	Very low	99 Å²	99	62.2 Å²	62.2	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-88.2	-36.9	176.4	-60.8	-169.8	128	0	0	112.4	R107 R129	R107-E110 CarbonylContact O-C 3.56Å; R107-E110 WeakPolarHBondContact O-CA 3.33Å; R107-E110 PolarHBondContact O-N 3.35Å; E110-R129 IonicContact OE1-NH2 3.27Å; E110-R129 PolarHBondContact OE1-NH2 3.05Å
111	L	31.2	Very low	35.1	Very low	22 Å²	22	64.8 Å²	64.8	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-84.9	-31.6	-171.9	-87.1	161.4	0	0	0	115	R107 D113 S336 F371 T420	R107-L111 HydrophobicContact CB-CD1 4.37Å; R107-L111 PolarHBondContact O-N 2.9Å; L111-D113 PolarHBondContact O-N 2.89Å; L111-D113 VanDerWaalsContact O-N 3.14Å; L111-S336 WeakPolarHBondContact O-CB 3.46Å; L111-S336 PolarHBondContact O-OG 3.41Å; L111-F371 HydrophobicContact CD1-CD2 4.04Å; L111-F371 HydrophobicContact CD1-CE2 4.34Å; L111-F371 HydrophobicContact CD2-CB 4.04Å; L111-F371 HydrophobicContact CD2-CD1 4.26Å; L111-F371 HydrophobicContact CD2-CD2 3.3Å; L111-F371 HydrophobicContact CD2-CE2 3.7Å; L111-F371 HydrophobicContact CD2-CG 3.63Å; L111-F371 HydrophobicContact CD2-CZ 4.32Å; L111-F371 HydrophobicContact CG-CD2 4.33Å; L111-T420 HydrophobicContact CD2-CG2 3.46Å; L111-T420 VanDerWaalsContact CD2-CG2 3.46Å; L111-T420 HydrophobicContact CG-CG2 4.26Å
112	V	33.1	Very low	34.9	Very low	41 Å²	41	69.9 Å²	69.9	25%	0.248	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0	-177.7	178.9	0	0	0	0	112.2	W108 L340	W108-V112 HydrophobicContact CG-CG2 4.48Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; V112-L340 HydrophobicContact CG2-CD2 4.42Å
113	D	36.4	Very low	34.6	Very low	13 Å²	13	69.6 Å²	69.6	7%	0.07	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.8	-163.9	-79.6	4.8	0	0	0	114.2	L111 C115 C126 T127 R209	L111-D113 PolarHBondContact O-N 2.89Å; L111-D113 VanDerWaalsContact O-N 3.14Å; D113-C115 PolarHBondContact O-N 3.39Å; D113-C126 HydrophobicContact CB-CB 4.17Å; D113-C126 VanDerWaalsContact CG-CA 3.41Å; D113-C126 WeakPolarHBondContact O-CB 3.32Å; D113-C126 WeakPolarHBondContact OD1-CA 3.4Å; D113-T127 VanDerWaalsContact CB-N 3.28Å; D113-T127 PolarHBondContact OD2-N 3.08Å; D113-T127 PolarHBondContact OD2-OG1 3.04Å; D113-R209 IonicContact OD1-NH2 3.47Å; D113-R209 PolarHBondContact OD1-NH2 2.85Å; D113-R209 VanDerWaalsContact OD1-NH2 3.14Å; D113-R209 IonicContact OD2-NH2 3.63Å; D113-R209 PolarHBondContact OD2-NH2 2.86Å
114	E	33.1	Very low	34.8	Very low	36 Å²	36	70.5 Å²	70.5	17%	0.168	37%	0.37	C	S	.	.			trans	-71.1	107.1	170.7	-72.3	178.1	172.3	0	0	111.7	Y116 S336 E416	E114-Y116 PolarHBondContact O-N 2.99Å; E114-Y116 VanDerWaalsContact O-N 3.15Å; E114-S336 WeakPolarHBondContact OE2-CB 3.43Å; E114-E416 WeakPolarHBondContact CB-OE1 3.42Å; E114-E416 HydrophobicContact CG-CG 3.72Å; E114-E416 WeakPolarHBondContact CG-OE1 3.37Å; E114-E416 WeakPolarHBondContact OE1-CB 2.99Å; E114-E416 VanDerWaalsContact OE1-CD 3.29Å; E114-E416 WeakPolarHBondContact OE1-CG 3.3Å; E114-E416 VanDerWaalsContact OE2-OE1 3.13Å
115	C	32	Very low	34.8	Very low	68 Å²	68	71.4 Å²	71.4	46%	0.459	38%	0.376	S	S	.	.			trans	-70.3	98.7	178.8	-81.9	0	0	0	0	112.1	D113 C126	D113-C115 PolarHBondContact O-N 3.39Å; C115-C126 WeakPolarHBondContact SG-CB 3.01Å
116	Y	30.1	Very low	34.9	Very low	161 Å²	161	69.9 Å²	69.9	63%	0.631	37%	0.367	S	S	*	.			trans	-91.7	110.4	156.7	-104.5	-90.3	0	0	0	110.9	E114 A118	E114-Y116 PolarHBondContact O-N 2.99Å; E114-Y116 VanDerWaalsContact O-N 3.15Å; Y116-A118 PolarHBondContact O-N 3.3Å
117	L	28.8	Very low	34.9	Very low	114 Å²	114	66.8 Å²	66.8	60%	0.597	35%	0.353	S	S	*	.			trans	-72.2	58.7	166.4	-86.1	161.8	0	0	0	110.8	V119 F144	L117-V119 PolarHBondContact O-N 3.18Å; L117-F144 HydrophobicContact CD1-CE2 4.34Å; L117-F144 HydrophobicContact CD1-CZ 3.94Å; L117-F144 HydrophobicContact CD2-CE1 4.39Å; L117-F144 HydrophobicContact CD2-CZ 3.62Å; L117-F144 HydrophobicContact CG-CZ 4.39Å
118	A	27.3	Very low	34.9	Very low	59 Å²	59	64 Å²	64	49%	0.488	34%	0.344	S	S	.	.			trans	-80.3	108.1	167.3	0	0	0	0	0	108	Y116 K120	Y116-A118 PolarHBondContact O-N 3.3Å; A118-K120 PolarHBondContact O-N 3.27Å
119	V	28.3	Very low	34.9	Very low	105 Å²	105	67 Å²	67	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	13.6	-169.6	177.3	0	0	0	0	115.7	L117	L117-V119 PolarHBondContact O-N 3.18Å
120	K	30	Very low	34.8	Very low	179 Å²	179	68.1 Å²	68.1	78%	0.778	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	3.5	-172.2	-76.1	-170.6	176.9	178.5	0	119	A118 F155	A118-K120 PolarHBondContact O-N 3.27Å; K120-F155 VanDerWaalsContact C-CZ 3.46Å
121	A	32.1	Very low	35	Very low	66 Å²	66	69.1 Å²	69.1	55%	0.545	38%	0.376	S	S	.	.	S	Bend	trans	-141.7	145.7	165.5	0	0	0	0	0	111.3	F155	A121-F155 VanDerWaalsContact CA-CZ 3.46Å
122	I	37.1	Very low	35.7	Very low	114 Å²	114	73.3 Å²	73.3	59%	0.585	39%	0.391	S	S	*	.			trans	-14.6	121	177.6	-60.2	161.9	0	0	0	113.3	P124 F155 L157	I122-P124 WeakPolarHBondContact O-CD 3.38Å; I122-F155 HydrophobicContact CG1-CE1 4.48Å; I122-F155 VanDerWaalsContact N-CE1 3.34Å; I122-L157 HydrophobicContact CG1-CD2 4.45Å
123	I	34.4	Very low	36.7	Very low	41 Å²	41	80.2 Å²	80.2	21%	0.21	42%	0.42	C	S	.	.			trans	-57.4	113.7	173.6	-54.5	173.4	0	0	0	108	L148 I168 I171	I123-L148 HydrophobicContact CD1-CD1 3.6Å; I123-L148 HydrophobicContact CD1-CD2 3.9Å; I123-L148 HydrophobicContact CD1-CG 4.35Å; I123-L148 HydrophobicContact CG1-CD2 4.34Å; I123-I168 HydrophobicContact CD1-CG1 4.22Å; I123-I168 HydrophobicContact CD1-CG2 4Å; I123-I171 HydrophobicContact CB-CG2 4.43Å; I123-I171 HydrophobicContact CG2-CG2 3.88Å
124	P	44.8	Very low	37.5	Very low	70 Å²	70	86.2 Å²	86.2	46%	0.455	45%	0.446	S	S	.	.			trans	-71.3	151.3	175.1	24.8	-23.5	0	0	0	110.6	I122 C126 N175	I122-P124 WeakPolarHBondContact O-CD 3.38Å; P124-C126 PolarHBondContact O-N 3.22Å; P124-N175 PolarHBondContact O-ND2 2.92Å
125	L	39.6	Very low	38.4	Very low	30 Å²	30	87.8 Å²	87.8	16%	0.157	46%	0.455	C	S	.	.			trans	-67.4	120.1	166.9	-87	162.2	0	0	0	107.7	I171 S174 N175 L202 E205 R209	L125-I171 HydrophobicContact CD2-CB 4.27Å; L125-I171 HydrophobicContact CD2-CG1 4.29Å; L125-I171 HydrophobicContact CD2-CG2 4.15Å; L125-I171 HydrophobicContact CG-CG1 4.21Å; L125-I171 HydrophobicContact CG-CG2 4.16Å; L125-S174 VanDerWaalsContact CD2-CB 3.48Å; L125-N175 VanDerWaalsContact CA-OD1 3.23Å; L125-N175 WeakPolarHBondContact CA-OD1 3.35Å; L125-L202 HydrophobicContact CD1-CD1 3.88Å; L125-E205 HydrophobicContact CD1-CB 3.8Å; L125-E205 HydrophobicContact CD1-CG 3.52Å; L125-R209 PolarHBondContact O-NH2 3.03Å
126	C	44	Very low	39.9	Very low	1 Å²	1	85.8 Å²	85.8	1%	0.007	44%	0.441	C	S	.	.			trans	-148.7	131.2	-172.5	-62.5	0	0	0	0	112.8	D113 C115 P124 I128 N175	D113-C126 HydrophobicContact CB-CB 4.17Å; D113-C126 VanDerWaalsContact CG-CA 3.41Å; D113-C126 WeakPolarHBondContact O-CB 3.32Å; D113-C126 WeakPolarHBondContact OD1-CA 3.4Å; C115-C126 WeakPolarHBondContact SG-CB 3.01Å; P124-C126 PolarHBondContact O-N 3.22Å; C126-I128 PolarHBondContact O-N 3.17Å; C126-N175 PolarHBondContact N-ND2 3.31Å; C126-N175 VanDerWaalsContact N-ND2 3.2Å; C126-N175 PolarHBondContact N-OD1 2.87Å; C126-N175 WeakPolarHBondContact O-CA 3.26Å; C126-N175 WeakPolarHBondContact O-CB 3.46Å; C126-N175 PolarHBondContact O-ND2 3Å; C126-N175 PolarHBondContact O-OD1 3.39Å; C126-N175 VanDerWaalsContact O-OD1 3.09Å
127	T	41	Very low	41.9	Very low	26 Å²	26	80.9 Å²	80.9	16%	0.16	43%	0.426	C	S	.	.			trans	-68.1	121.8	171.8	35.6	0	0	0	0	114.6	D113 N175 K177	D113-T127 VanDerWaalsContact CB-N 3.28Å; D113-T127 PolarHBondContact OD2-N 3.08Å; D113-T127 PolarHBondContact OD2-OG1 3.04Å; T127-N175 CarbonylContact C-O 3.57Å; T127-N175 VanDerWaalsContact CA-O 3.23Å; T127-N175 WeakPolarHBondContact CA-O 3.48Å; T127-K177 HydrophobicContact CG2-CD 4.4Å; T127-K177 HydrophobicContact CG2-CG 3.7Å
128	I	38.6	Very low	43.9	Very low	32 Å²	32	79.3 Å²	79.3	16%	0.164	42%	0.418	C	S	.	.			trans	-88.8	108.7	175	-60.4	164.6	0	0	0	108.7	C126 L135 N175	C126-I128 PolarHBondContact O-N 3.17Å; I128-L135 HydrophobicContact CG2-CD1 3.92Å; I128-N175 HydrophobicContact CD1-CB 4.02Å; I128-N175 HydrophobicContact CG1-CB 4.17Å; I128-N175 PolarHBondContact N-O 2.84Å
129	R	38.6	Very low	46	Very low	90 Å²	90	83.2 Å²	83.2	34%	0.34	43%	0.426	S	S	.	.			trans	-96.5	-39.4	179.2	-79.6	171.1	179	-161.3	-0	113.5	E110 E419	E110-R129 IonicContact OE1-NH2 3.27Å; E110-R129 PolarHBondContact OE1-NH2 3.05Å; R129-E419 VanDerWaalsContact CB-OE1 3.25Å; R129-E419 WeakPolarHBondContact CB-OE1 3.39Å; R129-E419 WeakPolarHBondContact CD-OE1 3.2Å; R129-E419 WeakPolarHBondContact CD-OE2 3.19Å; R129-E419 IonicContact CZ-OE2 3.61Å; R129-E419 VanDerWaalsContact CZ-OE2 3.26Å; R129-E419 IonicContact NE-OE2 2.67Å; R129-E419 PolarHBondContact NE-OE2 2.61Å; R129-E419 IonicContact NH1-OE1 3.41Å; R129-E419 IonicContact NH1-OE2 2.94Å; R129-E419 PolarHBondContact NH1-OE2 3.12Å
130	S	35	Very low	48	Very low	64 Å²	64	79.4 Å²	79.4	45%	0.448	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	144.2	-179.5	56.5	0	0	0	0	112.9	R132	S130-R132 PolarHBondContact O-N 3.19Å; S130-R132 VanDerWaalsContact O-N 3.08Å
131	N	40.2	Very low	49.6	Very low	120 Å²	120	71.2 Å²	71.2	64%	0.642	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	27	-174.4	-72.3	-20.5	0	0	0	114	E133 F134 L135	N131-E133 VanDerWaalsContact C-N 3.3Å; N131-E133 PolarHBondContact O-N 3.46Å; N131-F134 HydrophobicContact CB-CB 4.33Å; N131-F134 CarbonylContact O-C 3.52Å; N131-F134 WeakPolarHBondContact O-CA 3.29Å; N131-F134 PolarHBondContact O-N 3.37Å; N131-L135 HydrophobicContact CB-CD1 4.02Å; N131-L135 HydrophobicContact CB-CG 4.13Å; N131-L135 PolarHBondContact O-N 3.25Å
132	R	45.3	Very low	51.4	Low	110 Å²	110	73.9 Å²	73.9	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-56.2	-42.6	-173.9	-166.8	177.1	170.9	-150.5	-10.8	112	S130 F134 C136 C176	S130-R132 PolarHBondContact O-N 3.19Å; S130-R132 VanDerWaalsContact O-N 3.08Å; R132-F134 VanDerWaalsContact C-N 3.28Å; R132-F134 PolarHBondContact O-N 2.94Å; R132-C136 HydrophobicContact CG-CB 4.19Å; R132-C136 VanDerWaalsContact CG-SG 3.59Å; R132-C136 WeakPolarHBondContact O-CA 3.04Å; R132-C136 WeakPolarHBondContact O-CB 2.99Å; R132-C136 PolarHBondContact O-N 3.08Å; R132-C136 PolarHBondContact O-SG 3.31Å; R132-C176 VanDerWaalsContact CZ-O 3.26Å; R132-C176 PolarHBondContact NE-O 2.84Å; R132-C176 PolarHBondContact NH2-O 3Å
133	E	54.2	Low	52.8	Low	185 Å²	185	72.6 Å²	72.6	86%	0.864	36%	0.363	S	S	*	.	H	α-helix	trans	-60.9	-36.5	175.3	-68.8	-171.6	160.1	0	0	113.1	N131 N137	N131-E133 VanDerWaalsContact C-N 3.3Å; N131-E133 PolarHBondContact O-N 3.46Å; E133-N137 WeakPolarHBondContact O-CB 3.41Å
134	F	54.1	Low	54.2	Low	139 Å²	139	74.4 Å²	74.4	61%	0.61	37%	0.369	S	S	*	.	H	α-helix	trans	-78.8	-47.6	179.7	-173.3	-96.4	0	0	0	112	N131 R132 N137 S140	N131-F134 HydrophobicContact CB-CB 4.33Å; N131-F134 CarbonylContact O-C 3.52Å; N131-F134 WeakPolarHBondContact O-CA 3.29Å; N131-F134 PolarHBondContact O-N 3.37Å; R132-F134 VanDerWaalsContact C-N 3.28Å; R132-F134 PolarHBondContact O-N 2.94Å; F134-N137 VanDerWaalsContact O-CG 3.31Å; F134-N137 PolarHBondContact O-ND2 3.27Å; F134-N137 VanDerWaalsContact O-ND2 3.11Å; F134-N137 PolarHBondContact O-OD1 3.3Å; F134-S140 VanDerWaalsContact O-CB 3.28Å; F134-S140 WeakPolarHBondContact O-CB 3.16Å; F134-S140 PolarHBondContact O-OG 3.15Å
135	L	51.3	Low	55.1	Low	70 Å²	70	71.2 Å²	71.2	37%	0.366	35%	0.348	S	S	.	.	H	α-helix	trans	-77.9	-31.1	-176.2	-69.2	171.9	0	0	0	113.2	I128 N131	I128-L135 HydrophobicContact CG2-CD1 3.92Å; N131-L135 HydrophobicContact CB-CD1 4.02Å; N131-L135 HydrophobicContact CB-CG 4.13Å; N131-L135 PolarHBondContact O-N 3.25Å
136	C	63.9	Low	56.3	Low	25 Å²	25	75.9 Å²	75.9	17%	0.169	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.3	-175.3	-57.4	0	0	0	0	113.8	R132 C176	R132-C136 HydrophobicContact CG-CB 4.19Å; R132-C136 VanDerWaalsContact CG-SG 3.59Å; R132-C136 WeakPolarHBondContact O-CA 3.04Å; R132-C136 WeakPolarHBondContact O-CB 2.99Å; R132-C136 PolarHBondContact O-N 3.08Å; R132-C136 PolarHBondContact O-SG 3.31Å; C136-C176 VanDerWaalsContact CA-SG 3.59Å; C136-C176 HydrophobicContact CB-CB 3.54Å; C136-C176 WeakPolarHBondContact CB-SG 3.46Å; C136-C176 WeakPolarHBondContact SG-CB 3.47Å; C136-C176 CovalentContact SG-SG 2.02Å; C136-C176 PolarHBondContact SG-SG 3.41Å
137	N	71.2	Confident	57	Low	59 Å²	59	80.7 Å²	80.7	32%	0.316	40%	0.395	S	S	.	.	S	Bend	trans	-71.2	150.4	168	69.5	33.8	0	0	0	110.6	E133 F134 E139 S140 I141	E133-N137 WeakPolarHBondContact O-CB 3.41Å; F134-N137 VanDerWaalsContact O-CG 3.31Å; F134-N137 PolarHBondContact O-ND2 3.27Å; F134-N137 VanDerWaalsContact O-ND2 3.11Å; F134-N137 PolarHBondContact O-OD1 3.3Å; N137-E139 PolarHBondContact O-N 3.1Å; N137-E139 VanDerWaalsContact O-N 3.14Å; N137-S140 PolarHBondContact O-N 3.16Å; N137-S140 WeakPolarHBondContact OD1-CA 3.49Å; N137-S140 WeakPolarHBondContact OD1-CB 3.05Å; N137-S140 PolarHBondContact OD1-N 3.04Å; N137-S140 PolarHBondContact OD1-OG 3.34Å; N137-I141 WeakPolarHBondContact O-CG1 3Å; N137-I141 PolarHBondContact O-N 3.03Å
138	D	71.8	Confident	57.7	Low	80 Å²	80	81.3 Å²	81.3	43%	0.428	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-32.5	-172.5	-86.1	18.6	0	0	0	113.3	K142 R181	D138-K142 WeakPolarHBondContact O-CG 3.02Å; D138-K142 PolarHBondContact O-N 3.38Å; D138-R181 IonicContact OD1-CZ 3.16Å; D138-R181 IonicContact OD1-NH1 3.38Å; D138-R181 PolarHBondContact OD1-NH1 2.97Å; D138-R181 IonicContact OD1-NH2 3.74Å; D138-R181 IonicContact OD2-CZ 2.74Å; D138-R181 IonicContact OD2-NH1 3.81Å; D138-R181 PolarHBondContact OD2-NH1 3.29Å; D138-R181 IonicContact OD2-NH2 3.39Å; D138-R181 PolarHBondContact OD2-NH2 3.41Å
139	E	71.6	Confident	58.6	Low	141 Å²	141	81.7 Å²	81.7	66%	0.659	40%	0.399	S	S	*	.	H	α-helix	trans	-74.4	-41.7	-179	-163.2	170.3	-167.9	0	0	111.9	N137 K142 N143	N137-E139 PolarHBondContact O-N 3.1Å; N137-E139 VanDerWaalsContact O-N 3.14Å; E139-K142 PolarHBondContact O-N 2.86Å; E139-N143 WeakPolarHBondContact O-CB 3.19Å; E139-N143 VanDerWaalsContact O-CG 3.22Å; E139-N143 PolarHBondContact O-N 3.14Å; E139-N143 PolarHBondContact O-ND2 3.27Å
140	S	68.4	Low	59.4	Low	26 Å²	26	80.2 Å²	80.2	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-69.2	-39.8	176.9	-60.4	0	0	0	0	111.6	F134 N137 K142 N143 F144	F134-S140 VanDerWaalsContact O-CB 3.28Å; F134-S140 WeakPolarHBondContact O-CB 3.16Å; F134-S140 PolarHBondContact O-OG 3.15Å; N137-S140 PolarHBondContact O-N 3.16Å; N137-S140 WeakPolarHBondContact OD1-CA 3.49Å; N137-S140 WeakPolarHBondContact OD1-CB 3.05Å; N137-S140 PolarHBondContact OD1-N 3.04Å; N137-S140 PolarHBondContact OD1-OG 3.34Å; S140-K142 VanDerWaalsContact C-N 3.31Å; S140-K142 PolarHBondContact O-N 3.25Å; S140-N143 PolarHBondContact O-N 3.3Å; S140-F144 WeakPolarHBondContact O-CB 3.35Å; S140-F144 PolarHBondContact O-N 3.14Å
141	I	65.6	Low	60	Low	6 Å²	6	85.2 Å²	85.2	3%	0.031	43%	0.426	C	S	.	.	H	α-helix	trans	-59	-45.3	175.5	-64.5	177.2	0	0	0	110.3	N137 S145 E169 I172 L173	N137-I141 WeakPolarHBondContact O-CG1 3Å; N137-I141 PolarHBondContact O-N 3.03Å; I141-S145 WeakPolarHBondContact O-CB 3.46Å; I141-S145 PolarHBondContact O-N 3.4Å; I141-S145 PolarHBondContact O-OG 2.93Å; I141-E169 HydrophobicContact CG2-CG 4.19Å; I141-I172 HydrophobicContact CB-CG2 4.39Å; I141-I172 HydrophobicContact CD1-CG2 4.09Å; I141-I172 HydrophobicContact CG1-CG2 3.75Å; I141-I172 HydrophobicContact CG2-CB 4.33Å; I141-I172 HydrophobicContact CG2-CD1 4.39Å; I141-I172 HydrophobicContact CG2-CG2 4Å; I141-L173 HydrophobicContact CD1-CD2 3.83Å; I141-L173 HydrophobicContact CD1-CG 4.47Å
142	K	69.3	Low	60.2	Low	123 Å²	123	80.4 Å²	80.4	54%	0.535	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-45.8	177	-77.2	179.8	179.7	179	0	112.7	D138 E139 S140 F144 S145 H146	D138-K142 WeakPolarHBondContact O-CG 3.02Å; D138-K142 PolarHBondContact O-N 3.38Å; E139-K142 PolarHBondContact O-N 2.86Å; S140-K142 VanDerWaalsContact C-N 3.31Å; S140-K142 PolarHBondContact O-N 3.25Å; K142-F144 VanDerWaalsContact C-N 3.3Å; K142-F144 PolarHBondContact O-N 3.28Å; K142-S145 PolarHBondContact O-N 3.3Å; K142-S145 PolarHBondContact O-OG 3.4Å; K142-H146 PolarHBondContact O-N 3.34Å
143	N	66.2	Low	60.2	Low	87 Å²	87	84.8 Å²	84.8	47%	0.465	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-39.6	179	-75.2	-18.9	0	0	0	111.2	E139 S140 N147	E139-N143 WeakPolarHBondContact O-CB 3.19Å; E139-N143 VanDerWaalsContact O-CG 3.22Å; E139-N143 PolarHBondContact O-N 3.14Å; E139-N143 PolarHBondContact O-ND2 3.27Å; S140-N143 PolarHBondContact O-N 3.3Å; N143-N147 VanDerWaalsContact O-CB 3.26Å; N143-N147 WeakPolarHBondContact O-CB 3.34Å; N143-N147 VanDerWaalsContact O-CG 3.23Å; N143-N147 PolarHBondContact O-N 3.19Å; N143-N147 PolarHBondContact O-ND2 3.39Å
144	F	63.8	Low	59.4	Low	79 Å²	79	82.6 Å²	82.6	35%	0.346	42%	0.417	S	S	.	.	H	α-helix	trans	-68.4	-45.2	178.5	-167.1	-102.8	0	0	0	111.7	L117 S140 K142 H146 N147 L148 I172	L117-F144 HydrophobicContact CD1-CE2 4.34Å; L117-F144 HydrophobicContact CD1-CZ 3.94Å; L117-F144 HydrophobicContact CD2-CE1 4.39Å; L117-F144 HydrophobicContact CD2-CZ 3.62Å; L117-F144 HydrophobicContact CG-CZ 4.39Å; S140-F144 WeakPolarHBondContact O-CB 3.35Å; S140-F144 PolarHBondContact O-N 3.14Å; K142-F144 VanDerWaalsContact C-N 3.3Å; K142-F144 PolarHBondContact O-N 3.28Å; F144-H146 PolarHBondContact O-N 3.23Å; F144-N147 PolarHBondContact O-N 2.94Å; F144-L148 HydrophobicContact CD1-CD1 3.6Å; F144-L148 HydrophobicContact CE1-CD1 3.16Å; F144-L148 HydrophobicContact CE2-CD1 4.47Å; F144-L148 HydrophobicContact CG-CD1 4.43Å; F144-L148 HydrophobicContact CZ-CD1 3.68Å; F144-L148 WeakPolarHBondContact O-CB 3.12Å; F144-L148 PolarHBondContact O-N 3.49Å; F144-I172 HydrophobicContact CD1-CD1 3.76Å; F144-I172 HydrophobicContact CE1-CD1 4.4Å
145	S	63	Low	58.6	Low	2 Å²	2	79 Å²	79	1%	0.014	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-43.1	177.1	66.8	0	0	0	0	111.8	I141 K142 L148 I149	I141-S145 WeakPolarHBondContact O-CB 3.46Å; I141-S145 PolarHBondContact O-N 3.4Å; I141-S145 PolarHBondContact O-OG 2.93Å; K142-S145 PolarHBondContact O-N 3.3Å; K142-S145 PolarHBondContact O-OG 3.4Å; S145-L148 PolarHBondContact O-N 3.08Å; S145-I149 VanDerWaalsContact O-CG1 3.32Å; S145-I149 WeakPolarHBondContact O-CG1 3.21Å; S145-I149 PolarHBondContact O-N 2.9Å
146	H	65.2	Low	58.1	Low	128 Å²	128	79.6 Å²	79.6	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-64	-45.1	173.9	-96.5	-15.1	0	0	0	113.3	K142 F144 L148 I149 G150	K142-H146 PolarHBondContact O-N 3.34Å; F144-H146 PolarHBondContact O-N 3.23Å; H146-L148 VanDerWaalsContact C-N 3.32Å; H146-L148 PolarHBondContact O-N 3.45Å; H146-I149 PolarHBondContact O-N 2.74Å; H146-G150 PolarHBondContact O-N 3.15Å
147	N	59.8	Low	57.4	Low	103 Å²	103	82.6 Å²	82.6	55%	0.551	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-37.9	179	-81	-29.7	0	0	0	112.5	N143 F144 G150 K151	N143-N147 VanDerWaalsContact O-CB 3.26Å; N143-N147 WeakPolarHBondContact O-CB 3.34Å; N143-N147 VanDerWaalsContact O-CG 3.23Å; N143-N147 PolarHBondContact O-N 3.19Å; N143-N147 PolarHBondContact O-ND2 3.39Å; F144-N147 PolarHBondContact O-N 2.94Å; N147-G150 PolarHBondContact O-N 3.3Å; N147-K151 WeakPolarHBondContact O-CG 3.3Å; N147-K151 PolarHBondContact O-N 3.16Å
148	L	55.5	Low	56.6	Low	38 Å²	38	82.4 Å²	82.4	20%	0.199	42%	0.424	C	S	.	.	H	α-helix	trans	-63.7	-47	177.3	-117.2	141.6	0	0	0	111.3	I123 F144 S145 H146 G150 K151 A152	I123-L148 HydrophobicContact CD1-CD1 3.6Å; I123-L148 HydrophobicContact CD1-CD2 3.9Å; I123-L148 HydrophobicContact CD1-CG 4.35Å; I123-L148 HydrophobicContact CG1-CD2 4.34Å; F144-L148 HydrophobicContact CD1-CD1 3.6Å; F144-L148 HydrophobicContact CE1-CD1 3.16Å; F144-L148 HydrophobicContact CE2-CD1 4.47Å; F144-L148 HydrophobicContact CG-CD1 4.43Å; F144-L148 HydrophobicContact CZ-CD1 3.68Å; F144-L148 WeakPolarHBondContact O-CB 3.12Å; F144-L148 PolarHBondContact O-N 3.49Å; S145-L148 PolarHBondContact O-N 3.08Å; H146-L148 VanDerWaalsContact C-N 3.32Å; H146-L148 PolarHBondContact O-N 3.45Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.06Å; L148-K151 PolarHBondContact O-N 3.38Å; L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.25Å
149	I	57.5	Low	55.8	Low	41 Å²	41	81.3 Å²	81.3	21%	0.21	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176.9	-67.2	168.9	0	0	0	110.7	S145 H146 K151 A152 V161 T165 I168	S145-I149 VanDerWaalsContact O-CG1 3.32Å; S145-I149 WeakPolarHBondContact O-CG1 3.21Å; S145-I149 PolarHBondContact O-N 2.9Å; H146-I149 PolarHBondContact O-N 2.74Å; I149-K151 PolarHBondContact O-N 2.86Å; I149-A152 CarbonylContact O-C 3.57Å; I149-A152 PolarHBondContact O-N 3.07Å; I149-V161 HydrophobicContact CD1-CG1 4.41Å; I149-V161 HydrophobicContact CG2-CG1 3.92Å; I149-T165 HydrophobicContact CD1-CG2 4.19Å; I149-T165 WeakPolarHBondContact CD1-OG1 3.48Å; I149-I168 HydrophobicContact CD1-CD1 4.3Å; I149-I168 HydrophobicContact CG1-CD1 3.92Å
150	G	54.8	Low	55.6	Low	59 Å²	59	78.2 Å²	78.2	61%	0.608	42%	0.42	S	S	*	.	H	α-helix	trans	-63.8	-38.9	178.3	0	0	0	0	0	113.7	H146 N147 L148	H146-G150 PolarHBondContact O-N 3.15Å; N147-G150 PolarHBondContact O-N 3.3Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.06Å
151	K	47.9	Very low	55.5	Low	169 Å²	169	81 Å²	81	74%	0.735	44%	0.436	S	S	*	.	H	α-helix	trans	-76.3	-29.3	175.5	-74.9	-177.6	177.9	178.9	0	112.5	N147 L148 I149 K153	N147-K151 WeakPolarHBondContact O-CG 3.3Å; N147-K151 PolarHBondContact O-N 3.16Å; L148-K151 PolarHBondContact O-N 3.38Å; I149-K151 PolarHBondContact O-N 2.86Å; K151-K153 PolarHBondContact O-N 3.49Å
152	A	43.6	Very low	55.7	Low	18 Å²	18	84 Å²	84	15%	0.149	46%	0.457	C	S	.	.			trans	-95.6	70.5	-173.8	0	0	0	0	0	112.6	L148 I149 I154 F155	L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.25Å; I149-A152 CarbonylContact O-C 3.57Å; I149-A152 PolarHBondContact O-N 3.07Å; A152-I154 PolarHBondContact O-N 3.41Å; A152-F155 HydrophobicContact CB-CB 3.72Å; A152-F155 HydrophobicContact CB-CD2 3.71Å; A152-F155 HydrophobicContact CB-CG 4.13Å; A152-F155 PolarHBondContact O-N 2.96Å
153	K	45.3	Very low	55.9	Low	202 Å²	202	78.6 Å²	78.6	88%	0.878	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-0.3	164.8	-81	-175	175.9	-179.2	0	114.2	K151	K151-K153 PolarHBondContact O-N 3.49Å
154	I	37.6	Very low	55.9	Low	139 Å²	139	74.8 Å²	74.8	71%	0.713	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	4.7	-174.8	-47.8	177.4	0	0	0	112.1	A152 P156	A152-I154 PolarHBondContact O-N 3.41Å; I154-P156 VanDerWaalsContact O-CD 3.28Å; I154-P156 WeakPolarHBondContact O-CD 3.45Å
155	F	37.7	Very low	56.2	Low	65 Å²	65	71.9 Å²	71.9	29%	0.285	40%	0.403	S	S	.	.			trans	-110.4	51.9	178.8	-85.5	-88.4	0	0	0	116.9	K120 A121 I122 A152 L157	K120-F155 VanDerWaalsContact C-CZ 3.46Å; A121-F155 VanDerWaalsContact CA-CZ 3.46Å; I122-F155 HydrophobicContact CG1-CE1 4.48Å; I122-F155 VanDerWaalsContact N-CE1 3.34Å; A152-F155 HydrophobicContact CB-CB 3.72Å; A152-F155 HydrophobicContact CB-CD2 3.71Å; A152-F155 HydrophobicContact CB-CG 4.13Å; A152-F155 PolarHBondContact O-N 2.96Å; F155-L157 PolarHBondContact O-N 3.48Å
156	P	41	Very low	56.9	Low	82 Å²	82	74.9 Å²	74.9	53%	0.532	42%	0.418	S	S	.	.			trans	-73.4	95.3	157.8	25.3	-19	0	0	0	108.7	I154 T158 G159 D164	I154-P156 VanDerWaalsContact O-CD 3.28Å; I154-P156 WeakPolarHBondContact O-CD 3.45Å; P156-T158 PolarHBondContact O-N 3.39Å; P156-G159 VanDerWaalsContact CB-N 3.33Å; P156-D164 WeakPolarHBondContact CA-OD2 3.43Å
157	L	49.5	Very low	57.2	Low	88 Å²	88	69.2 Å²	69.2	46%	0.461	39%	0.392	S	S	.	.	S	Bend	trans	-58.5	-32.4	165.9	-87.4	163.4	0	0	0	109.5	I122 F155 D164 L167	I122-L157 HydrophobicContact CG1-CD2 4.45Å; F155-L157 PolarHBondContact O-N 3.48Å; L157-D164 WeakPolarHBondContact CB-OD1 3.28Å; L157-D164 PolarHBondContact N-OD2 2.85Å; L157-L167 HydrophobicContact CB-CD1 4.32Å; L157-L167 HydrophobicContact CD1-CD1 4.32Å
158	T	52.8	Low	57.6	Low	54 Å²	54	65.1 Å²	65.1	33%	0.331	37%	0.37	S	S	.	.	S	Bend	trans	-128.7	-16.5	-177.1	67.8	0	0	0	0	113.2	P156 N160 V163 D164 L167 Y199	P156-T158 PolarHBondContact O-N 3.39Å; T158-N160 PolarHBondContact OG1-N 3.32Å; T158-N160 VanDerWaalsContact OG1-N 3.14Å; T158-N160 PolarHBondContact OG1-O 3.45Å; T158-V163 HydrophobicContact CG2-CG1 4.08Å; T158-D164 WeakPolarHBondContact CB-OD1 3.35Å; T158-D164 VanDerWaalsContact CG2-OD1 3.26Å; T158-D164 WeakPolarHBondContact CG2-OD1 3.3Å; T158-D164 PolarHBondContact N-OD1 2.98Å; T158-D164 PolarHBondContact OG1-OD1 3.45Å; T158-L167 HydrophobicContact CG2-CD1 3.83Å; T158-Y199 HydrophobicContact CG2-CE1 4.06Å; T158-Y199 WeakPolarHBondContact CG2-OH 3.29Å
159	G	56.7	Low	58.5	Low	58 Å²	58	64.5 Å²	64.5	60%	0.598	37%	0.366	S	S	*	.	S	Bend	trans	89	-14.3	-170.1	0	0	0	0	0	113.2	P156	P156-G159 VanDerWaalsContact CB-N 3.33Å
160	N	65.7	Low	59.2	Low	75 Å²	75	62.6 Å²	62.6	40%	0.401	36%	0.356	S	S	.	.			trans	-106.2	106.1	-179.1	-173.5	-18.8	0	0	0	110.2	T158 S162 V163 D164	T158-N160 PolarHBondContact OG1-N 3.32Å; T158-N160 VanDerWaalsContact OG1-N 3.14Å; T158-N160 PolarHBondContact OG1-O 3.45Å; N160-S162 PolarHBondContact O-N 3.02Å; N160-S162 VanDerWaalsContact O-N 3.08Å; N160-S162 PolarHBondContact OD1-N 3.04Å; N160-S162 VanDerWaalsContact OD1-N 3.12Å; N160-S162 PolarHBondContact OD1-OG 3.49Å; N160-V163 HydrophobicContact CB-CB 4.27Å; N160-V163 HydrophobicContact CB-CG2 4.11Å; N160-V163 PolarHBondContact O-N 3.5Å; N160-D164 PolarHBondContact O-N 2.8Å
161	V	67.9	Low	59.8	Low	86 Å²	86	60.4 Å²	60.4	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-49.5	-39.3	-179.3	176.9	0	0	0	0	112.5	I149 T165	I149-V161 HydrophobicContact CD1-CG1 4.41Å; I149-V161 HydrophobicContact CG2-CG1 3.92Å; V161-T165 WeakPolarHBondContact O-CB 3.44Å; V161-T165 PolarHBondContact O-N 3.05Å; V161-T165 PolarHBondContact O-OG1 3.37Å
162	S	69.8	Low	60.6	Low	67 Å²	67	52.9 Å²	52.9	47%	0.469	30%	0.298	S	S	.	.	H	α-helix	trans	-66	-44.5	-179.8	66.6	0	0	0	0	112.4	N160 T165 I166	N160-S162 PolarHBondContact O-N 3.02Å; N160-S162 VanDerWaalsContact O-N 3.08Å; N160-S162 PolarHBondContact OD1-N 3.04Å; N160-S162 VanDerWaalsContact OD1-N 3.12Å; N160-S162 PolarHBondContact OD1-OG 3.49Å; S162-T165 PolarHBondContact O-N 3.36Å; S162-I166 WeakPolarHBondContact O-CG1 3.05Å; S162-I166 PolarHBondContact O-N 2.88Å
163	V	72.3	Confident	62	Low	10 Å²	10	52.1 Å²	52.1	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-42.6	179.2	-178.8	0	0	0	0	110.1	T158 N160 T165 I166 L167 F193 Y199	T158-V163 HydrophobicContact CG2-CG1 4.08Å; N160-V163 HydrophobicContact CB-CB 4.27Å; N160-V163 HydrophobicContact CB-CG2 4.11Å; N160-V163 PolarHBondContact O-N 3.5Å; V163-T165 VanDerWaalsContact C-N 3.26Å; V163-T165 PolarHBondContact O-N 3.16Å; V163-I166 PolarHBondContact O-N 3.5Å; V163-I166 VanDerWaalsContact O-N 3.11Å; V163-L167 HydrophobicContact CG1-CD1 4.11Å; V163-L167 HydrophobicContact CG1-CG 4.34Å; V163-L167 VanDerWaalsContact O-CG 3.32Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.37Å; V163-F193 HydrophobicContact CG1-CE2 4.47Å; V163-F193 HydrophobicContact CG2-CE2 3.91Å; V163-F193 HydrophobicContact CG2-CZ 4.06Å; V163-Y199 WeakPolarHBondContact CG1-OH 3.29Å
164	D	65.7	Low	63	Low	8 Å²	8	42.5 Å²	42.5	4%	0.043	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-37	177.5	-66	-18.8	0	0	0	111.4	P156 L157 T158 N160 L167 I168	P156-D164 WeakPolarHBondContact CA-OD2 3.43Å; L157-D164 WeakPolarHBondContact CB-OD1 3.28Å; L157-D164 PolarHBondContact N-OD2 2.85Å; T158-D164 WeakPolarHBondContact CB-OD1 3.35Å; T158-D164 VanDerWaalsContact CG2-OD1 3.26Å; T158-D164 WeakPolarHBondContact CG2-OD1 3.3Å; T158-D164 PolarHBondContact N-OD1 2.98Å; T158-D164 PolarHBondContact OG1-OD1 3.45Å; N160-D164 PolarHBondContact O-N 2.8Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-I168 VanDerWaalsContact O-CG1 3.26Å; D164-I168 WeakPolarHBondContact O-CG1 3.2Å; D164-I168 PolarHBondContact O-N 2.93Å
165	T	70.4	Confident	64.1	Low	18 Å²	18	36 Å²	36	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-48.3	172.9	-50.1	0	0	0	0	111.3	I149 V161 S162 V163 L167 I168 E169	I149-T165 HydrophobicContact CD1-CG2 4.19Å; I149-T165 WeakPolarHBondContact CD1-OG1 3.48Å; V161-T165 WeakPolarHBondContact O-CB 3.44Å; V161-T165 PolarHBondContact O-N 3.05Å; V161-T165 PolarHBondContact O-OG1 3.37Å; S162-T165 PolarHBondContact O-N 3.36Å; V163-T165 VanDerWaalsContact C-N 3.26Å; V163-T165 PolarHBondContact O-N 3.16Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.46Å; T165-I168 PolarHBondContact O-N 3.39Å; T165-E169 WeakPolarHBondContact O-CG 3.43Å; T165-E169 PolarHBondContact O-N 3.06Å
166	I	78.1	Confident	65.5	Low	64 Å²	64	33.2 Å²	33.2	33%	0.328	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-38.4	-179.2	-56.7	164.8	0	0	0	110.4	S162 V163 E169 I170 K185 I189	S162-I166 WeakPolarHBondContact O-CG1 3.05Å; S162-I166 PolarHBondContact O-N 2.88Å; V163-I166 PolarHBondContact O-N 3.5Å; V163-I166 VanDerWaalsContact O-N 3.11Å; I166-E169 PolarHBondContact O-N 3.21Å; I166-I170 HydrophobicContact CG2-CD1 4.03Å; I166-I170 HydrophobicContact CG2-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CD1 3.48Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.36Å; I166-K185 HydrophobicContact CG2-CB 4.42Å; I166-K185 HydrophobicContact CG2-CD 4.46Å; I166-I189 HydrophobicContact CB-CD1 3.98Å; I166-I189 HydrophobicContact CG2-CD1 3.61Å; I166-I189 HydrophobicContact CG2-CG1 3.94Å
167	L	71.8	Confident	66.7	Low	10 Å²	10	34 Å²	34	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-47	175.3	-69.6	169.6	0	0	0	111.3	L157 T158 V163 D164 T165 E169 I170 I171 I189 Y199 L202	L157-L167 HydrophobicContact CB-CD1 4.32Å; L157-L167 HydrophobicContact CD1-CD1 4.32Å; T158-L167 HydrophobicContact CG2-CD1 3.83Å; V163-L167 HydrophobicContact CG1-CD1 4.11Å; V163-L167 HydrophobicContact CG1-CG 4.34Å; V163-L167 VanDerWaalsContact O-CG 3.32Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.37Å; D164-L167 PolarHBondContact O-N 2.88Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.46Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.49Å; L167-I170 PolarHBondContact O-N 2.97Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 2.88Å; L167-I171 VanDerWaalsContact O-N 3.09Å; L167-I189 HydrophobicContact CD2-CD1 3.67Å; L167-I189 HydrophobicContact CG-CD1 4.03Å; L167-Y199 HydrophobicContact CD1-CE1 3.78Å; L167-Y199 HydrophobicContact CD2-CD1 3.8Å; L167-Y199 HydrophobicContact CD2-CE1 3.84Å; L167-Y199 HydrophobicContact CG-CE1 4.38Å; L167-L202 HydrophobicContact CD2-CD2 3.44Å; L167-L202 VanDerWaalsContact CD2-CD2 3.44Å
168	I	68.2	Low	68.1	Low	17 Å²	17	33 Å²	33	9%	0.087	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-44.4	175.3	-69.3	166.6	0	0	0	110.4	I123 I149 D164 T165 I170 I171 I172	I123-I168 HydrophobicContact CD1-CG1 4.22Å; I123-I168 HydrophobicContact CD1-CG2 4Å; I149-I168 HydrophobicContact CD1-CD1 4.3Å; I149-I168 HydrophobicContact CG1-CD1 3.92Å; D164-I168 VanDerWaalsContact O-CG1 3.26Å; D164-I168 WeakPolarHBondContact O-CG1 3.2Å; D164-I168 PolarHBondContact O-N 2.93Å; T165-I168 PolarHBondContact O-N 3.39Å; I168-I170 PolarHBondContact O-N 3.43Å; I168-I171 PolarHBondContact O-N 2.89Å; I168-I172 HydrophobicContact CG2-CD1 3.55Å; I168-I172 HydrophobicContact CG2-CG1 4.3Å; I168-I172 VanDerWaalsContact O-CG1 3.26Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 2.84Å
169	E	74.4	Confident	69.3	Low	25 Å²	25	31.7 Å²	31.7	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-39.5	177.5	-72.7	179.7	163.5	0	0	113.2	I141 T165 I166 L167 I171 I172 L173 K185	I141-E169 HydrophobicContact CG2-CG 4.19Å; T165-E169 WeakPolarHBondContact O-CG 3.43Å; T165-E169 PolarHBondContact O-N 3.06Å; I166-E169 PolarHBondContact O-N 3.21Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 3.49Å; E169-I171 VanDerWaalsContact C-N 3.3Å; E169-I171 PolarHBondContact O-N 3.31Å; E169-I172 PolarHBondContact O-N 2.94Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.24Å; E169-L173 VanDerWaalsContact O-CG 3.22Å; E169-L173 WeakPolarHBondContact O-CG 3.05Å; E169-L173 PolarHBondContact O-N 3.23Å; E169-K185 IonicContact OE2-NZ 3.92Å; E169-K185 PolarHBondContact OE2-NZ 3.46Å
170	I	73	Confident	70.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-45.8	175.3	-72.4	159.6	0	0	0	109.9	I166 L167 I168 L173 S174 K185 I189 L202 T206	I166-I170 HydrophobicContact CG2-CD1 4.03Å; I166-I170 HydrophobicContact CG2-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CD1 3.48Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.36Å; L167-I170 PolarHBondContact O-N 2.97Å; I168-I170 PolarHBondContact O-N 3.43Å; I170-L173 PolarHBondContact O-N 3.42Å; I170-S174 WeakPolarHBondContact O-CB 3.39Å; I170-S174 PolarHBondContact O-N 2.98Å; I170-K185 HydrophobicContact CD1-CB 4.04Å; I170-K185 HydrophobicContact CG1-CB 3.5Å; I170-K185 HydrophobicContact CG1-CD 4.5Å; I170-I189 HydrophobicContact CD1-CD1 3.36Å; I170-I189 HydrophobicContact CD1-CG1 4.08Å; I170-L202 HydrophobicContact CB-CD2 4.29Å; I170-L202 HydrophobicContact CD1-CD2 4.12Å; I170-L202 HydrophobicContact CG2-CD1 4.34Å; I170-L202 HydrophobicContact CG2-CD2 3.89Å; I170-L202 HydrophobicContact CG2-CG 4.07Å; I170-T206 HydrophobicContact CG2-CG2 3.66Å
171	I	65.7	Low	71.4	Confident	13 Å²	13	34 Å²	34	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-53.3	178.2	-66	165	0	0	0	109	I123 L125 L167 I168 E169 L173 S174 N175 L202	I123-I171 HydrophobicContact CB-CG2 4.43Å; I123-I171 HydrophobicContact CG2-CG2 3.88Å; L125-I171 HydrophobicContact CD2-CB 4.27Å; L125-I171 HydrophobicContact CD2-CG1 4.29Å; L125-I171 HydrophobicContact CD2-CG2 4.15Å; L125-I171 HydrophobicContact CG-CG1 4.21Å; L125-I171 HydrophobicContact CG-CG2 4.16Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 2.88Å; L167-I171 VanDerWaalsContact O-N 3.09Å; I168-I171 PolarHBondContact O-N 2.89Å; E169-I171 VanDerWaalsContact C-N 3.3Å; E169-I171 PolarHBondContact O-N 3.31Å; I171-L173 PolarHBondContact O-N 2.97Å; I171-S174 PolarHBondContact O-N 3.26Å; I171-N175 WeakPolarHBondContact O-CB 2.99Å; I171-N175 PolarHBondContact O-N 3.48Å; I171-N175 PolarHBondContact O-ND2 2.84Å; I171-N175 PolarHBondContact O-OD1 3.34Å; I171-L202 HydrophobicContact CG1-CD1 3.99Å
172	I	65.8	Low	72.1	Confident	11 Å²	11	29.9 Å²	29.9	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-41.8	-179.8	-63.4	164.7	0	0	0	112.1	I141 F144 I168 E169 N175 C176	I141-I172 HydrophobicContact CB-CG2 4.39Å; I141-I172 HydrophobicContact CD1-CG2 4.09Å; I141-I172 HydrophobicContact CG1-CG2 3.75Å; I141-I172 HydrophobicContact CG2-CB 4.33Å; I141-I172 HydrophobicContact CG2-CD1 4.39Å; I141-I172 HydrophobicContact CG2-CG2 4Å; F144-I172 HydrophobicContact CD1-CD1 3.76Å; F144-I172 HydrophobicContact CE1-CD1 4.4Å; I168-I172 HydrophobicContact CG2-CD1 3.55Å; I168-I172 HydrophobicContact CG2-CG1 4.3Å; I168-I172 VanDerWaalsContact O-CG1 3.26Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 2.84Å; E169-I172 PolarHBondContact O-N 2.94Å; I172-N175 CarbonylContact O-C 3.58Å; I172-N175 VanDerWaalsContact O-CB 3.28Å; I172-N175 WeakPolarHBondContact O-CB 3.28Å; I172-N175 PolarHBondContact O-N 3.49Å; I172-C176 WeakPolarHBondContact O-CB 2.95Å; I172-C176 PolarHBondContact O-N 3.48Å; I172-C176 PolarHBondContact O-SG 3.47Å
173	L	72.6	Confident	72.8	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-42.6	179.1	-76.5	168.3	0	0	0	112.3	I141 E169 I170 I171 N175 C176 K177 N178 R181 A182 K185	I141-L173 HydrophobicContact CD1-CD2 3.83Å; I141-L173 HydrophobicContact CD1-CG 4.47Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.24Å; E169-L173 VanDerWaalsContact O-CG 3.22Å; E169-L173 WeakPolarHBondContact O-CG 3.05Å; E169-L173 PolarHBondContact O-N 3.23Å; I170-L173 PolarHBondContact O-N 3.42Å; I171-L173 PolarHBondContact O-N 2.97Å; L173-N175 PolarHBondContact O-N 3.21Å; L173-C176 CarbonylContact O-C 3.59Å; L173-C176 PolarHBondContact O-N 2.92Å; L173-K177 PolarHBondContact O-N 3.34Å; L173-N178 HydrophobicContact CD2-CB 4.24Å; L173-N178 PolarHBondContact O-N 2.93Å; L173-R181 HydrophobicContact CD1-CB 4.25Å; L173-R181 HydrophobicContact CD1-CG 3.89Å; L173-A182 HydrophobicContact CB-CB 3.94Å; L173-K185 HydrophobicContact CD1-CD 3.8Å
174	S	67.2	Low	73.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-40.1	174.6	-170.1	0	0	0	0	110.9	L125 I170 I171 C176 K177 H179 R209	L125-S174 VanDerWaalsContact CD2-CB 3.48Å; I170-S174 WeakPolarHBondContact O-CB 3.39Å; I170-S174 PolarHBondContact O-N 2.98Å; I171-S174 PolarHBondContact O-N 3.26Å; S174-C176 VanDerWaalsContact C-N 3.3Å; S174-C176 PolarHBondContact O-N 3.08Å; S174-K177 PolarHBondContact O-N 2.93Å; S174-K177 VanDerWaalsContact O-N 3.09Å; S174-H179 PolarHBondContact O-CE1 3.44Å; S174-R209 WeakPolarHBondContact OG-CD 3.33Å
175	N	60.4	Low	74.6	Confident	3 Å²	3	35 Å²	35	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-36.1	175.4	-71.1	10.4	0	0	0	112	P124 L125 C126 T127 I128 I171 I172 L173 K177 R209	P124-N175 PolarHBondContact O-ND2 2.92Å; L125-N175 VanDerWaalsContact CA-OD1 3.23Å; L125-N175 WeakPolarHBondContact CA-OD1 3.35Å; C126-N175 PolarHBondContact N-ND2 3.31Å; C126-N175 VanDerWaalsContact N-ND2 3.2Å; C126-N175 PolarHBondContact N-OD1 2.87Å; C126-N175 WeakPolarHBondContact O-CA 3.26Å; C126-N175 WeakPolarHBondContact O-CB 3.46Å; C126-N175 PolarHBondContact O-ND2 3Å; C126-N175 PolarHBondContact O-OD1 3.39Å; C126-N175 VanDerWaalsContact O-OD1 3.09Å; T127-N175 CarbonylContact C-O 3.57Å; T127-N175 VanDerWaalsContact CA-O 3.23Å; T127-N175 WeakPolarHBondContact CA-O 3.48Å; I128-N175 HydrophobicContact CD1-CB 4.02Å; I128-N175 HydrophobicContact CG1-CB 4.17Å; I128-N175 PolarHBondContact N-O 2.84Å; I171-N175 WeakPolarHBondContact O-CB 2.99Å; I171-N175 PolarHBondContact O-N 3.48Å; I171-N175 PolarHBondContact O-ND2 2.84Å; I171-N175 PolarHBondContact O-OD1 3.34Å; I172-N175 CarbonylContact O-C 3.58Å; I172-N175 VanDerWaalsContact O-CB 3.28Å; I172-N175 WeakPolarHBondContact O-CB 3.28Å; I172-N175 PolarHBondContact O-N 3.49Å; L173-N175 PolarHBondContact O-N 3.21Å; N175-K177 PolarHBondContact O-N 3.37Å; N175-R209 PolarHBondContact OD1-NH1 2.96Å; N175-R209 VanDerWaalsContact OD1-NH1 3.11Å
176	C	66.3	Low	75.3	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.034	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	11.7	174.2	-70	0	0	0	0	114.1	R132 C136 I172 L173 S174 N178	R132-C176 VanDerWaalsContact CZ-O 3.26Å; R132-C176 PolarHBondContact NE-O 2.84Å; R132-C176 PolarHBondContact NH2-O 3Å; C136-C176 VanDerWaalsContact CA-SG 3.59Å; C136-C176 HydrophobicContact CB-CB 3.54Å; C136-C176 WeakPolarHBondContact CB-SG 3.46Å; C136-C176 WeakPolarHBondContact SG-CB 3.47Å; C136-C176 CovalentContact SG-SG 2.02Å; C136-C176 PolarHBondContact SG-SG 3.41Å; I172-C176 WeakPolarHBondContact O-CB 2.95Å; I172-C176 PolarHBondContact O-N 3.48Å; I172-C176 PolarHBondContact O-SG 3.47Å; L173-C176 CarbonylContact O-C 3.59Å; L173-C176 PolarHBondContact O-N 2.92Å; S174-C176 VanDerWaalsContact C-N 3.3Å; S174-C176 PolarHBondContact O-N 3.08Å; C176-N178 PolarHBondContact O-N 2.89Å; C176-N178 VanDerWaalsContact O-N 3.08Å
177	K	67.3	Low	75.8	Confident	98 Å²	98	35.2 Å²	35.2	43%	0.426	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	21.8	-169.4	-56.2	179	167.8	179.5	0	114.8	T127 L173 S174 N175 H179	T127-K177 HydrophobicContact CG2-CD 4.4Å; T127-K177 HydrophobicContact CG2-CG 3.7Å; L173-K177 PolarHBondContact O-N 3.34Å; S174-K177 PolarHBondContact O-N 2.93Å; S174-K177 VanDerWaalsContact O-N 3.09Å; N175-K177 PolarHBondContact O-N 3.37Å; K177-H179 PolarHBondContact O-N 2.94Å; K177-H179 VanDerWaalsContact O-N 3.1Å
178	N	77.6	Confident	76.6	Confident	67 Å²	67	38.6 Å²	38.6	36%	0.358	19%	0.185	S	C	.	.			trans	-88.4	64.8	171.6	-166.4	-22.3	0	0	0	108.8	L173 C176 D180 R181 A182	L173-N178 HydrophobicContact CD2-CB 4.24Å; L173-N178 PolarHBondContact O-N 2.93Å; C176-N178 PolarHBondContact O-N 2.89Å; C176-N178 VanDerWaalsContact O-N 3.08Å; N178-D180 VanDerWaalsContact C-N 3.32Å; N178-D180 PolarHBondContact O-N 3.39Å; N178-R181 PolarHBondContact O-N 2.87Å; N178-R181 WeakPolarHBondContact OD1-CB 2.83Å; N178-R181 PolarHBondContact OD1-N 3.34Å; N178-A182 PolarHBondContact O-N 3.37Å; N178-A182 VanDerWaalsContact O-N 3.1Å
179	H	78.7	Confident	77.4	Confident	27 Å²	27	38.2 Å²	38.2	13%	0.125	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-36.1	-169.9	-59.8	-56.3	0	0	0	112	S174 K177 R181 A182 I183 N210	S174-H179 PolarHBondContact O-CE1 3.44Å; K177-H179 PolarHBondContact O-N 2.94Å; K177-H179 VanDerWaalsContact O-N 3.1Å; H179-R181 PolarHBondContact O-N 3.49Å; H179-A182 PolarHBondContact O-N 3.14Å; H179-I183 HydrophobicContact CB-CD1 4.44Å; H179-I183 VanDerWaalsContact O-CB 3.23Å; H179-I183 WeakPolarHBondContact O-CB 3.32Å; H179-I183 WeakPolarHBondContact O-CD1 3.05Å; H179-I183 WeakPolarHBondContact O-CG1 3.33Å; H179-I183 PolarHBondContact O-N 3.27Å; H179-N210 HydrophobicContact CB-CB 4.23Å
180	D	82.7	Confident	78	Confident	104 Å²	104	37.5 Å²	37.5	56%	0.556	18%	0.18	S	C	*	.	H	α-helix	trans	-62.9	-45	-179.2	-62.8	-34	0	0	0	111.9	N178 I183 Q184	N178-D180 VanDerWaalsContact C-N 3.32Å; N178-D180 PolarHBondContact O-N 3.39Å; D180-I183 PolarHBondContact O-N 2.92Å; D180-Q184 WeakPolarHBondContact O-CG 3.37Å; D180-Q184 PolarHBondContact O-N 3.01Å
181	R	82.7	Confident	78.6	Confident	77 Å²	77	44.8 Å²	44.8	29%	0.291	21%	0.212	S	C	.	.	H	α-helix	trans	-70.5	-37.2	177.3	-162.1	179.9	-173.5	-176.7	5.6	112	D138 L173 N178 H179 Q184 K185	D138-R181 IonicContact OD1-CZ 3.16Å; D138-R181 IonicContact OD1-NH1 3.38Å; D138-R181 PolarHBondContact OD1-NH1 2.97Å; D138-R181 IonicContact OD1-NH2 3.74Å; D138-R181 IonicContact OD2-CZ 2.74Å; D138-R181 IonicContact OD2-NH1 3.81Å; D138-R181 PolarHBondContact OD2-NH1 3.29Å; D138-R181 IonicContact OD2-NH2 3.39Å; D138-R181 PolarHBondContact OD2-NH2 3.41Å; L173-R181 HydrophobicContact CD1-CB 4.25Å; L173-R181 HydrophobicContact CD1-CG 3.89Å; N178-R181 PolarHBondContact O-N 2.87Å; N178-R181 WeakPolarHBondContact OD1-CB 2.83Å; N178-R181 PolarHBondContact OD1-N 3.34Å; H179-R181 PolarHBondContact O-N 3.49Å; R181-Q184 PolarHBondContact O-N 3.14Å; R181-K185 PolarHBondContact O-N 3.34Å
182	A	83.1	Confident	79.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-46.7	173.8	0	0	0	0	0	111	L173 N178 H179 K185 S186 T206	L173-A182 HydrophobicContact CB-CB 3.94Å; N178-A182 PolarHBondContact O-N 3.37Å; N178-A182 VanDerWaalsContact O-N 3.1Å; H179-A182 PolarHBondContact O-N 3.14Å; A182-K185 PolarHBondContact O-N 2.84Å; A182-S186 WeakPolarHBondContact O-CB 3.48Å; A182-S186 PolarHBondContact O-N 3.47Å; A182-S186 PolarHBondContact O-OG 2.97Å; A182-T206 HydrophobicContact CB-CG2 4.39Å
183	I	85.8	Confident	80.4	Confident	24 Å²	24	55.9 Å²	55.9	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-45.8	177	-76.5	167	0	0	0	111.1	H179 D180 K185 S186 H187 Y203 L207 N210	H179-I183 HydrophobicContact CB-CD1 4.44Å; H179-I183 VanDerWaalsContact O-CB 3.23Å; H179-I183 WeakPolarHBondContact O-CB 3.32Å; H179-I183 WeakPolarHBondContact O-CD1 3.05Å; H179-I183 WeakPolarHBondContact O-CG1 3.33Å; H179-I183 PolarHBondContact O-N 3.27Å; D180-I183 PolarHBondContact O-N 2.92Å; I183-K185 PolarHBondContact O-N 3.39Å; I183-S186 VanDerWaalsContact CA-OG 3.25Å; I183-S186 WeakPolarHBondContact CA-OG 3.23Å; I183-S186 PolarHBondContact O-N 3.18Å; I183-S186 PolarHBondContact O-OG 3.46Å; I183-H187 WeakPolarHBondContact O-CB 3.49Å; I183-H187 PolarHBondContact O-N 2.79Å; I183-Y203 HydrophobicContact CG2-CE2 4.09Å; I183-L207 HydrophobicContact CD1-CD2 3.98Å; I183-L207 HydrophobicContact CG1-CD2 4.08Å; I183-L207 HydrophobicContact CG2-CD2 4.18Å; I183-N210 HydrophobicContact CD1-CB 3.75Å; I183-N210 VanDerWaalsContact CD1-ND2 3.3Å; I183-N210 WeakPolarHBondContact CD1-ND2 3.2Å
184	Q	87.5	Confident	80.8	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-45.9	177.1	-75.6	176.4	1.2	0	0	111.7	D180 R181 N188	D180-Q184 WeakPolarHBondContact O-CG 3.37Å; D180-Q184 PolarHBondContact O-N 3.01Å; R181-Q184 PolarHBondContact O-N 3.14Å; Q184-N188 PolarHBondContact O-N 3.1Å; Q184-N188 VanDerWaalsContact O-N 3.08Å; Q184-N188 PolarHBondContact O-ND2 3.37Å
185	K	87.7	Confident	81.5	Confident	44 Å²	44	63.1 Å²	63.1	19%	0.191	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-43	178.6	-74.4	-170.1	-179.5	-172.9	0	112.3	I166 E169 I170 L173 R181 A182 I183 N188 I189	I166-K185 HydrophobicContact CG2-CB 4.42Å; I166-K185 HydrophobicContact CG2-CD 4.46Å; E169-K185 IonicContact OE2-NZ 3.92Å; E169-K185 PolarHBondContact OE2-NZ 3.46Å; I170-K185 HydrophobicContact CD1-CB 4.04Å; I170-K185 HydrophobicContact CG1-CB 3.5Å; I170-K185 HydrophobicContact CG1-CD 4.5Å; L173-K185 HydrophobicContact CD1-CD 3.8Å; R181-K185 PolarHBondContact O-N 3.34Å; A182-K185 PolarHBondContact O-N 2.84Å; I183-K185 PolarHBondContact O-N 3.39Å; K185-N188 PolarHBondContact O-N 2.76Å; K185-I189 PolarHBondContact O-N 3.12Å; K185-I189 VanDerWaalsContact O-N 3.07Å
186	S	85.2	Confident	82.5	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-39.7	177.5	54.3	0	0	0	0	112.1	A182 I183 N188 I189 V190 Y203 T206	A182-S186 WeakPolarHBondContact O-CB 3.48Å; A182-S186 PolarHBondContact O-N 3.47Å; A182-S186 PolarHBondContact O-OG 2.97Å; I183-S186 VanDerWaalsContact CA-OG 3.25Å; I183-S186 WeakPolarHBondContact CA-OG 3.23Å; I183-S186 PolarHBondContact O-N 3.18Å; I183-S186 PolarHBondContact O-OG 3.46Å; S186-N188 VanDerWaalsContact C-N 3.32Å; S186-N188 PolarHBondContact O-N 2.97Å; S186-I189 PolarHBondContact O-N 2.74Å; S186-V190 WeakPolarHBondContact O-CG2 3.43Å; S186-V190 PolarHBondContact O-N 3.45Å; S186-Y203 WeakPolarHBondContact OG-CD2 3.34Å; S186-T206 PolarHBondContact OG-OG1 2.85Å
187	H	89.5	Confident	83.2	Confident	84 Å²	84	67 Å²	67	39%	0.389	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-44	173.8	173.7	-97.5	0	0	0	111.2	I183 I189 V190 K191 Y203	I183-H187 WeakPolarHBondContact O-CB 3.49Å; I183-H187 PolarHBondContact O-N 2.79Å; H187-I189 PolarHBondContact O-N 2.99Å; H187-V190 PolarHBondContact O-N 3.26Å; H187-K191 WeakPolarHBondContact O-CB 3.36Å; H187-K191 PolarHBondContact O-N 2.92Å; H187-Y203 HydrophobicContact CB-CE1 4.47Å; H187-Y203 HydrophobicContact CB-CE2 4.12Å
188	N	88.2	Confident	83.6	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-45.7	177.2	-69.8	-16.5	0	0	0	111.7	Q184 K185 S186 V190 K191 Y192	Q184-N188 PolarHBondContact O-N 3.1Å; Q184-N188 VanDerWaalsContact O-N 3.08Å; Q184-N188 PolarHBondContact O-ND2 3.37Å; K185-N188 PolarHBondContact O-N 2.76Å; S186-N188 VanDerWaalsContact C-N 3.32Å; S186-N188 PolarHBondContact O-N 2.97Å; N188-V190 PolarHBondContact O-N 3.07Å; N188-K191 WeakPolarHBondContact O-CB 3.34Å; N188-K191 PolarHBondContact O-N 3.44Å; N188-Y192 WeakPolarHBondContact O-CD2 3.29Å; N188-Y192 PolarHBondContact O-N 2.77Å
189	I	84.8	Confident	83.9	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-47.6	176.2	-68	-171.1	0	0	0	111.3	I166 L167 I170 K185 S186 H187 K191 Y192 F193 Y199	I166-I189 HydrophobicContact CB-CD1 3.98Å; I166-I189 HydrophobicContact CG2-CD1 3.61Å; I166-I189 HydrophobicContact CG2-CG1 3.94Å; L167-I189 HydrophobicContact CD2-CD1 3.67Å; L167-I189 HydrophobicContact CG-CD1 4.03Å; I170-I189 HydrophobicContact CD1-CD1 3.36Å; I170-I189 HydrophobicContact CD1-CG1 4.08Å; K185-I189 PolarHBondContact O-N 3.12Å; K185-I189 VanDerWaalsContact O-N 3.07Å; S186-I189 PolarHBondContact O-N 2.74Å; H187-I189 PolarHBondContact O-N 2.99Å; I189-K191 VanDerWaalsContact C-N 3.26Å; I189-K191 PolarHBondContact O-N 3.4Å; I189-Y192 PolarHBondContact O-N 2.85Å; I189-F193 HydrophobicContact CG2-CD2 4.33Å; I189-F193 PolarHBondContact O-N 3.35Å; I189-Y199 HydrophobicContact CG2-CD1 4.03Å; I189-Y199 HydrophobicContact CG2-CD2 3.34Å; I189-Y199 HydrophobicContact CG2-CE1 4.41Å; I189-Y199 HydrophobicContact CG2-CE2 3.72Å; I189-Y199 HydrophobicContact CG2-CG 3.49Å; I189-Y199 VanDerWaalsContact CG2-CG 3.49Å
190	V	85.7	Confident	84.2	Confident	10 Å²	10	62.9 Å²	62.9	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-35.6	179.6	172.6	0	0	0	0	111.3	S186 H187 N188 F193 P194 Y199 R200 Y203	S186-V190 WeakPolarHBondContact O-CG2 3.43Å; S186-V190 PolarHBondContact O-N 3.45Å; H187-V190 PolarHBondContact O-N 3.26Å; N188-V190 PolarHBondContact O-N 3.07Å; V190-F193 CarbonylContact O-C 3.45Å; V190-F193 PolarHBondContact O-N 3.38Å; V190-P194 VanDerWaalsContact O-CA 3.23Å; V190-P194 WeakPolarHBondContact O-CA 3.25Å; V190-P194 VanDerWaalsContact O-N 3.14Å; V190-Y199 WeakPolarHBondContact CG2-O 3.35Å; V190-R200 HydrophobicContact CG1-CG 4Å; V190-R200 HydrophobicContact CG2-CG 4.3Å; V190-Y203 HydrophobicContact CB-CD1 4.49Å; V190-Y203 HydrophobicContact CG2-CD1 4.08Å; V190-Y203 HydrophobicContact CG2-CG 4.26Å
191	K	87.2	Confident	84	Confident	153 Å²	153	59 Å²	59	67%	0.665	29%	0.292	S	S	*	.	H	α-helix	trans	-65.3	-40.8	175.4	-173.2	-179.9	179	-178.2	0	112.4	H187 N188 I189	H187-K191 WeakPolarHBondContact O-CB 3.36Å; H187-K191 PolarHBondContact O-N 2.92Å; N188-K191 WeakPolarHBondContact O-CB 3.34Å; N188-K191 PolarHBondContact O-N 3.44Å; I189-K191 VanDerWaalsContact C-N 3.26Å; I189-K191 PolarHBondContact O-N 3.4Å
192	Y	85.3	Confident	83.8	Confident	179 Å²	179	56.4 Å²	56.4	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-74.4	-32.1	177.3	-74.9	-68	0	0	0	112.9	N188 I189 P194	N188-Y192 WeakPolarHBondContact O-CD2 3.29Å; N188-Y192 PolarHBondContact O-N 2.77Å; I189-Y192 PolarHBondContact O-N 2.85Å; Y192-P194 VanDerWaalsContact C-CD 3.49Å; Y192-P194 WeakPolarHBondContact O-CD 3.44Å
193	F	83.1	Confident	83.9	Confident	79 Å²	79	56.7 Å²	56.7	35%	0.346	29%	0.285	S	S	.	.			trans	-130.1	65.9	-175.1	-59.2	-75.6	0	0	0	112.1	V163 I189 V190 S195 L196 Y199	V163-F193 HydrophobicContact CG1-CE2 4.47Å; V163-F193 HydrophobicContact CG2-CE2 3.91Å; V163-F193 HydrophobicContact CG2-CZ 4.06Å; I189-F193 HydrophobicContact CG2-CD2 4.33Å; I189-F193 PolarHBondContact O-N 3.35Å; V190-F193 CarbonylContact O-C 3.45Å; V190-F193 PolarHBondContact O-N 3.38Å; F193-S195 PolarHBondContact O-N 3.39Å; F193-L196 HydrophobicContact CB-CD1 4.07Å; F193-L196 HydrophobicContact CD1-CD1 4.41Å; F193-L196 HydrophobicContact CG-CD1 4.4Å; F193-L196 PolarHBondContact O-N 3.31Å; F193-Y199 HydrophobicContact CB-CD2 3.61Å; F193-Y199 HydrophobicContact CB-CE2 3.49Å; F193-Y199 VanDerWaalsContact CB-CE2 3.49Å; F193-Y199 HydrophobicContact CD2-CD2 4.37Å; F193-Y199 AromaticContact CD2-CE2 3.75Å; F193-Y199 HydrophobicContact CD2-CE2 3.75Å; F193-Y199 HydrophobicContact CG-CD2 4.31Å; F193-Y199 AromaticContact CG-CE2 3.74Å; F193-Y199 HydrophobicContact CG-CE2 3.74Å
194	P	81.2	Confident	83.7	Confident	66 Å²	66	55.6 Å²	55.6	43%	0.429	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.3	-171	27.4	-36	0	0	0	114.3	V190 Y192 R200	V190-P194 VanDerWaalsContact O-CA 3.23Å; V190-P194 WeakPolarHBondContact O-CA 3.25Å; V190-P194 VanDerWaalsContact O-N 3.14Å; Y192-P194 VanDerWaalsContact C-CD 3.49Å; Y192-P194 WeakPolarHBondContact O-CD 3.44Å; P194-R200 PolarHBondContact O-NE 3.47Å; P194-R200 VanDerWaalsContact O-NE 3.1Å; P194-R200 PolarHBondContact O-NH2 3.43Å
195	S	81.5	Confident	83.2	Confident	88 Å²	88	50.8 Å²	50.8	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.2	-178.6	56	0	0	0	0	114.1	F193 P197	F193-S195 PolarHBondContact O-N 3.39Å; S195-P197 WeakPolarHBondContact O-CD 3.32Å
196	L	82.1	Confident	82.8	Confident	72 Å²	72	48.7 Å²	48.7	38%	0.377	25%	0.248	S	C	.	.			trans	-94.6	108.2	-178.6	-75.6	173.2	0	0	0	110.8	F193 A198 Y199	F193-L196 HydrophobicContact CB-CD1 4.07Å; F193-L196 HydrophobicContact CD1-CD1 4.41Å; F193-L196 HydrophobicContact CG-CD1 4.4Å; F193-L196 PolarHBondContact O-N 3.31Å; L196-A198 VanDerWaalsContact C-N 3.26Å; L196-A198 PolarHBondContact O-N 3.33Å; L196-Y199 HydrophobicContact CB-CD2 3.7Å; L196-Y199 HydrophobicContact CB-CE2 3.92Å; L196-Y199 HydrophobicContact CB-CG 4.26Å; L196-Y199 HydrophobicContact CD1-CD2 4.02Å; L196-Y199 HydrophobicContact CD1-CE2 3.32Å; L196-Y199 HydrophobicContact CG-CD2 4.5Å; L196-Y199 HydrophobicContact CG-CE2 4.25Å; L196-Y199 PolarHBondContact O-N 3.41Å
197	P	80	Confident	82.6	Confident	18 Å²	18	48.8 Å²	48.8	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-26.7	-174.3	27.1	-33.5	0	0	0	112.7	S195 Y199 R200 L201 A226 I229 N230 Y236	S195-P197 WeakPolarHBondContact O-CD 3.32Å; P197-Y199 VanDerWaalsContact C-N 3.32Å; P197-Y199 PolarHBondContact O-N 3.07Å; P197-R200 PolarHBondContact O-N 3.32Å; P197-L201 PolarHBondContact O-N 3.42Å; P197-A226 HydrophobicContact CB-CB 4.22Å; P197-I229 HydrophobicContact CB-CB 4.25Å; P197-I229 HydrophobicContact CB-CG2 4.13Å; P197-I229 HydrophobicContact CG-CG2 4.03Å; P197-N230 HydrophobicContact CB-CB 4.39Å; P197-N230 HydrophobicContact CG-CB 4.08Å; P197-Y236 HydrophobicContact CB-CD2 4.46Å; P197-Y236 HydrophobicContact CB-CE1 4.4Å; P197-Y236 HydrophobicContact CB-CE2 3.82Å; P197-Y236 HydrophobicContact CG-CE2 4.03Å
198	A	77.2	Confident	81.8	Confident	52 Å²	52	44.8 Å²	44.8	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-37.5	177.7	0	0	0	0	0	112.7	L196 L201 L202	L196-A198 VanDerWaalsContact C-N 3.26Å; L196-A198 PolarHBondContact O-N 3.33Å; A198-L201 WeakPolarHBondContact O-CB 3.48Å; A198-L201 PolarHBondContact O-N 2.94Å; A198-L202 PolarHBondContact O-N 3.03Å
199	Y	82.7	Confident	80.9	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.071	21%	0.214	C	C	.	.	H	α-helix	trans	-73.6	-33.4	177.9	-58	-24.2	0	0	0	112.4	T158 V163 L167 I189 V190 F193 L196 P197 L201 L202 Y203	T158-Y199 HydrophobicContact CG2-CE1 4.06Å; T158-Y199 WeakPolarHBondContact CG2-OH 3.29Å; V163-Y199 WeakPolarHBondContact CG1-OH 3.29Å; L167-Y199 HydrophobicContact CD1-CE1 3.78Å; L167-Y199 HydrophobicContact CD2-CD1 3.8Å; L167-Y199 HydrophobicContact CD2-CE1 3.84Å; L167-Y199 HydrophobicContact CG-CE1 4.38Å; I189-Y199 HydrophobicContact CG2-CD1 4.03Å; I189-Y199 HydrophobicContact CG2-CD2 3.34Å; I189-Y199 HydrophobicContact CG2-CE1 4.41Å; I189-Y199 HydrophobicContact CG2-CE2 3.72Å; I189-Y199 HydrophobicContact CG2-CG 3.49Å; I189-Y199 VanDerWaalsContact CG2-CG 3.49Å; V190-Y199 WeakPolarHBondContact CG2-O 3.35Å; F193-Y199 HydrophobicContact CB-CD2 3.61Å; F193-Y199 HydrophobicContact CB-CE2 3.49Å; F193-Y199 VanDerWaalsContact CB-CE2 3.49Å; F193-Y199 HydrophobicContact CD2-CD2 4.37Å; F193-Y199 AromaticContact CD2-CE2 3.75Å; F193-Y199 HydrophobicContact CD2-CE2 3.75Å; F193-Y199 HydrophobicContact CG-CD2 4.31Å; F193-Y199 AromaticContact CG-CE2 3.74Å; F193-Y199 HydrophobicContact CG-CE2 3.74Å; L196-Y199 HydrophobicContact CB-CD2 3.7Å; L196-Y199 HydrophobicContact CB-CE2 3.92Å; L196-Y199 HydrophobicContact CB-CG 4.26Å; L196-Y199 HydrophobicContact CD1-CD2 4.02Å; L196-Y199 HydrophobicContact CD1-CE2 3.32Å; L196-Y199 HydrophobicContact CG-CD2 4.5Å; L196-Y199 HydrophobicContact CG-CE2 4.25Å; L196-Y199 PolarHBondContact O-N 3.41Å; P197-Y199 VanDerWaalsContact C-N 3.32Å; P197-Y199 PolarHBondContact O-N 3.07Å; Y199-L201 VanDerWaalsContact C-N 3.35Å; Y199-L202 PolarHBondContact O-N 3.39Å; Y199-Y203 WeakPolarHBondContact O-CB 3.3Å; Y199-Y203 PolarHBondContact O-N 3.1Å
200	R	84.3	Confident	80.3	Confident	35 Å²	35	43 Å²	43	13%	0.132	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-38.7	172.4	-67.4	-172.2	-177.6	-85.4	1.7	111.6	V190 P194 P197 Y203 A204 E222 A226	V190-R200 HydrophobicContact CG1-CG 4Å; V190-R200 HydrophobicContact CG2-CG 4.3Å; P194-R200 PolarHBondContact O-NE 3.47Å; P194-R200 VanDerWaalsContact O-NE 3.1Å; P194-R200 PolarHBondContact O-NH2 3.43Å; P197-R200 PolarHBondContact O-N 3.32Å; R200-Y203 PolarHBondContact O-N 3.17Å; R200-A204 VanDerWaalsContact O-CB 3.31Å; R200-A204 WeakPolarHBondContact O-CB 3.33Å; R200-A204 PolarHBondContact O-N 3.38Å; R200-E222 IonicContact CZ-OE2 3.26Å; R200-E222 IonicContact NH1-OE2 2.74Å; R200-E222 PolarHBondContact NH1-OE2 3.02Å; R200-A226 HydrophobicContact CB-CB 3.91Å
201	L	80.3	Confident	79.3	Confident	22 Å²	22	47.5 Å²	47.5	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-49.6	170.6	174	66.2	0	0	0	110.9	P197 A198 Y199 Y203 A204 E205 I223 L235 Y236 K239	P197-L201 PolarHBondContact O-N 3.42Å; A198-L201 WeakPolarHBondContact O-CB 3.48Å; A198-L201 PolarHBondContact O-N 2.94Å; Y199-L201 VanDerWaalsContact C-N 3.35Å; L201-Y203 VanDerWaalsContact C-N 3.28Å; L201-Y203 PolarHBondContact O-N 3.38Å; L201-A204 PolarHBondContact O-N 3.22Å; L201-E205 WeakPolarHBondContact O-CB 3.47Å; L201-E205 PolarHBondContact O-N 3.23Å; L201-I223 HydrophobicContact CB-CD1 4.36Å; L201-I223 HydrophobicContact CD1-CD1 3.52Å; L201-L235 HydrophobicContact CD2-CD2 3.53Å; L201-L235 HydrophobicContact CD2-CG 3.8Å; L201-Y236 HydrophobicContact CB-CD1 3.85Å; L201-Y236 HydrophobicContact CB-CE1 3.75Å; L201-Y236 HydrophobicContact CD1-CD1 4.3Å; L201-Y236 HydrophobicContact CD2-CD1 3.89Å; L201-Y236 HydrophobicContact CD2-CE1 3.71Å; L201-Y236 HydrophobicContact CG-CD1 4.23Å; L201-Y236 HydrophobicContact CG-CE1 4.27Å; L201-K239 HydrophobicContact CD1-CB 3.97Å; L201-K239 HydrophobicContact CD1-CG 3.96Å
202	L	77.7	Confident	78.6	Confident	24 Å²	24	42.3 Å²	42.3	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-44.8	177.1	-178.3	68.8	0	0	0	111.2	L125 L167 I170 I171 A198 Y199 E205 T206	L125-L202 HydrophobicContact CD1-CD1 3.88Å; L167-L202 HydrophobicContact CD2-CD2 3.44Å; L167-L202 VanDerWaalsContact CD2-CD2 3.44Å; I170-L202 HydrophobicContact CB-CD2 4.29Å; I170-L202 HydrophobicContact CD1-CD2 4.12Å; I170-L202 HydrophobicContact CG2-CD1 4.34Å; I170-L202 HydrophobicContact CG2-CD2 3.89Å; I170-L202 HydrophobicContact CG2-CG 4.07Å; I171-L202 HydrophobicContact CG1-CD1 3.99Å; A198-L202 PolarHBondContact O-N 3.03Å; Y199-L202 PolarHBondContact O-N 3.39Å; L202-E205 WeakPolarHBondContact O-CB 3.43Å; L202-E205 PolarHBondContact O-N 3.48Å; L202-T206 WeakPolarHBondContact O-CG2 3.47Å; L202-T206 PolarHBondContact O-N 2.82Å; L202-T206 PolarHBondContact O-OG1 2.75Å
203	Y	85	Confident	77.7	Confident	6 Å²	6	37.7 Å²	37.7	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-47.4	178.5	-175.5	-150.3	0	0	0	112.1	I183 S186 H187 V190 Y199 R200 L201 E205 T206 L207 Q218 E222	I183-Y203 HydrophobicContact CG2-CE2 4.09Å; S186-Y203 WeakPolarHBondContact OG-CD2 3.34Å; H187-Y203 HydrophobicContact CB-CE1 4.47Å; H187-Y203 HydrophobicContact CB-CE2 4.12Å; V190-Y203 HydrophobicContact CB-CD1 4.49Å; V190-Y203 HydrophobicContact CG2-CD1 4.08Å; V190-Y203 HydrophobicContact CG2-CG 4.26Å; Y199-Y203 WeakPolarHBondContact O-CB 3.3Å; Y199-Y203 PolarHBondContact O-N 3.1Å; R200-Y203 PolarHBondContact O-N 3.17Å; L201-Y203 VanDerWaalsContact C-N 3.28Å; L201-Y203 PolarHBondContact O-N 3.38Å; Y203-E205 PolarHBondContact O-N 3.32Å; Y203-T206 WeakPolarHBondContact CA-OG1 3.19Å; Y203-T206 PolarHBondContact O-N 2.89Å; Y203-T206 PolarHBondContact O-OG1 3.38Å; Y203-L207 HydrophobicContact CD1-CD1 4.24Å; Y203-L207 HydrophobicContact CD2-CD1 3.9Å; Y203-L207 HydrophobicContact CD2-CG 3.91Å; Y203-L207 HydrophobicContact CE1-CD1 3.97Å; Y203-L207 HydrophobicContact CE2-CD1 3.67Å; Y203-L207 HydrophobicContact CE2-CD2 3.98Å; Y203-L207 HydrophobicContact CE2-CG 3.65Å; Y203-L207 HydrophobicContact CG-CD1 4.2Å; Y203-L207 WeakPolarHBondContact O-CB 3.47Å; Y203-L207 WeakPolarHBondContact O-CG 3.04Å; Y203-L207 PolarHBondContact O-N 2.83Å; Y203-Q218 PolarHBondContact OH-NE2 3.09Å; Y203-E222 HydrophobicContact CD1-CB 4.43Å; Y203-E222 HydrophobicContact CD1-CG 3.6Å; Y203-E222 HydrophobicContact CE1-CG 3.77Å
204	A	82	Confident	77.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-37.8	174.5	0	0	0	0	0	111.9	R200 L201 S208 A219 E222 I223	R200-A204 VanDerWaalsContact O-CB 3.31Å; R200-A204 WeakPolarHBondContact O-CB 3.33Å; R200-A204 PolarHBondContact O-N 3.38Å; L201-A204 PolarHBondContact O-N 3.22Å; A204-S208 VanDerWaalsContact O-CB 3.3Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.21Å; A204-S208 PolarHBondContact O-OG 3.06Å; A204-A219 HydrophobicContact CB-CB 4.39Å; A204-A219 WeakPolarHBondContact CB-O 3.28Å; A204-A219 WeakPolarHBondContact O-CB 3.14Å; A204-E222 HydrophobicContact CB-CB 4.14Å; A204-I223 HydrophobicContact CB-CB 4.12Å; A204-I223 HydrophobicContact CB-CD1 4.46Å
205	E	77.4	Confident	77.4	Confident	25 Å²	25	36.7 Å²	36.7	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-48.2	176	-149.5	68.1	-152.9	0	0	111.1	L125 L201 L202 Y203 L207 S208 R209 K239	L125-E205 HydrophobicContact CD1-CB 3.8Å; L125-E205 HydrophobicContact CD1-CG 3.52Å; L201-E205 WeakPolarHBondContact O-CB 3.47Å; L201-E205 PolarHBondContact O-N 3.23Å; L202-E205 WeakPolarHBondContact O-CB 3.43Å; L202-E205 PolarHBondContact O-N 3.48Å; Y203-E205 PolarHBondContact O-N 3.32Å; E205-L207 PolarHBondContact O-N 3.29Å; E205-S208 PolarHBondContact O-N 3.44Å; E205-S208 PolarHBondContact O-OG 3.27Å; E205-R209 PolarHBondContact O-N 2.95Å; E205-K239 IonicContact OE1-NZ 3.48Å; E205-K239 PolarHBondContact OE1-NZ 2.77Å; E205-K239 WeakPolarHBondContact OE2-CD 3.3Å; E205-K239 WeakPolarHBondContact OE2-CE 3.46Å; E205-K239 IonicContact OE2-NZ 3.01Å; E205-K239 PolarHBondContact OE2-NZ 2.58Å
206	T	78	Confident	77.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-39.7	177.2	57.4	0	0	0	0	112.9	I170 A182 S186 L202 Y203 R209	I170-T206 HydrophobicContact CG2-CG2 3.66Å; A182-T206 HydrophobicContact CB-CG2 4.39Å; S186-T206 PolarHBondContact OG-OG1 2.85Å; L202-T206 WeakPolarHBondContact O-CG2 3.47Å; L202-T206 PolarHBondContact O-N 2.82Å; L202-T206 PolarHBondContact O-OG1 2.75Å; Y203-T206 WeakPolarHBondContact CA-OG1 3.19Å; Y203-T206 PolarHBondContact O-N 2.89Å; Y203-T206 PolarHBondContact O-OG1 3.38Å; T206-R209 PolarHBondContact O-N 2.85Å
207	L	81.5	Confident	77.4	Confident	4 Å²	4	32 Å²	32	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-44.8	174.2	-75.4	167.8	0	0	0	110.8	I183 Y203 E205 R209 N210 S215 Q218 A219 E222	I183-L207 HydrophobicContact CD1-CD2 3.98Å; I183-L207 HydrophobicContact CG1-CD2 4.08Å; I183-L207 HydrophobicContact CG2-CD2 4.18Å; Y203-L207 HydrophobicContact CD1-CD1 4.24Å; Y203-L207 HydrophobicContact CD2-CD1 3.9Å; Y203-L207 HydrophobicContact CD2-CG 3.91Å; Y203-L207 HydrophobicContact CE1-CD1 3.97Å; Y203-L207 HydrophobicContact CE2-CD1 3.67Å; Y203-L207 HydrophobicContact CE2-CD2 3.98Å; Y203-L207 HydrophobicContact CE2-CG 3.65Å; Y203-L207 HydrophobicContact CG-CD1 4.2Å; Y203-L207 WeakPolarHBondContact O-CB 3.47Å; Y203-L207 WeakPolarHBondContact O-CG 3.04Å; Y203-L207 PolarHBondContact O-N 2.83Å; E205-L207 PolarHBondContact O-N 3.29Å; L207-R209 PolarHBondContact O-N 3.35Å; L207-R209 VanDerWaalsContact O-N 3.07Å; L207-N210 WeakPolarHBondContact O-CB 2.99Å; L207-N210 PolarHBondContact O-N 3.21Å; L207-S215 VanDerWaalsContact O-CB 3.26Å; L207-S215 WeakPolarHBondContact O-CB 3.47Å; L207-S215 PolarHBondContact O-OG 3.48Å; L207-S215 VanDerWaalsContact O-OG 3.11Å; L207-Q218 HydrophobicContact CD1-CB 4.13Å; L207-Q218 HydrophobicContact CD1-CG 3.85Å; L207-A219 HydrophobicContact CB-CB 3.78Å; L207-E222 HydrophobicContact CD1-CG 4.23Å
208	S	73.7	Confident	77.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-16.8	-178.5	71.8	0	0	0	0	114.7	A204 E205 K239 R246	A204-S208 VanDerWaalsContact O-CB 3.3Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.21Å; A204-S208 PolarHBondContact O-OG 3.06Å; E205-S208 PolarHBondContact O-N 3.44Å; E205-S208 PolarHBondContact O-OG 3.27Å; S208-K239 PolarHBondContact OG-NZ 3.06Å; S208-R246 PolarHBondContact O-NH1 3.23Å
209	R	67.7	Low	78.1	Confident	28 Å²	28	32.5 Å²	32.5	11%	0.106	18%	0.181	C	C	.	.	H	α-helix	trans	-87.9	-19.5	174.1	-72.3	-179.8	163.4	-163.2	-9.4	113.6	D113 L125 S174 N175 E205 T206 L207 P211	D113-R209 IonicContact OD1-NH2 3.47Å; D113-R209 PolarHBondContact OD1-NH2 2.85Å; D113-R209 VanDerWaalsContact OD1-NH2 3.14Å; D113-R209 IonicContact OD2-NH2 3.63Å; D113-R209 PolarHBondContact OD2-NH2 2.86Å; L125-R209 PolarHBondContact O-NH2 3.03Å; S174-R209 WeakPolarHBondContact OG-CD 3.33Å; N175-R209 PolarHBondContact OD1-NH1 2.96Å; N175-R209 VanDerWaalsContact OD1-NH1 3.11Å; E205-R209 PolarHBondContact O-N 2.95Å; T206-R209 PolarHBondContact O-N 2.85Å; L207-R209 PolarHBondContact O-N 3.35Å; L207-R209 VanDerWaalsContact O-N 3.07Å; R209-P211 WeakPolarHBondContact O-CD 3.47Å
210	N	73.5	Confident	78.4	Confident	25 Å²	25	32.7 Å²	32.7	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	-74.1	123.9	177.8	-173.9	-17.9	0	0	0	109.4	H179 I183 L207 S212 S215	H179-N210 HydrophobicContact CB-CB 4.23Å; I183-N210 HydrophobicContact CD1-CB 3.75Å; I183-N210 VanDerWaalsContact CD1-ND2 3.3Å; I183-N210 WeakPolarHBondContact CD1-ND2 3.2Å; L207-N210 WeakPolarHBondContact O-CB 2.99Å; L207-N210 PolarHBondContact O-N 3.21Å; N210-S212 PolarHBondContact O-N 3.35Å; N210-S212 PolarHBondContact OD1-N 3.05Å; N210-S212 VanDerWaalsContact OD1-N 3.09Å; N210-S212 PolarHBondContact OD1-OG 3.14Å; N210-S215 PolarHBondContact O-OG 3.4Å
211	P	64.8	Low	78.7	Confident	104 Å²	104	37.4 Å²	37.4	68%	0.675	21%	0.205	S	C	*	.			trans	-64.4	-8.4	-179.3	25.7	-35.2	0	0	0	114.6	R209	R209-P211 WeakPolarHBondContact O-CD 3.47Å
212	S	72.2	Confident	79.2	Confident	44 Å²	44	37.7 Å²	37.7	31%	0.308	21%	0.205	S	C	.	.	S	Bend	trans	-63.9	137.3	178.1	67.4	0	0	0	0	112.2	N210 D214 S215	N210-S212 PolarHBondContact O-N 3.35Å; N210-S212 PolarHBondContact OD1-N 3.05Å; N210-S212 VanDerWaalsContact OD1-N 3.09Å; N210-S212 PolarHBondContact OD1-OG 3.14Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.29Å; S212-S215 WeakPolarHBondContact O-CB 3.37Å; S212-S215 PolarHBondContact O-N 3.29Å; S212-S215 PolarHBondContact O-OG 3.45Å; S212-S215 WeakPolarHBondContact OG-CB 3.5Å
213	P	65	Low	79.7	Confident	81 Å²	81	36.5 Å²	36.5	53%	0.526	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-31.8	-174.3	22.8	-32.3	0	0	0	113.4	S215	P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.9Å
214	D	77.5	Confident	80	Confident	121 Å²	121	39 Å²	39	65%	0.647	22%	0.216	S	C	*	.	H	α-helix	trans	-73.8	-22.6	-179.4	-61.6	-30.2	0	0	0	112.2	S212 L216 S217 Q218	S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.29Å; D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 PolarHBondContact O-N 2.99Å; D214-S217 PolarHBondContact O-N 3.04Å; D214-S217 PolarHBondContact O-OG 2.84Å; D214-Q218 PolarHBondContact O-N 3.45Å; D214-Q218 VanDerWaalsContact O-N 3.11Å
215	S	81.6	Confident	80.4	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-39.7	-177.3	75.5	0	0	0	0	112.6	L207 N210 S212 P213 Q218 A219	L207-S215 VanDerWaalsContact O-CB 3.26Å; L207-S215 WeakPolarHBondContact O-CB 3.47Å; L207-S215 PolarHBondContact O-OG 3.48Å; L207-S215 VanDerWaalsContact O-OG 3.11Å; N210-S215 PolarHBondContact O-OG 3.4Å; S212-S215 WeakPolarHBondContact O-CB 3.37Å; S212-S215 PolarHBondContact O-N 3.29Å; S212-S215 PolarHBondContact O-OG 3.45Å; S212-S215 WeakPolarHBondContact OG-CB 3.5Å; P213-S215 VanDerWaalsContact C-N 3.29Å; P213-S215 PolarHBondContact O-N 2.9Å; S215-Q218 PolarHBondContact O-N 3.06Å; S215-A219 WeakPolarHBondContact O-CB 3.37Å; S215-A219 PolarHBondContact O-N 3.37Å
216	L	78.5	Confident	80.8	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-39.8	-178.7	-72.2	172.5	0	0	0	111.3	D214 Q218 A219 L220 L243 R246 L247	D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 PolarHBondContact O-N 2.99Å; L216-Q218 VanDerWaalsContact C-N 3.31Å; L216-Q218 PolarHBondContact O-N 2.93Å; L216-A219 PolarHBondContact O-N 2.97Å; L216-L220 PolarHBondContact O-N 3.25Å; L216-L243 HydrophobicContact CD2-CD2 3.96Å; L216-R246 HydrophobicContact CD1-CG 4.42Å; L216-L247 HydrophobicContact CB-CD2 3.99Å; L216-L247 HydrophobicContact CB-CG 4.49Å
217	S	84.2	Confident	81.3	Confident	48 Å²	48	43.7 Å²	43.7	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-38.1	175.9	79.7	0	0	0	0	111.4	D214 L220 K221	D214-S217 PolarHBondContact O-N 3.04Å; D214-S217 PolarHBondContact O-OG 2.84Å; S217-L220 PolarHBondContact O-N 3.35Å; S217-K221 WeakPolarHBondContact O-CG 3.48Å; S217-K221 PolarHBondContact O-N 3.3Å; S217-K221 VanDerWaalsContact O-N 3.13Å
218	Q	87.1	Confident	81.7	Confident	80 Å²	80	51.4 Å²	51.4	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-72.2	-39.7	176.8	-165.9	171.2	3.5	0	0	111.6	Y203 L207 D214 S215 L216 L220 K221 E222	Y203-Q218 PolarHBondContact OH-NE2 3.09Å; L207-Q218 HydrophobicContact CD1-CB 4.13Å; L207-Q218 HydrophobicContact CD1-CG 3.85Å; D214-Q218 PolarHBondContact O-N 3.45Å; D214-Q218 VanDerWaalsContact O-N 3.11Å; S215-Q218 PolarHBondContact O-N 3.06Å; L216-Q218 VanDerWaalsContact C-N 3.31Å; L216-Q218 PolarHBondContact O-N 2.93Å; Q218-L220 VanDerWaalsContact C-N 3.27Å; Q218-L220 PolarHBondContact O-N 3.4Å; Q218-K221 WeakPolarHBondContact O-CB 3.29Å; Q218-K221 PolarHBondContact O-N 3.33Å; Q218-K221 VanDerWaalsContact O-N 3.13Å; Q218-E222 PolarHBondContact O-N 3.26Å
219	A	86.1	Confident	82.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-41.9	172.9	0	0	0	0	0	111.1	A204 L207 S215 L216 E222 I223 L243	A204-A219 HydrophobicContact CB-CB 4.39Å; A204-A219 WeakPolarHBondContact CB-O 3.28Å; A204-A219 WeakPolarHBondContact O-CB 3.14Å; L207-A219 HydrophobicContact CB-CB 3.78Å; S215-A219 WeakPolarHBondContact O-CB 3.37Å; S215-A219 PolarHBondContact O-N 3.37Å; L216-A219 PolarHBondContact O-N 2.97Å; A219-E222 PolarHBondContact O-N 3.47Å; A219-I223 PolarHBondContact O-N 3.36Å; A219-L243 HydrophobicContact CB-CD1 3.91Å; A219-L243 HydrophobicContact CB-CD2 4.28Å
220	L	88.6	Confident	83	Confident	22 Å²	22	56.2 Å²	56.2	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-39.1	176	-176.8	64.4	0	0	0	111.9	L216 S217 Q218 I223 T224 K240 L243 L244 L247 Y249	L216-L220 PolarHBondContact O-N 3.25Å; S217-L220 PolarHBondContact O-N 3.35Å; Q218-L220 VanDerWaalsContact C-N 3.27Å; Q218-L220 PolarHBondContact O-N 3.4Å; L220-I223 HydrophobicContact CD1-CG2 4.21Å; L220-I223 WeakPolarHBondContact O-CG2 3.39Å; L220-T224 VanDerWaalsContact O-CB 3.31Å; L220-T224 WeakPolarHBondContact O-CB 3.39Å; L220-T224 PolarHBondContact O-N 3.29Å; L220-T224 PolarHBondContact O-OG1 3.28Å; L220-K240 HydrophobicContact CD1-CG 4.04Å; L220-L243 HydrophobicContact CD1-CB 4.11Å; L220-L244 HydrophobicContact CD1-CD2 3.8Å; L220-L244 HydrophobicContact CD1-CG 4.01Å; L220-L244 HydrophobicContact CD2-CD2 3.85Å; L220-L244 HydrophobicContact CG-CD2 4.49Å; L220-L247 HydrophobicContact CB-CD1 4.14Å; L220-L247 HydrophobicContact CD2-CD1 3.7Å; L220-L247 HydrophobicContact CG-CD1 4.47Å; L220-Y249 HydrophobicContact CD2-CD2 4.04Å; L220-Y249 HydrophobicContact CD2-CE2 4.02Å
221	K	90.3	Very high	83.3	Confident	135 Å²	135	56.3 Å²	56.3	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-62.3	-50.1	174.4	-71.9	174.7	-177.7	176.7	0	111.1	S217 Q218 I223 T224 F225	S217-K221 WeakPolarHBondContact O-CG 3.48Å; S217-K221 PolarHBondContact O-N 3.3Å; S217-K221 VanDerWaalsContact O-N 3.13Å; Q218-K221 WeakPolarHBondContact O-CB 3.29Å; Q218-K221 PolarHBondContact O-N 3.33Å; Q218-K221 VanDerWaalsContact O-N 3.13Å; K221-I223 PolarHBondContact O-N 3.27Å; K221-T224 WeakPolarHBondContact O-CB 3.2Å; K221-T224 PolarHBondContact O-N 3.09Å; K221-T224 VanDerWaalsContact O-N 3.17Å; K221-F225 WeakPolarHBondContact O-CD2 3.29Å; K221-F225 PolarHBondContact O-N 3.07Å
222	E	90.1	Very high	84	Confident	27 Å²	27	55.6 Å²	55.6	13%	0.126	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-41.4	-177.8	-69	-57.8	148.6	0	0	113	R200 Y203 A204 L207 Q218 A219 T224 F225 A226	R200-E222 IonicContact CZ-OE2 3.26Å; R200-E222 IonicContact NH1-OE2 2.74Å; R200-E222 PolarHBondContact NH1-OE2 3.02Å; Y203-E222 HydrophobicContact CD1-CB 4.43Å; Y203-E222 HydrophobicContact CD1-CG 3.6Å; Y203-E222 HydrophobicContact CE1-CG 3.77Å; A204-E222 HydrophobicContact CB-CB 4.14Å; L207-E222 HydrophobicContact CD1-CG 4.23Å; Q218-E222 PolarHBondContact O-N 3.26Å; A219-E222 PolarHBondContact O-N 3.47Å; E222-T224 VanDerWaalsContact C-N 3.3Å; E222-T224 PolarHBondContact O-N 3.36Å; E222-F225 PolarHBondContact O-N 3.44Å; E222-A226 PolarHBondContact O-N 3.31Å
223	I	89.9	Confident	84.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.3	-32.9	176.1	-159.7	65.3	0	0	0	111.7	L201 A204 A219 L220 K221 F225 A226 V227 Y236 K239 K240 L243	L201-I223 HydrophobicContact CB-CD1 4.36Å; L201-I223 HydrophobicContact CD1-CD1 3.52Å; A204-I223 HydrophobicContact CB-CB 4.12Å; A204-I223 HydrophobicContact CB-CD1 4.46Å; A219-I223 PolarHBondContact O-N 3.36Å; L220-I223 HydrophobicContact CD1-CG2 4.21Å; L220-I223 WeakPolarHBondContact O-CG2 3.39Å; K221-I223 PolarHBondContact O-N 3.27Å; I223-F225 VanDerWaalsContact C-N 3.33Å; I223-F225 PolarHBondContact O-N 3.44Å; I223-A226 HydrophobicContact CD1-CB 4.26Å; I223-A226 WeakPolarHBondContact O-CB 3.4Å; I223-A226 PolarHBondContact O-N 3.48Å; I223-A226 VanDerWaalsContact O-N 3.17Å; I223-V227 WeakPolarHBondContact O-CG2 3.45Å; I223-V227 PolarHBondContact O-N 2.06Å; I223-Y236 HydrophobicContact CD1-CD1 4.47Å; I223-Y236 WeakPolarHBondContact CG1-O 3.38Å; I223-K239 HydrophobicContact CD1-CB 3.94Å; I223-K239 HydrophobicContact CD1-CG 3.95Å; I223-K239 HydrophobicContact CG1-CB 4.06Å; I223-K239 HydrophobicContact CG1-CG 4.06Å; I223-K240 HydrophobicContact CG1-CB 4.16Å; I223-K240 HydrophobicContact CG2-CB 3.85Å; I223-K240 HydrophobicContact CG2-CG 4Å; I223-L243 HydrophobicContact CB-CD1 4.45Å; I223-L243 HydrophobicContact CG2-CD1 3.93Å
224	T	91.2	Very high	85	Confident	59 Å²	59	52.8 Å²	52.8	36%	0.362	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-39.5	176	-59.8	0	0	0	0	110.8	L220 K221 E222 V227 H228	L220-T224 VanDerWaalsContact O-CB 3.31Å; L220-T224 WeakPolarHBondContact O-CB 3.39Å; L220-T224 PolarHBondContact O-N 3.29Å; L220-T224 PolarHBondContact O-OG1 3.28Å; K221-T224 WeakPolarHBondContact O-CB 3.2Å; K221-T224 PolarHBondContact O-N 3.09Å; K221-T224 VanDerWaalsContact O-N 3.17Å; E222-T224 VanDerWaalsContact C-N 3.3Å; E222-T224 PolarHBondContact O-N 3.36Å; T224-V227 PolarHBondContact O-N 3.01Å; T224-H228 PolarHBondContact O-N 3.37Å
225	F	89.4	Confident	84.8	Confident	110 Å²	110	49.7 Å²	49.7	48%	0.482	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-41.8	170.2	-75.4	-66.5	0	0	0	112.4	K221 E222 I223 V227 H228 I229	K221-F225 WeakPolarHBondContact O-CD2 3.29Å; K221-F225 PolarHBondContact O-N 3.07Å; E222-F225 PolarHBondContact O-N 3.44Å; I223-F225 VanDerWaalsContact C-N 3.33Å; I223-F225 PolarHBondContact O-N 3.44Å; F225-V227 VanDerWaalsContact C-N 3.32Å; F225-V227 PolarHBondContact O-N 3.45Å; F225-H228 WeakPolarHBondContact O-CB 3.31Å; F225-H228 PolarHBondContact O-N 3.46Å; F225-H228 VanDerWaalsContact O-N 3.14Å; F225-I229 WeakPolarHBondContact O-CG1 3.33Å; F225-I229 PolarHBondContact O-N 3.33Å
226	A	85.7	Confident	84.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-42.2	176.6	0	0	0	0	0	112.2	P197 R200 E222 I223 H228 I229 N230 Y236	P197-A226 HydrophobicContact CB-CB 4.22Å; R200-A226 HydrophobicContact CB-CB 3.91Å; E222-A226 PolarHBondContact O-N 3.31Å; I223-A226 HydrophobicContact CD1-CB 4.26Å; I223-A226 WeakPolarHBondContact O-CB 3.4Å; I223-A226 PolarHBondContact O-N 3.48Å; I223-A226 VanDerWaalsContact O-N 3.17Å; A226-H228 VanDerWaalsContact C-N 3.34Å; A226-I229 PolarHBondContact O-N 2.95Å; A226-N230 PolarHBondContact O-N 2.92Å; A226-Y236 HydrophobicContact CB-CD1 4.31Å; A226-Y236 HydrophobicContact CB-CG 4.3Å
227	V	88.5	Confident	85.2	Confident	12 Å²	12	51.6 Å²	51.6	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-36	174.5	173.9	0	0	0	0	111.4	I223 T224 F225 N230 G231 R237 K240	I223-V227 WeakPolarHBondContact O-CG2 3.45Å; I223-V227 PolarHBondContact O-N 2.06Å; T224-V227 PolarHBondContact O-N 3.01Å; F225-V227 VanDerWaalsContact C-N 3.32Å; F225-V227 PolarHBondContact O-N 3.45Å; V227-N230 CarbonylContact O-C 3.34Å; V227-N230 PolarHBondContact O-N 3.04Å; V227-G231 WeakPolarHBondContact O-CA 3.43Å; V227-G231 PolarHBondContact O-N 3.46Å; V227-R237 HydrophobicContact CG1-CG 4.14Å; V227-R237 HydrophobicContact CG2-CG 4.15Å; V227-K240 HydrophobicContact CG2-CB 4.5Å; V227-K240 HydrophobicContact CG2-CD 4.26Å
228	H	89.3	Confident	85.1	Confident	167 Å²	167	49.3 Å²	49.3	77%	0.773	26%	0.258	S	S	*	.	H	α-helix	trans	-66	-38.5	176.3	-170.3	53	0	0	0	112.4	T224 F225 A226	T224-H228 PolarHBondContact O-N 3.37Å; F225-H228 WeakPolarHBondContact O-CB 3.31Å; F225-H228 PolarHBondContact O-N 3.46Å; F225-H228 VanDerWaalsContact O-N 3.14Å; A226-H228 VanDerWaalsContact C-N 3.34Å
229	I	85.7	Confident	84.7	Confident	75 Å²	75	45.7 Å²	45.7	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-69.7	-41.2	176.3	-63.8	165.3	0	0	0	111.1	P197 F225 A226	P197-I229 HydrophobicContact CB-CB 4.25Å; P197-I229 HydrophobicContact CB-CG2 4.13Å; P197-I229 HydrophobicContact CG-CG2 4.03Å; F225-I229 WeakPolarHBondContact O-CG1 3.33Å; F225-I229 PolarHBondContact O-N 3.33Å; A226-I229 PolarHBondContact O-N 2.95Å
230	N	83.2	Confident	84.8	Confident	53 Å²	53	47.4 Å²	47.4	28%	0.283	25%	0.248	S	C	.	.			trans	-136.4	82.3	-179	-173.6	-8.4	0	0	0	111.5	P197 A226 V227 S232 S233 Y236	P197-N230 HydrophobicContact CB-CB 4.39Å; P197-N230 HydrophobicContact CG-CB 4.08Å; A226-N230 PolarHBondContact O-N 2.92Å; V227-N230 CarbonylContact O-C 3.34Å; V227-N230 PolarHBondContact O-N 3.04Å; N230-S232 VanDerWaalsContact C-N 3.33Å; N230-S232 PolarHBondContact O-N 3.22Å; N230-S232 PolarHBondContact OD1-OG 3.2Å; N230-S233 PolarHBondContact OD1-N 2.86Å; N230-Y236 HydrophobicContact CB-CD2 4.1Å; N230-Y236 HydrophobicContact CB-CE2 3.8Å
231	G	80.6	Confident	84.6	Confident	28 Å²	28	46.3 Å²	46.3	29%	0.289	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.7	-174.4	0	0	0	0	0	115.6	V227 R237	V227-G231 WeakPolarHBondContact O-CA 3.43Å; V227-G231 PolarHBondContact O-N 3.46Å; G231-R237 VanDerWaalsContact O-CZ 3.28Å; G231-R237 PolarHBondContact O-NE 3.39Å; G231-R237 PolarHBondContact O-NH2 2.83Å
232	S	79.3	Confident	84	Confident	89 Å²	89	40.4 Å²	40.4	62%	0.622	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-12.7	179.1	57.2	0	0	0	0	113.2	N230 T234	N230-S232 VanDerWaalsContact C-N 3.33Å; N230-S232 PolarHBondContact O-N 3.22Å; N230-S232 PolarHBondContact OD1-OG 3.2Å; S232-T234 PolarHBondContact O-N 3.08Å
233	S	79.5	Confident	83.4	Confident	28 Å²	28	39.2 Å²	39.2	20%	0.196	21%	0.213	C	C	.	.			trans	-79.3	116.7	-179.6	-174.5	0	0	0	0	112	N230 L235 Y236	N230-S233 PolarHBondContact OD1-N 2.86Å; S233-L235 PolarHBondContact O-N 3.38Å; S233-Y236 VanDerWaalsContact CB-CD2 3.47Å; S233-Y236 PolarHBondContact O-N 2.9Å
234	T	78.9	Confident	83.1	Confident	38 Å²	38	39.4 Å²	39.4	23%	0.233	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-23.4	174.2	54.1	0	0	0	0	112.9	S232 G238 I263 L264 P295	S232-T234 PolarHBondContact O-N 3.08Å; T234-G238 PolarHBondContact O-N 3.24Å; T234-I263 HydrophobicContact CG2-CB 4.25Å; T234-I263 HydrophobicContact CG2-CG2 3.56Å; T234-L264 HydrophobicContact CG2-CD2 4.29Å; T234-P295 HydrophobicContact CG2-CG 4.45Å
235	L	73.8	Confident	82.2	Confident	56 Å²	56	37.7 Å²	37.7	29%	0.293	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-49.1	179.2	-177.8	67.9	0	0	0	111.8	L201 S233 K239 V291	L201-L235 HydrophobicContact CD2-CD2 3.53Å; L201-L235 HydrophobicContact CD2-CG 3.8Å; S233-L235 PolarHBondContact O-N 3.38Å; L235-K239 PolarHBondContact O-N 3.32Å; L235-V291 HydrophobicContact CD1-CG1 4.49Å
236	Y	82	Confident	81.3	Confident	21 Å²	21	36.7 Å²	36.7	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-41.6	-178.5	-51.9	-48.3	0	0	0	111.4	P197 L201 I223 A226 N230 S233 K239 K240	P197-Y236 HydrophobicContact CB-CD2 4.46Å; P197-Y236 HydrophobicContact CB-CE1 4.4Å; P197-Y236 HydrophobicContact CB-CE2 3.82Å; P197-Y236 HydrophobicContact CG-CE2 4.03Å; L201-Y236 HydrophobicContact CB-CD1 3.85Å; L201-Y236 HydrophobicContact CB-CE1 3.75Å; L201-Y236 HydrophobicContact CD1-CD1 4.3Å; L201-Y236 HydrophobicContact CD2-CD1 3.89Å; L201-Y236 HydrophobicContact CD2-CE1 3.71Å; L201-Y236 HydrophobicContact CG-CD1 4.23Å; L201-Y236 HydrophobicContact CG-CE1 4.27Å; I223-Y236 HydrophobicContact CD1-CD1 4.47Å; I223-Y236 WeakPolarHBondContact CG1-O 3.38Å; A226-Y236 HydrophobicContact CB-CD1 4.31Å; A226-Y236 HydrophobicContact CB-CG 4.3Å; N230-Y236 HydrophobicContact CB-CD2 4.1Å; N230-Y236 HydrophobicContact CB-CE2 3.8Å; S233-Y236 VanDerWaalsContact CB-CD2 3.47Å; S233-Y236 PolarHBondContact O-N 2.9Å; Y236-K239 PolarHBondContact O-N 2.92Å; Y236-K240 PolarHBondContact O-N 2.73Å
237	R	86.6	Confident	80.8	Confident	35 Å²	35	38.7 Å²	38.7	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176.8	-64.7	-168.5	175.2	-86	4	112.4	V227 G231 K239 K240 L241 E256 I260	V227-R237 HydrophobicContact CG1-CG 4.14Å; V227-R237 HydrophobicContact CG2-CG 4.15Å; G231-R237 VanDerWaalsContact O-CZ 3.28Å; G231-R237 PolarHBondContact O-NE 3.39Å; G231-R237 PolarHBondContact O-NH2 2.83Å; R237-K239 VanDerWaalsContact C-N 3.34Å; R237-K239 PolarHBondContact O-N 3.48Å; R237-K240 WeakPolarHBondContact O-CB 3.25Å; R237-K240 PolarHBondContact O-N 2.04Å; R237-K240 VanDerWaalsContact O-N 3.14Å; R237-L241 PolarHBondContact O-N 3Å; R237-E256 WeakPolarHBondContact CB-OE1 3.35Å; R237-E256 WeakPolarHBondContact CD-OE1 3.42Å; R237-E256 WeakPolarHBondContact CG-OE1 3.26Å; R237-E256 IonicContact CZ-OE1 2.74Å; R237-E256 IonicContact NE-OE1 3.11Å; R237-E256 IonicContact NH1-OE1 3.77Å; R237-E256 PolarHBondContact NH1-OE1 3.38Å; R237-E256 IonicContact NH1-OE2 2.64Å; R237-I260 HydrophobicContact CB-CD1 3.96Å; R237-I260 HydrophobicContact CB-CG1 3.64Å
238	G	80.5	Confident	80.1	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-42.7	175.9	0	0	0	0	0	112.4	T234 L241 S242 Y298	T234-G238 PolarHBondContact O-N 3.24Å; G238-L241 PolarHBondContact O-N 2.87Å; G238-S242 PolarHBondContact O-N 3.06Å; G238-Y298 WeakPolarHBondContact O-CD2 3.22Å
239	K	79.8	Confident	79.7	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-38.2	174.3	-177.4	61.1	-180	-166.5	0	112.3	L201 E205 S208 I223 L235 Y236 R237 S242 L243	L201-K239 HydrophobicContact CD1-CB 3.97Å; L201-K239 HydrophobicContact CD1-CG 3.96Å; E205-K239 IonicContact OE1-NZ 3.48Å; E205-K239 PolarHBondContact OE1-NZ 2.77Å; E205-K239 WeakPolarHBondContact OE2-CD 3.3Å; E205-K239 WeakPolarHBondContact OE2-CE 3.46Å; E205-K239 IonicContact OE2-NZ 3.01Å; E205-K239 PolarHBondContact OE2-NZ 2.58Å; S208-K239 PolarHBondContact OG-NZ 3.06Å; I223-K239 HydrophobicContact CD1-CB 3.94Å; I223-K239 HydrophobicContact CD1-CG 3.95Å; I223-K239 HydrophobicContact CG1-CB 4.06Å; I223-K239 HydrophobicContact CG1-CG 4.06Å; L235-K239 PolarHBondContact O-N 3.32Å; Y236-K239 PolarHBondContact O-N 2.92Å; R237-K239 VanDerWaalsContact C-N 3.34Å; R237-K239 PolarHBondContact O-N 3.48Å; K239-S242 WeakPolarHBondContact O-CB 3.09Å; K239-S242 PolarHBondContact O-N 3.04Å; K239-L243 HydrophobicContact CG-CD1 4.42Å; K239-L243 WeakPolarHBondContact O-CG 3.36Å; K239-L243 PolarHBondContact O-N 3.07Å
240	K	88	Confident	79.3	Confident	36 Å²	36	34.8 Å²	34.8	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-48.1	174.3	-174.1	180	172	-154.5	0	111.3	L220 I223 V227 Y236 R237 S242 L243 L244 E256	L220-K240 HydrophobicContact CD1-CG 4.04Å; I223-K240 HydrophobicContact CG1-CB 4.16Å; I223-K240 HydrophobicContact CG2-CB 3.85Å; I223-K240 HydrophobicContact CG2-CG 4Å; V227-K240 HydrophobicContact CG2-CB 4.5Å; V227-K240 HydrophobicContact CG2-CD 4.26Å; Y236-K240 PolarHBondContact O-N 2.73Å; R237-K240 WeakPolarHBondContact O-CB 3.25Å; R237-K240 PolarHBondContact O-N 2.04Å; R237-K240 VanDerWaalsContact O-N 3.14Å; K240-S242 VanDerWaalsContact C-N 3.33Å; K240-S242 PolarHBondContact O-N 3.29Å; K240-L243 PolarHBondContact O-N 3.01Å; K240-L243 VanDerWaalsContact O-N 3.15Å; K240-L244 HydrophobicContact CG-CD1 4.11Å; K240-L244 HydrophobicContact CG-CG 4.45Å; K240-L244 VanDerWaalsContact O-CG 3.31Å; K240-L244 WeakPolarHBondContact O-CG 3.15Å; K240-L244 PolarHBondContact O-N 3Å; K240-E256 HydrophobicContact CB-CG 4.44Å; K240-E256 HydrophobicContact CD-CG 4.21Å; K240-E256 WeakPolarHBondContact CD-OE2 3.46Å; K240-E256 WeakPolarHBondContact CE-OE2 3.37Å; K240-E256 HydrophobicContact CG-CG 4.36Å; K240-E256 IonicContact NZ-OE2 3.82Å; K240-E256 PolarHBondContact NZ-OE2 3.47Å
241	L	84.1	Confident	79.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-46.9	175.4	178.8	58.6	0	0	0	111.4	R237 G238 L243 L244 L245 A253 E256 A257 I260 L299 F302	R237-L241 PolarHBondContact O-N 3Å; G238-L241 PolarHBondContact O-N 2.87Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L241-L243 PolarHBondContact O-N 3.22Å; L241-L244 PolarHBondContact O-N 3.36Å; L241-L245 HydrophobicContact CD1-CD1 4.47Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.35Å; L241-L245 WeakPolarHBondContact O-CG 3.42Å; L241-L245 PolarHBondContact O-N 3.33Å; L241-A253 HydrophobicContact CD1-CB 3.75Å; L241-A253 VanDerWaalsContact CD1-O 3.28Å; L241-A253 WeakPolarHBondContact CD1-O 3.45Å; L241-E256 HydrophobicContact CB-CG 4.36Å; L241-A257 HydrophobicContact CD1-CB 4.32Å; L241-A257 HydrophobicContact CD2-CB 4.2Å; L241-I260 HydrophobicContact CB-CD1 4.11Å; L241-I260 HydrophobicContact CD2-CD1 3.82Å; L241-L299 HydrophobicContact CD2-CD2 4.44Å; L241-F302 HydrophobicContact CD1-CB 4.31Å; L241-F302 HydrophobicContact CD1-CD2 4.32Å; L241-F302 HydrophobicContact CD2-CB 4.21Å
242	S	77.5	Confident	79.6	Confident	11 Å²	11	43.3 Å²	43.3	8%	0.077	22%	0.215	C	C	.	.	H	α-helix	trans	-56.4	-43.1	175.7	176.5	0	0	0	0	113.2	G238 K239 K240 R246	G238-S242 PolarHBondContact O-N 3.06Å; K239-S242 WeakPolarHBondContact O-CB 3.09Å; K239-S242 PolarHBondContact O-N 3.04Å; K240-S242 VanDerWaalsContact C-N 3.33Å; K240-S242 PolarHBondContact O-N 3.29Å; S242-R246 WeakPolarHBondContact O-CB 3.46Å; S242-R246 PolarHBondContact O-N 3.1Å; S242-R246 VanDerWaalsContact O-N 3.13Å
243	L	78.6	Confident	79.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-70.4	-37.2	177.9	-72.6	170.8	0	0	0	112.5	L216 A219 L220 I223 K239 K240 L241 R246 L247	L216-L243 HydrophobicContact CD2-CD2 3.96Å; A219-L243 HydrophobicContact CB-CD1 3.91Å; A219-L243 HydrophobicContact CB-CD2 4.28Å; L220-L243 HydrophobicContact CD1-CB 4.11Å; I223-L243 HydrophobicContact CB-CD1 4.45Å; I223-L243 HydrophobicContact CG2-CD1 3.93Å; K239-L243 HydrophobicContact CG-CD1 4.42Å; K239-L243 WeakPolarHBondContact O-CG 3.36Å; K239-L243 PolarHBondContact O-N 3.07Å; K240-L243 PolarHBondContact O-N 3.01Å; K240-L243 VanDerWaalsContact O-N 3.15Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L241-L243 PolarHBondContact O-N 3.22Å; L243-R246 PolarHBondContact O-N 3.15Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 2.99Å
244	L	82.6	Confident	80.4	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-45.8	175.5	-69.3	170.2	0	0	0	111.5	L220 K240 L241 R246 L247 G248 Y249 E252 A253 E256	L220-L244 HydrophobicContact CD1-CD2 3.8Å; L220-L244 HydrophobicContact CD1-CG 4.01Å; L220-L244 HydrophobicContact CD2-CD2 3.85Å; L220-L244 HydrophobicContact CG-CD2 4.49Å; K240-L244 HydrophobicContact CG-CD1 4.11Å; K240-L244 HydrophobicContact CG-CG 4.45Å; K240-L244 VanDerWaalsContact O-CG 3.31Å; K240-L244 WeakPolarHBondContact O-CG 3.15Å; K240-L244 PolarHBondContact O-N 3Å; L241-L244 PolarHBondContact O-N 3.36Å; L244-R246 VanDerWaalsContact C-N 3.31Å; L244-R246 PolarHBondContact O-N 2.85Å; L244-L247 PolarHBondContact O-N 2.96Å; L244-G248 PolarHBondContact O-N 3.26Å; L244-Y249 HydrophobicContact CD2-CD2 3.93Å; L244-Y249 HydrophobicContact CD2-CG 4.46Å; L244-Y249 PolarHBondContact O-N 3.24Å; L244-E252 HydrophobicContact CD1-CB 4.03Å; L244-E252 HydrophobicContact CD2-CB 3.84Å; L244-A253 HydrophobicContact CB-CB 3.99Å; L244-E256 HydrophobicContact CD1-CB 4.04Å; L244-E256 HydrophobicContact CD1-CG 4.47Å
245	L	73.7	Confident	80.9	Confident	23 Å²	23	47.4 Å²	47.4	12%	0.12	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-42.7	174.6	-70.6	176.7	0	0	0	111.7	L241 L247 G248 L250 A253 L301 F302 T305	L241-L245 HydrophobicContact CD1-CD1 4.47Å; L241-L245 HydrophobicContact CD1-CG 4.31Å; L241-L245 HydrophobicContact CG-CD1 4.35Å; L241-L245 WeakPolarHBondContact O-CG 3.42Å; L241-L245 PolarHBondContact O-N 3.33Å; L245-L247 PolarHBondContact O-N 3.2Å; L245-G248 PolarHBondContact O-N 2.99Å; L245-L250 HydrophobicContact CD2-CD2 4.47Å; L245-A253 HydrophobicContact CD2-CB 4.03Å; L245-A253 HydrophobicContact CG-CB 4.45Å; L245-L301 HydrophobicContact CD1-CB 4.09Å; L245-F302 HydrophobicContact CD1-CB 4.22Å; L245-F302 HydrophobicContact CD2-CB 4.5Å; L245-F302 HydrophobicContact CD2-CD2 4.1Å; L245-T305 HydrophobicContact CD2-CG2 4.34Å; L245-T305 WeakPolarHBondContact CD2-OG1 3.47Å
246	R	68.9	Low	81.8	Confident	89 Å²	89	44.8 Å²	44.8	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-33.5	179.4	-170.7	171.1	179.5	-170.8	-4.2	113.3	S208 L216 S242 L243 L244 G248	S208-R246 PolarHBondContact O-NH1 3.23Å; L216-R246 HydrophobicContact CD1-CG 4.42Å; S242-R246 WeakPolarHBondContact O-CB 3.46Å; S242-R246 PolarHBondContact O-N 3.1Å; S242-R246 VanDerWaalsContact O-N 3.13Å; L243-R246 PolarHBondContact O-N 3.15Å; L244-R246 VanDerWaalsContact C-N 3.31Å; L244-R246 PolarHBondContact O-N 2.85Å; R246-G248 VanDerWaalsContact C-N 3.32Å
247	L	76.6	Confident	82.1	Confident	43 Å²	43	43.9 Å²	43.9	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-82.5	-9.9	175.5	-73.3	166.7	0	0	0	113	L216 L220 L243 L244 L245 Y249	L216-L247 HydrophobicContact CB-CD2 3.99Å; L216-L247 HydrophobicContact CB-CG 4.49Å; L220-L247 HydrophobicContact CB-CD1 4.14Å; L220-L247 HydrophobicContact CD2-CD1 3.7Å; L220-L247 HydrophobicContact CG-CD1 4.47Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 2.99Å; L244-L247 PolarHBondContact O-N 2.96Å; L245-L247 PolarHBondContact O-N 3.2Å; L247-Y249 HydrophobicContact CB-CD1 4.42Å; L247-Y249 HydrophobicContact CB-CD2 3.97Å; L247-Y249 HydrophobicContact CB-CE1 4.45Å; L247-Y249 HydrophobicContact CB-CE2 4.01Å; L247-Y249 HydrophobicContact CB-CG 4.18Å; L247-Y249 HydrophobicContact CD1-CD2 4.32Å; L247-Y249 HydrophobicContact CD1-CE2 3.99Å
248	G	72.4	Confident	82.2	Confident	14 Å²	14	43.9 Å²	43.9	14%	0.144	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	15.7	-179.3	0	0	0	0	0	114.8	L244 L245 R246 L250	L244-G248 PolarHBondContact O-N 3.26Å; L245-G248 PolarHBondContact O-N 2.99Å; R246-G248 VanDerWaalsContact C-N 3.32Å; G248-L250 VanDerWaalsContact C-N 3.32Å; G248-L250 PolarHBondContact O-N 3.26Å
249	Y	82.1	Confident	82.6	Confident	106 Å²	106	47.4 Å²	47.4	42%	0.416	23%	0.227	S	C	.	.			trans	-84	72.5	-179.1	-64.7	-15.2	0	0	0	110.6	L220 L244 L247 K251 E252 A253	L220-Y249 HydrophobicContact CD2-CD2 4.04Å; L220-Y249 HydrophobicContact CD2-CE2 4.02Å; L244-Y249 HydrophobicContact CD2-CD2 3.93Å; L244-Y249 HydrophobicContact CD2-CG 4.46Å; L244-Y249 PolarHBondContact O-N 3.24Å; L247-Y249 HydrophobicContact CB-CD1 4.42Å; L247-Y249 HydrophobicContact CB-CD2 3.97Å; L247-Y249 HydrophobicContact CB-CE1 4.45Å; L247-Y249 HydrophobicContact CB-CE2 4.01Å; L247-Y249 HydrophobicContact CB-CG 4.18Å; L247-Y249 HydrophobicContact CD1-CD2 4.32Å; L247-Y249 HydrophobicContact CD1-CE2 3.99Å; Y249-K251 PolarHBondContact O-N 3.38Å; Y249-E252 WeakPolarHBondContact CB-OE2 3.27Å; Y249-A253 VanDerWaalsContact O-CB 3.27Å; Y249-A253 WeakPolarHBondContact O-CB 3.31Å; Y249-A253 PolarHBondContact O-N 2.97Å
250	L	76.5	Confident	82.9	Confident	51 Å²	51	47.2 Å²	47.2	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-37.2	-170.5	-70.5	172.5	0	0	0	113.9	L245 G248 A253 Q254	L245-L250 HydrophobicContact CD2-CD2 4.47Å; G248-L250 VanDerWaalsContact C-N 3.32Å; G248-L250 PolarHBondContact O-N 3.26Å; L250-A253 WeakPolarHBondContact O-CB 3.34Å; L250-A253 PolarHBondContact O-N 2.93Å; L250-Q254 PolarHBondContact O-N 3.02Å
251	K	82.1	Confident	82.8	Confident	167 Å²	167	48.7 Å²	48.7	73%	0.726	23%	0.234	S	C	*	.	H	α-helix	trans	-66.5	-47.7	179.6	-72	-174	179.5	-178.9	0	111.1	Y249 A253 Q254 E255	Y249-K251 PolarHBondContact O-N 3.38Å; K251-A253 VanDerWaalsContact C-N 3.28Å; K251-A253 PolarHBondContact O-N 3.06Å; K251-Q254 WeakPolarHBondContact O-CB 3.25Å; K251-Q254 PolarHBondContact O-N 3.33Å; K251-E255 PolarHBondContact O-N 2.83Å; K251-E255 VanDerWaalsContact O-N 3.14Å
252	E	88.3	Confident	82.8	Confident	94 Å²	94	53.1 Å²	53.1	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-35.4	175.8	-62	90.3	158.4	0	0	111.4	L244 Y249 E255 E256	L244-E252 HydrophobicContact CD1-CB 4.03Å; L244-E252 HydrophobicContact CD2-CB 3.84Å; Y249-E252 WeakPolarHBondContact CB-OE2 3.27Å; E252-E255 PolarHBondContact O-N 2.75Å; E252-E256 WeakPolarHBondContact O-CB 3.48Å; E252-E256 PolarHBondContact O-N 2.92Å
253	A	86.5	Confident	83.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-42.3	174.4	0	0	0	0	0	111.4	L241 L244 L245 Y249 L250 K251 E256 A257 F302	L241-A253 HydrophobicContact CD1-CB 3.75Å; L241-A253 VanDerWaalsContact CD1-O 3.28Å; L241-A253 WeakPolarHBondContact CD1-O 3.45Å; L244-A253 HydrophobicContact CB-CB 3.99Å; L245-A253 HydrophobicContact CD2-CB 4.03Å; L245-A253 HydrophobicContact CG-CB 4.45Å; Y249-A253 VanDerWaalsContact O-CB 3.27Å; Y249-A253 WeakPolarHBondContact O-CB 3.31Å; Y249-A253 PolarHBondContact O-N 2.97Å; L250-A253 WeakPolarHBondContact O-CB 3.34Å; L250-A253 PolarHBondContact O-N 2.93Å; K251-A253 VanDerWaalsContact C-N 3.28Å; K251-A253 PolarHBondContact O-N 3.06Å; A253-E256 PolarHBondContact O-N 3.07Å; A253-A257 VanDerWaalsContact O-CB 3.32Å; A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.33Å; A253-F302 HydrophobicContact CB-CD2 4.08Å; A253-F302 HydrophobicContact CB-CE2 4.23Å
254	Q	88.7	Confident	83.1	Confident	114 Å²	114	54.8 Å²	54.8	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-44.7	176.7	-176.1	175.6	7.2	0	0	112.1	L250 K251 E256 A257 G258 F302	L250-Q254 PolarHBondContact O-N 3.02Å; K251-Q254 WeakPolarHBondContact O-CB 3.25Å; K251-Q254 PolarHBondContact O-N 3.33Å; Q254-E256 VanDerWaalsContact C-N 3.31Å; Q254-E256 PolarHBondContact O-N 3.24Å; Q254-A257 PolarHBondContact O-N 2.86Å; Q254-G258 PolarHBondContact O-N 3.44Å; Q254-F302 HydrophobicContact CB-CE2 3.91Å; Q254-F302 HydrophobicContact CB-CZ 3.7Å; Q254-F302 HydrophobicContact CG-CZ 3.89Å
255	E	90.5	Very high	82.6	Confident	126 Å²	126	59.1 Å²	59.1	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-62.7	-38.2	175	-70.1	-175.5	-171.1	0	0	112.6	K251 E252 K259	K251-E255 PolarHBondContact O-N 2.83Å; K251-E255 VanDerWaalsContact O-N 3.14Å; E252-E255 PolarHBondContact O-N 2.75Å; E255-K259 WeakPolarHBondContact O-CG 3.1Å; E255-K259 PolarHBondContact O-N 3.19Å
256	E	91.3	Very high	82.5	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-73	-38.2	179.3	-161.5	63.2	-141.5	0	0	111.7	R237 K240 L241 L244 E252 A253 Q254 K259 I260	R237-E256 WeakPolarHBondContact CB-OE1 3.35Å; R237-E256 WeakPolarHBondContact CD-OE1 3.42Å; R237-E256 WeakPolarHBondContact CG-OE1 3.26Å; R237-E256 IonicContact CZ-OE1 2.74Å; R237-E256 IonicContact NE-OE1 3.11Å; R237-E256 IonicContact NH1-OE1 3.77Å; R237-E256 PolarHBondContact NH1-OE1 3.38Å; R237-E256 IonicContact NH1-OE2 2.64Å; K240-E256 HydrophobicContact CB-CG 4.44Å; K240-E256 HydrophobicContact CD-CG 4.21Å; K240-E256 WeakPolarHBondContact CD-OE2 3.46Å; K240-E256 WeakPolarHBondContact CE-OE2 3.37Å; K240-E256 HydrophobicContact CG-CG 4.36Å; K240-E256 IonicContact NZ-OE2 3.82Å; K240-E256 PolarHBondContact NZ-OE2 3.47Å; L241-E256 HydrophobicContact CB-CG 4.36Å; L244-E256 HydrophobicContact CD1-CB 4.04Å; L244-E256 HydrophobicContact CD1-CG 4.47Å; E252-E256 WeakPolarHBondContact O-CB 3.48Å; E252-E256 PolarHBondContact O-N 2.92Å; A253-E256 PolarHBondContact O-N 3.07Å; Q254-E256 VanDerWaalsContact C-N 3.31Å; Q254-E256 PolarHBondContact O-N 3.24Å; E256-K259 PolarHBondContact O-N 2.77Å; E256-I260 WeakPolarHBondContact O-CG1 3.13Å; E256-I260 PolarHBondContact O-N 2.57Å
257	A	88.7	Confident	82.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-49.1	173.3	0	0	0	0	0	111.2	L241 A253 Q254 K259 I260 E261 L299 F302	L241-A257 HydrophobicContact CD1-CB 4.32Å; L241-A257 HydrophobicContact CD2-CB 4.2Å; A253-A257 VanDerWaalsContact O-CB 3.32Å; A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.33Å; Q254-A257 PolarHBondContact O-N 2.86Å; A257-K259 VanDerWaalsContact C-N 3.27Å; A257-K259 PolarHBondContact O-N 3.24Å; A257-I260 WeakPolarHBondContact O-CA 3.03Å; A257-I260 WeakPolarHBondContact O-CB 3.48Å; A257-I260 PolarHBondContact O-N 3.09Å; A257-E261 PolarHBondContact O-N 3.46Å; A257-L299 HydrophobicContact CB-CD2 3.83Å; A257-F302 HydrophobicContact CB-CD1 3.56Å; A257-F302 HydrophobicContact CB-CD2 4.3Å; A257-F302 HydrophobicContact CB-CE1 3.8Å; A257-F302 HydrophobicContact CB-CG 3.84Å; A257-F302 HydrophobicContact CB-CZ 4.3Å
258	G	88.6	Confident	81.5	Confident	35 Å²	35	66.9 Å²	66.9	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-35.7	177.2	0	0	0	0	0	113.4	Q254 E261 E262	Q254-G258 PolarHBondContact O-N 3.44Å; G258-E261 PolarHBondContact O-N 3.16Å; G258-E262 PolarHBondContact O-N 2.82Å
259	K	89.3	Confident	80.8	Confident	75 Å²	75	67.6 Å²	67.6	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-37.3	173.8	-71.1	168.9	-167.3	160.2	0	112.4	E255 E256 A257 I263	E255-K259 WeakPolarHBondContact O-CG 3.1Å; E255-K259 PolarHBondContact O-N 3.19Å; E256-K259 PolarHBondContact O-N 2.77Å; A257-K259 VanDerWaalsContact C-N 3.27Å; A257-K259 PolarHBondContact O-N 3.24Å; K259-I263 WeakPolarHBondContact O-CD1 2.99Å; K259-I263 VanDerWaalsContact O-CG1 3.28Å; K259-I263 WeakPolarHBondContact O-CG1 3.4Å; K259-I263 PolarHBondContact O-N 3.21Å
260	I	86.9	Confident	79.3	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-45.1	175.4	-67.8	167.4	0	0	0	109.8	R237 L241 E256 A257 E262 I263 L264 P295 L299	R237-I260 HydrophobicContact CB-CD1 3.96Å; R237-I260 HydrophobicContact CB-CG1 3.64Å; L241-I260 HydrophobicContact CB-CD1 4.11Å; L241-I260 HydrophobicContact CD2-CD1 3.82Å; E256-I260 WeakPolarHBondContact O-CG1 3.13Å; E256-I260 PolarHBondContact O-N 2.57Å; A257-I260 WeakPolarHBondContact O-CA 3.03Å; A257-I260 WeakPolarHBondContact O-CB 3.48Å; A257-I260 PolarHBondContact O-N 3.09Å; I260-E262 PolarHBondContact O-N 2.68Å; I260-I263 PolarHBondContact O-N 3.16Å; I260-L264 HydrophobicContact CG2-CD1 3.79Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CG 3.06Å; I260-L264 PolarHBondContact O-N 3.23Å; I260-P295 HydrophobicContact CG2-CB 4.11Å; I260-L299 HydrophobicContact CB-CD2 4.28Å; I260-L299 HydrophobicContact CG2-CD1 4.02Å; I260-L299 HydrophobicContact CG2-CD2 4.23Å; I260-L299 HydrophobicContact CG2-CG 4.09Å
261	E	85.5	Confident	78.1	Confident	67 Å²	67	62.6 Å²	62.6	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-45.4	176.3	-72.4	175.9	-176.7	0	0	112.4	A257 G258 I263 L264 N265 L299 H303	A257-E261 PolarHBondContact O-N 3.46Å; G258-E261 PolarHBondContact O-N 3.16Å; E261-I263 VanDerWaalsContact C-N 3.29Å; E261-I263 PolarHBondContact O-N 2.89Å; E261-L264 PolarHBondContact O-N 2.94Å; E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.23Å; E261-N265 VanDerWaalsContact O-CG 3.26Å; E261-N265 PolarHBondContact O-N 3.27Å; E261-N265 PolarHBondContact O-ND2 2.58Å; E261-L299 HydrophobicContact CG-CD1 3.79Å; E261-L299 HydrophobicContact CG-CD2 3.91Å; E261-H303 IonicContact OE1-CE1 3.47Å; E261-H303 PolarHBondContact OE1-CE1 2.85Å; E261-H303 IonicContact OE1-NE2 2.9Å; E261-H303 PolarHBondContact OE1-NE2 2.83Å
262	E	84.5	Confident	76.7	Confident	93 Å²	93	55 Å²	55	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-41.4	177.5	-169.5	-173.2	173.1	0	0	111.8	G258 I260 R266	G258-E262 PolarHBondContact O-N 2.82Å; I260-E262 PolarHBondContact O-N 2.68Å; E262-R266 WeakPolarHBondContact O-CG 3.05Å; E262-R266 PolarHBondContact O-N 2.79Å; E262-R266 IonicContact OE1-CZ 3.11Å; E262-R266 IonicContact OE1-NH1 2.75Å; E262-R266 PolarHBondContact OE1-NH1 3.19Å; E262-R266 IonicContact OE1-NH2 2.6Å; E262-R266 PolarHBondContact OE1-NH2 3.14Å
263	I	82.3	Confident	74.7	Confident	43 Å²	43	55 Å²	55	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-44.4	176.9	-65.8	164.7	0	0	0	110.8	T234 K259 I260 E261 R266 S267	T234-I263 HydrophobicContact CG2-CB 4.25Å; T234-I263 HydrophobicContact CG2-CG2 3.56Å; K259-I263 WeakPolarHBondContact O-CD1 2.99Å; K259-I263 VanDerWaalsContact O-CG1 3.28Å; K259-I263 WeakPolarHBondContact O-CG1 3.4Å; K259-I263 PolarHBondContact O-N 3.21Å; I260-I263 PolarHBondContact O-N 3.16Å; E261-I263 VanDerWaalsContact C-N 3.29Å; E261-I263 PolarHBondContact O-N 2.89Å; I263-R266 PolarHBondContact O-N 3.44Å; I263-S267 WeakPolarHBondContact O-CB 3.38Å; I263-S267 PolarHBondContact O-N 2.02Å
264	L	78.7	Confident	72.7	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-40.9	179.7	-70.9	174.1	0	0	0	111.6	T234 I260 E261 R266 S267 L269 G270 P295 W296 L299	T234-L264 HydrophobicContact CG2-CD2 4.29Å; I260-L264 HydrophobicContact CG2-CD1 3.79Å; I260-L264 HydrophobicContact CG2-CG 4.25Å; I260-L264 WeakPolarHBondContact O-CG 3.06Å; I260-L264 PolarHBondContact O-N 3.23Å; E261-L264 PolarHBondContact O-N 2.94Å; L264-R266 VanDerWaalsContact C-N 3.32Å; L264-R266 PolarHBondContact O-N 3.35Å; L264-S267 WeakPolarHBondContact O-CB 3.45Å; L264-S267 PolarHBondContact O-N 2.97Å; L264-S267 VanDerWaalsContact O-N 3.1Å; L264-S267 PolarHBondContact O-OG 2.84Å; L264-L269 HydrophobicContact CD2-CD1 4.38Å; L264-G270 PolarHBondContact O-N 2.86Å; L264-P295 HydrophobicContact CD1-CB 3.97Å; L264-P295 HydrophobicContact CD2-CB 4.12Å; L264-P295 HydrophobicContact CD2-CG 4.49Å; L264-P295 HydrophobicContact CG-CB 4.48Å; L264-W296 HydrophobicContact CB-CZ2 4.43Å; L264-W296 HydrophobicContact CD1-CD2 4.25Å; L264-W296 HydrophobicContact CD1-CZ2 4.18Å; L264-L299 HydrophobicContact CD1-CD1 3.69Å
265	N	73.5	Confident	70.8	Confident	94 Å²	94	61.9 Å²	61.9	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-34	177.3	-76	-24	0	0	0	112.8	E261	E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.23Å; E261-N265 VanDerWaalsContact O-CG 3.26Å; E261-N265 PolarHBondContact O-N 3.27Å; E261-N265 PolarHBondContact O-ND2 2.58Å
266	R	71.7	Confident	68.7	Low	194 Å²	194	63.4 Å²	63.4	73%	0.732	32%	0.317	S	S	*	.	H	α-helix	trans	-78	-21.3	173.8	-72	179.1	178.8	160.4	8.8	113.5	E262 I263 L264	E262-R266 WeakPolarHBondContact O-CG 3.05Å; E262-R266 PolarHBondContact O-N 2.79Å; E262-R266 IonicContact OE1-CZ 3.11Å; E262-R266 IonicContact OE1-NH1 2.75Å; E262-R266 PolarHBondContact OE1-NH1 3.19Å; E262-R266 IonicContact OE1-NH2 2.6Å; E262-R266 PolarHBondContact OE1-NH2 3.14Å; I263-R266 PolarHBondContact O-N 3.44Å; L264-R266 VanDerWaalsContact C-N 3.32Å; L264-R266 PolarHBondContact O-N 3.35Å
267	S	66.7	Low	66.5	Low	40 Å²	40	71 Å²	71	28%	0.28	35%	0.352	S	S	.	.	S	Bend	trans	-78.6	162.2	179.4	79.9	0	0	0	0	111.4	I263 L264 L269 G270	I263-S267 WeakPolarHBondContact O-CB 3.38Å; I263-S267 PolarHBondContact O-N 2.02Å; L264-S267 WeakPolarHBondContact O-CB 3.45Å; L264-S267 PolarHBondContact O-N 2.97Å; L264-S267 VanDerWaalsContact O-N 3.1Å; L264-S267 PolarHBondContact O-OG 2.84Å; S267-L269 PolarHBondContact O-N 3.5Å; S267-L269 WeakPolarHBondContact OG-CB 3.35Å; S267-L269 PolarHBondContact OG-N 3.35Å; S267-G270 PolarHBondContact O-N 3.36Å
268	S	57	Low	64.3	Low	85 Å²	85	74.6 Å²	74.6	59%	0.594	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.2	172.8	54	0	0	0	0	113.4	G270 S271 F283	S268-G270 VanDerWaalsContact C-N 3.31Å; S268-G270 PolarHBondContact O-N 3.04Å; S268-S271 PolarHBondContact O-OG 3.48Å; S268-F283 WeakPolarHBondContact O-CZ 3.41Å
269	L	56.5	Low	62.5	Low	28 Å²	28	73.7 Å²	73.7	15%	0.147	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.1	175.8	-65	154.1	0	0	0	113.3	L264 S267 S271 C272 L322	L264-L269 HydrophobicContact CD2-CD1 4.38Å; S267-L269 PolarHBondContact O-N 3.5Å; S267-L269 WeakPolarHBondContact OG-CB 3.35Å; S267-L269 PolarHBondContact OG-N 3.35Å; L269-S271 PolarHBondContact O-N 3.12Å; L269-S271 VanDerWaalsContact O-N 3.16Å; L269-C272 WeakPolarHBondContact O-CB 3.13Å; L269-C272 PolarHBondContact O-N 3.45Å; L269-L322 HydrophobicContact CD2-CD1 4.24Å; L269-L322 HydrophobicContact CD2-CD2 4.02Å
270	G	51.8	Low	60.5	Low	9 Å²	9	73.5 Å²	73.5	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-25.7	175.7	0	0	0	0	0	113	L264 S267 S268 C272 Y273 L274	L264-G270 PolarHBondContact O-N 2.86Å; S267-G270 PolarHBondContact O-N 3.36Å; S268-G270 VanDerWaalsContact C-N 3.31Å; S268-G270 PolarHBondContact O-N 3.04Å; G270-C272 VanDerWaalsContact C-N 3.27Å; G270-C272 PolarHBondContact O-N 3.18Å; G270-Y273 VanDerWaalsContact O-CB 3.32Å; G270-Y273 WeakPolarHBondContact O-CB 3.28Å; G270-Y273 PolarHBondContact O-N 2.95Å; G270-Y273 VanDerWaalsContact O-N 3.14Å; G270-L274 PolarHBondContact O-N 3.1Å
271	S	50.3	Low	58.2	Low	43 Å²	43	79.3 Å²	79.3	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-27.7	173.8	62.2	0	0	0	0	113.8	S268 L269 Y273 L274 Q275 F283	S268-S271 PolarHBondContact O-OG 3.48Å; L269-S271 PolarHBondContact O-N 3.12Å; L269-S271 VanDerWaalsContact O-N 3.16Å; S271-Y273 VanDerWaalsContact C-N 3.33Å; S271-L274 PolarHBondContact O-N 3.12Å; S271-Q275 PolarHBondContact O-N 3.27Å; S271-Q275 VanDerWaalsContact O-N 3.16Å; S271-F283 WeakPolarHBondContact OG-CE2 3.4Å; S271-F283 WeakPolarHBondContact OG-CZ 3.26Å
272	C	54.5	Low	56.1	Low	7 Å²	7	79.7 Å²	79.7	5%	0.047	42%	0.42	C	S	.	.	H	α-helix	trans	-66.9	-35	173.3	-95	0	0	0	0	111.8	L269 G270 Q275 R276 C279	L269-C272 WeakPolarHBondContact O-CB 3.13Å; L269-C272 PolarHBondContact O-N 3.45Å; G270-C272 VanDerWaalsContact C-N 3.27Å; G270-C272 PolarHBondContact O-N 3.18Å; C272-Q275 PolarHBondContact O-N 3.42Å; C272-R276 PolarHBondContact O-N 3.01Å; C272-C279 VanDerWaalsContact CA-SG 3.55Å; C272-C279 WeakPolarHBondContact CB-SG 3.23Å; C272-C279 WeakPolarHBondContact SG-CB 3.3Å; C272-C279 CovalentContact SG-SG 2.05Å; C272-C279 PolarHBondContact SG-SG 2.82Å
273	Y	44.3	Very low	54	Low	94 Å²	94	78.5 Å²	78.5	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-42.2	174.4	-168.3	-99.6	0	0	0	111.3	G270 S271 Q275 W296 I318	G270-Y273 VanDerWaalsContact O-CB 3.32Å; G270-Y273 WeakPolarHBondContact O-CB 3.28Å; G270-Y273 PolarHBondContact O-N 2.95Å; G270-Y273 VanDerWaalsContact O-N 3.14Å; S271-Y273 VanDerWaalsContact C-N 3.33Å; Y273-Q275 PolarHBondContact O-N 3.37Å; Y273-W296 AromaticContact CD2-CH2 3.66Å; Y273-W296 HydrophobicContact CD2-CH2 3.66Å; Y273-W296 AromaticContact CD2-CZ3 3.87Å; Y273-W296 HydrophobicContact CD2-CZ3 3.87Å; Y273-W296 HydrophobicContact CE2-CZ3 4.45Å; Y273-W296 HydrophobicContact CG-CH2 4.27Å; Y273-I318 HydrophobicContact CD2-CD1 4.21Å
274	L	45.5	Very low	52	Low	148 Å²	148	85.3 Å²	85.3	78%	0.775	44%	0.442	S	S	*	.	H	α-helix	trans	-70.5	-28.2	-179.6	-75.3	166.9	0	0	0	113.9	G270 S271	G270-L274 PolarHBondContact O-N 3.1Å; S271-L274 PolarHBondContact O-N 3.12Å
275	Q	48.5	Very low	50.3	Low	111 Å²	111	88.4 Å²	88.4	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-96.6	-4.1	-173.8	-73.1	-166.8	-8.4	0	0	115.6	S271 C272 Y273 H277 N278	S271-Q275 PolarHBondContact O-N 3.27Å; S271-Q275 VanDerWaalsContact O-N 3.16Å; C272-Q275 PolarHBondContact O-N 3.42Å; Y273-Q275 PolarHBondContact O-N 3.37Å; Q275-H277 PolarHBondContact O-N 3.25Å; Q275-N278 PolarHBondContact O-N 3.5Å; Q275-N278 PolarHBondContact OE1-O 2.89Å
276	R	46.7	Very low	48.9	Very low	159 Å²	159	89.6 Å²	89.6	60%	0.6	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-23	172.2	-79.2	-176.7	165.9	166.9	-5.5	119.4	C272 E314	C272-R276 PolarHBondContact O-N 3.01Å; R276-E314 IonicContact CZ-OE1 3.73Å; R276-E314 IonicContact NE-OE1 3.01Å; R276-E314 IonicContact NE-OE2 3.97Å; R276-E314 IonicContact NH2-OE1 2.61Å; R276-E314 PolarHBondContact NH2-OE1 3.06Å; R276-E314 IonicContact NH2-OE2 2.81Å
277	H	44.9	Very low	47.5	Very low	160 Å²	160	85.3 Å²	85.3	74%	0.741	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.1	-16	-175.6	-69.2	-65.2	0	0	0	113.9	Q275	Q275-H277 PolarHBondContact O-N 3.25Å
278	N	43.3	Very low	46.6	Very low	77 Å²	77	85.5 Å²	85.5	41%	0.412	47%	0.465	S	S	.	.			trans	-120.9	41.9	-166.4	-101.2	-7.2	0	0	0	115.1	Q275 S280 N281	Q275-N278 PolarHBondContact O-N 3.5Å; Q275-N278 PolarHBondContact OE1-O 2.89Å; N278-S280 PolarHBondContact O-N 3.44Å; N278-N281 PolarHBondContact O-N 2.83Å
279	C	50.9	Low	46.5	Very low	16 Å²	16	84.8 Å²	84.8	11%	0.108	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-3.7	168.4	-67.7	0	0	0	0	113.6	C272 Y285	C272-C279 VanDerWaalsContact CA-SG 3.55Å; C272-C279 WeakPolarHBondContact CB-SG 3.23Å; C272-C279 WeakPolarHBondContact SG-CB 3.3Å; C272-C279 CovalentContact SG-SG 2.05Å; C272-C279 PolarHBondContact SG-SG 2.82Å; C279-Y285 PolarHBondContact O-OH 2.66Å
280	S	46.3	Very low	46.5	Very low	72 Å²	72	85.5 Å²	85.5	50%	0.503	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.3	-179.8	30.3	0	0	0	0	115.2	N278 Y285	N278-S280 PolarHBondContact O-N 3.44Å; S280-Y285 WeakPolarHBondContact CA-OH 3.43Å; S280-Y285 PolarHBondContact O-OH 2.92Å
281	N	39.4	Very low	47	Very low	122 Å²	122	88 Å²	88	65%	0.652	48%	0.479	S	S	*	.	S	Bend	trans	-107.3	89.1	-173.5	-79.6	-15.2	0	0	0	112.1	N278	N278-N281 PolarHBondContact O-N 2.83Å
282	G	40.8	Very low	47.8	Very low	75 Å²	75	86.4 Å²	86.4	77%	0.773	47%	0.469	S	S	*	.	S	Bend	trans	129.4	-6.1	158.5	0	0	0	0	0	117
283	F	40.7	Very low	48.6	Very low	68 Å²	68	87.1 Å²	87.1	30%	0.298	47%	0.471	S	S	.	.			trans	-79.4	126.2	172.9	-92.9	-88.5	0	0	0	110.8	S268 S271 Y285	S268-F283 WeakPolarHBondContact O-CZ 3.41Å; S271-F283 WeakPolarHBondContact OG-CE2 3.4Å; S271-F283 WeakPolarHBondContact OG-CZ 3.26Å; F283-Y285 HydrophobicContact CB-CD1 4.04Å; F283-Y285 HydrophobicContact CB-CE1 3.68Å; F283-Y285 HydrophobicContact CB-CE2 4.39Å; F283-Y285 WeakPolarHBondContact O-CD2 3.41Å; F283-Y285 WeakPolarHBondContact O-CE2 3.38Å; F283-Y285 PolarHBondContact O-N 3.4Å
284	K	40.9	Very low	49.9	Very low	185 Å²	185	85 Å²	85	80%	0.804	46%	0.462	S	S	*	.			trans	-67	87.8	160.3	-83.6	179.4	175.5	176.5	0	107.6	S286	K284-S286 PolarHBondContact O-N 2.77Å
285	Y	43.1	Very low	51.5	Low	69 Å²	69	78.3 Å²	78.3	27%	0.271	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-61.1	-4.9	-171.7	-64.5	-73.7	0	0	0	116.1	C279 S280 F283 S287 I325	C279-Y285 PolarHBondContact O-OH 2.66Å; S280-Y285 WeakPolarHBondContact CA-OH 3.43Å; S280-Y285 PolarHBondContact O-OH 2.92Å; F283-Y285 HydrophobicContact CB-CD1 4.04Å; F283-Y285 HydrophobicContact CB-CE1 3.68Å; F283-Y285 HydrophobicContact CB-CE2 4.39Å; F283-Y285 WeakPolarHBondContact O-CD2 3.41Å; F283-Y285 WeakPolarHBondContact O-CE2 3.38Å; F283-Y285 PolarHBondContact O-N 3.4Å; Y285-S287 PolarHBondContact O-N 3.34Å; Y285-S287 VanDerWaalsContact O-N 3.15Å; Y285-I325 HydrophobicContact CD1-CD1 4.48Å; Y285-I325 HydrophobicContact CD1-CG2 3.62Å; Y285-I325 HydrophobicContact CE1-CD1 3.94Å; Y285-I325 HydrophobicContact CE1-CG2 4.14Å; Y285-I325 HydrophobicContact CG-CG2 4.26Å
286	S	42.2	Very low	53.1	Low	119 Å²	119	73.3 Å²	73.3	83%	0.832	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.8	-171.6	56	0	0	0	0	114.9	K284	K284-S286 PolarHBondContact O-N 2.77Å
287	S	43.6	Very low	54.6	Low	104 Å²	104	65.9 Å²	65.9	73%	0.727	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-114.8	-2.2	-172.9	62	0	0	0	0	115.9	Y285	Y285-S287 PolarHBondContact O-N 3.34Å; Y285-S287 VanDerWaalsContact O-N 3.15Å
288	Q	47	Very low	56.3	Low	44 Å²	44	58.3 Å²	58.3	21%	0.206	34%	0.34	C	S	.	.			trans	-72.8	136.9	-179	-70.5	-173.2	-3	0	0	111.6
289	S	55.5	Low	58.2	Low	71 Å²	71	54.6 Å²	54.6	50%	0.497	32%	0.321	S	S	.	.			trans	-66.3	140.9	177.4	87.7	0	0	0	0	110.1	V291 A292	S289-V291 PolarHBondContact O-N 3.14Å; S289-V291 PolarHBondContact OG-N 2.92Å; S289-A292 WeakPolarHBondContact O-CB 3.31Å; S289-A292 PolarHBondContact O-N 3.46Å; S289-A292 PolarHBondContact OG-N 2.81Å
290	V	56.2	Low	59.6	Low	42 Å²	42	53.9 Å²	53.9	26%	0.255	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-17.7	177.2	-178.2	0	0	0	0	112.7	W293 K331 L333	V290-W293 PolarHBondContact O-NE1 3.24Å; V290-K331 HydrophobicContact CG2-CB 4.07Å; V290-K331 HydrophobicContact CG2-CD 3.44Å; V290-K331 VanDerWaalsContact CG2-CD 3.44Å; V290-K331 HydrophobicContact CG2-CG 4.38Å; V290-L333 HydrophobicContact CG1-CD1 3.79Å
291	V	62.1	Low	60.9	Low	62 Å²	62	50.7 Å²	50.7	38%	0.376	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	11.6	-172.7	-158.2	0	0	0	0	112.1	L235 S289 W293 R294	L235-V291 HydrophobicContact CD1-CG1 4.49Å; S289-V291 PolarHBondContact O-N 3.14Å; S289-V291 PolarHBondContact OG-N 2.92Å; V291-W293 PolarHBondContact O-N 3.25Å; V291-R294 HydrophobicContact CG1-CB 3.71Å; V291-R294 HydrophobicContact CG1-CG 4.3Å; V291-R294 WeakPolarHBondContact O-CB 3.41Å; V291-R294 PolarHBondContact O-N 3.14Å; V291-R294 VanDerWaalsContact O-N 3.13Å
292	A	66.7	Low	62.9	Low	10 Å²	10	45.3 Å²	45.3	8%	0.083	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.3	-175.9	0	0	0	0	0	114.3	S289 P295	S289-A292 WeakPolarHBondContact O-CB 3.31Å; S289-A292 PolarHBondContact O-N 3.46Å; S289-A292 PolarHBondContact OG-N 2.81Å; A292-P295 WeakPolarHBondContact O-CD 3.21Å
293	W	72.1	Confident	64.8	Low	22 Å²	22	42.4 Å²	42.4	8%	0.083	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.1	176.8	61.8	-92.8	0	0	0	113.6	V290 V291 W296 F297 A319 L322 A323 I337 L341	V290-W293 PolarHBondContact O-NE1 3.24Å; V291-W293 PolarHBondContact O-N 3.25Å; W293-W296 PolarHBondContact O-N 2.83Å; W293-F297 HydrophobicContact CE3-CB 3.97Å; W293-F297 HydrophobicContact CZ3-CB 3.97Å; W293-F297 HydrophobicContact CZ3-CD1 4.41Å; W293-F297 HydrophobicContact CZ3-CG 4.09Å; W293-F297 PolarHBondContact O-N 3.16Å; W293-F297 VanDerWaalsContact O-N 3.09Å; W293-A319 HydrophobicContact CB-CB 4.49Å; W293-A319 WeakPolarHBondContact CB-O 3.29Å; W293-L322 HydrophobicContact CB-CB 3.84Å; W293-A323 HydrophobicContact CB-CB 4.17Å; W293-A323 HydrophobicContact CG-CB 4.05Å; W293-I337 HydrophobicContact CD2-CG2 4.45Å; W293-I337 HydrophobicContact CE3-CG2 4.47Å; W293-I337 HydrophobicContact CH2-CD1 4.45Å; W293-I337 HydrophobicContact CH2-CG1 4.41Å; W293-I337 HydrophobicContact CH2-CG2 3.57Å; W293-I337 HydrophobicContact CZ2-CD1 3.95Å; W293-I337 HydrophobicContact CZ2-CG1 4.36Å; W293-I337 HydrophobicContact CZ2-CG2 3.55Å; W293-I337 HydrophobicContact CZ3-CG2 4.05Å; W293-L341 HydrophobicContact CD2-CD1 4.39Å; W293-L341 HydrophobicContact CE3-CD1 4.04Å; W293-L341 HydrophobicContact CE3-CD2 4.24Å; W293-L341 HydrophobicContact CZ3-CD2 4.46Å
294	R	72.3	Confident	66	Low	50 Å²	50	39.1 Å²	39.1	19%	0.189	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-40.3	-168.6	-171.6	176.7	179.1	179.7	-1.2	114.3	V291 F297 Y298	V291-R294 HydrophobicContact CG1-CB 3.71Å; V291-R294 HydrophobicContact CG1-CG 4.3Å; V291-R294 WeakPolarHBondContact O-CB 3.41Å; V291-R294 PolarHBondContact O-N 3.14Å; V291-R294 VanDerWaalsContact O-N 3.13Å; R294-F297 PolarHBondContact O-N 3.3Å; R294-Y298 HydrophobicContact CG-CD2 4.05Å; R294-Y298 HydrophobicContact CG-CE2 3.49Å; R294-Y298 VanDerWaalsContact CG-CE2 3.49Å; R294-Y298 PolarHBondContact NE-OH 3.06Å; R294-Y298 VanDerWaalsContact NE-OH 3.09Å; R294-Y298 PolarHBondContact NH2-OH 3.07Å; R294-Y298 VanDerWaalsContact O-CD2 3.23Å; R294-Y298 WeakPolarHBondContact O-CD2 3.32Å; R294-Y298 PolarHBondContact O-N 3.08Å
295	P	78.6	Confident	67.1	Low	6 Å²	6	32.4 Å²	32.4	4%	0.039	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-43.7	175.1	-24.9	36.6	0	0	0	112.6	T234 I260 L264 A292 F297 Y298 L299	T234-P295 HydrophobicContact CG2-CG 4.45Å; I260-P295 HydrophobicContact CG2-CB 4.11Å; L264-P295 HydrophobicContact CD1-CB 3.97Å; L264-P295 HydrophobicContact CD2-CB 4.12Å; L264-P295 HydrophobicContact CD2-CG 4.49Å; L264-P295 HydrophobicContact CG-CB 4.48Å; A292-P295 WeakPolarHBondContact O-CD 3.21Å; P295-F297 VanDerWaalsContact C-N 3.33Å; P295-F297 PolarHBondContact O-N 3.16Å; P295-Y298 PolarHBondContact O-N 2.9Å; P295-L299 PolarHBondContact O-N 3.07Å
296	W	81.8	Confident	68.5	Low	6 Å²	6	32 Å²	32	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-38.3	177.1	-68.3	101.6	0	0	0	112.3	L264 Y273 W293 Y298 L299 G300 D315 I318 A319	L264-W296 HydrophobicContact CB-CZ2 4.43Å; L264-W296 HydrophobicContact CD1-CD2 4.25Å; L264-W296 HydrophobicContact CD1-CZ2 4.18Å; Y273-W296 AromaticContact CD2-CH2 3.66Å; Y273-W296 HydrophobicContact CD2-CH2 3.66Å; Y273-W296 AromaticContact CD2-CZ3 3.87Å; Y273-W296 HydrophobicContact CD2-CZ3 3.87Å; Y273-W296 HydrophobicContact CE2-CZ3 4.45Å; Y273-W296 HydrophobicContact CG-CH2 4.27Å; W293-W296 PolarHBondContact O-N 2.83Å; W296-Y298 PolarHBondContact O-N 3.24Å; W296-L299 HydrophobicContact CE3-CD1 4.41Å; W296-L299 PolarHBondContact O-N 3.31Å; W296-G300 PolarHBondContact O-N 2.87Å; W296-D315 WeakPolarHBondContact CZ3-OD1 3.16Å; W296-I318 HydrophobicContact CB-CG2 4.4Å; W296-I318 HydrophobicContact CD2-CB 4.09Å; W296-I318 HydrophobicContact CD2-CD1 4.32Å; W296-I318 HydrophobicContact CD2-CG2 3.54Å; W296-I318 HydrophobicContact CE3-CB 4.19Å; W296-I318 HydrophobicContact CE3-CD1 3.77Å; W296-I318 HydrophobicContact CE3-CG2 4.08Å; W296-I318 HydrophobicContact CG-CB 4.29Å; W296-I318 HydrophobicContact CG-CG2 3.68Å; W296-I318 HydrophobicContact CH2-CD1 3.9Å; W296-I318 HydrophobicContact CZ2-CD1 4.41Å; W296-I318 HydrophobicContact CZ2-CG2 4.23Å; W296-I318 HydrophobicContact CZ3-CD1 3.54Å; W296-A319 HydrophobicContact CB-CB 3.9Å
297	F	78.7	Confident	69.7	Low	3 Å²	3	28.3 Å²	28.3	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-43.5	174	175	-102	0	0	0	112.8	W108 W293 R294 P295 G300 L301 F316 A319 L340 L341 M344	W108-F297 HydrophobicContact CZ2-CE1 4.24Å; W108-F297 AromaticContact NE1-CE1 3.72Å; W108-F297 AromaticContact NE1-CZ 3.79Å; W293-F297 HydrophobicContact CE3-CB 3.97Å; W293-F297 HydrophobicContact CZ3-CB 3.97Å; W293-F297 HydrophobicContact CZ3-CD1 4.41Å; W293-F297 HydrophobicContact CZ3-CG 4.09Å; W293-F297 PolarHBondContact O-N 3.16Å; W293-F297 VanDerWaalsContact O-N 3.09Å; R294-F297 PolarHBondContact O-N 3.3Å; P295-F297 VanDerWaalsContact C-N 3.33Å; P295-F297 PolarHBondContact O-N 3.16Å; F297-G300 PolarHBondContact O-N 2.78Å; F297-L301 HydrophobicContact CD1-CD1 4.01Å; F297-L301 HydrophobicContact CE1-CD1 3.41Å; F297-L301 VanDerWaalsContact CE1-CD1 3.41Å; F297-L301 HydrophobicContact CE1-CG 4.23Å; F297-L301 HydrophobicContact CZ-CD1 3.73Å; F297-L301 HydrophobicContact CZ-CG 4.2Å; F297-L301 PolarHBondContact O-N 3.43Å; F297-F316 HydrophobicContact CD2-CD1 4.16Å; F297-F316 AromaticContact CD2-CE1 3.98Å; F297-F316 HydrophobicContact CD2-CE1 3.98Å; F297-F316 HydrophobicContact CE2-CE1 4.2Å; F297-A319 HydrophobicContact CB-CB 4.26Å; F297-L340 HydrophobicContact CE2-CD2 3.91Å; F297-L340 HydrophobicContact CE2-CG 4.26Å; F297-L340 HydrophobicContact CZ-CD2 3.74Å; F297-L340 HydrophobicContact CZ-CG 4.43Å; F297-L341 HydrophobicContact CB-CD2 4.37Å; F297-L341 HydrophobicContact CD2-CD2 3.57Å; F297-L341 HydrophobicContact CE2-CD2 4.3Å; F297-L341 HydrophobicContact CG-CD2 4.34Å; F297-M344 HydrophobicContact CE2-CG 4.06Å
298	Y	80.6	Confident	71.2	Confident	1 Å²	1	26.7 Å²	26.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-71.3	-33.9	178.3	-67.2	-54.6	0	0	0	113.1	W108 G238 R294 P295 W296 L301 F302	W108-Y298 HydrophobicContact CH2-CE1 4.06Å; W108-Y298 VanDerWaalsContact CH2-OH 3.29Å; W108-Y298 WeakPolarHBondContact CH2-OH 3.29Å; W108-Y298 HydrophobicContact CZ2-CE1 4.18Å; G238-Y298 WeakPolarHBondContact O-CD2 3.22Å; R294-Y298 HydrophobicContact CG-CD2 4.05Å; R294-Y298 HydrophobicContact CG-CE2 3.49Å; R294-Y298 VanDerWaalsContact CG-CE2 3.49Å; R294-Y298 PolarHBondContact NE-OH 3.06Å; R294-Y298 VanDerWaalsContact NE-OH 3.09Å; R294-Y298 PolarHBondContact NH2-OH 3.07Å; R294-Y298 VanDerWaalsContact O-CD2 3.23Å; R294-Y298 WeakPolarHBondContact O-CD2 3.32Å; R294-Y298 PolarHBondContact O-N 3.08Å; P295-Y298 PolarHBondContact O-N 2.9Å; W296-Y298 PolarHBondContact O-N 3.24Å; Y298-L301 HydrophobicContact CD1-CD1 4.13Å; Y298-L301 PolarHBondContact O-N 2.74Å; Y298-F302 PolarHBondContact O-N 3.28Å
299	L	83.8	Confident	72.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-45.5	170.2	-72.2	176.5	0	0	0	111.1	L241 A257 I260 E261 L264 P295 W296 L301 F302 H303	L241-L299 HydrophobicContact CD2-CD2 4.44Å; A257-L299 HydrophobicContact CB-CD2 3.83Å; I260-L299 HydrophobicContact CB-CD2 4.28Å; I260-L299 HydrophobicContact CG2-CD1 4.02Å; I260-L299 HydrophobicContact CG2-CD2 4.23Å; I260-L299 HydrophobicContact CG2-CG 4.09Å; E261-L299 HydrophobicContact CG-CD1 3.79Å; E261-L299 HydrophobicContact CG-CD2 3.91Å; L264-L299 HydrophobicContact CD1-CD1 3.69Å; P295-L299 PolarHBondContact O-N 3.07Å; W296-L299 HydrophobicContact CE3-CD1 4.41Å; W296-L299 PolarHBondContact O-N 3.31Å; L299-L301 VanDerWaalsContact C-N 3.3Å; L299-L301 PolarHBondContact O-N 3.33Å; L299-F302 CarbonylContact O-C 3.54Å; L299-F302 WeakPolarHBondContact O-CA 3.18Å; L299-F302 WeakPolarHBondContact O-CB 3.4Å; L299-F302 PolarHBondContact O-N 3.25Å; L299-H303 PolarHBondContact O-N 2.63Å; L299-H303 PolarHBondContact O-ND1 3.19Å
300	G	78.9	Confident	73.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-41	175.4	0	0	0	0	0	112.5	W296 F297 L304 D315 F316	W296-G300 PolarHBondContact O-N 2.87Å; F297-G300 PolarHBondContact O-N 2.78Å; G300-L304 WeakPolarHBondContact O-CB 3.27Å; G300-L304 PolarHBondContact O-N 3.2Å; G300-D315 PolarHBondContact N-OD2 3.39Å; G300-F316 VanDerWaalsContact O-CZ 3.32Å; G300-F316 WeakPolarHBondContact O-CZ 3.37Å
301	L	74.4	Confident	74.3	Confident	6 Å²	6	26.3 Å²	26.3	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-44	173	-76.8	173.1	0	0	0	112.1	L105 L245 F297 Y298 L299 L304 T305 F316 M344	L105-L301 HydrophobicContact CD2-CD1 4.4Å; L245-L301 HydrophobicContact CD1-CB 4.09Å; F297-L301 HydrophobicContact CD1-CD1 4.01Å; F297-L301 HydrophobicContact CE1-CD1 3.41Å; F297-L301 VanDerWaalsContact CE1-CD1 3.41Å; F297-L301 HydrophobicContact CE1-CG 4.23Å; F297-L301 HydrophobicContact CZ-CD1 3.73Å; F297-L301 HydrophobicContact CZ-CG 4.2Å; F297-L301 PolarHBondContact O-N 3.43Å; Y298-L301 HydrophobicContact CD1-CD1 4.13Å; Y298-L301 PolarHBondContact O-N 2.74Å; L299-L301 VanDerWaalsContact C-N 3.3Å; L299-L301 PolarHBondContact O-N 3.33Å; L301-L304 PolarHBondContact O-N 3.06Å; L301-T305 WeakPolarHBondContact O-CG2 3.11Å; L301-T305 PolarHBondContact O-N 3.29Å; L301-T305 PolarHBondContact O-OG1 3.32Å; L301-F316 HydrophobicContact CD2-CZ 4.35Å; L301-F316 HydrophobicContact CG-CE1 4.36Å; L301-F316 HydrophobicContact CG-CZ 4.37Å; L301-M344 HydrophobicContact CD2-CE 3.52Å
302	F	80.8	Confident	74.9	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-52.5	176.7	167.5	-100.2	0	0	0	111.6	L241 L245 A253 Q254 A257 Y298 L299 L304 T305 N306	L241-F302 HydrophobicContact CD1-CB 4.31Å; L241-F302 HydrophobicContact CD1-CD2 4.32Å; L241-F302 HydrophobicContact CD2-CB 4.21Å; L245-F302 HydrophobicContact CD1-CB 4.22Å; L245-F302 HydrophobicContact CD2-CB 4.5Å; L245-F302 HydrophobicContact CD2-CD2 4.1Å; A253-F302 HydrophobicContact CB-CD2 4.08Å; A253-F302 HydrophobicContact CB-CE2 4.23Å; Q254-F302 HydrophobicContact CB-CE2 3.91Å; Q254-F302 HydrophobicContact CB-CZ 3.7Å; Q254-F302 HydrophobicContact CG-CZ 3.89Å; A257-F302 HydrophobicContact CB-CD1 3.56Å; A257-F302 HydrophobicContact CB-CD2 4.3Å; A257-F302 HydrophobicContact CB-CE1 3.8Å; A257-F302 HydrophobicContact CB-CG 3.84Å; A257-F302 HydrophobicContact CB-CZ 4.3Å; Y298-F302 PolarHBondContact O-N 3.28Å; L299-F302 CarbonylContact O-C 3.54Å; L299-F302 WeakPolarHBondContact O-CA 3.18Å; L299-F302 WeakPolarHBondContact O-CB 3.4Å; L299-F302 PolarHBondContact O-N 3.25Å; F302-L304 VanDerWaalsContact C-N 3.28Å; F302-L304 PolarHBondContact O-N 3.38Å; F302-T305 WeakPolarHBondContact CA-OG1 3.39Å; F302-T305 CarbonylContact O-C 3.21Å; F302-T305 WeakPolarHBondContact O-CA 3.33Å; F302-T305 PolarHBondContact O-N 3.18Å; F302-T305 PolarHBondContact O-OG1 2.88Å; F302-N306 HydrophobicContact CZ-CB 4.32Å; F302-N306 WeakPolarHBondContact O-CB 3.49Å; F302-N306 PolarHBondContact O-N 3.03Å
303	H	80.5	Confident	75	Confident	14 Å²	14	23.4 Å²	23.4	7%	0.065	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-36.7	179	-69.3	133	0	0	0	112.3	E261 L299 N306 G307 D308 V311 A312 D315	E261-H303 IonicContact OE1-CE1 3.47Å; E261-H303 PolarHBondContact OE1-CE1 2.85Å; E261-H303 IonicContact OE1-NE2 2.9Å; E261-H303 PolarHBondContact OE1-NE2 2.83Å; L299-H303 PolarHBondContact O-N 2.63Å; L299-H303 PolarHBondContact O-ND1 3.19Å; H303-N306 PolarHBondContact O-N 2.94Å; H303-G307 PolarHBondContact O-N 3.32Å; H303-D308 HydrophobicContact CB-CB 4.26Å; H303-D308 PolarHBondContact O-N 2.93Å; H303-V311 HydrophobicContact CB-CB 4.36Å; H303-V311 WeakPolarHBondContact ND1-CG1 3.33Å; H303-A312 HydrophobicContact CB-CB 3.81Å; H303-D315 IonicContact CE1-OD2 3.97Å; H303-D315 PolarHBondContact CE1-OD2 2.99Å; H303-D315 IonicContact CG-OD2 3.7Å; H303-D315 IonicContact ND1-OD2 2.75Å; H303-D315 PolarHBondContact ND1-OD2 3.22Å
304	L	66.1	Low	75.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-44	172.6	-171.7	72.6	0	0	0	111.1	L97 I101 G300 L301 F302 G307 L309 A312 F316 M344 L347 Y351	L97-L304 HydrophobicContact CD1-CD1 4.35Å; L97-L304 HydrophobicContact CD1-CG 4.5Å; I101-L304 HydrophobicContact CD1-CD2 4Å; I101-L304 HydrophobicContact CD1-CG 4.05Å; I101-L304 HydrophobicContact CG1-CD2 3.97Å; G300-L304 WeakPolarHBondContact O-CB 3.27Å; G300-L304 PolarHBondContact O-N 3.2Å; L301-L304 PolarHBondContact O-N 3.06Å; F302-L304 VanDerWaalsContact C-N 3.28Å; F302-L304 PolarHBondContact O-N 3.38Å; L304-G307 PolarHBondContact O-N 2.93Å; L304-L309 HydrophobicContact CD1-CD2 3.99Å; L304-A312 HydrophobicContact CB-CB 4.05Å; L304-A312 HydrophobicContact CD1-CB 4.47Å; L304-F316 HydrophobicContact CB-CE2 4.34Å; L304-F316 HydrophobicContact CD2-CE2 4.36Å; L304-M344 HydrophobicContact CD2-CE 3.57Å; L304-L347 HydrophobicContact CD2-CD2 4.35Å; L304-Y351 HydrophobicContact CD1-CD2 4.29Å
305	T	64.5	Low	75.7	Confident	43 Å²	43	23 Å²	23	26%	0.264	14%	0.14	S	C	.	.	H	α-helix	trans	-69.2	-30.3	176.3	55.8	0	0	0	0	113.6	I101 L245 L301 F302 G307	I101-T305 HydrophobicContact CD1-CG2 3.81Å; I101-T305 HydrophobicContact CG2-CG2 4.18Å; L245-T305 HydrophobicContact CD2-CG2 4.34Å; L245-T305 WeakPolarHBondContact CD2-OG1 3.47Å; L301-T305 WeakPolarHBondContact O-CG2 3.11Å; L301-T305 PolarHBondContact O-N 3.29Å; L301-T305 PolarHBondContact O-OG1 3.32Å; F302-T305 WeakPolarHBondContact CA-OG1 3.39Å; F302-T305 CarbonylContact O-C 3.21Å; F302-T305 WeakPolarHBondContact O-CA 3.33Å; F302-T305 PolarHBondContact O-N 3.18Å; F302-T305 PolarHBondContact O-OG1 2.88Å; T305-G307 VanDerWaalsContact C-N 3.31Å
306	N	72.8	Confident	75.7	Confident	61 Å²	61	22.7 Å²	22.7	33%	0.326	14%	0.138	S	C	.	.	H	α-helix	trans	-79.6	-13.7	178.9	-160.1	47.6	0	0	0	112.9	F302 H303 D308	F302-N306 HydrophobicContact CZ-CB 4.32Å; F302-N306 WeakPolarHBondContact O-CB 3.49Å; F302-N306 PolarHBondContact O-N 3.03Å; H303-N306 PolarHBondContact O-N 2.94Å; N306-D308 PolarHBondContact ND2-OD2 3.32Å
307	G	67.3	Low	75.4	Confident	42 Å²	42	23.8 Å²	23.8	43%	0.433	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	5.3	-178.2	0	0	0	0	0	114.7	H303 L304 T305 L309	H303-G307 PolarHBondContact O-N 3.32Å; L304-G307 PolarHBondContact O-N 2.93Å; T305-G307 VanDerWaalsContact C-N 3.31Å; G307-L309 VanDerWaalsContact C-N 3.25Å; G307-L309 PolarHBondContact O-N 2.99Å
308	D	75.8	Confident	75.3	Confident	69 Å²	69	24.4 Å²	24.4	37%	0.369	15%	0.148	S	C	.	.			trans	-83.3	67.3	177.1	-64.9	-45.1	0	0	0	110.7	H303 N306 S310 V311 A312	H303-D308 HydrophobicContact CB-CB 4.26Å; H303-D308 PolarHBondContact O-N 2.93Å; N306-D308 PolarHBondContact ND2-OD2 3.32Å; D308-S310 VanDerWaalsContact C-N 3.31Å; D308-S310 PolarHBondContact O-N 3.22Å; D308-V311 HydrophobicContact CB-CB 4.31Å; D308-V311 HydrophobicContact CB-CG2 4.28Å; D308-V311 PolarHBondContact O-N 2.99Å; D308-A312 PolarHBondContact O-N 2.9Å
309	L	68.1	Low	75.1	Confident	33 Å²	33	24.3 Å²	24.3	17%	0.173	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-34.1	-167.5	-60.2	166.8	0	0	0	114	L304 G307 A313 Y351 T352	L304-L309 HydrophobicContact CD1-CD2 3.99Å; G307-L309 VanDerWaalsContact C-N 3.25Å; G307-L309 PolarHBondContact O-N 2.99Å; L309-A313 WeakPolarHBondContact O-CB 3.08Å; L309-A313 PolarHBondContact O-N 3.5Å; L309-A313 VanDerWaalsContact O-N 3.1Å; L309-Y351 HydrophobicContact CD2-CD2 4.35Å; L309-Y351 HydrophobicContact CD2-CG 4.31Å; L309-T352 HydrophobicContact CB-CG2 4.01Å; L309-T352 WeakPolarHBondContact O-CG2 3.35Å
310	S	73.9	Confident	74.7	Confident	74 Å²	74	25.7 Å²	25.7	52%	0.517	15%	0.154	S	C	.	.	H	α-helix	trans	-67.9	-45	177.2	51.3	0	0	0	0	111.9	D308 A313 E314	D308-S310 VanDerWaalsContact C-N 3.31Å; D308-S310 PolarHBondContact O-N 3.22Å; S310-A313 PolarHBondContact O-N 3.15Å; S310-E314 PolarHBondContact O-N 3.01Å; S310-E314 VanDerWaalsContact O-N 3.08Å
311	V	79.9	Confident	74.3	Confident	42 Å²	42	27.7 Å²	27.7	26%	0.255	17%	0.165	S	C	.	.	H	α-helix	trans	-67.2	-42.8	179	-171.5	0	0	0	0	109.8	H303 D308 A313 E314 D315	H303-V311 HydrophobicContact CB-CB 4.36Å; H303-V311 WeakPolarHBondContact ND1-CG1 3.33Å; D308-V311 HydrophobicContact CB-CB 4.31Å; D308-V311 HydrophobicContact CB-CG2 4.28Å; D308-V311 PolarHBondContact O-N 2.99Å; V311-A313 VanDerWaalsContact C-N 3.27Å; V311-A313 PolarHBondContact O-N 3.05Å; V311-E314 PolarHBondContact O-N 3.42Å; V311-E314 VanDerWaalsContact O-N 3.11Å; V311-D315 PolarHBondContact O-N 3.36Å
312	A	74.6	Confident	74.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.1	-42	174.1	0	0	0	0	0	112.2	H303 L304 D308 D315 F316	H303-A312 HydrophobicContact CB-CB 3.81Å; L304-A312 HydrophobicContact CB-CB 4.05Å; L304-A312 HydrophobicContact CD1-CB 4.47Å; D308-A312 PolarHBondContact O-N 2.9Å; A312-D315 PolarHBondContact O-N 2.92Å; A312-F316 HydrophobicContact CB-CE2 4.23Å; A312-F316 WeakPolarHBondContact O-CD2 3.05Å; A312-F316 WeakPolarHBondContact O-CG 3.3Å; A312-F316 PolarHBondContact O-N 3.36Å
313	A	69.9	Low	73.6	Confident	11 Å²	11	27.2 Å²	27.2	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-38.7	177.5	0	0	0	0	0	113	L309 S310 V311 T317 S348 T352	L309-A313 WeakPolarHBondContact O-CB 3.08Å; L309-A313 PolarHBondContact O-N 3.5Å; L309-A313 VanDerWaalsContact O-N 3.1Å; S310-A313 PolarHBondContact O-N 3.15Å; V311-A313 VanDerWaalsContact C-N 3.27Å; V311-A313 PolarHBondContact O-N 3.05Å; A313-T317 WeakPolarHBondContact O-CB 3.37Å; A313-T317 PolarHBondContact O-N 3.3Å; A313-T317 VanDerWaalsContact O-N 3.1Å; A313-T317 PolarHBondContact O-OG1 3.48Å; A313-S348 VanDerWaalsContact CA-OG 3.24Å; A313-S348 WeakPolarHBondContact CA-OG 3.44Å; A313-S348 WeakPolarHBondContact CB-OG 3.21Å; A313-T352 HydrophobicContact CB-CG2 4.39Å
314	E	78.4	Confident	72.9	Confident	61 Å²	61	28.6 Å²	28.6	29%	0.285	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-47.4	173.4	-70.6	-175.9	-168.1	0	0	110.5	R276 S310 V311 F316 T317 I318	R276-E314 IonicContact CZ-OE1 3.73Å; R276-E314 IonicContact NE-OE1 3.01Å; R276-E314 IonicContact NE-OE2 3.97Å; R276-E314 IonicContact NH2-OE1 2.61Å; R276-E314 PolarHBondContact NH2-OE1 3.06Å; R276-E314 IonicContact NH2-OE2 2.81Å; S310-E314 PolarHBondContact O-N 3.01Å; S310-E314 VanDerWaalsContact O-N 3.08Å; V311-E314 PolarHBondContact O-N 3.42Å; V311-E314 VanDerWaalsContact O-N 3.11Å; E314-F316 PolarHBondContact O-N 2.67Å; E314-T317 WeakPolarHBondContact O-CB 3.44Å; E314-T317 PolarHBondContact O-N 2.92Å; E314-T317 VanDerWaalsContact O-N 3.13Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.03Å
315	D	80.8	Confident	72.8	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-46.4	180	-72.4	-20.5	0	0	0	113.3	W296 G300 H303 V311 A312 T317 I318 A319	W296-D315 WeakPolarHBondContact CZ3-OD1 3.16Å; G300-D315 PolarHBondContact N-OD2 3.39Å; H303-D315 IonicContact CE1-OD2 3.97Å; H303-D315 PolarHBondContact CE1-OD2 2.99Å; H303-D315 IonicContact CG-OD2 3.7Å; H303-D315 IonicContact ND1-OD2 2.75Å; H303-D315 PolarHBondContact ND1-OD2 3.22Å; V311-D315 PolarHBondContact O-N 3.36Å; A312-D315 PolarHBondContact O-N 2.92Å; D315-T317 PolarHBondContact O-N 3.02Å; D315-I318 PolarHBondContact O-N 2.72Å; D315-A319 WeakPolarHBondContact O-CB 3.47Å; D315-A319 PolarHBondContact O-N 2.99Å
316	F	78.6	Confident	72.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-32	176	-68.3	-51	0	0	0	111.9	F297 G300 L301 L304 A312 E314 F320 M344 K345	F297-F316 HydrophobicContact CD2-CD1 4.16Å; F297-F316 AromaticContact CD2-CE1 3.98Å; F297-F316 HydrophobicContact CD2-CE1 3.98Å; F297-F316 HydrophobicContact CE2-CE1 4.2Å; G300-F316 VanDerWaalsContact O-CZ 3.32Å; G300-F316 WeakPolarHBondContact O-CZ 3.37Å; L301-F316 HydrophobicContact CD2-CZ 4.35Å; L301-F316 HydrophobicContact CG-CE1 4.36Å; L301-F316 HydrophobicContact CG-CZ 4.37Å; L304-F316 HydrophobicContact CB-CE2 4.34Å; L304-F316 HydrophobicContact CD2-CE2 4.36Å; A312-F316 HydrophobicContact CB-CE2 4.23Å; A312-F316 WeakPolarHBondContact O-CD2 3.05Å; A312-F316 WeakPolarHBondContact O-CG 3.3Å; A312-F316 PolarHBondContact O-N 3.36Å; E314-F316 PolarHBondContact O-N 2.67Å; F316-F320 VanDerWaalsContact O-CB 3.31Å; F316-F320 WeakPolarHBondContact O-CB 3.48Å; F316-F320 PolarHBondContact O-N 3.35Å; F316-M344 HydrophobicContact CD1-CB 3.63Å; F316-M344 HydrophobicContact CD1-CG 4.4Å; F316-M344 HydrophobicContact CD2-CB 3.99Å; F316-M344 HydrophobicContact CE1-CB 3.73Å; F316-M344 HydrophobicContact CE1-CE 3.84Å; F316-M344 HydrophobicContact CE1-CG 4.1Å; F316-M344 HydrophobicContact CE2-CB 4.08Å; F316-M344 HydrophobicContact CE2-CE 3.79Å; F316-M344 HydrophobicContact CG-CB 3.78Å; F316-M344 HydrophobicContact CZ-CB 3.96Å; F316-M344 HydrophobicContact CZ-CE 3.24Å; F316-M344 HydrophobicContact CZ-CG 4.35Å; F316-K345 HydrophobicContact CB-CB 4.34Å
317	T	74.6	Confident	71.5	Confident	28 Å²	28	28.3 Å²	28.3	17%	0.172	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-43.9	174.8	-61.4	0	0	0	0	111.5	A313 E314 D315 F320 N321 K345	A313-T317 WeakPolarHBondContact O-CB 3.37Å; A313-T317 PolarHBondContact O-N 3.3Å; A313-T317 VanDerWaalsContact O-N 3.1Å; A313-T317 PolarHBondContact O-OG1 3.48Å; E314-T317 WeakPolarHBondContact O-CB 3.44Å; E314-T317 PolarHBondContact O-N 2.92Å; E314-T317 VanDerWaalsContact O-N 3.13Å; D315-T317 PolarHBondContact O-N 3.02Å; T317-F320 PolarHBondContact O-N 3.44Å; T317-N321 WeakPolarHBondContact O-CB 3.46Å; T317-N321 PolarHBondContact O-N 3.42Å; T317-N321 PolarHBondContact O-ND2 3.36Å; T317-K345 WeakPolarHBondContact OG1-CE 3.49Å
318	I	77.7	Confident	70.8	Confident	16 Å²	16	31.1 Å²	31.1	8%	0.082	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-44.8	175.8	-64.3	165.3	0	0	0	110.1	Y273 W296 E314 D315 F320 N321 L322	Y273-I318 HydrophobicContact CD2-CD1 4.21Å; W296-I318 HydrophobicContact CB-CG2 4.4Å; W296-I318 HydrophobicContact CD2-CB 4.09Å; W296-I318 HydrophobicContact CD2-CD1 4.32Å; W296-I318 HydrophobicContact CD2-CG2 3.54Å; W296-I318 HydrophobicContact CE3-CB 4.19Å; W296-I318 HydrophobicContact CE3-CD1 3.77Å; W296-I318 HydrophobicContact CE3-CG2 4.08Å; W296-I318 HydrophobicContact CG-CB 4.29Å; W296-I318 HydrophobicContact CG-CG2 3.68Å; W296-I318 HydrophobicContact CH2-CD1 3.9Å; W296-I318 HydrophobicContact CZ2-CD1 4.41Å; W296-I318 HydrophobicContact CZ2-CG2 4.23Å; W296-I318 HydrophobicContact CZ3-CD1 3.54Å; E314-I318 WeakPolarHBondContact O-CG1 3.33Å; E314-I318 PolarHBondContact O-N 3.03Å; D315-I318 PolarHBondContact O-N 2.72Å; I318-F320 PolarHBondContact O-N 3.14Å; I318-N321 PolarHBondContact O-N 3.39Å; I318-L322 HydrophobicContact CG2-CD1 3.89Å; I318-L322 HydrophobicContact CG2-CG 4.39Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 WeakPolarHBondContact O-CG 3.25Å; I318-L322 PolarHBondContact O-N 2.88Å
319	A	76.2	Confident	69.5	Low	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-47.5	176.3	0	0	0	0	0	111.6	W293 W296 F297 D315 L322 A323 L341	W293-A319 HydrophobicContact CB-CB 4.49Å; W293-A319 WeakPolarHBondContact CB-O 3.29Å; W296-A319 HydrophobicContact CB-CB 3.9Å; F297-A319 HydrophobicContact CB-CB 4.26Å; D315-A319 WeakPolarHBondContact O-CB 3.47Å; D315-A319 PolarHBondContact O-N 2.99Å; A319-L322 PolarHBondContact O-N 3.19Å; A319-A323 WeakPolarHBondContact O-CB 3.42Å; A319-A323 PolarHBondContact O-N 2.92Å; A319-L341 HydrophobicContact CB-CD2 3.68Å
320	F	74.2	Confident	68.2	Low	29 Å²	29	39.4 Å²	39.4	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-47.4	176.6	179.4	-99.5	0	0	0	112.5	F316 T317 I318 L322 A323 S324 M338 L341 M342	F316-F320 VanDerWaalsContact O-CB 3.31Å; F316-F320 WeakPolarHBondContact O-CB 3.48Å; F316-F320 PolarHBondContact O-N 3.35Å; T317-F320 PolarHBondContact O-N 3.44Å; I318-F320 PolarHBondContact O-N 3.14Å; F320-L322 PolarHBondContact O-N 2.83Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 3.17Å; F320-S324 WeakPolarHBondContact O-CB 3.4Å; F320-S324 PolarHBondContact O-N 2.9Å; F320-M338 HydrophobicContact CD2-CE 4.03Å; F320-M338 HydrophobicContact CD2-SD 3.64Å; F320-M338 HydrophobicContact CE1-CE 4.23Å; F320-M338 HydrophobicContact CE2-CE 3.27Å; F320-M338 HydrophobicContact CE2-CG 3.96Å; F320-M338 HydrophobicContact CE2-SD 3.31Å; F320-M338 WeakPolarHBondContact CE2-SD 3.26Å; F320-M338 HydrophobicContact CZ-CE 3.41Å; F320-M338 VanDerWaalsContact CZ-CE 3.41Å; F320-M338 HydrophobicContact CZ-SD 4.1Å; F320-L341 HydrophobicContact CB-CB 4.18Å; F320-L341 HydrophobicContact CD2-CB 3.93Å; F320-M342 HydrophobicContact CD2-CG 3.78Å; F320-M342 HydrophobicContact CE2-CG 3.2Å; F320-M342 HydrophobicContact CE2-SD 3.86Å; F320-M342 HydrophobicContact CZ-CG 3.95Å; F320-M342 HydrophobicContact CZ-SD 4.23Å
321	N	71.9	Confident	66.7	Low	42 Å²	42	41.7 Å²	41.7	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-179.5	-69.1	-15.9	0	0	0	112.3	T317 I318 S324 I325	T317-N321 WeakPolarHBondContact O-CB 3.46Å; T317-N321 PolarHBondContact O-N 3.42Å; T317-N321 PolarHBondContact O-ND2 3.36Å; I318-N321 PolarHBondContact O-N 3.39Å; N321-S324 PolarHBondContact O-N 2.76Å; N321-S324 PolarHBondContact O-OG 3.23Å; N321-I325 WeakPolarHBondContact O-CD1 3.36Å; N321-I325 VanDerWaalsContact O-CG1 3.22Å; N321-I325 WeakPolarHBondContact O-CG1 3.1Å; N321-I325 PolarHBondContact O-N 2.72Å; N321-I325 VanDerWaalsContact O-N 3.17Å
322	L	71.9	Confident	65	Low	3 Å²	3	47 Å²	47	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-40.1	175.5	-71.6	172.6	0	0	0	111.3	L269 W293 I318 A319 F320 I325 T326	L269-L322 HydrophobicContact CD2-CD1 4.24Å; L269-L322 HydrophobicContact CD2-CD2 4.02Å; W293-L322 HydrophobicContact CB-CB 3.84Å; I318-L322 HydrophobicContact CG2-CD1 3.89Å; I318-L322 HydrophobicContact CG2-CG 4.39Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 WeakPolarHBondContact O-CG 3.25Å; I318-L322 PolarHBondContact O-N 2.88Å; A319-L322 PolarHBondContact O-N 3.19Å; F320-L322 PolarHBondContact O-N 2.83Å; L322-I325 PolarHBondContact O-N 2.77Å; L322-T326 WeakPolarHBondContact O-CG2 3.25Å; L322-T326 PolarHBondContact O-N 2.75Å
323	A	68	Low	63.7	Low	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-43.9	175	0	0	0	0	0	111.9	W293 A319 F320 I325 T326 L327 L333 M338 L341	W293-A323 HydrophobicContact CB-CB 4.17Å; W293-A323 HydrophobicContact CG-CB 4.05Å; A319-A323 WeakPolarHBondContact O-CB 3.42Å; A319-A323 PolarHBondContact O-N 2.92Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 3.17Å; A323-I325 VanDerWaalsContact C-N 3.31Å; A323-I325 PolarHBondContact O-N 3.36Å; A323-T326 PolarHBondContact O-N 3.18Å; A323-T326 VanDerWaalsContact O-N 3.08Å; A323-T326 PolarHBondContact O-OG1 3.14Å; A323-L327 PolarHBondContact O-N 3.29Å; A323-L333 HydrophobicContact CB-CD2 3.62Å; A323-M338 HydrophobicContact CB-SD 4.33Å; A323-L341 HydrophobicContact CB-CD1 3.39Å
324	S	66.8	Low	62.9	Low	43 Å²	43	48.4 Å²	48.4	30%	0.301	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-37.3	179.3	78	0	0	0	0	112.6	F320 N321 T326 L327 S328	F320-S324 WeakPolarHBondContact O-CB 3.4Å; F320-S324 PolarHBondContact O-N 2.9Å; N321-S324 PolarHBondContact O-N 2.76Å; N321-S324 PolarHBondContact O-OG 3.23Å; S324-T326 VanDerWaalsContact C-N 3.32Å; S324-T326 PolarHBondContact O-N 3.46Å; S324-L327 WeakPolarHBondContact O-CB 3.27Å; S324-L327 PolarHBondContact O-N 3.26Å; S324-S328 PolarHBondContact O-N 2.83Å
325	I	62.6	Low	61.7	Low	32 Å²	32	50.9 Å²	50.9	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-40.3	175.1	-68.3	162.3	0	0	0	110.5	Y285 N321 L322 A323 L327 S328	Y285-I325 HydrophobicContact CD1-CD1 4.48Å; Y285-I325 HydrophobicContact CD1-CG2 3.62Å; Y285-I325 HydrophobicContact CE1-CD1 3.94Å; Y285-I325 HydrophobicContact CE1-CG2 4.14Å; Y285-I325 HydrophobicContact CG-CG2 4.26Å; N321-I325 WeakPolarHBondContact O-CD1 3.36Å; N321-I325 VanDerWaalsContact O-CG1 3.22Å; N321-I325 WeakPolarHBondContact O-CG1 3.1Å; N321-I325 PolarHBondContact O-N 2.72Å; N321-I325 VanDerWaalsContact O-N 3.17Å; L322-I325 PolarHBondContact O-N 2.77Å; A323-I325 VanDerWaalsContact C-N 3.31Å; A323-I325 PolarHBondContact O-N 3.36Å; I325-L327 VanDerWaalsContact C-N 3.31Å; I325-L327 PolarHBondContact O-N 3.18Å; I325-S328 WeakPolarHBondContact O-CB 3.21Å; I325-S328 PolarHBondContact O-N 3.45Å; I325-S328 PolarHBondContact O-OG 2.56Å
326	T	58.2	Low	60.3	Low	11 Å²	11	50.8 Å²	50.8	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-35.4	179.3	62.3	0	0	0	0	112.9	L322 A323 S324 S328 T329	L322-T326 WeakPolarHBondContact O-CG2 3.25Å; L322-T326 PolarHBondContact O-N 2.75Å; A323-T326 PolarHBondContact O-N 3.18Å; A323-T326 VanDerWaalsContact O-N 3.08Å; A323-T326 PolarHBondContact O-OG1 3.14Å; S324-T326 VanDerWaalsContact C-N 3.32Å; S324-T326 PolarHBondContact O-N 3.46Å; T326-S328 VanDerWaalsContact C-N 3.3Å; T326-S328 PolarHBondContact O-N 3.13Å; T326-T329 WeakPolarHBondContact O-CB 3.35Å; T326-T329 PolarHBondContact O-N 3.47Å; T326-T329 VanDerWaalsContact O-N 3.08Å; T326-T329 PolarHBondContact O-OG1 2.86Å
327	L	52.9	Low	59.2	Low	56 Å²	56	51.8 Å²	51.8	29%	0.293	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-33.3	174.2	-83.6	157.6	0	0	0	113.6	A323 S324 I325 T329 L333 M338	A323-L327 PolarHBondContact O-N 3.29Å; S324-L327 WeakPolarHBondContact O-CB 3.27Å; S324-L327 PolarHBondContact O-N 3.26Å; I325-L327 VanDerWaalsContact C-N 3.31Å; I325-L327 PolarHBondContact O-N 3.18Å; L327-T329 PolarHBondContact O-N 3.37Å; L327-L333 HydrophobicContact CD2-CB 4.26Å; L327-L333 WeakPolarHBondContact CD2-O 3.33Å; L327-L333 HydrophobicContact CG-CB 3.99Å; L327-M338 HydrophobicContact CD1-CB 4.34Å; L327-M338 HydrophobicContact CD1-CE 3.99Å; L327-M338 HydrophobicContact CD1-CG 4.1Å; L327-M338 HydrophobicContact CD1-SD 4.04Å
328	S	51.1	Low	58.6	Low	101 Å²	101	51.1 Å²	51.1	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-67.5	-17.5	176.5	76	0	0	0	0	113.1	S324 I325 T326	S324-S328 PolarHBondContact O-N 2.83Å; I325-S328 WeakPolarHBondContact O-CB 3.21Å; I325-S328 PolarHBondContact O-N 3.45Å; I325-S328 PolarHBondContact O-OG 2.56Å; T326-S328 VanDerWaalsContact C-N 3.3Å; T326-S328 PolarHBondContact O-N 3.13Å
329	T	48.4	Very low	57.6	Low	53 Å²	53	50.4 Å²	50.4	33%	0.325	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	159	176.2	76	0	0	0	0	110.1	T326 L327 K331	T326-T329 WeakPolarHBondContact O-CB 3.35Å; T326-T329 PolarHBondContact O-N 3.47Å; T326-T329 VanDerWaalsContact O-N 3.08Å; T326-T329 PolarHBondContact O-OG1 2.86Å; L327-T329 PolarHBondContact O-N 3.37Å; T329-K331 PolarHBondContact O-N 3.09Å
330	K	40.7	Very low	56.8	Low	223 Å²	223	50.7 Å²	50.7	97%	0.97	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	8.4	175.9	-68.6	-175.1	177.4	-179.2	0	114.9
331	K	43.4	Very low	56.4	Low	122 Å²	122	49.3 Å²	49.3	53%	0.53	25%	0.253	S	S	.	.	S	Bend	trans	-109.5	85.5	178.2	-58.9	-178.4	-175.1	175.7	0	107.4	V290 T329 L333	V290-K331 HydrophobicContact CG2-CB 4.07Å; V290-K331 HydrophobicContact CG2-CD 3.44Å; V290-K331 VanDerWaalsContact CG2-CD 3.44Å; V290-K331 HydrophobicContact CG2-CG 4.38Å; T329-K331 PolarHBondContact O-N 3.09Å; K331-L333 PolarHBondContact O-N 2.9Å; K331-L333 VanDerWaalsContact O-N 3.17Å
332	Q	43.2	Very low	56	Low	153 Å²	153	47.7 Å²	47.7	72%	0.715	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-59.8	117.8	178.3	-78.2	169.3	-41.2	0	0	109.8
333	L	48.4	Very low	55.6	Low	15 Å²	15	48.8 Å²	48.8	8%	0.079	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70.9	150.1	158.8	-152.1	80.2	0	0	0	107.4	V290 A323 L327 K331 I337	V290-L333 HydrophobicContact CG1-CD1 3.79Å; A323-L333 HydrophobicContact CB-CD2 3.62Å; L327-L333 HydrophobicContact CD2-CB 4.26Å; L327-L333 WeakPolarHBondContact CD2-O 3.33Å; L327-L333 HydrophobicContact CG-CB 3.99Å; K331-L333 PolarHBondContact O-N 2.9Å; K331-L333 VanDerWaalsContact O-N 3.17Å; L333-I337 HydrophobicContact CD1-CD1 4.36Å; L333-I337 HydrophobicContact CD2-CB 4Å; L333-I337 HydrophobicContact CD2-CD1 4.47Å; L333-I337 HydrophobicContact CD2-CG2 3.56Å; L333-I337 HydrophobicContact CG-CB 4.33Å; L333-I337 HydrophobicContact CG-CD1 4.03Å; L333-I337 HydrophobicContact CG-CG2 4.28Å
334	S	52.4	Low	55.4	Low	25 Å²	25	48.9 Å²	48.9	18%	0.175	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67.5	141.4	178	64.2	0	0	0	0	110.9	S336 I337 M338	S334-S336 WeakPolarHBondContact CB-OG 3.27Å; S334-S336 PolarHBondContact O-N 3.18Å; S334-S336 PolarHBondContact OG-OG 3.38Å; S334-I337 PolarHBondContact O-N 2.88Å; S334-I337 VanDerWaalsContact O-N 3.08Å; S334-I337 WeakPolarHBondContact OG-CD1 3.42Å; S334-I337 VanDerWaalsContact OG-CG1 3.31Å; S334-I337 WeakPolarHBondContact OG-CG1 3.3Å; S334-I337 PolarHBondContact OG-N 2.99Å; S334-M338 PolarHBondContact O-N 3.44Å
335	E	53.3	Low	55.5	Low	114 Å²	114	47 Å²	47	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-52.8	-36.8	172.9	-76	-177.7	-176.5	0	0	111	I337 M338 G339 Y369	E335-I337 PolarHBondContact O-N 3.31Å; E335-M338 WeakPolarHBondContact O-CB 3.31Å; E335-M338 PolarHBondContact O-N 2.8Å; E335-G339 PolarHBondContact O-N 3.47Å; E335-Y369 HydrophobicContact CB-CD1 4.01Å; E335-Y369 HydrophobicContact CB-CE1 3.57Å; E335-Y369 HydrophobicContact CG-CE1 3.97Å; E335-Y369 WeakPolarHBondContact O-CD1 3.22Å; E335-Y369 WeakPolarHBondContact O-CE1 3.45Å
336	S	51.5	Low	55.7	Low	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-41.2	174.1	58.7	0	0	0	0	115.5	L111 E114 S334 G339 L340 F371	L111-S336 WeakPolarHBondContact O-CB 3.46Å; L111-S336 PolarHBondContact O-OG 3.41Å; E114-S336 WeakPolarHBondContact OE2-CB 3.43Å; S334-S336 WeakPolarHBondContact CB-OG 3.27Å; S334-S336 PolarHBondContact O-N 3.18Å; S334-S336 PolarHBondContact OG-OG 3.38Å; S336-G339 PolarHBondContact O-N 3.14Å; S336-L340 WeakPolarHBondContact O-CB 3.35Å; S336-L340 PolarHBondContact O-N 3.45Å; S336-F371 WeakPolarHBondContact O-CZ 3.49Å
337	I	56	Low	55.8	Low	21 Å²	21	45.2 Å²	45.2	11%	0.108	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-42.1	178.6	-70.2	162.8	0	0	0	110.1	W293 L333 S334 E335 G339 L340 L341	W293-I337 HydrophobicContact CD2-CG2 4.45Å; W293-I337 HydrophobicContact CE3-CG2 4.47Å; W293-I337 HydrophobicContact CH2-CD1 4.45Å; W293-I337 HydrophobicContact CH2-CG1 4.41Å; W293-I337 HydrophobicContact CH2-CG2 3.57Å; W293-I337 HydrophobicContact CZ2-CD1 3.95Å; W293-I337 HydrophobicContact CZ2-CG1 4.36Å; W293-I337 HydrophobicContact CZ2-CG2 3.55Å; W293-I337 HydrophobicContact CZ3-CG2 4.05Å; L333-I337 HydrophobicContact CD1-CD1 4.36Å; L333-I337 HydrophobicContact CD2-CB 4Å; L333-I337 HydrophobicContact CD2-CD1 4.47Å; L333-I337 HydrophobicContact CD2-CG2 3.56Å; L333-I337 HydrophobicContact CG-CB 4.33Å; L333-I337 HydrophobicContact CG-CD1 4.03Å; L333-I337 HydrophobicContact CG-CG2 4.28Å; S334-I337 PolarHBondContact O-N 2.88Å; S334-I337 VanDerWaalsContact O-N 3.08Å; S334-I337 WeakPolarHBondContact OG-CD1 3.42Å; S334-I337 VanDerWaalsContact OG-CG1 3.31Å; S334-I337 WeakPolarHBondContact OG-CG1 3.3Å; S334-I337 PolarHBondContact OG-N 2.99Å; E335-I337 PolarHBondContact O-N 3.31Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.44Å; I337-L340 PolarHBondContact O-N 3.24Å; I337-L341 HydrophobicContact CG2-CD1 3.97Å; I337-L341 HydrophobicContact CG2-CG 4.47Å; I337-L341 WeakPolarHBondContact O-CG 3.47Å; I337-L341 PolarHBondContact O-N 3.31Å
338	M	61.3	Low	56.4	Low	15 Å²	15	42.5 Å²	42.5	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-45.6	179.4	-165	60.6	155.7	0	0	110.3	F320 A323 L327 S334 E335 L340 L341 M342 Y369	F320-M338 HydrophobicContact CD2-CE 4.03Å; F320-M338 HydrophobicContact CD2-SD 3.64Å; F320-M338 HydrophobicContact CE1-CE 4.23Å; F320-M338 HydrophobicContact CE2-CE 3.27Å; F320-M338 HydrophobicContact CE2-CG 3.96Å; F320-M338 HydrophobicContact CE2-SD 3.31Å; F320-M338 WeakPolarHBondContact CE2-SD 3.26Å; F320-M338 HydrophobicContact CZ-CE 3.41Å; F320-M338 VanDerWaalsContact CZ-CE 3.41Å; F320-M338 HydrophobicContact CZ-SD 4.1Å; A323-M338 HydrophobicContact CB-SD 4.33Å; L327-M338 HydrophobicContact CD1-CB 4.34Å; L327-M338 HydrophobicContact CD1-CE 3.99Å; L327-M338 HydrophobicContact CD1-CG 4.1Å; L327-M338 HydrophobicContact CD1-SD 4.04Å; S334-M338 PolarHBondContact O-N 3.44Å; E335-M338 WeakPolarHBondContact O-CB 3.31Å; E335-M338 PolarHBondContact O-N 2.8Å; M338-L340 PolarHBondContact O-N 3.39Å; M338-L341 PolarHBondContact O-N 3.08Å; M338-M342 WeakPolarHBondContact O-CG 3.37Å; M338-M342 PolarHBondContact O-N 3.29Å; M338-Y369 HydrophobicContact CB-CE1 4.26Å; M338-Y369 HydrophobicContact CB-CE2 4.17Å; M338-Y369 HydrophobicContact CG-CE2 3.94Å; M338-Y369 VanDerWaalsContact CG-OH 3.25Å; M338-Y369 WeakPolarHBondContact CG-OH 3.48Å
339	G	58.2	Low	57.2	Low	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-38	176.4	0	0	0	0	0	114	E335 S336 I337 L341 M342 Y343 I372	E335-G339 PolarHBondContact O-N 3.47Å; S336-G339 PolarHBondContact O-N 3.14Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.44Å; G339-L341 VanDerWaalsContact C-N 3.35Å; G339-L341 PolarHBondContact O-N 2.8Å; G339-M342 PolarHBondContact O-N 2.78Å; G339-Y343 WeakPolarHBondContact O-CB 3.49Å; G339-Y343 PolarHBondContact O-N 2.77Å; G339-I372 VanDerWaalsContact C-CD1 3.46Å; G339-I372 WeakPolarHBondContact O-CD1 3.38Å; G339-I372 WeakPolarHBondContact O-CG1 3.43Å
340	L	58.1	Low	57.8	Low	6 Å²	6	37.4 Å²	37.4	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-41.4	172	179.1	75.1	0	0	0	112.5	V112 F297 S336 I337 M338 M342 Y343 M344	V112-L340 HydrophobicContact CG2-CD2 4.42Å; F297-L340 HydrophobicContact CE2-CD2 3.91Å; F297-L340 HydrophobicContact CE2-CG 4.26Å; F297-L340 HydrophobicContact CZ-CD2 3.74Å; F297-L340 HydrophobicContact CZ-CG 4.43Å; S336-L340 WeakPolarHBondContact O-CB 3.35Å; S336-L340 PolarHBondContact O-N 3.45Å; I337-L340 PolarHBondContact O-N 3.24Å; M338-L340 PolarHBondContact O-N 3.39Å; L340-M342 VanDerWaalsContact C-N 3.33Å; L340-Y343 WeakPolarHBondContact O-CB 3.41Å; L340-Y343 PolarHBondContact O-N 2.86Å; L340-M344 WeakPolarHBondContact O-CG 3.37Å; L340-M344 PolarHBondContact O-N 2.97Å
341	L	65.4	Low	58.8	Low	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-38.6	178.2	-71.3	170.1	0	0	0	111.3	W293 F297 A319 F320 A323 I337 M338 G339 M344 K345	W293-L341 HydrophobicContact CD2-CD1 4.39Å; W293-L341 HydrophobicContact CE3-CD1 4.04Å; W293-L341 HydrophobicContact CE3-CD2 4.24Å; W293-L341 HydrophobicContact CZ3-CD2 4.46Å; F297-L341 HydrophobicContact CB-CD2 4.37Å; F297-L341 HydrophobicContact CD2-CD2 3.57Å; F297-L341 HydrophobicContact CE2-CD2 4.3Å; F297-L341 HydrophobicContact CG-CD2 4.34Å; A319-L341 HydrophobicContact CB-CD2 3.68Å; F320-L341 HydrophobicContact CB-CB 4.18Å; F320-L341 HydrophobicContact CD2-CB 3.93Å; A323-L341 HydrophobicContact CB-CD1 3.39Å; I337-L341 HydrophobicContact CG2-CD1 3.97Å; I337-L341 HydrophobicContact CG2-CG 4.47Å; I337-L341 WeakPolarHBondContact O-CG 3.47Å; I337-L341 PolarHBondContact O-N 3.31Å; M338-L341 PolarHBondContact O-N 3.08Å; G339-L341 VanDerWaalsContact C-N 3.35Å; G339-L341 PolarHBondContact O-N 2.8Å; L341-M344 PolarHBondContact O-N 2.77Å; L341-K345 VanDerWaalsContact O-CB 3.25Å; L341-K345 WeakPolarHBondContact O-CB 3.47Å; L341-K345 PolarHBondContact O-N 2.88Å
342	M	64.9	Low	59.7	Low	9 Å²	9	23.8 Å²	23.8	4%	0.044	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-42.9	171.5	-68.3	-175.1	71.6	0	0	112	F320 M338 G339 L340 M344 K345 A346 Y361 G365 Y369 I372	F320-M342 HydrophobicContact CD2-CG 3.78Å; F320-M342 HydrophobicContact CE2-CG 3.2Å; F320-M342 HydrophobicContact CE2-SD 3.86Å; F320-M342 HydrophobicContact CZ-CG 3.95Å; F320-M342 HydrophobicContact CZ-SD 4.23Å; M338-M342 WeakPolarHBondContact O-CG 3.37Å; M338-M342 PolarHBondContact O-N 3.29Å; G339-M342 PolarHBondContact O-N 2.78Å; L340-M342 VanDerWaalsContact C-N 3.33Å; M342-M344 PolarHBondContact O-N 3.2Å; M342-K345 PolarHBondContact O-N 3.31Å; M342-A346 VanDerWaalsContact O-CB 3.32Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.45Å; M342-Y361 VanDerWaalsContact CE-O 3.27Å; M342-Y361 WeakPolarHBondContact CE-O 3.12Å; M342-G365 VanDerWaalsContact CE-N 3.25Å; M342-Y369 HydrophobicContact SD-CD2 3.79Å; M342-Y369 HydrophobicContact SD-CE2 3.59Å; M342-Y369 VanDerWaalsContact SD-CE2 3.59Å; M342-I372 HydrophobicContact CB-CD1 4.2Å
343	Y	61.7	Low	60.6	Low	26 Å²	26	21.8 Å²	21.8	10%	0.102	12%	0.119	C	C	.	.	H	α-helix	trans	-53.5	-54	174.3	178	-66.4	0	0	0	110.3	I104 G339 L340 K345 A346 L347 I372 T375	I104-Y343 HydrophobicContact CD1-CD1 4.45Å; I104-Y343 HydrophobicContact CD1-CE1 3.4Å; I104-Y343 VanDerWaalsContact CD1-CE1 3.4Å; I104-Y343 HydrophobicContact CG1-CE1 3.62Å; G339-Y343 WeakPolarHBondContact O-CB 3.49Å; G339-Y343 PolarHBondContact O-N 2.77Å; L340-Y343 WeakPolarHBondContact O-CB 3.41Å; L340-Y343 PolarHBondContact O-N 2.86Å; Y343-K345 PolarHBondContact O-N 3.42Å; Y343-A346 PolarHBondContact O-N 2.74Å; Y343-L347 HydrophobicContact CE1-CD2 4.14Å; Y343-L347 WeakPolarHBondContact O-CB 3.21Å; Y343-L347 PolarHBondContact O-N 2.83Å; Y343-I372 HydrophobicContact CD2-CG2 3.83Å; Y343-I372 HydrophobicContact CG-CG2 4.22Å; Y343-T375 HydrophobicContact CD1-CG2 3.93Å; Y343-T375 HydrophobicContact CD2-CG2 3.01Å; Y343-T375 HydrophobicContact CE1-CG2 3.98Å; Y343-T375 HydrophobicContact CE2-CG2 3.09Å; Y343-T375 HydrophobicContact CG-CG2 3.38Å
344	M	64.9	Low	61.4	Low	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-69.1	-36.8	-174.9	-66.7	-57.4	-68.7	0	0	112.1	I104 F297 L301 L304 F316 L340 L341 M342 L347 S348	I104-M344 HydrophobicContact CD1-SD 4.18Å; I104-M344 HydrophobicContact CG2-SD 3.85Å; F297-M344 HydrophobicContact CE2-CG 4.06Å; L301-M344 HydrophobicContact CD2-CE 3.52Å; L304-M344 HydrophobicContact CD2-CE 3.57Å; F316-M344 HydrophobicContact CD1-CB 3.63Å; F316-M344 HydrophobicContact CD1-CG 4.4Å; F316-M344 HydrophobicContact CD2-CB 3.99Å; F316-M344 HydrophobicContact CE1-CB 3.73Å; F316-M344 HydrophobicContact CE1-CE 3.84Å; F316-M344 HydrophobicContact CE1-CG 4.1Å; F316-M344 HydrophobicContact CE2-CB 4.08Å; F316-M344 HydrophobicContact CE2-CE 3.79Å; F316-M344 HydrophobicContact CG-CB 3.78Å; F316-M344 HydrophobicContact CZ-CB 3.96Å; F316-M344 HydrophobicContact CZ-CE 3.24Å; F316-M344 HydrophobicContact CZ-CG 4.35Å; L340-M344 WeakPolarHBondContact O-CG 3.37Å; L340-M344 PolarHBondContact O-N 2.97Å; L341-M344 PolarHBondContact O-N 2.77Å; M342-M344 PolarHBondContact O-N 3.2Å; M344-L347 PolarHBondContact O-N 3.38Å; M344-S348 WeakPolarHBondContact O-CB 3.29Å; M344-S348 PolarHBondContact O-N 3.44Å; M344-S348 PolarHBondContact O-OG 2.95Å
345	K	69.5	Low	61.9	Low	5 Å²	5	27 Å²	27	2%	0.022	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-50.7	173.7	-175.3	175.8	177.6	-179.1	0	111.4	F316 T317 L341 M342 Y343 L347 S348 Q349 Y361	F316-K345 HydrophobicContact CB-CB 4.34Å; T317-K345 WeakPolarHBondContact OG1-CE 3.49Å; L341-K345 VanDerWaalsContact O-CB 3.25Å; L341-K345 WeakPolarHBondContact O-CB 3.47Å; L341-K345 PolarHBondContact O-N 2.88Å; M342-K345 PolarHBondContact O-N 3.31Å; Y343-K345 PolarHBondContact O-N 3.42Å; K345-L347 VanDerWaalsContact C-N 3.3Å; K345-L347 PolarHBondContact O-N 3.04Å; K345-S348 PolarHBondContact O-N 2.87Å; K345-S348 PolarHBondContact O-OG 2.99Å; K345-Q349 WeakPolarHBondContact O-CG 3.46Å; K345-Q349 PolarHBondContact O-N 3.49Å; K345-Y361 HydrophobicContact CD-CD1 4.16Å; K345-Y361 HydrophobicContact CD-CE1 4.11Å; K345-Y361 HydrophobicContact CD-CG 4.42Å; K345-Y361 VanDerWaalsContact CE-CZ 3.41Å; K345-Y361 PolarHBondContact NZ-OH 3.23Å
346	A	65.3	Low	62.3	Low	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-42.8	177.7	0	0	0	0	0	111.5	M342 Y343 Q349 H350 A358	M342-A346 VanDerWaalsContact O-CB 3.32Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.45Å; Y343-A346 PolarHBondContact O-N 2.74Å; A346-Q349 PolarHBondContact O-N 3.35Å; A346-H350 WeakPolarHBondContact O-CB 3.06Å; A346-H350 PolarHBondContact O-N 3.44Å; A346-A358 WeakPolarHBondContact O-CB 3.32Å
347	L	61.7	Low	63	Low	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-47.6	176.1	-174.6	68.4	0	0	0	111.9	I104 L304 Y343 M344 K345 Q349 H350 Y351 L378	I104-L347 HydrophobicContact CD1-CD2 3.83Å; L304-L347 HydrophobicContact CD2-CD2 4.35Å; Y343-L347 HydrophobicContact CE1-CD2 4.14Å; Y343-L347 WeakPolarHBondContact O-CB 3.21Å; Y343-L347 PolarHBondContact O-N 2.83Å; M344-L347 PolarHBondContact O-N 3.38Å; K345-L347 VanDerWaalsContact C-N 3.3Å; K345-L347 PolarHBondContact O-N 3.04Å; L347-Q349 PolarHBondContact O-N 3.23Å; L347-H350 WeakPolarHBondContact O-CB 3.15Å; L347-H350 PolarHBondContact O-N 3.27Å; L347-Y351 HydrophobicContact CD1-CD2 4.22Å; L347-Y351 HydrophobicContact CD1-CE2 3.43Å; L347-Y351 VanDerWaalsContact CD1-CE2 3.43Å; L347-Y351 HydrophobicContact CD2-CE2 4.05Å; L347-Y351 HydrophobicContact CG-CD2 3.96Å; L347-Y351 HydrophobicContact CG-CE2 3.44Å; L347-Y351 VanDerWaalsContact CG-CE2 3.44Å; L347-Y351 WeakPolarHBondContact O-CD2 3.25Å; L347-Y351 PolarHBondContact O-N 3.37Å; L347-L378 HydrophobicContact CD1-CD2 3.5Å
348	S	64.9	Low	63.5	Low	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-37.3	178.9	69.4	0	0	0	0	113	A313 M344 K345 Y351 T352	A313-S348 VanDerWaalsContact CA-OG 3.24Å; A313-S348 WeakPolarHBondContact CA-OG 3.44Å; A313-S348 WeakPolarHBondContact CB-OG 3.21Å; M344-S348 WeakPolarHBondContact O-CB 3.29Å; M344-S348 PolarHBondContact O-N 3.44Å; M344-S348 PolarHBondContact O-OG 2.95Å; K345-S348 PolarHBondContact O-N 2.87Å; K345-S348 PolarHBondContact O-OG 2.99Å; S348-Y351 PolarHBondContact O-N 3.43Å; S348-T352 WeakPolarHBondContact O-CG2 3.41Å; S348-T352 PolarHBondContact O-N 3.36Å; S348-T352 VanDerWaalsContact O-N 3.09Å; S348-T352 PolarHBondContact O-OG1 3.29Å
349	Q	67.7	Low	63.5	Low	16 Å²	16	29.6 Å²	29.6	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-69.3	-37.4	177	-75	177.6	-24.3	0	0	112.4	K345 A346 L347 Y351 T352 K354 A358	K345-Q349 WeakPolarHBondContact O-CG 3.46Å; K345-Q349 PolarHBondContact O-N 3.49Å; A346-Q349 PolarHBondContact O-N 3.35Å; L347-Q349 PolarHBondContact O-N 3.23Å; Q349-Y351 VanDerWaalsContact C-N 3.26Å; Q349-Y351 PolarHBondContact O-N 3.49Å; Q349-T352 WeakPolarHBondContact CA-OG1 3.39Å; Q349-T352 PolarHBondContact O-N 3.13Å; Q349-T352 PolarHBondContact O-OG1 3.45Å; Q349-K354 HydrophobicContact CB-CB 4.48Å; Q349-K354 PolarHBondContact O-N 3.17Å; Q349-A358 HydrophobicContact CB-CB 3.8Å
350	H	61.9	Low	63.9	Low	31 Å²	31	35.7 Å²	35.7	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-45.9	172.2	-177.6	65	0	0	0	111.2	A346 L347 T352 S353 L355 A358 L379	A346-H350 WeakPolarHBondContact O-CB 3.06Å; A346-H350 PolarHBondContact O-N 3.44Å; L347-H350 WeakPolarHBondContact O-CB 3.15Å; L347-H350 PolarHBondContact O-N 3.27Å; H350-T352 VanDerWaalsContact C-N 3.32Å; H350-T352 PolarHBondContact O-N 3.31Å; H350-S353 PolarHBondContact O-N 3.06Å; H350-L355 WeakPolarHBondContact ND1-CD1 3.11Å; H350-A358 HydrophobicContact CB-CB 4.09Å; H350-L379 HydrophobicContact CB-CD2 3.43Å; H350-L379 VanDerWaalsContact CB-CD2 3.43Å; H350-L379 VanDerWaalsContact ND1-CD2 3.28Å; H350-L379 WeakPolarHBondContact ND1-CD2 3.15Å
351	Y	60.4	Low	64.3	Low	19 Å²	19	38.7 Å²	38.7	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-72.6	-21.4	-179	-68.1	-49.5	0	0	0	114.3	Y93 Y96 L97 L304 L309 L347 S348 Q349 S353	Y93-Y351 AromaticContact CE2-CD1 3.86Å; Y93-Y351 HydrophobicContact CE2-CD1 3.86Å; Y93-Y351 AromaticContact CE2-CE1 3.81Å; Y93-Y351 HydrophobicContact CE2-CE1 3.81Å; Y93-Y351 AromaticContact CZ-CD1 3.65Å; Y93-Y351 AromaticContact CZ-CE1 3.83Å; Y93-Y351 WeakPolarHBondContact OH-CD1 3.48Å; Y93-Y351 WeakPolarHBondContact OH-CE1 3.44Å; Y96-Y351 AromaticContact CE1-CE1 3.97Å; Y96-Y351 HydrophobicContact CE1-CE1 3.97Å; Y96-Y351 AromaticContact CE1-CZ 3.9Å; Y96-Y351 WeakPolarHBondContact CE1-OH 3.45Å; L97-Y351 HydrophobicContact CD1-CD2 4.32Å; L97-Y351 HydrophobicContact CD1-CE2 3.67Å; L304-Y351 HydrophobicContact CD1-CD2 4.29Å; L309-Y351 HydrophobicContact CD2-CD2 4.35Å; L309-Y351 HydrophobicContact CD2-CG 4.31Å; L347-Y351 HydrophobicContact CD1-CD2 4.22Å; L347-Y351 HydrophobicContact CD1-CE2 3.43Å; L347-Y351 VanDerWaalsContact CD1-CE2 3.43Å; L347-Y351 HydrophobicContact CD2-CE2 4.05Å; L347-Y351 HydrophobicContact CG-CD2 3.96Å; L347-Y351 HydrophobicContact CG-CE2 3.44Å; L347-Y351 VanDerWaalsContact CG-CE2 3.44Å; L347-Y351 WeakPolarHBondContact O-CD2 3.25Å; L347-Y351 PolarHBondContact O-N 3.37Å; S348-Y351 PolarHBondContact O-N 3.43Å; Q349-Y351 VanDerWaalsContact C-N 3.26Å; Q349-Y351 PolarHBondContact O-N 3.49Å; Y351-S353 PolarHBondContact O-N 2.82Å
352	T	63.6	Low	64.3	Low	40 Å²	40	38.8 Å²	38.8	25%	0.245	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	14.6	172.6	53.6	0	0	0	0	113.2	L309 A313 S348 Q349 H350 K354	L309-T352 HydrophobicContact CB-CG2 4.01Å; L309-T352 WeakPolarHBondContact O-CG2 3.35Å; A313-T352 HydrophobicContact CB-CG2 4.39Å; S348-T352 WeakPolarHBondContact O-CG2 3.41Å; S348-T352 PolarHBondContact O-N 3.36Å; S348-T352 VanDerWaalsContact O-N 3.09Å; S348-T352 PolarHBondContact O-OG1 3.29Å; Q349-T352 WeakPolarHBondContact CA-OG1 3.39Å; Q349-T352 PolarHBondContact O-N 3.13Å; Q349-T352 PolarHBondContact O-OG1 3.45Å; H350-T352 VanDerWaalsContact C-N 3.32Å; H350-T352 PolarHBondContact O-N 3.31Å; T352-K354 PolarHBondContact O-N 2.92Å
353	S	61.9	Low	64.2	Low	110 Å²	110	39.5 Å²	39.5	77%	0.769	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	14	-176.9	-53	0	0	0	0	114.7	H350 Y351 L355	H350-S353 PolarHBondContact O-N 3.06Å; Y351-S353 PolarHBondContact O-N 2.82Å; S353-L355 PolarHBondContact O-N 2.88Å; S353-L355 VanDerWaalsContact O-N 3.14Å
354	K	65.6	Low	64.4	Low	121 Å²	121	40.4 Å²	40.4	53%	0.526	21%	0.208	S	C	.	.			trans	-88.7	62.7	172	-65.1	-173.9	179.2	-175.7	0	110	Q349 T352 Q356 D357 A358	Q349-K354 HydrophobicContact CB-CB 4.48Å; Q349-K354 PolarHBondContact O-N 3.17Å; T352-K354 PolarHBondContact O-N 2.92Å; K354-Q356 VanDerWaalsContact C-N 3.28Å; K354-Q356 PolarHBondContact O-N 2.92Å; K354-D357 HydrophobicContact CB-CB 4.32Å; K354-D357 PolarHBondContact O-N 3.29Å; K354-A358 WeakPolarHBondContact O-CB 3.43Å; K354-A358 PolarHBondContact O-N 3.29Å
355	L	61.2	Low	64.3	Low	28 Å²	28	40.3 Å²	40.3	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-38.6	-173.4	-159.8	94.3	0	0	0	112	H350 S353 A358 M359 A383 L388	H350-L355 WeakPolarHBondContact ND1-CD1 3.11Å; S353-L355 PolarHBondContact O-N 2.88Å; S353-L355 VanDerWaalsContact O-N 3.14Å; L355-A358 PolarHBondContact O-N 2.99Å; L355-M359 HydrophobicContact CD2-CE 3.83Å; L355-M359 HydrophobicContact CD2-SD 4.09Å; L355-M359 HydrophobicContact CG-CE 4.19Å; L355-M359 HydrophobicContact CG-SD 4.48Å; L355-M359 WeakPolarHBondContact O-CB 3.34Å; L355-M359 WeakPolarHBondContact O-CG 3.27Å; L355-M359 PolarHBondContact O-N 3.09Å; L355-A383 HydrophobicContact CD2-CB 4.24Å; L355-L388 HydrophobicContact CD2-CD1 3.7Å
356	Q	62.5	Low	63.9	Low	128 Å²	128	40.1 Å²	40.1	60%	0.598	21%	0.207	S	C	*	.	H	α-helix	trans	-62.3	-49.3	-179.3	-169	67.8	13.9	0	0	111.9	K354 M359 E360	K354-Q356 VanDerWaalsContact C-N 3.28Å; K354-Q356 PolarHBondContact O-N 2.92Å; Q356-M359 HydrophobicContact CB-CE 4.45Å; Q356-M359 WeakPolarHBondContact O-CB 3.37Å; Q356-M359 PolarHBondContact O-N 2.88Å; Q356-E360 PolarHBondContact O-N 3.37Å
357	D	67.4	Low	63.7	Low	60 Å²	60	47.8 Å²	47.8	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-49.2	176.4	-58.7	-9.9	0	0	0	109.7	K354 M359 E360 Y361	K354-D357 HydrophobicContact CB-CB 4.32Å; K354-D357 PolarHBondContact O-N 3.29Å; D357-M359 PolarHBondContact O-N 2.97Å; D357-E360 PolarHBondContact O-N 3.48Å; D357-Y361 HydrophobicContact CB-CD2 4.44Å; D357-Y361 HydrophobicContact CB-CE2 4.41Å; D357-Y361 WeakPolarHBondContact O-CD2 3.34Å; D357-Y361 PolarHBondContact O-N 2.94Å
358	A	64.7	Low	63.6	Low	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-42.1	179.1	0	0	0	0	0	112.2	A346 Q349 H350 K354 L355 S362 L379	A346-A358 WeakPolarHBondContact O-CB 3.32Å; Q349-A358 HydrophobicContact CB-CB 3.8Å; H350-A358 HydrophobicContact CB-CB 4.09Å; K354-A358 WeakPolarHBondContact O-CB 3.43Å; K354-A358 PolarHBondContact O-N 3.29Å; L355-A358 PolarHBondContact O-N 2.99Å; A358-S362 WeakPolarHBondContact O-CB 3.15Å; A358-S362 PolarHBondContact O-N 2.94Å; A358-L379 HydrophobicContact CB-CD1 4.28Å; A358-L379 HydrophobicContact CB-CD2 3.93Å; A358-L379 VanDerWaalsContact O-CD1 3.24Å; A358-L379 WeakPolarHBondContact O-CD1 3.39Å
359	M	62.4	Low	63.3	Low	18 Å²	18	53.9 Å²	53.9	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-46.6	175.6	-75.3	-175.2	-64.9	0	0	111.6	L355 Q356 D357 Y361 S362 V363 N391 I395	L355-M359 HydrophobicContact CD2-CE 3.83Å; L355-M359 HydrophobicContact CD2-SD 4.09Å; L355-M359 HydrophobicContact CG-CE 4.19Å; L355-M359 HydrophobicContact CG-SD 4.48Å; L355-M359 WeakPolarHBondContact O-CB 3.34Å; L355-M359 WeakPolarHBondContact O-CG 3.27Å; L355-M359 PolarHBondContact O-N 3.09Å; Q356-M359 HydrophobicContact CB-CE 4.45Å; Q356-M359 WeakPolarHBondContact O-CB 3.37Å; Q356-M359 PolarHBondContact O-N 2.88Å; D357-M359 PolarHBondContact O-N 2.97Å; M359-Y361 PolarHBondContact O-N 3.26Å; M359-S362 PolarHBondContact O-N 3.44Å; M359-V363 VanDerWaalsContact O-CB 3.26Å; M359-V363 WeakPolarHBondContact O-CB 3.35Å; M359-V363 VanDerWaalsContact O-CG2 3.3Å; M359-V363 WeakPolarHBondContact O-CG2 3.3Å; M359-V363 PolarHBondContact O-N 3.08Å; M359-N391 HydrophobicContact CE-CB 4.39Å; M359-N391 HydrophobicContact SD-CB 3.92Å; M359-I395 HydrophobicContact CG-CD1 3.65Å; M359-I395 HydrophobicContact CG-CG1 4.12Å; M359-I395 HydrophobicContact SD-CD1 3.59Å; M359-I395 VanDerWaalsContact SD-CD1 3.59Å; M359-I395 HydrophobicContact SD-CG1 4.01Å
360	E	67.1	Low	62.6	Low	127 Å²	127	53.6 Å²	53.6	59%	0.593	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-44.9	179.8	-171.2	175.1	-176.5	0	0	111.6	Q356 D357 S364	Q356-E360 PolarHBondContact O-N 3.37Å; D357-E360 PolarHBondContact O-N 3.48Å; E360-S364 VanDerWaalsContact O-CB 3.27Å; E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 2.96Å; E360-S364 PolarHBondContact O-OG 3.49Å
361	Y	66.3	Low	62.2	Low	70 Å²	70	53.4 Å²	53.4	28%	0.275	27%	0.265	S	S	.	.	H	α-helix	trans	-68.5	-38.6	177.5	-76	-73.8	0	0	0	113	M342 K345 D357 M359 S364 G365	M342-Y361 VanDerWaalsContact CE-O 3.27Å; M342-Y361 WeakPolarHBondContact CE-O 3.12Å; K345-Y361 HydrophobicContact CD-CD1 4.16Å; K345-Y361 HydrophobicContact CD-CE1 4.11Å; K345-Y361 HydrophobicContact CD-CG 4.42Å; K345-Y361 VanDerWaalsContact CE-CZ 3.41Å; K345-Y361 PolarHBondContact NZ-OH 3.23Å; D357-Y361 HydrophobicContact CB-CD2 4.44Å; D357-Y361 HydrophobicContact CB-CE2 4.41Å; D357-Y361 WeakPolarHBondContact O-CD2 3.34Å; D357-Y361 PolarHBondContact O-N 2.94Å; M359-Y361 PolarHBondContact O-N 3.26Å; Y361-S364 WeakPolarHBondContact CA-OG 3.43Å; Y361-S364 PolarHBondContact O-OG 3.18Å; Y361-G365 WeakPolarHBondContact O-CA 3.44Å; Y361-G365 PolarHBondContact O-N 3.44Å
362	S	64.9	Low	62	Low	1 Å²	1	52.5 Å²	52.5	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-44.9	176.1	-179	0	0	0	0	111.5	A358 M359 G365 T366 T375 T376	A358-S362 WeakPolarHBondContact O-CB 3.15Å; A358-S362 PolarHBondContact O-N 2.94Å; M359-S362 PolarHBondContact O-N 3.44Å; S362-G365 PolarHBondContact O-N 2.87Å; S362-T366 WeakPolarHBondContact O-CB 3.25Å; S362-T366 PolarHBondContact O-N 3.35Å; S362-T366 PolarHBondContact O-OG1 3.27Å; S362-T375 PolarHBondContact OG-OG1 3.01Å; S362-T376 VanDerWaalsContact OG-CA 3.23Å; S362-T376 WeakPolarHBondContact OG-CA 3.06Å; S362-T376 PolarHBondContact OG-N 2.92Å; S362-T376 PolarHBondContact OG-OG1 2.92Å
363	V	63.1	Low	61.9	Low	24 Å²	24	50.7 Å²	50.7	15%	0.145	25%	0.25	C	S	.	.	H	α-helix	trans	-66.5	-44.9	-179.3	163.7	0	0	0	0	112	M359 G365 R367 I398	M359-V363 VanDerWaalsContact O-CB 3.26Å; M359-V363 WeakPolarHBondContact O-CB 3.35Å; M359-V363 VanDerWaalsContact O-CG2 3.3Å; M359-V363 WeakPolarHBondContact O-CG2 3.3Å; M359-V363 PolarHBondContact O-N 3.08Å; V363-G365 VanDerWaalsContact C-N 3.35Å; V363-R367 PolarHBondContact O-N 3.09Å; V363-I398 HydrophobicContact CG1-CD1 3.68Å; V363-I398 HydrophobicContact CG1-CG2 4.16Å; V363-I398 HydrophobicContact CG2-CD1 3.98Å
364	S	64.7	Low	61.6	Low	45 Å²	45	47.4 Å²	47.4	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-44.7	174	55.3	0	0	0	0	110.6	E360 Y361 T366 R367 D368	E360-S364 VanDerWaalsContact O-CB 3.27Å; E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 2.96Å; E360-S364 PolarHBondContact O-OG 3.49Å; Y361-S364 WeakPolarHBondContact CA-OG 3.43Å; Y361-S364 PolarHBondContact O-OG 3.18Å; S364-T366 PolarHBondContact O-N 2.98Å; S364-R367 WeakPolarHBondContact O-CB 3.13Å; S364-R367 PolarHBondContact O-N 2.97Å; S364-D368 PolarHBondContact O-N 3.46Å
365	G	62.9	Low	61.3	Low	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-44	179	0	0	0	0	0	113.3	M342 Y361 S362 V363 R367 D368 Y369	M342-G365 VanDerWaalsContact CE-N 3.25Å; Y361-G365 WeakPolarHBondContact O-CA 3.44Å; Y361-G365 PolarHBondContact O-N 3.44Å; S362-G365 PolarHBondContact O-N 2.87Å; V363-G365 VanDerWaalsContact C-N 3.35Å; G365-R367 VanDerWaalsContact C-N 3.28Å; G365-R367 PolarHBondContact O-N 3.34Å; G365-D368 PolarHBondContact O-N 2.82Å; G365-Y369 CarbonylContact O-C 3.58Å; G365-Y369 WeakPolarHBondContact O-CA 3.45Å; G365-Y369 VanDerWaalsContact O-CB 3.29Å; G365-Y369 WeakPolarHBondContact O-CB 3.38Å; G365-Y369 WeakPolarHBondContact O-CD2 3.48Å; G365-Y369 PolarHBondContact O-N 2.88Å
366	T	61.4	Low	61.5	Low	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-74.2	-19.6	-177.9	-48.7	0	0	0	0	112.7	S362 S364 P370 M373 T376 L402	S362-T366 WeakPolarHBondContact O-CB 3.25Å; S362-T366 PolarHBondContact O-N 3.35Å; S362-T366 PolarHBondContact O-OG1 3.27Å; S364-T366 PolarHBondContact O-N 2.98Å; T366-P370 WeakPolarHBondContact O-CA 3.29Å; T366-P370 WeakPolarHBondContact O-CG 3.45Å; T366-M373 HydrophobicContact CG2-CB 3.99Å; T366-M373 HydrophobicContact CG2-CE 3.34Å; T366-M373 HydrophobicContact CG2-CG 4.48Å; T366-M373 HydrophobicContact CG2-SD 3.72Å; T366-T376 PolarHBondContact OG1-OG1 2.8Å; T366-L402 HydrophobicContact CG2-CD1 3.81Å
367	R	61.8	Low	61.5	Low	161 Å²	161	34.6 Å²	34.6	61%	0.608	17%	0.166	S	C	*	.	H	α-helix	trans	-69.4	-43	169.8	-74.6	179.4	-179.1	-175.4	2.6	111.6	V363 S364 G365 L402	V363-R367 PolarHBondContact O-N 3.09Å; S364-R367 WeakPolarHBondContact O-CB 3.13Å; S364-R367 PolarHBondContact O-N 2.97Å; G365-R367 VanDerWaalsContact C-N 3.28Å; G365-R367 PolarHBondContact O-N 3.34Å; R367-L402 HydrophobicContact CG-CD1 4.47Å; R367-L402 HydrophobicContact CG-CD2 4.23Å
368	D	60	Low	61.2	Low	103 Å²	103	33 Å²	33	55%	0.551	16%	0.157	S	C	*	.	H	α-helix	trans	-82.6	-31.3	-178.7	-61.9	-21.7	0	0	0	111.5	S364 G365	S364-D368 PolarHBondContact O-N 3.46Å; G365-D368 PolarHBondContact O-N 2.82Å
369	Y	57.6	Low	61.1	Low	29 Å²	29	33.1 Å²	33.1	11%	0.114	16%	0.158	C	C	.	.			trans	-138.7	79.5	-172	-50.3	-65.9	0	0	0	111.1	E335 M338 M342 G365 F371 I372	E335-Y369 HydrophobicContact CB-CD1 4.01Å; E335-Y369 HydrophobicContact CB-CE1 3.57Å; E335-Y369 HydrophobicContact CG-CE1 3.97Å; E335-Y369 WeakPolarHBondContact O-CD1 3.22Å; E335-Y369 WeakPolarHBondContact O-CE1 3.45Å; M338-Y369 HydrophobicContact CB-CE1 4.26Å; M338-Y369 HydrophobicContact CB-CE2 4.17Å; M338-Y369 HydrophobicContact CG-CE2 3.94Å; M338-Y369 VanDerWaalsContact CG-OH 3.25Å; M338-Y369 WeakPolarHBondContact CG-OH 3.48Å; M342-Y369 HydrophobicContact SD-CD2 3.79Å; M342-Y369 HydrophobicContact SD-CE2 3.59Å; M342-Y369 VanDerWaalsContact SD-CE2 3.59Å; G365-Y369 CarbonylContact O-C 3.58Å; G365-Y369 WeakPolarHBondContact O-CA 3.45Å; G365-Y369 VanDerWaalsContact O-CB 3.29Å; G365-Y369 WeakPolarHBondContact O-CB 3.38Å; G365-Y369 WeakPolarHBondContact O-CD2 3.48Å; G365-Y369 PolarHBondContact O-N 2.88Å; Y369-F371 HydrophobicContact CD1-CE1 4.15Å; Y369-F371 HydrophobicContact CG-CE1 4.23Å; Y369-F371 HydrophobicContact CG-CZ 4.47Å; Y369-F371 PolarHBondContact O-N 3.12Å; Y369-I372 VanDerWaalsContact CB-CD1 3.45Å; Y369-I372 HydrophobicContact CD2-CD1 4.05Å; Y369-I372 HydrophobicContact CG-CD1 4.14Å; Y369-I372 WeakPolarHBondContact O-CG1 3.25Å; Y369-I372 PolarHBondContact O-N 3.06Å
370	P	53.7	Low	61.2	Low	11 Å²	11	32.3 Å²	32.3	7%	0.071	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.3	-172.8	-33.3	44	0	0	0	115.4	T366 I372 M373 Y417 F421	T366-P370 WeakPolarHBondContact O-CA 3.29Å; T366-P370 WeakPolarHBondContact O-CG 3.45Å; P370-I372 PolarHBondContact O-N 3.16Å; P370-I372 VanDerWaalsContact O-N 3.12Å; P370-M373 VanDerWaalsContact O-CB 3.31Å; P370-M373 WeakPolarHBondContact O-CB 3.5Å; P370-M373 PolarHBondContact O-N 3.01Å; P370-M373 VanDerWaalsContact O-N 3.08Å; P370-Y417 HydrophobicContact CB-CD1 4.42Å; P370-Y417 HydrophobicContact CB-CE1 3.8Å; P370-Y417 HydrophobicContact CG-CE1 3.56Å; P370-F421 HydrophobicContact CB-CE2 3.8Å; P370-F421 HydrophobicContact CB-CZ 4.06Å; P370-F421 WeakPolarHBondContact O-CZ 3.29Å
371	F	54.1	Low	61	Low	26 Å²	26	27.6 Å²	27.6	11%	0.114	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-62.7	-15	175	66.8	-100	0	0	0	115	L111 S336 Y369 M373 T420	L111-F371 HydrophobicContact CD1-CD2 4.04Å; L111-F371 HydrophobicContact CD1-CE2 4.34Å; L111-F371 HydrophobicContact CD2-CB 4.04Å; L111-F371 HydrophobicContact CD2-CD1 4.26Å; L111-F371 HydrophobicContact CD2-CD2 3.3Å; L111-F371 HydrophobicContact CD2-CE2 3.7Å; L111-F371 HydrophobicContact CD2-CG 3.63Å; L111-F371 HydrophobicContact CD2-CZ 4.32Å; L111-F371 HydrophobicContact CG-CD2 4.33Å; S336-F371 WeakPolarHBondContact O-CZ 3.49Å; Y369-F371 HydrophobicContact CD1-CE1 4.15Å; Y369-F371 HydrophobicContact CG-CE1 4.23Å; Y369-F371 HydrophobicContact CG-CZ 4.47Å; Y369-F371 PolarHBondContact O-N 3.12Å; F371-M373 PolarHBondContact O-N 3.12Å; F371-T420 HydrophobicContact CB-CG2 3.28Å; F371-T420 WeakPolarHBondContact CB-OG1 3.44Å; F371-T420 HydrophobicContact CG-CG2 4.19Å
372	I	55.8	Low	60.5	Low	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-84.4	3.1	176.9	-49.2	164.9	0	0	0	111.8	G339 M342 Y343 Y369 P370 D374 T375	G339-I372 VanDerWaalsContact C-CD1 3.46Å; G339-I372 WeakPolarHBondContact O-CD1 3.38Å; G339-I372 WeakPolarHBondContact O-CG1 3.43Å; M342-I372 HydrophobicContact CB-CD1 4.2Å; Y343-I372 HydrophobicContact CD2-CG2 3.83Å; Y343-I372 HydrophobicContact CG-CG2 4.22Å; Y369-I372 VanDerWaalsContact CB-CD1 3.45Å; Y369-I372 HydrophobicContact CD2-CD1 4.05Å; Y369-I372 HydrophobicContact CG-CD1 4.14Å; Y369-I372 WeakPolarHBondContact O-CG1 3.25Å; Y369-I372 PolarHBondContact O-N 3.06Å; P370-I372 PolarHBondContact O-N 3.16Å; P370-I372 VanDerWaalsContact O-N 3.12Å; I372-D374 PolarHBondContact O-N 3.32Å; I372-T375 HydrophobicContact CG2-CG2 3.68Å; I372-T375 WeakPolarHBondContact CG2-OG1 3.36Å; I372-T375 PolarHBondContact O-N 2.87Å; I372-T375 PolarHBondContact O-OG1 2.62Å
373	M	60	Low	60.3	Low	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-49.1	-31.8	-178.7	-170.8	62.7	71.8	0	0	113.4	T366 P370 F371 T375 T376 L377 A399 L402 V403 F421 V427	T366-M373 HydrophobicContact CG2-CB 3.99Å; T366-M373 HydrophobicContact CG2-CE 3.34Å; T366-M373 HydrophobicContact CG2-CG 4.48Å; T366-M373 HydrophobicContact CG2-SD 3.72Å; P370-M373 VanDerWaalsContact O-CB 3.31Å; P370-M373 WeakPolarHBondContact O-CB 3.5Å; P370-M373 PolarHBondContact O-N 3.01Å; P370-M373 VanDerWaalsContact O-N 3.08Å; F371-M373 PolarHBondContact O-N 3.12Å; M373-T375 VanDerWaalsContact C-N 3.26Å; M373-T375 PolarHBondContact O-N 3.31Å; M373-T376 WeakPolarHBondContact O-CA 3.41Å; M373-T376 VanDerWaalsContact O-CB 3.25Å; M373-T376 WeakPolarHBondContact O-CB 3.5Å; M373-T376 PolarHBondContact O-N 3.25Å; M373-T376 HydrophobicContact SD-CG2 4.37Å; M373-L377 PolarHBondContact O-N 3.46Å; M373-A399 HydrophobicContact CE-CB 4.48Å; M373-A399 HydrophobicContact SD-CB 3.5Å; M373-A399 VanDerWaalsContact SD-CB 3.5Å; M373-L402 HydrophobicContact CE-CB 3.49Å; M373-L402 VanDerWaalsContact CE-CB 3.49Å; M373-L402 HydrophobicContact CE-CD1 3.89Å; M373-L402 HydrophobicContact CE-CG 4.34Å; M373-V403 HydrophobicContact CE-CG2 4.12Å; M373-F421 HydrophobicContact CB-CE1 4.27Å; M373-F421 HydrophobicContact CB-CZ 4.28Å; M373-F421 HydrophobicContact CG-CE1 4.45Å; M373-V427 HydrophobicContact CG-CG1 3.93Å
374	D	57.7	Low	60.2	Low	41 Å²	41	24.3 Å²	24.3	22%	0.219	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-33	177.2	-74.7	11.2	0	0	0	112.8	R107 I372 L378	R107-D374 IonicContact CZ-OD2 2.72Å; R107-D374 IonicContact NH1-OD2 3.55Å; R107-D374 PolarHBondContact NH1-OD2 3.06Å; R107-D374 IonicContact NH2-OD2 2.97Å; R107-D374 PolarHBondContact NH2-OD2 2.69Å; I372-D374 PolarHBondContact O-N 3.32Å; D374-L378 VanDerWaalsContact O-CB 3.27Å; D374-L378 WeakPolarHBondContact O-CB 3.44Å; D374-L378 PolarHBondContact O-N 2.88Å
375	T	59	Low	59.7	Low	2 Å²	2	26.6 Å²	26.6	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-40.3	170.6	61.1	0	0	0	0	111.8	Y343 S362 I372 M373 L377 L378 L379	Y343-T375 HydrophobicContact CD1-CG2 3.93Å; Y343-T375 HydrophobicContact CD2-CG2 3.01Å; Y343-T375 HydrophobicContact CE1-CG2 3.98Å; Y343-T375 HydrophobicContact CE2-CG2 3.09Å; Y343-T375 HydrophobicContact CG-CG2 3.38Å; S362-T375 PolarHBondContact OG-OG1 3.01Å; I372-T375 HydrophobicContact CG2-CG2 3.68Å; I372-T375 WeakPolarHBondContact CG2-OG1 3.36Å; I372-T375 PolarHBondContact O-N 2.87Å; I372-T375 PolarHBondContact O-OG1 2.62Å; M373-T375 VanDerWaalsContact C-N 3.26Å; M373-T375 PolarHBondContact O-N 3.31Å; T375-L377 VanDerWaalsContact C-N 3.27Å; T375-L377 PolarHBondContact O-N 3.09Å; T375-L378 WeakPolarHBondContact O-CB 3.27Å; T375-L378 PolarHBondContact O-N 3.29Å; T375-L378 VanDerWaalsContact O-N 3.11Å; T375-L379 WeakPolarHBondContact O-CB 3.12Å; T375-L379 VanDerWaalsContact O-CG 3.24Å; T375-L379 WeakPolarHBondContact O-CG 3.45Å; T375-L379 PolarHBondContact O-N 3.28Å
376	T	63.8	Low	59.2	Low	1 Å²	1	30 Å²	30	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-44.1	-180	-50.5	0	0	0	0	109	S362 T366 M373 A380 I395 A399	S362-T376 VanDerWaalsContact OG-CA 3.23Å; S362-T376 WeakPolarHBondContact OG-CA 3.06Å; S362-T376 PolarHBondContact OG-N 2.92Å; S362-T376 PolarHBondContact OG-OG1 2.92Å; T366-T376 PolarHBondContact OG1-OG1 2.8Å; M373-T376 WeakPolarHBondContact O-CA 3.41Å; M373-T376 VanDerWaalsContact O-CB 3.25Å; M373-T376 WeakPolarHBondContact O-CB 3.5Å; M373-T376 PolarHBondContact O-N 3.25Å; M373-T376 HydrophobicContact SD-CG2 4.37Å; T376-A380 WeakPolarHBondContact O-CB 3.43Å; T376-A380 PolarHBondContact O-N 3.43Å; T376-I395 HydrophobicContact CG2-CG2 3.31Å; T376-I395 VanDerWaalsContact O-CG2 3.23Å; T376-I395 WeakPolarHBondContact O-CG2 3.4Å; T376-A399 HydrophobicContact CG2-CB 4.15Å
377	L	62.4	Low	58.9	Low	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-45.3	171.1	-77.1	175.4	0	0	0	112.5	M373 T375 L379 A380 Q381 L396 V427 Q430 V431	M373-L377 PolarHBondContact O-N 3.46Å; T375-L377 VanDerWaalsContact C-N 3.27Å; T375-L377 PolarHBondContact O-N 3.09Å; L377-L379 PolarHBondContact O-N 3.34Å; L377-A380 PolarHBondContact O-N 3.38Å; L377-Q381 VanDerWaalsContact O-CG 3.29Å; L377-Q381 WeakPolarHBondContact O-CG 3.2Å; L377-Q381 PolarHBondContact O-N 2.97Å; L377-L396 HydrophobicContact CD2-CD2 3.97Å; L377-V427 HydrophobicContact CD1-CG1 4.07Å; L377-Q430 HydrophobicContact CD1-CB 4.49Å; L377-V431 HydrophobicContact CD1-CG2 4.32Å; L377-V431 HydrophobicContact CD2-CB 4.31Å; L377-V431 HydrophobicContact CD2-CG2 3.51Å; L377-V431 HydrophobicContact CG-CG2 4.2Å
378	L	61.3	Low	58.8	Low	25 Å²	25	26.7 Å²	26.7	13%	0.131	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-45.1	179.2	-156.2	69.5	0	0	0	112.7	Y96 L347 D374 T375 Q381 G382	Y96-L378 HydrophobicContact CE2-CD1 3.95Å; Y96-L378 WeakPolarHBondContact OH-CD1 3.42Å; Y96-L378 VanDerWaalsContact OH-CD2 3.24Å; Y96-L378 WeakPolarHBondContact OH-CD2 3.25Å; Y96-L378 WeakPolarHBondContact OH-CG 3.39Å; L347-L378 HydrophobicContact CD1-CD2 3.5Å; D374-L378 VanDerWaalsContact O-CB 3.27Å; D374-L378 WeakPolarHBondContact O-CB 3.44Å; D374-L378 PolarHBondContact O-N 2.88Å; T375-L378 WeakPolarHBondContact O-CB 3.27Å; T375-L378 PolarHBondContact O-N 3.29Å; T375-L378 VanDerWaalsContact O-N 3.11Å; L378-Q381 WeakPolarHBondContact O-CB 3.48Å; L378-Q381 PolarHBondContact O-N 2.9Å; L378-G382 PolarHBondContact O-N 3.03Å
379	L	63.2	Low	59.2	Low	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-67.1	-40.6	177.6	-68	177.6	0	0	0	111.2	H350 A358 T375 L377 Q381 G382 A383 I395	H350-L379 HydrophobicContact CB-CD2 3.43Å; H350-L379 VanDerWaalsContact CB-CD2 3.43Å; H350-L379 VanDerWaalsContact ND1-CD2 3.28Å; H350-L379 WeakPolarHBondContact ND1-CD2 3.15Å; A358-L379 HydrophobicContact CB-CD1 4.28Å; A358-L379 HydrophobicContact CB-CD2 3.93Å; A358-L379 VanDerWaalsContact O-CD1 3.24Å; A358-L379 WeakPolarHBondContact O-CD1 3.39Å; T375-L379 WeakPolarHBondContact O-CB 3.12Å; T375-L379 VanDerWaalsContact O-CG 3.24Å; T375-L379 WeakPolarHBondContact O-CG 3.45Å; T375-L379 PolarHBondContact O-N 3.28Å; L377-L379 PolarHBondContact O-N 3.34Å; L379-Q381 VanDerWaalsContact C-N 3.32Å; L379-Q381 PolarHBondContact O-N 2.72Å; L379-G382 PolarHBondContact O-N 3.18Å; L379-A383 WeakPolarHBondContact O-CB 3.48Å; L379-A383 PolarHBondContact O-N 3.49Å; L379-I395 HydrophobicContact CB-CD1 4.26Å
380	A	64.9	Low	59.8	Low	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-42.1	173.5	0	0	0	0	0	111.6	T376 L377 A383 A384 A392 I395 L396 L434	T376-A380 WeakPolarHBondContact O-CB 3.43Å; T376-A380 PolarHBondContact O-N 3.43Å; L377-A380 PolarHBondContact O-N 3.38Å; A380-A383 PolarHBondContact O-N 2.77Å; A380-A384 WeakPolarHBondContact O-CB 3.46Å; A380-A384 PolarHBondContact O-N 3.47Å; A380-A392 WeakPolarHBondContact O-CB 3.19Å; A380-I395 HydrophobicContact CB-CB 4.12Å; A380-I395 HydrophobicContact CB-CD1 4.37Å; A380-I395 HydrophobicContact CB-CG2 3.85Å; A380-L396 HydrophobicContact CB-CD1 4.17Å; A380-L396 HydrophobicContact CB-CD2 3.93Å; A380-L396 HydrophobicContact CB-CG 3.73Å; A380-L434 HydrophobicContact CB-CD2 4.08Å
381	Q	61.9	Low	60.5	Low	29 Å²	29	29.2 Å²	29.2	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-45.3	174.4	-72.4	176.6	3.5	0	0	111.6	L377 L378 L379 A384 R385 L434	L377-Q381 VanDerWaalsContact O-CG 3.29Å; L377-Q381 WeakPolarHBondContact O-CG 3.2Å; L377-Q381 PolarHBondContact O-N 2.97Å; L378-Q381 WeakPolarHBondContact O-CB 3.48Å; L378-Q381 PolarHBondContact O-N 2.9Å; L379-Q381 VanDerWaalsContact C-N 3.32Å; L379-Q381 PolarHBondContact O-N 2.72Å; Q381-A384 PolarHBondContact O-N 3.32Å; Q381-R385 WeakPolarHBondContact O-CB 3.42Å; Q381-R385 VanDerWaalsContact O-CG 3.32Å; Q381-R385 WeakPolarHBondContact O-CG 3.11Å; Q381-R385 PolarHBondContact O-N 3.32Å; Q381-L434 HydrophobicContact CB-CD2 4.34Å; Q381-L434 HydrophobicContact CG-CD1 4.46Å; Q381-L434 HydrophobicContact CG-CD2 3.46Å; Q381-L434 VanDerWaalsContact CG-CD2 3.46Å
382	G	57.6	Low	61.2	Low	11 Å²	11	28 Å²	28	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-46.5	176.4	0	0	0	0	0	112.1	L378 L379 R385 T386	L378-G382 PolarHBondContact O-N 3.03Å; L379-G382 PolarHBondContact O-N 3.18Å; G382-R385 PolarHBondContact O-N 3.32Å; G382-T386 PolarHBondContact O-N 3.2Å; G382-T386 VanDerWaalsContact O-N 3.11Å; G382-T386 PolarHBondContact O-OG1 2.91Å
383	A	60.7	Low	62.3	Low	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-41.4	175.6	0	0	0	0	0	112.3	L355 L379 A380 T386 S387 L388 N391 A392	L355-A383 HydrophobicContact CD2-CB 4.24Å; L379-A383 WeakPolarHBondContact O-CB 3.48Å; L379-A383 PolarHBondContact O-N 3.49Å; A380-A383 PolarHBondContact O-N 2.77Å; A383-T386 PolarHBondContact O-N 2.88Å; A383-T386 PolarHBondContact O-OG1 3.46Å; A383-T386 VanDerWaalsContact O-OG1 3.09Å; A383-S387 PolarHBondContact O-N 3.31Å; A383-L388 HydrophobicContact CB-CB 4.29Å; A383-L388 WeakPolarHBondContact O-CA 3.13Å; A383-L388 WeakPolarHBondContact O-CB 3.32Å; A383-L388 PolarHBondContact O-N 3.38Å; A383-N391 HydrophobicContact CB-CB 4.43Å; A383-A392 HydrophobicContact CB-CB 3.98Å
384	A	59	Low	63.1	Low	14 Å²	14	33.7 Å²	33.7	12%	0.116	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-39	175.8	0	0	0	0	0	111.9	A380 Q381 T386 S387 A392 V438	A380-A384 WeakPolarHBondContact O-CB 3.46Å; A380-A384 PolarHBondContact O-N 3.47Å; Q381-A384 PolarHBondContact O-N 3.32Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 2.98Å; A384-S387 PolarHBondContact O-N 2.91Å; A384-S387 VanDerWaalsContact O-N 3.15Å; A384-A392 HydrophobicContact CB-CB 4.07Å; A384-V438 HydrophobicContact CB-CG2 4.08Å
385	R	56.1	Low	63.7	Low	93 Å²	93	32 Å²	32	35%	0.351	16%	0.161	S	C	.	.	H	α-helix	trans	-66.5	-30.1	177	-76.1	177.4	-178.8	173.8	3.1	113.2	V81 Q381 G382 S387	V81-R385 HydrophobicContact CG2-CG 4.18Å; Q381-R385 WeakPolarHBondContact O-CB 3.42Å; Q381-R385 VanDerWaalsContact O-CG 3.32Å; Q381-R385 WeakPolarHBondContact O-CG 3.11Å; Q381-R385 PolarHBondContact O-N 3.32Å; G382-R385 PolarHBondContact O-N 3.32Å; R385-S387 VanDerWaalsContact C-N 3.26Å
386	T	51	Low	64.7	Low	73 Å²	73	31.9 Å²	31.9	45%	0.448	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.8	174.7	57.8	0	0	0	0	113.2	G382 A383 A384 L388	G382-T386 PolarHBondContact O-N 3.2Å; G382-T386 VanDerWaalsContact O-N 3.11Å; G382-T386 PolarHBondContact O-OG1 2.91Å; A383-T386 PolarHBondContact O-N 2.88Å; A383-T386 PolarHBondContact O-OG1 3.46Å; A383-T386 VanDerWaalsContact O-OG1 3.09Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 2.98Å; T386-L388 PolarHBondContact O-N 3.38Å
387	S	55	Low	65.6	Low	13 Å²	13	33.2 Å²	33.2	9%	0.091	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	18.7	-177.4	-54.2	0	0	0	0	114.6	A383 A384 R385 Y389	A383-S387 PolarHBondContact O-N 3.31Å; A384-S387 PolarHBondContact O-N 2.91Å; A384-S387 VanDerWaalsContact O-N 3.15Å; R385-S387 VanDerWaalsContact C-N 3.26Å; S387-Y389 WeakPolarHBondContact O-CD2 3.36Å; S387-Y389 PolarHBondContact O-N 3.5Å; S387-Y389 VanDerWaalsContact O-N 3.07Å
388	L	59.9	Low	66	Low	77 Å²	77	34.9 Å²	34.9	40%	0.403	18%	0.178	S	C	.	.			trans	-85	57.6	172.6	-62.1	174.2	0	0	0	110.4	L355 A383 T386 Y390 N391 A392	L355-L388 HydrophobicContact CD2-CD1 3.7Å; A383-L388 HydrophobicContact CB-CB 4.29Å; A383-L388 WeakPolarHBondContact O-CA 3.13Å; A383-L388 WeakPolarHBondContact O-CB 3.32Å; A383-L388 PolarHBondContact O-N 3.38Å; T386-L388 PolarHBondContact O-N 3.38Å; L388-Y390 PolarHBondContact O-N 2.99Å; L388-N391 HydrophobicContact CB-CB 4.29Å; L388-N391 PolarHBondContact O-N 2.89Å; L388-N391 VanDerWaalsContact O-N 3.13Å; L388-A392 PolarHBondContact O-N 2.62Å
389	Y	68.6	Low	66.4	Low	15 Å²	15	33.7 Å²	33.7	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-37.7	-170.8	-64.4	-63.7	0	0	0	114	S387 N391 A392 L393 V438 R441 L442	S387-Y389 WeakPolarHBondContact O-CD2 3.36Å; S387-Y389 PolarHBondContact O-N 3.5Å; S387-Y389 VanDerWaalsContact O-N 3.07Å; Y389-N391 PolarHBondContact O-N 3.22Å; Y389-A392 PolarHBondContact O-N 3.39Å; Y389-L393 WeakPolarHBondContact O-CB 3.46Å; Y389-L393 PolarHBondContact O-N 3.36Å; Y389-V438 HydrophobicContact CD1-CG1 4.38Å; Y389-V438 HydrophobicContact CD1-CG2 4.48Å; Y389-V438 VanDerWaalsContact O-CG1 3.26Å; Y389-V438 WeakPolarHBondContact O-CG1 3.13Å; Y389-R441 HydrophobicContact CD1-CB 4.04Å; Y389-R441 HydrophobicContact CD2-CB 4.35Å; Y389-R441 HydrophobicContact CE1-CB 3.8Å; Y389-R441 HydrophobicContact CE1-CG 3.87Å; Y389-R441 HydrophobicContact CE2-CB 4.12Å; Y389-R441 HydrophobicContact CG-CB 4.32Å; Y389-L442 HydrophobicContact CG-CD2 4.49Å
390	Y	71	Confident	67.3	Low	132 Å²	132	34.3 Å²	34.3	52%	0.518	18%	0.175	S	C	.	.	H	α-helix	trans	-63.3	-40.7	176.1	-72	-73.8	0	0	0	112.5	L388 L393 N394 L442 T648	L388-Y390 PolarHBondContact O-N 2.99Å; Y390-L393 PolarHBondContact O-N 3.47Å; Y390-N394 VanDerWaalsContact O-CG 3.31Å; Y390-N394 PolarHBondContact O-N 3.3Å; Y390-N394 PolarHBondContact O-ND2 3.13Å; Y390-L442 HydrophobicContact CD1-CD1 4.32Å; Y390-L442 HydrophobicContact CD1-CD2 4.22Å; Y390-L442 HydrophobicContact CD2-CD2 4Å; Y390-L442 HydrophobicContact CE1-CD1 4.4Å; Y390-L442 HydrophobicContact CE1-CD2 3.97Å; Y390-L442 HydrophobicContact CE2-CD2 3.72Å; Y390-L442 HydrophobicContact CG-CD2 4.24Å; Y390-T648 HydrophobicContact CE2-CG2 4.05Å
391	N	67	Low	67.8	Low	49 Å²	49	43.2 Å²	43.2	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-46.5	176.1	-69.4	-9.2	0	0	0	110.3	M359 A383 L388 Y389 L393 N394 I395	M359-N391 HydrophobicContact CE-CB 4.39Å; M359-N391 HydrophobicContact SD-CB 3.92Å; A383-N391 HydrophobicContact CB-CB 4.43Å; L388-N391 HydrophobicContact CB-CB 4.29Å; L388-N391 PolarHBondContact O-N 2.89Å; L388-N391 VanDerWaalsContact O-N 3.13Å; Y389-N391 PolarHBondContact O-N 3.22Å; N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 3.31Å; N391-N394 PolarHBondContact O-N 2.82Å; N391-I395 VanDerWaalsContact O-CG1 3.24Å; N391-I395 WeakPolarHBondContact O-CG1 3.48Å; N391-I395 PolarHBondContact O-N 3.37Å
392	A	69.2	Low	68	Low	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-44.1	174.8	0	0	0	0	0	111.9	A380 A383 A384 L388 Y389 I395 L396 V438	A380-A392 WeakPolarHBondContact O-CB 3.19Å; A383-A392 HydrophobicContact CB-CB 3.98Å; A384-A392 HydrophobicContact CB-CB 4.07Å; L388-A392 PolarHBondContact O-N 2.62Å; Y389-A392 PolarHBondContact O-N 3.39Å; A392-I395 PolarHBondContact O-N 2.9Å; A392-L396 WeakPolarHBondContact O-CB 3.04Å; A392-L396 WeakPolarHBondContact O-CD1 3.44Å; A392-L396 VanDerWaalsContact O-CG 3.24Å; A392-L396 WeakPolarHBondContact O-CG 3.23Å; A392-L396 PolarHBondContact O-N 3Å; A392-V438 HydrophobicContact CB-CG1 4.36Å; A392-V438 HydrophobicContact CB-CG2 4.09Å
393	L	80	Confident	68.5	Low	22 Å²	22	42.5 Å²	42.5	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-42.1	178.9	-177.2	61.1	0	0	0	112.3	Y389 Y390 N391 L396 S397 R435 V438 N439 L442	Y389-L393 WeakPolarHBondContact O-CB 3.46Å; Y389-L393 PolarHBondContact O-N 3.36Å; Y390-L393 PolarHBondContact O-N 3.47Å; N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 3.31Å; L393-L396 PolarHBondContact O-N 3.37Å; L393-S397 VanDerWaalsContact O-CB 3.29Å; L393-S397 WeakPolarHBondContact O-CB 3.38Å; L393-S397 PolarHBondContact O-N 3.37Å; L393-S397 PolarHBondContact O-OG 3.36Å; L393-R435 HydrophobicContact CD1-CG 4.01Å; L393-V438 HydrophobicContact CB-CG1 3.83Å; L393-N439 WeakPolarHBondContact CD1-OD1 3.32Å; L393-L442 HydrophobicContact CB-CD1 4.27Å; L393-L442 HydrophobicContact CD2-CD1 3.68Å
394	N	76.3	Confident	69	Low	101 Å²	101	45 Å²	45	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-46.9	176.9	-75.3	-20.5	0	0	0	111.1	Y390 N391 S397 I398	Y390-N394 VanDerWaalsContact O-CG 3.31Å; Y390-N394 PolarHBondContact O-N 3.3Å; Y390-N394 PolarHBondContact O-ND2 3.13Å; N391-N394 PolarHBondContact O-N 2.82Å; N394-S397 PolarHBondContact O-N 3.11Å; N394-I398 WeakPolarHBondContact O-CG1 3.46Å; N394-I398 PolarHBondContact O-N 3.49Å; N394-I398 VanDerWaalsContact O-N 3.16Å
395	I	69	Low	69.3	Low	4 Å²	4	48.9 Å²	48.9	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-48.8	176.6	-62	165	0	0	0	110.6	M359 T376 L379 A380 N391 A392 S397 I398 A399	M359-I395 HydrophobicContact CG-CD1 3.65Å; M359-I395 HydrophobicContact CG-CG1 4.12Å; M359-I395 HydrophobicContact SD-CD1 3.59Å; M359-I395 VanDerWaalsContact SD-CD1 3.59Å; M359-I395 HydrophobicContact SD-CG1 4.01Å; T376-I395 HydrophobicContact CG2-CG2 3.31Å; T376-I395 VanDerWaalsContact O-CG2 3.23Å; T376-I395 WeakPolarHBondContact O-CG2 3.4Å; L379-I395 HydrophobicContact CB-CD1 4.26Å; A380-I395 HydrophobicContact CB-CB 4.12Å; A380-I395 HydrophobicContact CB-CD1 4.37Å; A380-I395 HydrophobicContact CB-CG2 3.85Å; N391-I395 VanDerWaalsContact O-CG1 3.24Å; N391-I395 WeakPolarHBondContact O-CG1 3.48Å; N391-I395 PolarHBondContact O-N 3.37Å; A392-I395 PolarHBondContact O-N 2.9Å; I395-S397 VanDerWaalsContact C-N 3.3Å; I395-S397 PolarHBondContact O-N 2.91Å; I395-I398 PolarHBondContact O-N 2.89Å; I395-A399 WeakPolarHBondContact O-CB 3.35Å; I395-A399 PolarHBondContact O-N 3.2Å
396	L	80.2	Confident	69.4	Low	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-31.7	-178.3	-71.8	162.8	0	0	0	113	L377 A380 A392 L393 I398 A399 L400 V431 L434 R435 V438	L377-L396 HydrophobicContact CD2-CD2 3.97Å; A380-L396 HydrophobicContact CB-CD1 4.17Å; A380-L396 HydrophobicContact CB-CD2 3.93Å; A380-L396 HydrophobicContact CB-CG 3.73Å; A392-L396 WeakPolarHBondContact O-CB 3.04Å; A392-L396 WeakPolarHBondContact O-CD1 3.44Å; A392-L396 VanDerWaalsContact O-CG 3.24Å; A392-L396 WeakPolarHBondContact O-CG 3.23Å; A392-L396 PolarHBondContact O-N 3Å; L393-L396 PolarHBondContact O-N 3.37Å; L396-I398 VanDerWaalsContact C-N 3.34Å; L396-A399 PolarHBondContact O-N 3.32Å; L396-L400 WeakPolarHBondContact O-CB 3.39Å; L396-L400 PolarHBondContact O-N 3.25Å; L396-V431 HydrophobicContact CD2-CG1 4.13Å; L396-L434 HydrophobicContact CD1-CB 4.19Å; L396-L434 HydrophobicContact CD1-CD2 3.95Å; L396-L434 HydrophobicContact CD1-CG 3.76Å; L396-L434 HydrophobicContact CD2-CB 4.26Å; L396-L434 HydrophobicContact CD2-CD2 4Å; L396-L434 HydrophobicContact CD2-CG 4.37Å; L396-L434 HydrophobicContact CG-CD2 4.48Å; L396-R435 HydrophobicContact CB-CB 4.15Å; L396-R435 HydrophobicContact CB-CG 4.23Å; L396-R435 HydrophobicContact CD1-CB 4.19Å; L396-V438 HydrophobicContact CD1-CG2 4.06Å
397	S	82.7	Confident	69.9	Low	29 Å²	29	44.7 Å²	44.7	20%	0.203	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-38.4	174.9	-64.1	0	0	0	0	111.6	L393 N394 I395 R401	L393-S397 VanDerWaalsContact O-CB 3.29Å; L393-S397 WeakPolarHBondContact O-CB 3.38Å; L393-S397 PolarHBondContact O-N 3.37Å; L393-S397 PolarHBondContact O-OG 3.36Å; N394-S397 PolarHBondContact O-N 3.11Å; I395-S397 VanDerWaalsContact C-N 3.3Å; I395-S397 PolarHBondContact O-N 2.91Å; S397-R401 WeakPolarHBondContact O-CG 3.29Å; S397-R401 PolarHBondContact O-N 3.38Å
398	I	71.3	Confident	70	Confident	42 Å²	42	50.2 Å²	50.2	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-46.6	174.1	-64.2	169.5	0	0	0	110.4	V363 N394 I395 L396 L400 R401 L402	V363-I398 HydrophobicContact CG1-CD1 3.68Å; V363-I398 HydrophobicContact CG1-CG2 4.16Å; V363-I398 HydrophobicContact CG2-CD1 3.98Å; N394-I398 WeakPolarHBondContact O-CG1 3.46Å; N394-I398 PolarHBondContact O-N 3.49Å; N394-I398 VanDerWaalsContact O-N 3.16Å; I395-I398 PolarHBondContact O-N 2.89Å; L396-I398 VanDerWaalsContact C-N 3.34Å; I398-L400 VanDerWaalsContact C-N 3.34Å; I398-L400 PolarHBondContact O-N 3.23Å; I398-R401 PolarHBondContact O-N 3.48Å; I398-L402 HydrophobicContact CG2-CD1 3.92Å; I398-L402 HydrophobicContact CG2-CG 4.47Å; I398-L402 WeakPolarHBondContact O-CG 3.41Å; I398-L402 PolarHBondContact O-N 3.4Å
399	A	70.5	Confident	69.5	Low	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.5	-47.9	176.6	0	0	0	0	0	111.5	M373 T376 I395 L396 R401 L402 V403 V431	M373-A399 HydrophobicContact CE-CB 4.48Å; M373-A399 HydrophobicContact SD-CB 3.5Å; M373-A399 VanDerWaalsContact SD-CB 3.5Å; T376-A399 HydrophobicContact CG2-CB 4.15Å; I395-A399 WeakPolarHBondContact O-CB 3.35Å; I395-A399 PolarHBondContact O-N 3.2Å; L396-A399 PolarHBondContact O-N 3.32Å; A399-R401 PolarHBondContact O-N 3.3Å; A399-L402 PolarHBondContact O-N 2.86Å; A399-V403 WeakPolarHBondContact O-CG2 3.23Å; A399-V403 PolarHBondContact O-N 3.46Å; A399-V431 HydrophobicContact CB-CG1 4.28Å; A399-V431 HydrophobicContact CB-CG2 4.13Å
400	L	81.3	Confident	68.3	Low	17 Å²	17	57.9 Å²	57.9	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-40	179.4	-170.9	65.4	0	0	0	112.3	L396 I398 V403 N404 K428 V431 L432 R435	L396-L400 WeakPolarHBondContact O-CB 3.39Å; L396-L400 PolarHBondContact O-N 3.25Å; I398-L400 VanDerWaalsContact C-N 3.34Å; I398-L400 PolarHBondContact O-N 3.23Å; L400-V403 PolarHBondContact O-N 3.05Å; L400-N404 WeakPolarHBondContact O-CB 3.34Å; L400-N404 VanDerWaalsContact O-CG 3.3Å; L400-N404 PolarHBondContact O-N 3.31Å; L400-N404 PolarHBondContact O-ND2 3.26Å; L400-K428 HydrophobicContact CD1-CG 4.39Å; L400-V431 HydrophobicContact CB-CG1 3.81Å; L400-V431 HydrophobicContact CD1-CG1 4.05Å; L400-L432 HydrophobicContact CD1-CD2 3.83Å; L400-L432 HydrophobicContact CD1-CG 3.98Å; L400-L432 HydrophobicContact CD2-CD2 3.91Å; L400-R435 VanDerWaalsContact CD2-NH1 3.26Å
401	R	76.3	Confident	66.6	Low	186 Å²	186	60.2 Å²	60.2	70%	0.702	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-45.5	175.4	-77	178.2	-176.9	-174.1	2.7	111.3	S397 I398 A399 N404 I405	S397-R401 WeakPolarHBondContact O-CG 3.29Å; S397-R401 PolarHBondContact O-N 3.38Å; I398-R401 PolarHBondContact O-N 3.48Å; A399-R401 PolarHBondContact O-N 3.3Å; R401-N404 PolarHBondContact O-N 3.38Å; R401-I405 WeakPolarHBondContact O-CD1 3.29Å; R401-I405 VanDerWaalsContact O-CG1 3.26Å; R401-I405 WeakPolarHBondContact O-CG1 3.49Å; R401-I405 PolarHBondContact O-N 3.24Å
402	L	65.7	Low	65.1	Low	25 Å²	25	60.5 Å²	60.5	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-46.4	177.7	-73	168.6	0	0	0	111.4	T366 R367 M373 I398 A399 N404 I405 V406	T366-L402 HydrophobicContact CG2-CD1 3.81Å; R367-L402 HydrophobicContact CG-CD1 4.47Å; R367-L402 HydrophobicContact CG-CD2 4.23Å; M373-L402 HydrophobicContact CE-CB 3.49Å; M373-L402 VanDerWaalsContact CE-CB 3.49Å; M373-L402 HydrophobicContact CE-CD1 3.89Å; M373-L402 HydrophobicContact CE-CG 4.34Å; I398-L402 HydrophobicContact CG2-CD1 3.92Å; I398-L402 HydrophobicContact CG2-CG 4.47Å; I398-L402 WeakPolarHBondContact O-CG 3.41Å; I398-L402 PolarHBondContact O-N 3.4Å; A399-L402 PolarHBondContact O-N 2.86Å; L402-N404 VanDerWaalsContact C-N 3.34Å; L402-N404 PolarHBondContact O-N 2.85Å; L402-I405 PolarHBondContact O-N 2.96Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.37Å; L402-V406 VanDerWaalsContact O-N 3.13Å
403	V	68.5	Low	63.7	Low	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-43.9	176	172	0	0	0	0	111.5	M373 A399 L400 V406 D407 F421 I424 V427 K428	M373-V403 HydrophobicContact CE-CG2 4.12Å; A399-V403 WeakPolarHBondContact O-CG2 3.23Å; A399-V403 PolarHBondContact O-N 3.46Å; L400-V403 PolarHBondContact O-N 3.05Å; V403-V406 PolarHBondContact O-N 3Å; V403-D407 WeakPolarHBondContact O-CB 3.22Å; V403-D407 PolarHBondContact O-N 3.04Å; V403-F421 HydrophobicContact CG2-CE1 4.49Å; V403-I424 HydrophobicContact CG1-CG2 4.09Å; V403-V427 HydrophobicContact CG2-CG1 4.11Å; V403-K428 HydrophobicContact CG1-CB 3.61Å; V403-K428 HydrophobicContact CG1-CD 4.04Å; V403-K428 HydrophobicContact CG1-CG 3.83Å
404	N	71.4	Confident	61.6	Low	52 Å²	52	66.9 Å²	66.9	28%	0.278	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-37.4	178.2	-73.3	-17.3	0	0	0	112.9	L400 R401 L402 V406 D407 D408 K428	L400-N404 WeakPolarHBondContact O-CB 3.34Å; L400-N404 VanDerWaalsContact O-CG 3.3Å; L400-N404 PolarHBondContact O-N 3.31Å; L400-N404 PolarHBondContact O-ND2 3.26Å; R401-N404 PolarHBondContact O-N 3.38Å; L402-N404 VanDerWaalsContact C-N 3.34Å; L402-N404 PolarHBondContact O-N 2.85Å; N404-V406 VanDerWaalsContact C-N 3.25Å; N404-V406 PolarHBondContact O-N 3.47Å; N404-D407 PolarHBondContact O-N 2.85Å; N404-D408 WeakPolarHBondContact O-CB 3.41Å; N404-D408 PolarHBondContact O-N 3.14Å; N404-K428 WeakPolarHBondContact OD1-CE 3.4Å; N404-K428 PolarHBondContact OD1-NZ 2.93Å
405	I	63.9	Low	59.5	Low	97 Å²	97	65.5 Å²	65.5	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-37.7	174.6	-69.2	162.3	0	0	0	110.8	R401 L402 N409	R401-I405 WeakPolarHBondContact O-CD1 3.29Å; R401-I405 VanDerWaalsContact O-CG1 3.26Å; R401-I405 WeakPolarHBondContact O-CG1 3.49Å; R401-I405 PolarHBondContact O-N 3.24Å; L402-I405 PolarHBondContact O-N 2.96Å; I405-N409 WeakPolarHBondContact O-CB 3.2Å; I405-N409 PolarHBondContact O-N 3.39Å; I405-N409 PolarHBondContact O-ND2 2.89Å
406	V	59	Low	57.9	Low	19 Å²	19	67.6 Å²	67.6	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-38.3	177.2	-179.3	0	0	0	0	111.2	L402 V403 N404 Y417 I424	L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.37Å; L402-V406 VanDerWaalsContact O-N 3.13Å; V403-V406 PolarHBondContact O-N 3Å; N404-V406 VanDerWaalsContact C-N 3.25Å; N404-V406 PolarHBondContact O-N 3.47Å; V406-Y417 HydrophobicContact CG1-CD1 4.13Å; V406-Y417 HydrophobicContact CG2-CD1 4.16Å; V406-Y417 HydrophobicContact CG2-CE1 4.03Å; V406-I424 HydrophobicContact CG1-CD1 3.75Å; V406-I424 HydrophobicContact CG1-CG1 4.44Å
407	D	62.1	Low	55.6	Low	58 Å²	58	71.3 Å²	71.3	31%	0.31	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-42.6	179.2	-156.6	21.2	0	0	0	112.5	V403 N404 I424 K428	V403-D407 WeakPolarHBondContact O-CB 3.22Å; V403-D407 PolarHBondContact O-N 3.04Å; N404-D407 PolarHBondContact O-N 2.85Å; D407-I424 HydrophobicContact CB-CG2 4.48Å; D407-K428 IonicContact OD2-NZ 3.9Å; D407-K428 PolarHBondContact OD2-NZ 2.88Å
408	D	57.1	Low	53	Low	129 Å²	129	74.3 Å²	74.3	69%	0.69	38%	0.384	S	S	*	.	H	α-helix	trans	-70.9	-31.2	-179.3	-74.6	-23.8	0	0	0	112.8	N404 N410	N404-D408 WeakPolarHBondContact O-CB 3.41Å; N404-D408 PolarHBondContact O-N 3.14Å; D408-N410 PolarHBondContact O-N 3.49Å
409	N	48.4	Very low	51.2	Low	100 Å²	100	75.5 Å²	75.5	54%	0.535	39%	0.388	S	S	.	.			trans	-76.9	77.6	173.5	-72	-34	0	0	0	109.1	I405 K411	I405-N409 WeakPolarHBondContact O-CB 3.2Å; I405-N409 PolarHBondContact O-N 3.39Å; I405-N409 PolarHBondContact O-ND2 2.89Å; N409-K411 CarbonylContact O-C 3.58Å; N409-K411 PolarHBondContact O-N 3.49Å
410	N	42.9	Very low	49.7	Very low	154 Å²	154	77.5 Å²	77.5	82%	0.824	40%	0.401	S	S	*	.	S	Bend	trans	-53.4	11.1	175	-95.1	-34.2	0	0	0	116	D408	D408-N410 PolarHBondContact O-N 3.49Å
411	K	36.7	Very low	47.4	Very low	181 Å²	181	77.2 Å²	77.2	79%	0.787	40%	0.399	S	S	*	.	S	Bend	trans	-142.4	93.6	166.4	-67.1	-179	-178.8	175.6	0	107.3	N409 S413	N409-K411 CarbonylContact O-C 3.58Å; N409-K411 PolarHBondContact O-N 3.49Å; K411-S413 VanDerWaalsContact C-N 3.34Å; K411-S413 PolarHBondContact O-N 3.4Å
412	P	35.8	Very low	45.9	Very low	55 Å²	55	72.6 Å²	72.6	36%	0.357	40%	0.4	S	S	.	.			trans	-57.2	105.9	159.9	20.8	-27.9	0	0	0	106.8	S414 Y417 I418	P412-S414 PolarHBondContact O-N 3.32Å; P412-Y417 HydrophobicContact CB-CG 4.44Å; P412-I418 HydrophobicContact CB-CG1 4.05Å; P412-I418 HydrophobicContact CG-CD1 3.9Å; P412-I418 HydrophobicContact CG-CG1 3.49Å; P412-I418 VanDerWaalsContact CG-CG1 3.49Å
413	S	39.5	Very low	45.3	Very low	125 Å²	125	75.2 Å²	75.2	87%	0.874	41%	0.414	S	S	*	.	S	Bend	trans	-69.2	-11.6	-173.8	49.2	0	0	0	0	112.6	K411	K411-S413 VanDerWaalsContact C-N 3.34Å; K411-S413 PolarHBondContact O-N 3.4Å
414	S	35.2	Very low	44.9	Very low	31 Å²	31	77.2 Å²	77.2	22%	0.217	42%	0.424	C	S	.	.	S	Bend	trans	-120	132.6	164.4	57.2	0	0	0	0	110.3	P412 E416 Y417	P412-S414 PolarHBondContact O-N 3.32Å; S414-E416 PolarHBondContact O-N 2.61Å; S414-Y417 PolarHBondContact O-N 2.92Å; S414-Y417 VanDerWaalsContact OG-CD2 3.25Å; S414-Y417 WeakPolarHBondContact OG-CD2 3.12Å
415	V	32.7	Very low	44.7	Very low	72 Å²	72	81.2 Å²	81.2	44%	0.436	44%	0.439	S	S	.	.	H	α-helix	trans	-51.1	-20.9	170.8	175.4	0	0	0	0	111.6	Y417 I418	V415-Y417 PolarHBondContact O-N 3.25Å; V415-I418 WeakPolarHBondContact O-CB 3.35Å; V415-I418 PolarHBondContact O-N 2.86Å; V415-I418 VanDerWaalsContact O-N 3.15Å
416	E	36	Very low	44.6	Very low	48 Å²	48	80.6 Å²	80.6	22%	0.224	44%	0.437	C	S	.	.	H	α-helix	trans	-58.4	-36	174.5	-63.8	-177.4	158.8	0	0	114.1	E114 S414 I418 T420	E114-E416 WeakPolarHBondContact CB-OE1 3.42Å; E114-E416 HydrophobicContact CG-CG 3.72Å; E114-E416 WeakPolarHBondContact CG-OE1 3.37Å; E114-E416 WeakPolarHBondContact OE1-CB 2.99Å; E114-E416 VanDerWaalsContact OE1-CD 3.29Å; E114-E416 WeakPolarHBondContact OE1-CG 3.3Å; E114-E416 VanDerWaalsContact OE2-OE1 3.13Å; S414-E416 PolarHBondContact O-N 2.61Å; E416-I418 VanDerWaalsContact C-N 3.35Å; E416-T420 PolarHBondContact O-OG1 3.43Å
417	Y	30.3	Very low	44.9	Very low	78 Å²	78	80.3 Å²	80.3	31%	0.306	44%	0.435	S	S	.	.	H	α-helix	trans	-72.4	-28.6	175.6	-81.7	-94.8	0	0	0	112.9	P370 V406 P412 S414 V415 E419	P370-Y417 HydrophobicContact CB-CD1 4.42Å; P370-Y417 HydrophobicContact CB-CE1 3.8Å; P370-Y417 HydrophobicContact CG-CE1 3.56Å; V406-Y417 HydrophobicContact CG1-CD1 4.13Å; V406-Y417 HydrophobicContact CG2-CD1 4.16Å; V406-Y417 HydrophobicContact CG2-CE1 4.03Å; P412-Y417 HydrophobicContact CB-CG 4.44Å; S414-Y417 PolarHBondContact O-N 2.92Å; S414-Y417 VanDerWaalsContact OG-CD2 3.25Å; S414-Y417 WeakPolarHBondContact OG-CD2 3.12Å; V415-Y417 PolarHBondContact O-N 3.25Å; Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 3.08Å
418	I	27.8	Very low	45.4	Very low	91 Å²	91	79.3 Å²	79.3	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-71.6	-30.4	-170.2	-60.2	177.9	0	0	0	111.4	P412 V415 E416	P412-I418 HydrophobicContact CB-CG1 4.05Å; P412-I418 HydrophobicContact CG-CD1 3.9Å; P412-I418 HydrophobicContact CG-CG1 3.49Å; P412-I418 VanDerWaalsContact CG-CG1 3.49Å; V415-I418 WeakPolarHBondContact O-CB 3.35Å; V415-I418 PolarHBondContact O-N 2.86Å; V415-I418 VanDerWaalsContact O-N 3.15Å; E416-I418 VanDerWaalsContact C-N 3.35Å
419	E	35.2	Very low	46.3	Very low	67 Å²	67	73.9 Å²	73.9	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-93.3	-31.5	-171	-63.8	-172.7	179.4	0	0	113.9	R129 Y417 A422	R129-E419 VanDerWaalsContact CB-OE1 3.25Å; R129-E419 WeakPolarHBondContact CB-OE1 3.39Å; R129-E419 WeakPolarHBondContact CD-OE1 3.2Å; R129-E419 WeakPolarHBondContact CD-OE2 3.19Å; R129-E419 IonicContact CZ-OE2 3.61Å; R129-E419 VanDerWaalsContact CZ-OE2 3.26Å; R129-E419 IonicContact NE-OE2 2.67Å; R129-E419 PolarHBondContact NE-OE2 2.61Å; R129-E419 IonicContact NH1-OE1 3.41Å; R129-E419 IonicContact NH1-OE2 2.94Å; R129-E419 PolarHBondContact NH1-OE2 3.12Å; Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 3.08Å; E419-A422 PolarHBondContact O-N 3.42Å
420	T	38.4	Very low	47.4	Very low	43 Å²	43	71.4 Å²	71.4	26%	0.264	38%	0.383	S	S	.	.	H	α-helix	trans	-80.1	-27.6	179.4	39.6	0	0	0	0	112.4	L111 F371 E416	L111-T420 HydrophobicContact CD2-CG2 3.46Å; L111-T420 VanDerWaalsContact CD2-CG2 3.46Å; L111-T420 HydrophobicContact CG-CG2 4.26Å; F371-T420 HydrophobicContact CB-CG2 3.28Å; F371-T420 WeakPolarHBondContact CB-OG1 3.44Å; F371-T420 HydrophobicContact CG-CG2 4.19Å; E416-T420 PolarHBondContact O-OG1 3.43Å
421	F	33.1	Very low	48.9	Very low	11 Å²	11	64 Å²	64	5%	0.048	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	48	164.2	-61.3	-89.2	0	0	0	111.9	P370 M373 V403 D423 I424 V427	P370-F421 HydrophobicContact CB-CE2 3.8Å; P370-F421 HydrophobicContact CB-CZ 4.06Å; P370-F421 WeakPolarHBondContact O-CZ 3.29Å; M373-F421 HydrophobicContact CB-CE1 4.27Å; M373-F421 HydrophobicContact CB-CZ 4.28Å; M373-F421 HydrophobicContact CG-CE1 4.45Å; V403-F421 HydrophobicContact CG2-CE1 4.49Å; F421-D423 CarbonylContact O-C 3.56Å; F421-D423 VanDerWaalsContact O-CA 3.31Å; F421-D423 WeakPolarHBondContact O-CA 3.48Å; F421-D423 PolarHBondContact O-N 2.91Å; F421-I424 HydrophobicContact CB-CB 4.19Å; F421-I424 HydrophobicContact CB-CD1 4.25Å; F421-I424 HydrophobicContact CB-CG1 3.2Å; F421-I424 HydrophobicContact CD1-CG1 4.18Å; F421-I424 HydrophobicContact CG-CG1 3.8Å; F421-I424 PolarHBondContact O-N 3.1Å; F421-V427 HydrophobicContact CD1-CB 4.14Å; F421-V427 HydrophobicContact CD1-CG1 4.35Å; F421-V427 HydrophobicContact CD1-CG2 3.91Å; F421-V427 HydrophobicContact CE1-CB 4.37Å; F421-V427 HydrophobicContact CE1-CG1 4.07Å; F421-V427 HydrophobicContact CE1-CG2 4.39Å
422	A	44.6	Very low	51.3	Low	88 Å²	88	55.7 Å²	55.7	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-17.4	174	0	0	0	0	0	113.3	E419	E419-A422 PolarHBondContact O-N 3.42Å
423	D	53.3	Low	53.5	Low	81 Å²	81	54.3 Å²	54.3	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	87.4	153.4	-163.6	-11.4	0	0	0	112.4	F421 K425 L426 V427	F421-D423 CarbonylContact O-C 3.56Å; F421-D423 VanDerWaalsContact O-CA 3.31Å; F421-D423 WeakPolarHBondContact O-CA 3.48Å; F421-D423 PolarHBondContact O-N 2.91Å; D423-K425 PolarHBondContact O-N 2.8Å; D423-K425 VanDerWaalsContact O-N 3.12Å; D423-K425 WeakPolarHBondContact OD1-CA 3.35Å; D423-K425 VanDerWaalsContact OD1-CB 3.25Å; D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 PolarHBondContact OD1-N 2.71Å; D423-K425 VanDerWaalsContact OD1-N 3.14Å; D423-L426 HydrophobicContact CB-CB 3.57Å; D423-L426 WeakPolarHBondContact O-CA 3.46Å; D423-L426 VanDerWaalsContact O-CB 3.31Å; D423-L426 WeakPolarHBondContact O-CB 3.37Å; D423-L426 PolarHBondContact O-N 2.72Å; D423-L426 PolarHBondContact OD1-N 3.13Å; D423-L426 VanDerWaalsContact OD1-N 3.1Å; D423-V427 PolarHBondContact O-N 3.08Å; D423-V427 VanDerWaalsContact O-N 3.08Å
424	I	59.9	Low	55.3	Low	41 Å²	41	49.5 Å²	49.5	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-48	-38.3	171	-65.2	168.4	0	0	0	109.9	V403 V406 D407 F421 V427 K428	V403-I424 HydrophobicContact CG1-CG2 4.09Å; V406-I424 HydrophobicContact CG1-CD1 3.75Å; V406-I424 HydrophobicContact CG1-CG1 4.44Å; D407-I424 HydrophobicContact CB-CG2 4.48Å; F421-I424 HydrophobicContact CB-CB 4.19Å; F421-I424 HydrophobicContact CB-CD1 4.25Å; F421-I424 HydrophobicContact CB-CG1 3.2Å; F421-I424 HydrophobicContact CD1-CG1 4.18Å; F421-I424 HydrophobicContact CG-CG1 3.8Å; F421-I424 PolarHBondContact O-N 3.1Å; I424-V427 PolarHBondContact O-N 3.46Å; I424-K428 VanDerWaalsContact O-CB 3.28Å; I424-K428 WeakPolarHBondContact O-CB 3.27Å; I424-K428 PolarHBondContact O-N 3.32Å
425	K	66.2	Low	57.8	Low	136 Å²	136	49.7 Å²	49.7	59%	0.591	26%	0.257	S	S	*	.	H	α-helix	trans	-66.9	-38.5	179.6	-58.3	178.3	176.8	177.3	0	111.2	D423 K428 H429 L458	D423-K425 PolarHBondContact O-N 2.8Å; D423-K425 VanDerWaalsContact O-N 3.12Å; D423-K425 WeakPolarHBondContact OD1-CA 3.35Å; D423-K425 VanDerWaalsContact OD1-CB 3.25Å; D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 PolarHBondContact OD1-N 2.71Å; D423-K425 VanDerWaalsContact OD1-N 3.14Å; K425-K428 PolarHBondContact O-N 2.92Å; K425-H429 WeakPolarHBondContact O-CB 3.37Å; K425-H429 PolarHBondContact O-N 3.3Å; K425-L458 HydrophobicContact CB-CD2 4.47Å
426	L	63.3	Low	60.4	Low	85 Å²	85	46.3 Å²	46.3	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-46.1	173.1	-177.1	65.9	0	0	0	111.7	D423 H429 Q430	D423-L426 HydrophobicContact CB-CB 3.57Å; D423-L426 WeakPolarHBondContact O-CA 3.46Å; D423-L426 VanDerWaalsContact O-CB 3.31Å; D423-L426 WeakPolarHBondContact O-CB 3.37Å; D423-L426 PolarHBondContact O-N 2.72Å; D423-L426 PolarHBondContact OD1-N 3.13Å; D423-L426 VanDerWaalsContact OD1-N 3.1Å; L426-H429 WeakPolarHBondContact O-CB 3.16Å; L426-H429 PolarHBondContact O-N 3.2Å; L426-Q430 WeakPolarHBondContact O-CG 3.28Å; L426-Q430 PolarHBondContact O-N 3.04Å
427	V	63.8	Low	62.5	Low	12 Å²	12	46 Å²	46	7%	0.073	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-45.4	178.6	-179.8	0	0	0	0	110.4	M373 L377 V403 F421 D423 I424 H429 Q430 V431	M373-V427 HydrophobicContact CG-CG1 3.93Å; L377-V427 HydrophobicContact CD1-CG1 4.07Å; V403-V427 HydrophobicContact CG2-CG1 4.11Å; F421-V427 HydrophobicContact CD1-CB 4.14Å; F421-V427 HydrophobicContact CD1-CG1 4.35Å; F421-V427 HydrophobicContact CD1-CG2 3.91Å; F421-V427 HydrophobicContact CE1-CB 4.37Å; F421-V427 HydrophobicContact CE1-CG1 4.07Å; F421-V427 HydrophobicContact CE1-CG2 4.39Å; D423-V427 PolarHBondContact O-N 3.08Å; D423-V427 VanDerWaalsContact O-N 3.08Å; I424-V427 PolarHBondContact O-N 3.46Å; V427-H429 VanDerWaalsContact C-N 3.29Å; V427-H429 PolarHBondContact O-N 2.99Å; V427-Q430 PolarHBondContact O-N 2.87Å; V427-V431 HydrophobicContact CG1-CG2 4.39Å; V427-V431 VanDerWaalsContact O-CG2 3.3Å; V427-V431 WeakPolarHBondContact O-CG2 3.44Å; V427-V431 PolarHBondContact O-N 2.95Å
428	K	74.4	Confident	64.8	Low	37 Å²	37	42.3 Å²	42.3	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-44.4	174.2	-167.4	168.7	174.3	157.3	0	111.4	L400 V403 N404 D407 I424 K425 V431 L432 L458	L400-K428 HydrophobicContact CD1-CG 4.39Å; V403-K428 HydrophobicContact CG1-CB 3.61Å; V403-K428 HydrophobicContact CG1-CD 4.04Å; V403-K428 HydrophobicContact CG1-CG 3.83Å; N404-K428 WeakPolarHBondContact OD1-CE 3.4Å; N404-K428 PolarHBondContact OD1-NZ 2.93Å; D407-K428 IonicContact OD2-NZ 3.9Å; D407-K428 PolarHBondContact OD2-NZ 2.88Å; I424-K428 VanDerWaalsContact O-CB 3.28Å; I424-K428 WeakPolarHBondContact O-CB 3.27Å; I424-K428 PolarHBondContact O-N 3.32Å; K425-K428 PolarHBondContact O-N 2.92Å; K428-V431 PolarHBondContact O-N 3.22Å; K428-L432 HydrophobicContact CG-CD1 4.03Å; K428-L432 WeakPolarHBondContact O-CB 3.45Å; K428-L432 VanDerWaalsContact O-CG 3.26Å; K428-L432 WeakPolarHBondContact O-CG 3.27Å; K428-L432 PolarHBondContact O-N 3.25Å; K428-L458 HydrophobicContact CB-CD1 4.01Å; K428-L458 HydrophobicContact CD-CD1 4.22Å; K428-L458 HydrophobicContact CG-CD1 3.87Å
429	H	74.5	Confident	67.6	Low	16 Å²	16	38.1 Å²	38.1	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-47.5	176.6	173.7	78.2	0	0	0	111.4	K425 L426 V427 L432 Q433 C455 L458 S459 D462	K425-H429 WeakPolarHBondContact O-CB 3.37Å; K425-H429 PolarHBondContact O-N 3.3Å; L426-H429 WeakPolarHBondContact O-CB 3.16Å; L426-H429 PolarHBondContact O-N 3.2Å; V427-H429 VanDerWaalsContact C-N 3.29Å; V427-H429 PolarHBondContact O-N 2.99Å; H429-L432 PolarHBondContact O-N 3.18Å; H429-Q433 VanDerWaalsContact O-CB 3.23Å; H429-Q433 WeakPolarHBondContact O-CB 3.43Å; H429-Q433 PolarHBondContact O-N 3.43Å; H429-C455 PolarHBondContact CE1-SG 3.08Å; H429-C455 PolarHBondContact ND1-O 3.4Å; H429-C455 PolarHBondContact ND1-SG 3.49Å; H429-L458 HydrophobicContact CB-CB 4.27Å; H429-L458 HydrophobicContact CB-CD1 3.98Å; H429-S459 VanDerWaalsContact CE1-CB 3.42Å; H429-S459 WeakPolarHBondContact CE1-CB 3.28Å; H429-D462 IonicContact CE1-OD2 2.66Å; H429-D462 IonicContact NE2-OD2 3.05Å; H429-D462 PolarHBondContact NE2-OD2 3.02Å
430	Q	71.6	Confident	69.8	Low	47 Å²	47	35.2 Å²	35.2	22%	0.22	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-42.8	177.1	-72	176	-5.7	0	0	113	L377 L426 V427 Q433 L434	L377-Q430 HydrophobicContact CD1-CB 4.49Å; L426-Q430 WeakPolarHBondContact O-CG 3.28Å; L426-Q430 PolarHBondContact O-N 3.04Å; V427-Q430 PolarHBondContact O-N 2.87Å; Q430-Q433 PolarHBondContact O-N 3.22Å; Q430-L434 PolarHBondContact O-N 3.41Å
431	V	75.1	Confident	71.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-49.3	175.3	173.5	0	0	0	0	110	L377 L396 A399 L400 V427 K428 L434 R435	L377-V431 HydrophobicContact CD1-CG2 4.32Å; L377-V431 HydrophobicContact CD2-CB 4.31Å; L377-V431 HydrophobicContact CD2-CG2 3.51Å; L377-V431 HydrophobicContact CG-CG2 4.2Å; L396-V431 HydrophobicContact CD2-CG1 4.13Å; A399-V431 HydrophobicContact CB-CG1 4.28Å; A399-V431 HydrophobicContact CB-CG2 4.13Å; L400-V431 HydrophobicContact CB-CG1 3.81Å; L400-V431 HydrophobicContact CD1-CG1 4.05Å; V427-V431 HydrophobicContact CG1-CG2 4.39Å; V427-V431 VanDerWaalsContact O-CG2 3.3Å; V427-V431 WeakPolarHBondContact O-CG2 3.44Å; V427-V431 PolarHBondContact O-N 2.95Å; K428-V431 PolarHBondContact O-N 3.22Å; V431-L434 PolarHBondContact O-N 3.41Å; V431-R435 WeakPolarHBondContact O-CB 3.35Å; V431-R435 PolarHBondContact O-N 2.86Å
432	L	86.2	Confident	73.4	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-41.7	-179.7	-73.4	169.3	0	0	0	112.1	L400 K428 H429 R435 A436 D451 C455 L458	L400-L432 HydrophobicContact CD1-CD2 3.83Å; L400-L432 HydrophobicContact CD1-CG 3.98Å; L400-L432 HydrophobicContact CD2-CD2 3.91Å; K428-L432 HydrophobicContact CG-CD1 4.03Å; K428-L432 WeakPolarHBondContact O-CB 3.45Å; K428-L432 VanDerWaalsContact O-CG 3.26Å; K428-L432 WeakPolarHBondContact O-CG 3.27Å; K428-L432 PolarHBondContact O-N 3.25Å; H429-L432 PolarHBondContact O-N 3.18Å; L432-R435 PolarHBondContact O-N 2.99Å; L432-A436 VanDerWaalsContact O-CB 3.22Å; L432-A436 WeakPolarHBondContact O-CB 3.43Å; L432-A436 PolarHBondContact O-N 2.9Å; L432-D451 HydrophobicContact CD2-CB 4.32Å; L432-C455 HydrophobicContact CB-CB 4.02Å; L432-L458 HydrophobicContact CD1-CD1 3.86Å
433	Q	82.5	Confident	74.9	Confident	26 Å²	26	30.6 Å²	30.6	12%	0.121	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-49.8	177.1	-176.5	-179.2	61.1	0	0	111.4	H429 Q430 L437 D462 L464 C465	H429-Q433 VanDerWaalsContact O-CB 3.23Å; H429-Q433 WeakPolarHBondContact O-CB 3.43Å; H429-Q433 PolarHBondContact O-N 3.43Å; Q430-Q433 PolarHBondContact O-N 3.22Å; Q433-L437 PolarHBondContact O-N 2.8Å; Q433-D462 VanDerWaalsContact NE2-CG 3.25Å; Q433-D462 PolarHBondContact NE2-OD1 3.1Å; Q433-D462 PolarHBondContact NE2-OD2 3.1Å; Q433-L464 HydrophobicContact CG-CB 4.38Å; Q433-L464 HydrophobicContact CG-CD2 3.61Å; Q433-L464 HydrophobicContact CG-CG 4.03Å; Q433-C465 VanDerWaalsContact CB-SG 3.59Å; Q433-C465 VanDerWaalsContact CG-SG 3.6Å
434	L	78.3	Confident	76.4	Confident	23 Å²	23	29.9 Å²	29.9	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-39.1	178.9	-172.6	62.2	0	0	0	112.1	A380 Q381 L396 Q430 V431 L437 V438	A380-L434 HydrophobicContact CB-CD2 4.08Å; Q381-L434 HydrophobicContact CB-CD2 4.34Å; Q381-L434 HydrophobicContact CG-CD1 4.46Å; Q381-L434 HydrophobicContact CG-CD2 3.46Å; Q381-L434 VanDerWaalsContact CG-CD2 3.46Å; L396-L434 HydrophobicContact CD1-CB 4.19Å; L396-L434 HydrophobicContact CD1-CD2 3.95Å; L396-L434 HydrophobicContact CD1-CG 3.76Å; L396-L434 HydrophobicContact CD2-CB 4.26Å; L396-L434 HydrophobicContact CD2-CD2 4Å; L396-L434 HydrophobicContact CD2-CG 4.37Å; L396-L434 HydrophobicContact CG-CD2 4.48Å; Q430-L434 PolarHBondContact O-N 3.41Å; V431-L434 PolarHBondContact O-N 3.41Å; L434-L437 HydrophobicContact CD1-CD2 4.48Å; L434-L437 WeakPolarHBondContact O-CB 3.48Å; L434-L437 PolarHBondContact O-N 3.13Å; L434-V438 HydrophobicContact CG-CG2 4.49Å; L434-V438 WeakPolarHBondContact O-CG2 3.47Å; L434-V438 PolarHBondContact O-N 3.25Å
435	R	86	Confident	77.6	Confident	36 Å²	36	28.1 Å²	28.1	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-39.7	178.8	-171.8	-173.5	156.2	145.3	3.6	111.8	L393 L396 L400 V431 L432 L437 V438 N439 D451	L393-R435 HydrophobicContact CD1-CG 4.01Å; L396-R435 HydrophobicContact CB-CB 4.15Å; L396-R435 HydrophobicContact CB-CG 4.23Å; L396-R435 HydrophobicContact CD1-CB 4.19Å; L400-R435 VanDerWaalsContact CD2-NH1 3.26Å; V431-R435 WeakPolarHBondContact O-CB 3.35Å; V431-R435 PolarHBondContact O-N 2.86Å; L432-R435 PolarHBondContact O-N 2.99Å; R435-L437 VanDerWaalsContact C-N 3.31Å; R435-L437 PolarHBondContact O-N 3.15Å; R435-V438 PolarHBondContact O-N 3.43Å; R435-N439 WeakPolarHBondContact O-CB 3.44Å; R435-N439 PolarHBondContact O-N 2.67Å; R435-N439 PolarHBondContact O-ND2 2.85Å; R435-D451 VanDerWaalsContact CD-OD2 3.31Å; R435-D451 WeakPolarHBondContact CD-OD2 3.39Å; R435-D451 VanDerWaalsContact CG-OD2 3.26Å; R435-D451 WeakPolarHBondContact CG-OD2 3.44Å; R435-D451 IonicContact NE-OD1 3.86Å; R435-D451 IonicContact NE-OD2 3.47Å; R435-D451 PolarHBondContact NE-OD2 2.66Å
436	A	87.4	Confident	78.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-44	173.9	0	0	0	0	0	111.1	L432 Y440 A448 D451 A452 I468	L432-A436 VanDerWaalsContact O-CB 3.22Å; L432-A436 WeakPolarHBondContact O-CB 3.43Å; L432-A436 PolarHBondContact O-N 2.9Å; A436-Y440 WeakPolarHBondContact O-CB 3.33Å; A436-Y440 PolarHBondContact O-N 3.44Å; A436-A448 WeakPolarHBondContact O-CB 3.34Å; A436-D451 HydrophobicContact CB-CB 3.77Å; A436-A452 HydrophobicContact CB-CB 4.06Å; A436-I468 HydrophobicContact CB-CD1 4.17Å; A436-I468 HydrophobicContact CB-CG2 3.97Å
437	L	80.1	Confident	79.8	Confident	41 Å²	41	24 Å²	24	22%	0.215	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-48	176.6	-178.8	64.8	0	0	0	111.8	Q433 L434 R435 N439 Y440 R441 I468	Q433-L437 PolarHBondContact O-N 2.8Å; L434-L437 HydrophobicContact CD1-CD2 4.48Å; L434-L437 WeakPolarHBondContact O-CB 3.48Å; L434-L437 PolarHBondContact O-N 3.13Å; R435-L437 VanDerWaalsContact C-N 3.31Å; R435-L437 PolarHBondContact O-N 3.15Å; L437-N439 PolarHBondContact O-N 3.42Å; L437-Y440 WeakPolarHBondContact O-CB 3.33Å; L437-Y440 PolarHBondContact O-N 3.35Å; L437-R441 WeakPolarHBondContact O-CG 3.48Å; L437-R441 PolarHBondContact O-N 2.75Å; L437-I468 HydrophobicContact CB-CD1 3.83Å; L437-I468 HydrophobicContact CD1-CD1 4.37Å; L437-I468 HydrophobicContact CD1-CG1 4.46Å
438	V	78.3	Confident	81	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-44.3	179.9	171.4	0	0	0	0	111	A384 Y389 A392 L393 L396 L434 R435 Y440 R441 L442	A384-V438 HydrophobicContact CB-CG2 4.08Å; Y389-V438 HydrophobicContact CD1-CG1 4.38Å; Y389-V438 HydrophobicContact CD1-CG2 4.48Å; Y389-V438 VanDerWaalsContact O-CG1 3.26Å; Y389-V438 WeakPolarHBondContact O-CG1 3.13Å; A392-V438 HydrophobicContact CB-CG1 4.36Å; A392-V438 HydrophobicContact CB-CG2 4.09Å; L393-V438 HydrophobicContact CB-CG1 3.83Å; L396-V438 HydrophobicContact CD1-CG2 4.06Å; L434-V438 HydrophobicContact CG-CG2 4.49Å; L434-V438 WeakPolarHBondContact O-CG2 3.47Å; L434-V438 PolarHBondContact O-N 3.25Å; R435-V438 PolarHBondContact O-N 3.43Å; V438-Y440 VanDerWaalsContact C-N 3.32Å; V438-Y440 PolarHBondContact O-N 2.94Å; V438-R441 PolarHBondContact O-N 2.77Å; V438-L442 HydrophobicContact CG1-CD1 4.09Å; V438-L442 WeakPolarHBondContact O-CG 3.37Å; V438-L442 PolarHBondContact O-N 2.71Å
439	N	86.5	Confident	81.9	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.7	-82.4	-45	0	0	0	112.1	L393 R435 L437 L442 G443 N444 Q447 A448 D451	L393-N439 WeakPolarHBondContact CD1-OD1 3.32Å; R435-N439 WeakPolarHBondContact O-CB 3.44Å; R435-N439 PolarHBondContact O-N 2.67Å; R435-N439 PolarHBondContact O-ND2 2.85Å; L437-N439 PolarHBondContact O-N 3.42Å; N439-L442 PolarHBondContact O-N 2.9Å; N439-G443 PolarHBondContact O-N 3.27Å; N439-N444 HydrophobicContact CB-CB 4.22Å; N439-N444 WeakPolarHBondContact O-CA 3.24Å; N439-N444 WeakPolarHBondContact O-CB 3.45Å; N439-N444 PolarHBondContact O-N 3.18Å; N439-Q447 HydrophobicContact CB-CB 4.47Å; N439-Q447 VanDerWaalsContact ND2-CG 3.33Å; N439-Q447 WeakPolarHBondContact ND2-CG 3.48Å; N439-A448 HydrophobicContact CB-CB 3.8Å; N439-D451 PolarHBondContact ND2-OD2 3.35Å
440	Y	83	Confident	82.7	Confident	5 Å²	5	26.5 Å²	26.5	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-47.4	174.9	177.4	-96.1	0	0	0	111.3	A436 L437 V438 L442 G443 I445 L471 D778	A436-Y440 WeakPolarHBondContact O-CB 3.33Å; A436-Y440 PolarHBondContact O-N 3.44Å; L437-Y440 WeakPolarHBondContact O-CB 3.33Å; L437-Y440 PolarHBondContact O-N 3.35Å; V438-Y440 VanDerWaalsContact C-N 3.32Å; V438-Y440 PolarHBondContact O-N 2.94Å; Y440-L442 VanDerWaalsContact C-N 3.29Å; Y440-L442 PolarHBondContact O-N 2.95Å; Y440-G443 PolarHBondContact O-N 2.81Å; Y440-I445 HydrophobicContact CD2-CD1 3.6Å; Y440-I445 HydrophobicContact CE2-CD1 3.83Å; Y440-L471 HydrophobicContact CD2-CB 4.27Å; Y440-L471 HydrophobicContact CE1-CD1 3.92Å; Y440-L471 HydrophobicContact CE2-CB 3.59Å; Y440-L471 HydrophobicContact CE2-CD1 4.27Å; Y440-L471 HydrophobicContact CE2-CG 4.45Å; Y440-D778 VanDerWaalsContact CE1-OD2 3.28Å; Y440-D778 WeakPolarHBondContact CE1-OD2 3.49Å; Y440-D778 PolarHBondContact OH-OD1 3.48Å; Y440-D778 PolarHBondContact OH-OD2 3.27Å
441	R	73.8	Confident	83.7	Confident	43 Å²	43	24.6 Å²	24.6	16%	0.162	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-30.5	179.1	-65.2	-58.8	-69.7	-121.9	2.3	113.8	Y389 L437 V438 G443 E781	Y389-R441 HydrophobicContact CD1-CB 4.04Å; Y389-R441 HydrophobicContact CD2-CB 4.35Å; Y389-R441 HydrophobicContact CE1-CB 3.8Å; Y389-R441 HydrophobicContact CE1-CG 3.87Å; Y389-R441 HydrophobicContact CE2-CB 4.12Å; Y389-R441 HydrophobicContact CG-CB 4.32Å; L437-R441 WeakPolarHBondContact O-CG 3.48Å; L437-R441 PolarHBondContact O-N 2.75Å; V438-R441 PolarHBondContact O-N 2.77Å; R441-G443 PolarHBondContact O-N 3.15Å; R441-E781 IonicContact CZ-OE1 3.09Å; R441-E781 IonicContact NE-OE1 3.97Å; R441-E781 IonicContact NH2-OE1 2.97Å; R441-E781 PolarHBondContact NH2-OE1 2.88Å
442	L	72.5	Confident	84.4	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.5	173.3	-70.7	171.9	0	0	0	113.4	Y389 Y390 L393 V438 N439 Y440 N444 S650	Y389-L442 HydrophobicContact CG-CD2 4.49Å; Y390-L442 HydrophobicContact CD1-CD1 4.32Å; Y390-L442 HydrophobicContact CD1-CD2 4.22Å; Y390-L442 HydrophobicContact CD2-CD2 4Å; Y390-L442 HydrophobicContact CE1-CD1 4.4Å; Y390-L442 HydrophobicContact CE1-CD2 3.97Å; Y390-L442 HydrophobicContact CE2-CD2 3.72Å; Y390-L442 HydrophobicContact CG-CD2 4.24Å; L393-L442 HydrophobicContact CB-CD1 4.27Å; L393-L442 HydrophobicContact CD2-CD1 3.68Å; V438-L442 HydrophobicContact CG1-CD1 4.09Å; V438-L442 WeakPolarHBondContact O-CG 3.37Å; V438-L442 PolarHBondContact O-N 2.71Å; N439-L442 PolarHBondContact O-N 2.9Å; Y440-L442 VanDerWaalsContact C-N 3.29Å; Y440-L442 PolarHBondContact O-N 2.95Å; L442-N444 VanDerWaalsContact C-N 3.28Å; L442-S650 PolarHBondContact O-N 2.99Å
443	G	75.9	Confident	84.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	5.4	-173.7	0	0	0	0	0	114.2	N439 Y440 R441 I445 N649 L1172	N439-G443 PolarHBondContact O-N 3.27Å; Y440-G443 PolarHBondContact O-N 2.81Å; R441-G443 PolarHBondContact O-N 3.15Å; G443-I445 PolarHBondContact O-N 3.42Å; G443-N649 WeakPolarHBondContact CA-OD1 3.14Å; G443-L1172 VanDerWaalsContact O-CD2 3.3Å; G443-L1172 WeakPolarHBondContact O-CD2 3.09Å
444	N	84.3	Confident	85.2	Confident	67 Å²	67	30.6 Å²	30.6	36%	0.358	16%	0.155	S	C	.	.			trans	-81.4	61.9	178.5	-68.8	-22.1	0	0	0	111.4	N439 L442 I446 Q447 A448	N439-N444 HydrophobicContact CB-CB 4.22Å; N439-N444 WeakPolarHBondContact O-CA 3.24Å; N439-N444 WeakPolarHBondContact O-CB 3.45Å; N439-N444 PolarHBondContact O-N 3.18Å; L442-N444 VanDerWaalsContact C-N 3.28Å; N444-I446 VanDerWaalsContact C-N 3.3Å; N444-I446 PolarHBondContact O-N 2.8Å; N444-Q447 PolarHBondContact O-N 3.09Å; N444-A448 WeakPolarHBondContact O-CB 3.39Å; N444-A448 PolarHBondContact O-N 3.46Å
445	I	86	Confident	85.7	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-36.4	-170.6	-55	-56.8	0	0	0	113.1	Y440 G443 A448 N449 C472 T476 L1172	Y440-I445 HydrophobicContact CD2-CD1 3.6Å; Y440-I445 HydrophobicContact CE2-CD1 3.83Å; G443-I445 PolarHBondContact O-N 3.42Å; I445-A448 PolarHBondContact O-N 2.93Å; I445-N449 WeakPolarHBondContact O-CB 3.5Å; I445-N449 PolarHBondContact O-N 3.39Å; I445-C472 HydrophobicContact CG2-CB 3.72Å; I445-T476 HydrophobicContact CG2-CG2 3.85Å; I445-L1172 HydrophobicContact CB-CD1 3.98Å; I445-L1172 HydrophobicContact CB-CD2 4.12Å; I445-L1172 HydrophobicContact CG1-CD1 4.21Å; I445-L1172 HydrophobicContact CG1-CD2 4.13Å
446	I	87.3	Confident	85.7	Confident	60 Å²	60	28.9 Å²	28.9	31%	0.308	15%	0.148	S	C	.	.	H	α-helix	trans	-62.6	-50.8	179.1	-60	175.7	0	0	0	110	N444 N449 T450 P571 L1172	N444-I446 VanDerWaalsContact C-N 3.3Å; N444-I446 PolarHBondContact O-N 2.8Å; I446-N449 PolarHBondContact O-N 3.17Å; I446-T450 WeakPolarHBondContact O-CG2 3.49Å; I446-T450 PolarHBondContact O-N 2.65Å; I446-T450 VanDerWaalsContact O-N 3.08Å; I446-P571 HydrophobicContact CD1-CB 4.15Å; I446-P571 HydrophobicContact CG1-CB 4.39Å; I446-L1172 HydrophobicContact CD1-CB 4.16Å; I446-L1172 HydrophobicContact CG1-CB 4.46Å
447	Q	89	Confident	85.8	Confident	74 Å²	74	35.2 Å²	35.2	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-40	179.5	-171.7	63.1	43.5	0	0	111.6	N439 N444 N449 T450 D451	N439-Q447 HydrophobicContact CB-CB 4.47Å; N439-Q447 VanDerWaalsContact ND2-CG 3.33Å; N439-Q447 WeakPolarHBondContact ND2-CG 3.48Å; N444-Q447 PolarHBondContact O-N 3.09Å; Q447-N449 VanDerWaalsContact C-N 3.3Å; Q447-N449 PolarHBondContact O-N 2.92Å; Q447-T450 WeakPolarHBondContact CA-OG1 3.46Å; Q447-T450 PolarHBondContact NE2-OG1 2.87Å; Q447-T450 PolarHBondContact O-N 3.43Å; Q447-T450 PolarHBondContact O-OG1 3.22Å; Q447-D451 PolarHBondContact NE2-OD1 3.01Å; Q447-D451 WeakPolarHBondContact O-CB 3.25Å; Q447-D451 VanDerWaalsContact O-CG 3.25Å; Q447-D451 PolarHBondContact O-N 3.07Å
448	A	89.4	Confident	85.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-42.9	175.3	0	0	0	0	0	111.9	A436 N439 N444 I445 D451 A452 C472	A436-A448 WeakPolarHBondContact O-CB 3.34Å; N439-A448 HydrophobicContact CB-CB 3.8Å; N444-A448 WeakPolarHBondContact O-CB 3.39Å; N444-A448 PolarHBondContact O-N 3.46Å; I445-A448 PolarHBondContact O-N 2.93Å; A448-D451 PolarHBondContact O-N 3.32Å; A448-A452 VanDerWaalsContact O-CB 3.24Å; A448-A452 WeakPolarHBondContact O-CB 3.22Å; A448-A452 PolarHBondContact O-N 3.15Å; A448-C472 VanDerWaalsContact CB-SG 3.59Å
449	N	91.7	Very high	86	Confident	60 Å²	60	38.5 Å²	38.5	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-41.8	176.2	-171.9	33.1	0	0	0	112.1	I445 I446 Q447 A452 K453 C472	I445-N449 WeakPolarHBondContact O-CB 3.5Å; I445-N449 PolarHBondContact O-N 3.39Å; I446-N449 PolarHBondContact O-N 3.17Å; Q447-N449 VanDerWaalsContact C-N 3.3Å; Q447-N449 PolarHBondContact O-N 2.92Å; N449-A452 PolarHBondContact O-N 3.08Å; N449-K453 WeakPolarHBondContact O-CB 3.46Å; N449-K453 PolarHBondContact O-N 2.98Å; N449-C472 HydrophobicContact CB-CB 3.88Å
450	T	92.2	Very high	85.8	Confident	59 Å²	59	42.3 Å²	42.3	36%	0.362	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-41.6	177	54.8	0	0	0	0	112.4	I446 Q447 K453 S454	I446-T450 WeakPolarHBondContact O-CG2 3.49Å; I446-T450 PolarHBondContact O-N 2.65Å; I446-T450 VanDerWaalsContact O-N 3.08Å; Q447-T450 WeakPolarHBondContact CA-OG1 3.46Å; Q447-T450 PolarHBondContact NE2-OG1 2.87Å; Q447-T450 PolarHBondContact O-N 3.43Å; Q447-T450 PolarHBondContact O-OG1 3.22Å; T450-K453 PolarHBondContact O-N 3.2Å; T450-S454 WeakPolarHBondContact O-CB 3.47Å; T450-S454 PolarHBondContact O-N 3.33Å; T450-S454 PolarHBondContact O-OG 3.47Å
451	D	91.7	Very high	85.6	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-42.4	179.1	-66.2	-17	0	0	0	110.2	L432 R435 A436 N439 Q447 A448 S454 C455	L432-D451 HydrophobicContact CD2-CB 4.32Å; R435-D451 VanDerWaalsContact CD-OD2 3.31Å; R435-D451 WeakPolarHBondContact CD-OD2 3.39Å; R435-D451 VanDerWaalsContact CG-OD2 3.26Å; R435-D451 WeakPolarHBondContact CG-OD2 3.44Å; R435-D451 IonicContact NE-OD1 3.86Å; R435-D451 IonicContact NE-OD2 3.47Å; R435-D451 PolarHBondContact NE-OD2 2.66Å; A436-D451 HydrophobicContact CB-CB 3.77Å; N439-D451 PolarHBondContact ND2-OD2 3.35Å; Q447-D451 PolarHBondContact NE2-OD1 3.01Å; Q447-D451 WeakPolarHBondContact O-CB 3.25Å; Q447-D451 VanDerWaalsContact O-CG 3.25Å; Q447-D451 PolarHBondContact O-N 3.07Å; A448-D451 PolarHBondContact O-N 3.32Å; D451-S454 PolarHBondContact O-N 2.91Å; D451-C455 WeakPolarHBondContact O-CB 3.48Å; D451-C455 PolarHBondContact O-N 3.35Å
452	A	90.9	Very high	85.8	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-38	176.9	0	0	0	0	0	112.7	A436 A448 N449 C455 L456 I468 K469	A436-A452 HydrophobicContact CB-CB 4.06Å; A448-A452 VanDerWaalsContact O-CB 3.24Å; A448-A452 WeakPolarHBondContact O-CB 3.22Å; A448-A452 PolarHBondContact O-N 3.15Å; N449-A452 PolarHBondContact O-N 3.08Å; A452-C455 WeakPolarHBondContact O-CB 3.44Å; A452-C455 PolarHBondContact O-N 3.45Å; A452-L456 WeakPolarHBondContact O-CG 3.26Å; A452-L456 PolarHBondContact O-N 3.31Å; A452-I468 HydrophobicContact CB-CB 4.41Å; A452-I468 HydrophobicContact CB-CG2 4.2Å; A452-K469 HydrophobicContact CB-CB 3.88Å
453	K	93	Very high	86	Confident	113 Å²	113	44.5 Å²	44.5	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-48.5	173.5	-175.3	-172.3	174.9	-165.7	0	110.9	N449 T450 C455 L456 E457	N449-K453 WeakPolarHBondContact O-CB 3.46Å; N449-K453 PolarHBondContact O-N 2.98Å; T450-K453 PolarHBondContact O-N 3.2Å; K453-C455 VanDerWaalsContact C-N 3.26Å; K453-C455 PolarHBondContact O-N 3Å; K453-L456 PolarHBondContact O-N 2.92Å; K453-L456 VanDerWaalsContact O-N 3.14Å; K453-E457 VanDerWaalsContact CE-OE1 3.27Å; K453-E457 WeakPolarHBondContact CE-OE1 3.31Å; K453-E457 IonicContact NZ-OE1 2.58Å; K453-E457 WeakPolarHBondContact O-CG 3.33Å; K453-E457 PolarHBondContact O-N 3Å
454	S	91.6	Very high	86.1	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-62	-36.8	177.6	-52.6	0	0	0	0	111.5	T450 D451 E457 L458	T450-S454 WeakPolarHBondContact O-CB 3.47Å; T450-S454 PolarHBondContact O-N 3.33Å; T450-S454 PolarHBondContact O-OG 3.47Å; D451-S454 PolarHBondContact O-N 2.91Å; S454-E457 PolarHBondContact O-N 3.23Å; S454-L458 PolarHBondContact O-N 2.87Å
455	C	88.5	Confident	86.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-43.7	173.5	176.5	0	0	0	0	112.5	H429 L432 D451 A452 K453 E457 L458 S459 C465	H429-C455 PolarHBondContact CE1-SG 3.08Å; H429-C455 PolarHBondContact ND1-O 3.4Å; H429-C455 PolarHBondContact ND1-SG 3.49Å; L432-C455 HydrophobicContact CB-CB 4.02Å; D451-C455 WeakPolarHBondContact O-CB 3.48Å; D451-C455 PolarHBondContact O-N 3.35Å; A452-C455 WeakPolarHBondContact O-CB 3.44Å; A452-C455 PolarHBondContact O-N 3.45Å; K453-C455 VanDerWaalsContact C-N 3.26Å; K453-C455 PolarHBondContact O-N 3Å; C455-E457 VanDerWaalsContact C-N 3.34Å; C455-L458 WeakPolarHBondContact O-CB 3.42Å; C455-L458 PolarHBondContact O-N 3.23Å; C455-S459 PolarHBondContact O-N 3.25Å; C455-C465 HydrophobicContact CB-CB 3.75Å; C455-C465 WeakPolarHBondContact CB-SG 3.35Å; C455-C465 WeakPolarHBondContact SG-CB 3.13Å; C455-C465 CovalentContact SG-SG 2.02Å; C455-C465 PolarHBondContact SG-SG 3.39Å
456	L	87.7	Confident	86.1	Confident	23 Å²	23	42.4 Å²	42.4	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-72.1	-25.3	178.4	-72.6	170.1	0	0	0	113.5	A452 K453 S459 S460 C465 A466 K469	A452-L456 WeakPolarHBondContact O-CG 3.26Å; A452-L456 PolarHBondContact O-N 3.31Å; K453-L456 PolarHBondContact O-N 2.92Å; K453-L456 VanDerWaalsContact O-N 3.14Å; L456-S459 WeakPolarHBondContact CA-O 3.38Å; L456-S459 CarbonylContact O-C 3.42Å; L456-S459 VanDerWaalsContact O-C 3.26Å; L456-S460 WeakPolarHBondContact O-CA 3.24Å; L456-S460 PolarHBondContact O-N 3.33Å; L456-S460 VanDerWaalsContact O-N 3.15Å; L456-C465 HydrophobicContact CD2-CB 3.98Å; L456-C465 HydrophobicContact CG-CB 3.94Å; L456-A466 HydrophobicContact CD2-CB 4.18Å; L456-K469 HydrophobicContact CD1-CB 4.25Å; L456-K469 HydrophobicContact CD1-CD 3.46Å; L456-K469 VanDerWaalsContact CD1-CD 3.46Å
457	E	89.2	Confident	86	Confident	133 Å²	133	39.9 Å²	39.9	62%	0.621	22%	0.219	S	C	*	.	H	α-helix	trans	-66.5	-30.2	170.8	-73.1	170.3	-172	0	0	111.5	K453 S454 C455	K453-E457 VanDerWaalsContact CE-OE1 3.27Å; K453-E457 WeakPolarHBondContact CE-OE1 3.31Å; K453-E457 IonicContact NZ-OE1 2.58Å; K453-E457 WeakPolarHBondContact O-CG 3.33Å; K453-E457 PolarHBondContact O-N 3Å; S454-E457 PolarHBondContact O-N 3.23Å; C455-E457 VanDerWaalsContact C-N 3.34Å
458	L	82	Confident	85.8	Confident	67 Å²	67	36.3 Å²	36.3	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-81.1	-40.8	173.3	-61.8	173.1	0	0	0	112.4	K425 K428 H429 L432 S454 C455	K425-L458 HydrophobicContact CB-CD2 4.47Å; K428-L458 HydrophobicContact CB-CD1 4.01Å; K428-L458 HydrophobicContact CD-CD1 4.22Å; K428-L458 HydrophobicContact CG-CD1 3.87Å; H429-L458 HydrophobicContact CB-CB 4.27Å; H429-L458 HydrophobicContact CB-CD1 3.98Å; L432-L458 HydrophobicContact CD1-CD1 3.86Å; S454-L458 PolarHBondContact O-N 2.87Å; C455-L458 WeakPolarHBondContact O-CB 3.42Å; C455-L458 PolarHBondContact O-N 3.23Å
459	S	81	Confident	85.8	Confident	44 Å²	44	38.7 Å²	38.7	31%	0.308	21%	0.213	S	C	.	.			trans	-139	97.3	178.7	-176.6	0	0	0	0	110.7	H429 C455 L456 L461 D462	H429-S459 VanDerWaalsContact CE1-CB 3.42Å; H429-S459 WeakPolarHBondContact CE1-CB 3.28Å; C455-S459 PolarHBondContact O-N 3.25Å; L456-S459 WeakPolarHBondContact CA-O 3.38Å; L456-S459 CarbonylContact O-C 3.42Å; L456-S459 VanDerWaalsContact O-C 3.26Å; S459-L461 PolarHBondContact O-N 2.81Å; S459-D462 PolarHBondContact O-N 2.8Å
460	S	80.6	Confident	85.6	Confident	84 Å²	84	35.9 Å²	35.9	59%	0.587	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.8	-172.6	58.1	0	0	0	0	114.9	L456	L456-S460 WeakPolarHBondContact O-CA 3.24Å; L456-S460 PolarHBondContact O-N 3.33Å; L456-S460 VanDerWaalsContact O-N 3.15Å
461	L	79.6	Confident	85.3	Confident	55 Å²	55	33.2 Å²	33.2	29%	0.288	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	14.2	-178.9	-64.3	175.6	0	0	0	112.9	S459 G463 Y492 F494	S459-L461 PolarHBondContact O-N 2.81Å; L461-G463 PolarHBondContact O-N 3.49Å; L461-Y492 HydrophobicContact CD1-CD1 4.12Å; L461-Y492 HydrophobicContact CD1-CD2 3.71Å; L461-Y492 HydrophobicContact CD1-CE1 4.02Å; L461-Y492 HydrophobicContact CD1-CE2 3.61Å; L461-Y492 HydrophobicContact CD1-CG 3.96Å; L461-Y492 HydrophobicContact CD2-CD2 4Å; L461-Y492 HydrophobicContact CD2-CG 3.99Å; L461-F494 HydrophobicContact CB-CZ 4.42Å
462	D	78.3	Confident	85.2	Confident	27 Å²	27	33 Å²	33	14%	0.144	18%	0.18	C	C	.	.			trans	-69.3	113.3	176	-171.6	-93.9	0	0	0	111.2	H429 Q433 S459 L464 C465 A466	H429-D462 IonicContact CE1-OD2 2.66Å; H429-D462 IonicContact NE2-OD2 3.05Å; H429-D462 PolarHBondContact NE2-OD2 3.02Å; Q433-D462 VanDerWaalsContact NE2-CG 3.25Å; Q433-D462 PolarHBondContact NE2-OD1 3.1Å; Q433-D462 PolarHBondContact NE2-OD2 3.1Å; S459-D462 PolarHBondContact O-N 2.8Å; D462-L464 VanDerWaalsContact C-N 3.34Å; D462-L464 PolarHBondContact O-N 2.94Å; D462-L464 PolarHBondContact OD1-N 3.17Å; D462-C465 HydrophobicContact CB-CB 4.23Å; D462-C465 WeakPolarHBondContact OD1-CB 3.29Å; D462-C465 PolarHBondContact OD1-N 2.76Å; D462-C465 PolarHBondContact OD1-SG 3.5Å; D462-A466 VanDerWaalsContact O-CB 3.3Å; D462-A466 WeakPolarHBondContact O-CB 3.37Å; D462-A466 PolarHBondContact O-N 3.2Å
463	G	77.1	Confident	85	Confident	14 Å²	14	33.3 Å²	33.3	14%	0.144	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-37.1	-176.1	0	0	0	0	0	113.4	L461 Y467	L461-G463 PolarHBondContact O-N 3.49Å; G463-Y467 VanDerWaalsContact O-CB 3.24Å; G463-Y467 WeakPolarHBondContact O-CB 3.41Å; G463-Y467 PolarHBondContact O-N 3.05Å
464	L	77.3	Confident	84.5	Confident	25 Å²	25	28.3 Å²	28.3	13%	0.131	16%	0.162	C	C	.	.	H	α-helix	trans	-74.8	-43.8	-177.4	179.3	60.2	0	0	0	111.9	F80 Q433 D462 A466 Y467 I468	F80-L464 HydrophobicContact CD1-CD1 4.15Å; F80-L464 HydrophobicContact CE1-CD1 3.72Å; Q433-L464 HydrophobicContact CG-CB 4.38Å; Q433-L464 HydrophobicContact CG-CD2 3.61Å; Q433-L464 HydrophobicContact CG-CG 4.03Å; D462-L464 VanDerWaalsContact C-N 3.34Å; D462-L464 PolarHBondContact O-N 2.94Å; D462-L464 PolarHBondContact OD1-N 3.17Å; L464-A466 VanDerWaalsContact C-N 3.34Å; L464-Y467 WeakPolarHBondContact O-CB 3.34Å; L464-Y467 PolarHBondContact O-N 2.86Å; L464-I468 HydrophobicContact CD1-CD1 4.06Å; L464-I468 HydrophobicContact CD1-CG1 4.3Å; L464-I468 HydrophobicContact CG-CD1 3.95Å; L464-I468 VanDerWaalsContact O-CG1 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.39Å; L464-I468 PolarHBondContact O-N 2.96Å
465	C	84.6	Confident	84.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-37.2	175.5	-72.3	0	0	0	0	111.7	Q433 C455 L456 D462 Y467 K469	Q433-C465 VanDerWaalsContact CB-SG 3.59Å; Q433-C465 VanDerWaalsContact CG-SG 3.6Å; C455-C465 HydrophobicContact CB-CB 3.75Å; C455-C465 WeakPolarHBondContact CB-SG 3.35Å; C455-C465 WeakPolarHBondContact SG-CB 3.13Å; C455-C465 CovalentContact SG-SG 2.02Å; C455-C465 PolarHBondContact SG-SG 3.39Å; L456-C465 HydrophobicContact CD2-CB 3.98Å; L456-C465 HydrophobicContact CG-CB 3.94Å; D462-C465 HydrophobicContact CB-CB 4.23Å; D462-C465 WeakPolarHBondContact OD1-CB 3.29Å; D462-C465 PolarHBondContact OD1-N 2.76Å; D462-C465 PolarHBondContact OD1-SG 3.5Å; C465-Y467 VanDerWaalsContact C-N 3.34Å; C465-K469 VanDerWaalsContact O-CB 3.27Å; C465-K469 WeakPolarHBondContact O-CB 3.38Å; C465-K469 PolarHBondContact O-N 3.39Å
466	A	85.5	Confident	83.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-43.3	170.3	0	0	0	0	0	111.3	L456 D462 L464 T470 V489	L456-A466 HydrophobicContact CD2-CB 4.18Å; D462-A466 VanDerWaalsContact O-CB 3.3Å; D462-A466 WeakPolarHBondContact O-CB 3.37Å; D462-A466 PolarHBondContact O-N 3.2Å; L464-A466 VanDerWaalsContact C-N 3.34Å; A466-T470 VanDerWaalsContact O-CB 3.27Å; A466-T470 WeakPolarHBondContact O-CB 3.35Å; A466-T470 PolarHBondContact O-N 3.36Å; A466-T470 PolarHBondContact O-OG1 2.95Å; A466-V489 HydrophobicContact CB-CB 4.46Å; A466-V489 HydrophobicContact CB-CG2 3.59Å
467	Y	84.4	Confident	83.3	Confident	6 Å²	6	26.3 Å²	26.3	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-51.9	176.7	-178.6	-107.7	0	0	0	112.3	F80 G463 L464 C465 K469 T470 L471 H506 L507 L510 Y780	F80-Y467 HydrophobicContact CE1-CD1 4.05Å; F80-Y467 AromaticContact CE1-CE1 3.95Å; F80-Y467 HydrophobicContact CE1-CE1 3.95Å; F80-Y467 HydrophobicContact CE2-CE1 4.26Å; F80-Y467 AromaticContact CZ-CD1 3.89Å; F80-Y467 HydrophobicContact CZ-CD1 3.89Å; F80-Y467 AromaticContact CZ-CE1 3.42Å; F80-Y467 HydrophobicContact CZ-CE1 3.42Å; F80-Y467 VanDerWaalsContact CZ-CE1 3.42Å; F80-Y467 AromaticContact CZ-CZ 3.99Å; G463-Y467 VanDerWaalsContact O-CB 3.24Å; G463-Y467 WeakPolarHBondContact O-CB 3.41Å; G463-Y467 PolarHBondContact O-N 3.05Å; L464-Y467 WeakPolarHBondContact O-CB 3.34Å; L464-Y467 PolarHBondContact O-N 2.86Å; C465-Y467 VanDerWaalsContact C-N 3.34Å; Y467-K469 PolarHBondContact O-N 3.25Å; Y467-T470 WeakPolarHBondContact O-CB 3.47Å; Y467-T470 PolarHBondContact O-N 3.38Å; Y467-T470 VanDerWaalsContact O-N 3.11Å; Y467-L471 HydrophobicContact CD1-CD1 3.83Å; Y467-L471 HydrophobicContact CE1-CD1 3.33Å; Y467-L471 HydrophobicContact CE1-CG 4.17Å; Y467-L471 HydrophobicContact CE2-CD1 4.43Å; Y467-L471 HydrophobicContact CE2-CG 4.45Å; Y467-L471 PolarHBondContact O-N 3.29Å; Y467-H506 HydrophobicContact CD2-CB 4.06Å; Y467-H506 HydrophobicContact CE2-CB 3.58Å; Y467-L507 HydrophobicContact CD2-CD2 3.99Å; Y467-L507 HydrophobicContact CD2-CG 4.16Å; Y467-L510 HydrophobicContact CD2-CD1 3.77Å; Y467-L510 HydrophobicContact CE2-CB 4.38Å; Y467-L510 HydrophobicContact CE2-CD1 3.32Å; Y467-L510 HydrophobicContact CE2-CG 4.47Å; Y467-Y780 WeakPolarHBondContact OH-CD2 3.42Å
468	I	84.7	Confident	83	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-44.4	179.5	-63.7	159.6	0	0	0	111	A436 L437 A452 L464 T470 L471 C472	A436-I468 HydrophobicContact CB-CD1 4.17Å; A436-I468 HydrophobicContact CB-CG2 3.97Å; L437-I468 HydrophobicContact CB-CD1 3.83Å; L437-I468 HydrophobicContact CD1-CD1 4.37Å; L437-I468 HydrophobicContact CD1-CG1 4.46Å; A452-I468 HydrophobicContact CB-CB 4.41Å; A452-I468 HydrophobicContact CB-CG2 4.2Å; L464-I468 HydrophobicContact CD1-CD1 4.06Å; L464-I468 HydrophobicContact CD1-CG1 4.3Å; L464-I468 HydrophobicContact CG-CD1 3.95Å; L464-I468 VanDerWaalsContact O-CG1 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.39Å; L464-I468 PolarHBondContact O-N 2.96Å; I468-T470 VanDerWaalsContact C-N 3.26Å; I468-T470 PolarHBondContact O-N 3.34Å; I468-L471 PolarHBondContact O-N 2.92Å; I468-C472 PolarHBondContact O-N 3.36Å; I468-C472 PolarHBondContact O-SG 2.99Å
469	K	90.5	Very high	83	Confident	50 Å²	50	18.2 Å²	18.2	22%	0.217	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-40.4	175.7	-175.7	176.5	174.8	-170.1	0	111.6	A452 L456 C465 Y467 C472 A473 S485	A452-K469 HydrophobicContact CB-CB 3.88Å; L456-K469 HydrophobicContact CD1-CB 4.25Å; L456-K469 HydrophobicContact CD1-CD 3.46Å; L456-K469 VanDerWaalsContact CD1-CD 3.46Å; C465-K469 VanDerWaalsContact O-CB 3.27Å; C465-K469 WeakPolarHBondContact O-CB 3.38Å; C465-K469 PolarHBondContact O-N 3.39Å; Y467-K469 PolarHBondContact O-N 3.25Å; K469-C472 PolarHBondContact O-N 3.05Å; K469-A473 PolarHBondContact O-N 3.45Å; K469-S485 VanDerWaalsContact CE-OG 3.28Å; K469-S485 WeakPolarHBondContact CE-OG 3.38Å
470	T	87.7	Confident	83.1	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-43.8	178.7	-55.2	0	0	0	0	111.3	A466 Y467 I468 C472 A473 L474 A482 S486 L510 I514	A466-T470 VanDerWaalsContact O-CB 3.27Å; A466-T470 WeakPolarHBondContact O-CB 3.35Å; A466-T470 PolarHBondContact O-N 3.36Å; A466-T470 PolarHBondContact O-OG1 2.95Å; Y467-T470 WeakPolarHBondContact O-CB 3.47Å; Y467-T470 PolarHBondContact O-N 3.38Å; Y467-T470 VanDerWaalsContact O-N 3.11Å; I468-T470 VanDerWaalsContact C-N 3.26Å; I468-T470 PolarHBondContact O-N 3.34Å; T470-C472 PolarHBondContact O-N 3.05Å; T470-A473 PolarHBondContact O-N 2.98Å; T470-L474 WeakPolarHBondContact O-CB 3.21Å; T470-L474 PolarHBondContact O-N 3.27Å; T470-A482 HydrophobicContact CG2-CB 3.93Å; T470-A482 WeakPolarHBondContact CG2-O 3.33Å; T470-S486 PolarHBondContact OG1-N 3.32Å; T470-L510 HydrophobicContact CG2-CD1 4.49Å; T470-L510 HydrophobicContact CG2-CD2 3.29Å; T470-I514 HydrophobicContact CG2-CD1 3.75Å
471	L	86	Confident	83.2	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-57.9	-46.2	171.5	-76.1	172.3	0	0	0	111.5	Y440 Y467 I468 A473 L474 C475 L510	Y440-L471 HydrophobicContact CD2-CB 4.27Å; Y440-L471 HydrophobicContact CE1-CD1 3.92Å; Y440-L471 HydrophobicContact CE2-CB 3.59Å; Y440-L471 HydrophobicContact CE2-CD1 4.27Å; Y440-L471 HydrophobicContact CE2-CG 4.45Å; Y467-L471 HydrophobicContact CD1-CD1 3.83Å; Y467-L471 HydrophobicContact CE1-CD1 3.33Å; Y467-L471 HydrophobicContact CE1-CG 4.17Å; Y467-L471 HydrophobicContact CE2-CD1 4.43Å; Y467-L471 HydrophobicContact CE2-CG 4.45Å; Y467-L471 PolarHBondContact O-N 3.29Å; I468-L471 PolarHBondContact O-N 2.92Å; L471-A473 VanDerWaalsContact C-N 3.33Å; L471-A473 PolarHBondContact O-N 3.49Å; L471-L474 WeakPolarHBondContact O-CB 2.96Å; L471-L474 PolarHBondContact O-N 2.78Å; L471-C475 WeakPolarHBondContact O-CB 3.35Å; L471-C475 PolarHBondContact O-N 3.47Å; L471-C475 PolarHBondContact O-SG 3.05Å; L471-L510 HydrophobicContact CD2-CD1 3.37Å; L471-L510 HydrophobicContact CD2-CG 4.37Å; L471-L510 HydrophobicContact CG-CD1 3.6Å
472	C	88.2	Confident	83.4	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-60.1	-42.7	178.6	-65.6	0	0	0	0	112.4	I445 A448 N449 I468 K469 T470 T476	I445-C472 HydrophobicContact CG2-CB 3.72Å; A448-C472 VanDerWaalsContact CB-SG 3.59Å; N449-C472 HydrophobicContact CB-CB 3.88Å; I468-C472 PolarHBondContact O-N 3.36Å; I468-C472 PolarHBondContact O-SG 2.99Å; K469-C472 PolarHBondContact O-N 3.05Å; T470-C472 PolarHBondContact O-N 3.05Å; C472-T476 WeakPolarHBondContact O-CG2 3.46Å; C472-T476 PolarHBondContact O-N 3.04Å; C472-T476 VanDerWaalsContact O-N 3.14Å; C472-T476 PolarHBondContact O-OG1 3.39Å
473	A	87.7	Confident	83.6	Confident	7 Å²	7	15.8 Å²	15.8	6%	0.058	9%	0.089	C	C	.	.	H	α-helix	trans	-67.8	-37.3	176.5	0	0	0	0	0	112.4	K469 T470 L471 T476 G477 S478 N481 A482	K469-A473 PolarHBondContact O-N 3.45Å; T470-A473 PolarHBondContact O-N 2.98Å; L471-A473 VanDerWaalsContact C-N 3.33Å; L471-A473 PolarHBondContact O-N 3.49Å; A473-T476 WeakPolarHBondContact CA-OG1 3.37Å; A473-T476 PolarHBondContact O-N 2.85Å; A473-T476 PolarHBondContact O-OG1 2.99Å; A473-G477 PolarHBondContact O-N 3.03Å; A473-S478 CarbonylContact O-C 3.51Å; A473-S478 WeakPolarHBondContact O-CA 3.31Å; A473-S478 PolarHBondContact O-N 3.44Å; A473-N481 HydrophobicContact CB-CB 4.4Å; A473-A482 HydrophobicContact CB-CB 3.69Å
474	L	83.1	Confident	84	Confident	9 Å²	9	21.4 Å²	21.4	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-51.1	174.7	172.1	64.6	0	0	0	111.4	T470 L471 T476 G477 L479 A482 L510 I514 P779	T470-L474 WeakPolarHBondContact O-CB 3.21Å; T470-L474 PolarHBondContact O-N 3.27Å; L471-L474 WeakPolarHBondContact O-CB 2.96Å; L471-L474 PolarHBondContact O-N 2.78Å; L474-T476 PolarHBondContact O-N 3.04Å; L474-G477 PolarHBondContact O-N 2.97Å; L474-L479 HydrophobicContact CD1-CD2 3.6Å; L474-A482 HydrophobicContact CB-CB 4.43Å; L474-L510 HydrophobicContact CD2-CD2 4.09Å; L474-L510 HydrophobicContact CD2-CG 4.3Å; L474-I514 HydrophobicContact CD1-CG1 3.99Å; L474-P779 HydrophobicContact CD2-CG 3.84Å
475	C	81.5	Confident	84.2	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-26.5	178.9	-63.8	0	0	0	0	111.8	L471 G477 R651 T777	L471-C475 WeakPolarHBondContact O-CB 3.35Å; L471-C475 PolarHBondContact O-N 3.47Å; L471-C475 PolarHBondContact O-SG 3.05Å; C475-G477 VanDerWaalsContact C-N 3.32Å; C475-R651 VanDerWaalsContact C-NH1 3.29Å; C475-R651 VanDerWaalsContact CB-NH1 3.34Å; C475-R651 PolarHBondContact O-NH1 2.87Å; C475-R651 PolarHBondContact O-NH2 3.05Å; C475-T777 PolarHBondContact SG-O 3.25Å
476	T	81.9	Confident	84.2	Confident	19 Å²	19	20.9 Å²	20.9	12%	0.117	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.8	175.1	52.1	0	0	0	0	113.9	I445 C472 A473 L474 S478 P571 N1169 L1172	I445-T476 HydrophobicContact CG2-CG2 3.85Å; C472-T476 WeakPolarHBondContact O-CG2 3.46Å; C472-T476 PolarHBondContact O-N 3.04Å; C472-T476 VanDerWaalsContact O-N 3.14Å; C472-T476 PolarHBondContact O-OG1 3.39Å; A473-T476 WeakPolarHBondContact CA-OG1 3.37Å; A473-T476 PolarHBondContact O-N 2.85Å; A473-T476 PolarHBondContact O-OG1 2.99Å; L474-T476 PolarHBondContact O-N 3.04Å; T476-S478 PolarHBondContact O-N 3.13Å; T476-P571 HydrophobicContact CG2-CG 3.68Å; T476-N1169 WeakPolarHBondContact CA-OD1 3.42Å; T476-N1169 PolarHBondContact O-ND2 3.15Å; T476-L1172 HydrophobicContact CG2-CD1 4.25Å
477	G	78.9	Confident	84.1	Confident	7 Å²	7	24.1 Å²	24.1	7%	0.072	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	7.6	-176.5	0	0	0	0	0	114.3	A473 L474 C475 L479	A473-G477 PolarHBondContact O-N 3.03Å; L474-G477 PolarHBondContact O-N 2.97Å; C475-G477 VanDerWaalsContact C-N 3.32Å; G477-L479 PolarHBondContact O-N 2.88Å
478	S	83.3	Confident	84	Confident	25 Å²	25	26.6 Å²	26.6	18%	0.175	14%	0.144	C	C	.	.			trans	-83.7	61.5	178	-159.4	0	0	0	0	111.2	A473 T476 M480 N481 A482	A473-S478 CarbonylContact O-C 3.51Å; A473-S478 WeakPolarHBondContact O-CA 3.31Å; A473-S478 PolarHBondContact O-N 3.44Å; T476-S478 PolarHBondContact O-N 3.13Å; S478-M480 VanDerWaalsContact C-N 3.3Å; S478-M480 PolarHBondContact O-N 3.2Å; S478-N481 PolarHBondContact O-N 3.07Å; S478-N481 WeakPolarHBondContact OG-CB 3.29Å; S478-N481 PolarHBondContact OG-ND2 3.38Å; S478-A482 PolarHBondContact O-N 2.72Å
479	L	81.9	Confident	83.7	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-36.5	-168.6	-56.8	178.7	0	0	0	113.4	L474 G477 A482 M483 I514 H518 L521 I560	L474-L479 HydrophobicContact CD1-CD2 3.6Å; G477-L479 PolarHBondContact O-N 2.88Å; L479-A482 WeakPolarHBondContact O-CB 3.31Å; L479-A482 PolarHBondContact O-N 3.45Å; L479-M483 PolarHBondContact O-N 2.77Å; L479-I514 HydrophobicContact CB-CG2 3.81Å; L479-I514 HydrophobicContact CD2-CG2 4.08Å; L479-I514 HydrophobicContact CG-CG2 4.47Å; L479-I514 WeakPolarHBondContact O-CG2 3.19Å; L479-H518 HydrophobicContact CD1-CB 3.59Å; L479-L521 HydrophobicContact CD1-CD1 4.42Å; L479-I560 HydrophobicContact CB-CD1 4.46Å
480	M	81.3	Confident	83.2	Confident	48 Å²	48	26.4 Å²	26.4	24%	0.236	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-40.9	174.9	-175	60.2	69.7	0	0	112.2	S478 A482 M483 K484 I560	S478-M480 VanDerWaalsContact C-N 3.3Å; S478-M480 PolarHBondContact O-N 3.2Å; M480-A482 VanDerWaalsContact C-N 3.31Å; M480-M483 PolarHBondContact O-N 3.34Å; M480-K484 HydrophobicContact CG-CD 4.49Å; M480-K484 WeakPolarHBondContact O-CG 3.36Å; M480-K484 PolarHBondContact O-N 2.85Å; M480-I560 HydrophobicContact CE-CB 4.31Å; M480-I560 HydrophobicContact CE-CG2 3.56Å
481	N	83	Confident	82.7	Confident	82 Å²	82	30.4 Å²	30.4	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-71.5	-30	177.1	-70.8	-23.5	0	0	0	111.6	A473 S478 K484 S485	A473-N481 HydrophobicContact CB-CB 4.4Å; S478-N481 PolarHBondContact O-N 3.07Å; S478-N481 WeakPolarHBondContact OG-CB 3.29Å; S478-N481 PolarHBondContact OG-ND2 3.38Å; N481-K484 PolarHBondContact O-N 3.22Å; N481-S485 WeakPolarHBondContact O-CB 3.37Å; N481-S485 PolarHBondContact O-N 3.4Å; N481-S485 PolarHBondContact O-OG 2.71Å
482	A	84.7	Confident	82.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-54.6	170.5	0	0	0	0	0	110	T470 A473 L474 S478 L479 M480 K484 S485 S486 I514	T470-A482 HydrophobicContact CG2-CB 3.93Å; T470-A482 WeakPolarHBondContact CG2-O 3.33Å; A473-A482 HydrophobicContact CB-CB 3.69Å; L474-A482 HydrophobicContact CB-CB 4.43Å; S478-A482 PolarHBondContact O-N 2.72Å; L479-A482 WeakPolarHBondContact O-CB 3.31Å; L479-A482 PolarHBondContact O-N 3.45Å; M480-A482 VanDerWaalsContact C-N 3.31Å; A482-K484 VanDerWaalsContact C-N 3.33Å; A482-K484 PolarHBondContact O-N 3.38Å; A482-S485 WeakPolarHBondContact O-CB 3.08Å; A482-S485 PolarHBondContact O-N 3.01Å; A482-S486 PolarHBondContact O-N 3.39Å; A482-I514 HydrophobicContact CB-CD1 3.61Å; A482-I514 HydrophobicContact CB-CG1 4.09Å; A482-I514 HydrophobicContact CB-CG2 4.47Å
483	M	82.9	Confident	81.2	Confident	29 Å²	29	42.9 Å²	42.9	14%	0.143	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-45.6	176	-73.3	-60.9	-71.9	0	0	112.9	L479 M480 S485 S486 T487 R511 I514 I560	L479-M483 PolarHBondContact O-N 2.77Å; M480-M483 PolarHBondContact O-N 3.34Å; M483-S485 PolarHBondContact O-N 3.37Å; M483-S486 PolarHBondContact O-N 3.43Å; M483-S486 PolarHBondContact O-OG 2.85Å; M483-S486 VanDerWaalsContact O-OG 3.12Å; M483-T487 WeakPolarHBondContact O-CB 3.2Å; M483-T487 PolarHBondContact O-N 2.89Å; M483-T487 PolarHBondContact O-OG1 3.44Å; M483-R511 HydrophobicContact CE-CG 3.56Å; M483-R511 HydrophobicContact SD-CG 3.66Å; M483-I514 HydrophobicContact CG-CD1 4.46Å; M483-I514 HydrophobicContact CG-CG2 4Å; M483-I514 HydrophobicContact SD-CB 4.29Å; M483-I514 HydrophobicContact SD-CD1 4Å; M483-I514 HydrophobicContact SD-CG2 4.26Å; M483-I560 HydrophobicContact CB-CD1 4.39Å; M483-I560 HydrophobicContact CG-CD1 3.24Å; M483-I560 HydrophobicContact CG-CG1 4.28Å; M483-I560 HydrophobicContact SD-CD1 4.23Å
484	K	85	Confident	79.9	Confident	131 Å²	131	44 Å²	44	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-61.3	-29.3	178.3	-73.9	176.6	179.2	-179.9	0	113	M480 N481 A482 P488	M480-K484 HydrophobicContact CG-CD 4.49Å; M480-K484 WeakPolarHBondContact O-CG 3.36Å; M480-K484 PolarHBondContact O-N 2.85Å; N481-K484 PolarHBondContact O-N 3.22Å; A482-K484 VanDerWaalsContact C-N 3.33Å; A482-K484 PolarHBondContact O-N 3.38Å; K484-P488 VanDerWaalsContact O-CD 3.29Å; K484-P488 WeakPolarHBondContact O-CD 3.02Å
485	S	82.2	Confident	78.7	Confident	14 Å²	14	51.9 Å²	51.9	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-77.8	-33	-179.1	-60.2	0	0	0	0	112.7	K469 N481 A482 M483	K469-S485 VanDerWaalsContact CE-OG 3.28Å; K469-S485 WeakPolarHBondContact CE-OG 3.38Å; N481-S485 WeakPolarHBondContact O-CB 3.37Å; N481-S485 PolarHBondContact O-N 3.4Å; N481-S485 PolarHBondContact O-OG 2.71Å; A482-S485 WeakPolarHBondContact O-CB 3.08Å; A482-S485 PolarHBondContact O-N 3.01Å; M483-S485 PolarHBondContact O-N 3.37Å
486	S	82.8	Confident	77.4	Confident	1 Å²	1	59 Å²	59	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-85.3	-25.7	176.9	60.3	0	0	0	0	113.7	T470 A482 M483 V489 L490	T470-S486 PolarHBondContact OG1-N 3.32Å; A482-S486 PolarHBondContact O-N 3.39Å; M483-S486 PolarHBondContact O-N 3.43Å; M483-S486 PolarHBondContact O-OG 2.85Å; M483-S486 VanDerWaalsContact O-OG 3.12Å; S486-V489 PolarHBondContact O-N 2.94Å; S486-L490 WeakPolarHBondContact O-CG 3.39Å; S486-L490 PolarHBondContact O-N 3.29Å
487	T	84.4	Confident	76	Confident	69 Å²	69	64.9 Å²	64.9	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-55	-46.9	-173.6	-61.8	0	0	0	0	114.2	M483 V489 L490 S491	M483-T487 WeakPolarHBondContact O-CB 3.2Å; M483-T487 PolarHBondContact O-N 2.89Å; M483-T487 PolarHBondContact O-OG1 3.44Å; T487-V489 PolarHBondContact O-N 3.41Å; T487-L490 PolarHBondContact O-N 2.85Å; T487-S491 WeakPolarHBondContact O-CB 3.37Å; T487-S491 PolarHBondContact O-N 2.72Å; T487-S491 PolarHBondContact O-OG 2.88Å
488	P	82.1	Confident	74.9	Confident	58 Å²	58	69.1 Å²	69.1	38%	0.377	35%	0.354	S	S	.	.	H	α-helix	trans	-57.4	-47	-177.3	-25.5	34.9	0	0	0	112.6	K484 S491 Y492	K484-P488 VanDerWaalsContact O-CD 3.29Å; K484-P488 WeakPolarHBondContact O-CD 3.02Å; P488-S491 PolarHBondContact O-N 3.02Å; P488-S491 PolarHBondContact O-OG 2.86Å; P488-Y492 WeakPolarHBondContact O-CB 3.46Å; P488-Y492 PolarHBondContact O-N 2.96Å
489	V	78.8	Confident	73.6	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-47.7	177.9	179.2	0	0	0	0	110.6	A466 S486 T487 S491 Y492 F494 L507	A466-V489 HydrophobicContact CB-CB 4.46Å; A466-V489 HydrophobicContact CB-CG2 3.59Å; S486-V489 PolarHBondContact O-N 2.94Å; T487-V489 PolarHBondContact O-N 3.41Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 2.97Å; V489-Y492 PolarHBondContact O-N 2.83Å; V489-F494 HydrophobicContact CG1-CE2 3.86Å; V489-F494 HydrophobicContact CG1-CZ 4.07Å; V489-F494 VanDerWaalsContact O-CE2 3.26Å; V489-F494 WeakPolarHBondContact O-CE2 3.49Å; V489-L507 HydrophobicContact CB-CD1 4.16Å; V489-L507 HydrophobicContact CG1-CD1 3.75Å
490	L	78.8	Confident	72.6	Confident	43 Å²	43	76 Å²	76	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-68	-25.9	-178.6	-70.2	177.2	0	0	0	114	S486 T487 I504 L507 K508 R511	S486-L490 WeakPolarHBondContact O-CG 3.39Å; S486-L490 PolarHBondContact O-N 3.29Å; T487-L490 PolarHBondContact O-N 2.85Å; L490-I504 HydrophobicContact CD2-CG2 4.25Å; L490-L507 HydrophobicContact CD1-CB 4.34Å; L490-L507 HydrophobicContact CD2-CB 3.79Å; L490-L507 HydrophobicContact CG-CB 4.18Å; L490-K508 HydrophobicContact CD2-CG 3.94Å; L490-R511 HydrophobicContact CD1-CB 4.4Å
491	S	78.3	Confident	71.8	Confident	83 Å²	83	75 Å²	75	58%	0.58	38%	0.384	S	S	*	.	H	α-helix	trans	-84.5	-16.4	177.9	69.7	0	0	0	0	113.5	T487 P488 V489	T487-S491 WeakPolarHBondContact O-CB 3.37Å; T487-S491 PolarHBondContact O-N 2.72Å; T487-S491 PolarHBondContact O-OG 2.88Å; P488-S491 PolarHBondContact O-N 3.02Å; P488-S491 PolarHBondContact O-OG 2.86Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 2.97Å
492	Y	73.9	Confident	71	Confident	122 Å²	122	72.4 Å²	72.4	48%	0.478	37%	0.372	S	S	.	.	S	Bend	trans	-79.2	125.3	-176.3	-167.6	-95.6	0	0	0	110.5	L461 P488 V489 F494	L461-Y492 HydrophobicContact CD1-CD1 4.12Å; L461-Y492 HydrophobicContact CD1-CD2 3.71Å; L461-Y492 HydrophobicContact CD1-CE1 4.02Å; L461-Y492 HydrophobicContact CD1-CE2 3.61Å; L461-Y492 HydrophobicContact CD1-CG 3.96Å; L461-Y492 HydrophobicContact CD2-CD2 4Å; L461-Y492 HydrophobicContact CD2-CG 3.99Å; P488-Y492 WeakPolarHBondContact O-CB 3.46Å; P488-Y492 PolarHBondContact O-N 2.96Å; V489-Y492 PolarHBondContact O-N 2.83Å; Y492-F494 VanDerWaalsContact C-N 3.29Å; Y492-F494 AromaticContact CD1-CD1 3.51Å; Y492-F494 HydrophobicContact CD1-CD1 3.51Å; Y492-F494 HydrophobicContact CD1-CD2 4Å; Y492-F494 AromaticContact CD1-CE1 3.51Å; Y492-F494 HydrophobicContact CD1-CE1 3.51Å; Y492-F494 HydrophobicContact CD1-CE2 4.03Å; Y492-F494 AromaticContact CD1-CG 3.76Å; Y492-F494 HydrophobicContact CD1-CG 3.76Å; Y492-F494 AromaticContact CD1-CZ 3.78Å; Y492-F494 HydrophobicContact CD1-CZ 3.78Å; Y492-F494 AromaticContact CE1-CD1 3.84Å; Y492-F494 HydrophobicContact CE1-CD1 3.84Å; Y492-F494 AromaticContact CE1-CE1 3.98Å; Y492-F494 HydrophobicContact CE1-CE1 3.98Å; Y492-F494 HydrophobicContact CE1-CG 4.39Å; Y492-F494 HydrophobicContact CG-CE1 4.43Å; Y492-F494 HydrophobicContact CG-CE2 4.48Å; Y492-F494 HydrophobicContact CG-CZ 4.33Å; Y492-F494 WeakPolarHBondContact O-CD2 3.19Å; Y492-F494 PolarHBondContact O-N 3.33Å
493	N	68.4	Low	70.1	Confident	144 Å²	144	73.8 Å²	73.8	77%	0.77	38%	0.379	S	S	*	.			trans	-75.6	82.2	174.7	-83.8	-17.9	0	0	0	110.2
494	F	60.4	Low	69.7	Low	31 Å²	31	73.1 Å²	73.1	14%	0.136	38%	0.375	C	S	.	.			trans	-63.6	157.8	170.9	-66.9	-75.5	0	0	0	111.9	L461 V489 Y492 L498 Q499 I504	L461-F494 HydrophobicContact CB-CZ 4.42Å; V489-F494 HydrophobicContact CG1-CE2 3.86Å; V489-F494 HydrophobicContact CG1-CZ 4.07Å; V489-F494 VanDerWaalsContact O-CE2 3.26Å; V489-F494 WeakPolarHBondContact O-CE2 3.49Å; Y492-F494 VanDerWaalsContact C-N 3.29Å; Y492-F494 AromaticContact CD1-CD1 3.51Å; Y492-F494 HydrophobicContact CD1-CD1 3.51Å; Y492-F494 HydrophobicContact CD1-CD2 4Å; Y492-F494 AromaticContact CD1-CE1 3.51Å; Y492-F494 HydrophobicContact CD1-CE1 3.51Å; Y492-F494 HydrophobicContact CD1-CE2 4.03Å; Y492-F494 AromaticContact CD1-CG 3.76Å; Y492-F494 HydrophobicContact CD1-CG 3.76Å; Y492-F494 AromaticContact CD1-CZ 3.78Å; Y492-F494 HydrophobicContact CD1-CZ 3.78Å; Y492-F494 AromaticContact CE1-CD1 3.84Å; Y492-F494 HydrophobicContact CE1-CD1 3.84Å; Y492-F494 AromaticContact CE1-CE1 3.98Å; Y492-F494 HydrophobicContact CE1-CE1 3.98Å; Y492-F494 HydrophobicContact CE1-CG 4.39Å; Y492-F494 HydrophobicContact CG-CE1 4.43Å; Y492-F494 HydrophobicContact CG-CE2 4.48Å; Y492-F494 HydrophobicContact CG-CZ 4.33Å; Y492-F494 WeakPolarHBondContact O-CD2 3.19Å; Y492-F494 PolarHBondContact O-N 3.33Å; F494-L498 HydrophobicContact CB-CB 3.71Å; F494-L498 HydrophobicContact CD1-CB 4.16Å; F494-L498 HydrophobicContact CD1-CD2 3.69Å; F494-L498 HydrophobicContact CE1-CD2 4.17Å; F494-L498 HydrophobicContact CG-CB 4.11Å; F494-L498 HydrophobicContact CG-CD2 4.46Å; F494-Q499 HydrophobicContact CB-CG 3.88Å; F494-I504 HydrophobicContact CD2-CD1 3.48Å; F494-I504 VanDerWaalsContact CD2-CD1 3.48Å; F494-I504 HydrophobicContact CE2-CD1 3.73Å; F494-I504 HydrophobicContact CG-CD1 4.28Å
495	K	58.6	Low	69.2	Low	175 Å²	175	67.4 Å²	67.4	76%	0.761	35%	0.351	S	S	*	.			trans	-58.6	148.8	164.8	-69.5	-178.7	179.5	177.7	0	109.3	D497 L498 Q499	K495-D497 PolarHBondContact O-N 3.25Å; K495-L498 PolarHBondContact O-N 2.87Å; K495-Q499 PolarHBondContact O-N 3.33Å
496	Q	53.8	Low	68.9	Low	149 Å²	149	67 Å²	67	70%	0.696	35%	0.347	S	S	*	.	H	α-helix	trans	-51.9	-35.6	-171.2	-154.9	166.7	3.3	0	0	113.8	Q499 N500	Q496-Q499 PolarHBondContact O-N 3.37Å; Q496-N500 PolarHBondContact O-N 3.06Å; Q496-N500 PolarHBondContact O-ND2 3.28Å
497	D	53	Low	68.6	Low	144 Å²	144	66.9 Å²	66.9	77%	0.77	35%	0.347	S	S	*	.	H	α-helix	trans	-66	-36	176.3	-60.9	-28.7	0	0	0	113.4	K495	K495-D497 PolarHBondContact O-N 3.25Å
498	L	54.3	Low	68.5	Low	95 Å²	95	65.4 Å²	65.4	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-79	-32.8	175.7	-91.8	85.2	0	0	0	111.7	F494 K495 N500 S501 I504	F494-L498 HydrophobicContact CB-CB 3.71Å; F494-L498 HydrophobicContact CD1-CB 4.16Å; F494-L498 HydrophobicContact CD1-CD2 3.69Å; F494-L498 HydrophobicContact CE1-CD2 4.17Å; F494-L498 HydrophobicContact CG-CB 4.11Å; F494-L498 HydrophobicContact CG-CD2 4.46Å; K495-L498 PolarHBondContact O-N 2.87Å; L498-N500 PolarHBondContact O-N 3.01Å; L498-S501 VanDerWaalsContact O-CB 3.23Å; L498-S501 WeakPolarHBondContact O-CB 3.23Å; L498-S501 PolarHBondContact O-N 2.96Å; L498-S501 PolarHBondContact O-OG 3.45Å; L498-I504 WeakPolarHBondContact O-CD1 3.47Å
499	Q	56.7	Low	68.4	Low	77 Å²	77	62.9 Å²	62.9	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-27.7	173.9	-74.9	-172.5	-23.1	0	0	112.5	F494 K495 Q496 S501	F494-Q499 HydrophobicContact CB-CG 3.88Å; K495-Q499 PolarHBondContact O-N 3.33Å; Q496-Q499 PolarHBondContact O-N 3.37Å; Q499-S501 VanDerWaalsContact C-N 3.3Å
500	N	62	Low	68.4	Low	97 Å²	97	62.7 Å²	62.7	52%	0.519	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	14.1	178.6	-67.8	-22.1	0	0	0	113.8	Q496 L498 F505	Q496-N500 PolarHBondContact O-N 3.06Å; Q496-N500 PolarHBondContact O-ND2 3.28Å; L498-N500 PolarHBondContact O-N 3.01Å; N500-F505 VanDerWaalsContact CA-CZ 3.43Å; N500-F505 HydrophobicContact CB-CZ 4.08Å; N500-F505 VanDerWaalsContact O-CE2 3.29Å; N500-F505 WeakPolarHBondContact O-CE2 3.5Å
501	S	63.4	Low	68.7	Low	27 Å²	27	63.9 Å²	63.9	19%	0.189	32%	0.318	C	S	.	.			trans	-74.3	146.2	176.8	95	0	0	0	0	110.7	L498 Q499 E503 I504 F505	L498-S501 VanDerWaalsContact O-CB 3.23Å; L498-S501 WeakPolarHBondContact O-CB 3.23Å; L498-S501 PolarHBondContact O-N 2.96Å; L498-S501 PolarHBondContact O-OG 3.45Å; Q499-S501 VanDerWaalsContact C-N 3.3Å; S501-E503 WeakPolarHBondContact CB-OE2 3.48Å; S501-E503 PolarHBondContact O-N 3.24Å; S501-E503 PolarHBondContact OG-OE2 3.25Å; S501-I504 PolarHBondContact O-N 3.38Å; S501-F505 WeakPolarHBondContact O-CD2 3.46Å; S501-F505 PolarHBondContact O-N 3.39Å
502	S	66.8	Low	68.7	Low	28 Å²	28	60.2 Å²	60.2	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-35	179.7	45.9	0	0	0	0	111.2	H83 I504 F505 H506	H83-S502 PolarHBondContact CD2-OG 3.37Å; H83-S502 PolarHBondContact CE1-OG 3.5Å; H83-S502 PolarHBondContact NE2-OG 3.29Å; S502-I504 VanDerWaalsContact C-N 3.32Å; S502-I504 PolarHBondContact O-N 3.35Å; S502-F505 PolarHBondContact O-N 3.25Å; S502-F505 VanDerWaalsContact O-N 3.16Å; S502-H506 PolarHBondContact O-N 2.84Å; S502-H506 PolarHBondContact O-ND1 2.91Å
503	E	66.4	Low	69	Low	30 Å²	30	54.8 Å²	54.8	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-45.1	178.2	-58.1	79.1	-178.2	0	0	111.9	H83 S501 H506 L507	H83-E503 WeakPolarHBondContact CB-OE1 3.44Å; H83-E503 VanDerWaalsContact CD2-CD 3.45Å; H83-E503 IonicContact CD2-OE1 3.84Å; H83-E503 PolarHBondContact CD2-OE1 3.15Å; H83-E503 IonicContact CG-OE1 3.79Å; S501-E503 WeakPolarHBondContact CB-OE2 3.48Å; S501-E503 PolarHBondContact O-N 3.24Å; S501-E503 PolarHBondContact OG-OE2 3.25Å; E503-H506 PolarHBondContact O-N 3.43Å; E503-L507 WeakPolarHBondContact O-CB 3.42Å; E503-L507 WeakPolarHBondContact O-CG 3.43Å; E503-L507 PolarHBondContact O-N 3.4Å
504	I	72.7	Confident	69.6	Low	14 Å²	14	48 Å²	48	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-38.8	179.6	-64.6	-176	0	0	0	110.4	L490 F494 L498 S501 S502 L507 K508	L490-I504 HydrophobicContact CD2-CG2 4.25Å; F494-I504 HydrophobicContact CD2-CD1 3.48Å; F494-I504 VanDerWaalsContact CD2-CD1 3.48Å; F494-I504 HydrophobicContact CE2-CD1 3.73Å; F494-I504 HydrophobicContact CG-CD1 4.28Å; L498-I504 WeakPolarHBondContact O-CD1 3.47Å; S501-I504 PolarHBondContact O-N 3.38Å; S502-I504 VanDerWaalsContact C-N 3.32Å; S502-I504 PolarHBondContact O-N 3.35Å; I504-L507 PolarHBondContact O-N 2.91Å; I504-K508 WeakPolarHBondContact O-CG 3.26Å; I504-K508 PolarHBondContact O-N 3.17Å
505	F	75.2	Confident	70.6	Confident	12 Å²	12	48.9 Å²	48.9	5%	0.053	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-49	174.3	-58.4	-32.1	0	0	0	111.6	N500 S501 S502 L507 K508 Y509 G545 P547	N500-F505 VanDerWaalsContact CA-CZ 3.43Å; N500-F505 HydrophobicContact CB-CZ 4.08Å; N500-F505 VanDerWaalsContact O-CE2 3.29Å; N500-F505 WeakPolarHBondContact O-CE2 3.5Å; S501-F505 WeakPolarHBondContact O-CD2 3.46Å; S501-F505 PolarHBondContact O-N 3.39Å; S502-F505 PolarHBondContact O-N 3.25Å; S502-F505 VanDerWaalsContact O-N 3.16Å; F505-L507 VanDerWaalsContact C-N 3.31Å; F505-L507 PolarHBondContact O-N 3.49Å; F505-K508 WeakPolarHBondContact O-CB 2.83Å; F505-K508 PolarHBondContact O-N 3.44Å; F505-Y509 WeakPolarHBondContact O-CD2 3.09Å; F505-Y509 PolarHBondContact O-N 2.98Å; F505-G545 WeakPolarHBondContact CD2-O 3.4Å; F505-P547 HydrophobicContact CD1-CB 4.16Å; F505-P547 HydrophobicContact CE1-CB 3.67Å; F505-P547 HydrophobicContact CE1-CG 3.96Å; F505-P547 HydrophobicContact CE2-CB 4.35Å; F505-P547 HydrophobicContact CE2-CG 3.81Å; F505-P547 HydrophobicContact CZ-CB 3.76Å; F505-P547 HydrophobicContact CZ-CG 3.48Å; F505-P547 VanDerWaalsContact CZ-CG 3.48Å
506	H	75.3	Confident	71.7	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.019	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-40.4	176.6	-69.5	94.9	0	0	0	112	F80 Y467 S502 E503 K508 Y509 L510 W542 Y780	F80-H506 AromaticContact CE2-CD2 3.73Å; F80-H506 AromaticContact CE2-CE1 3.73Å; F80-H506 AromaticContact CE2-NE2 3.52Å; Y467-H506 HydrophobicContact CD2-CB 4.06Å; Y467-H506 HydrophobicContact CE2-CB 3.58Å; S502-H506 PolarHBondContact O-N 2.84Å; S502-H506 PolarHBondContact O-ND1 2.91Å; E503-H506 PolarHBondContact O-N 3.43Å; H506-K508 VanDerWaalsContact C-N 3.33Å; H506-K508 PolarHBondContact O-N 2.8Å; H506-Y509 PolarHBondContact O-N 2.79Å; H506-L510 VanDerWaalsContact O-CB 3.23Å; H506-L510 WeakPolarHBondContact O-CB 3.23Å; H506-L510 PolarHBondContact O-N 2.84Å; H506-W542 AromaticContact CD2-CD1 3.6Å; H506-W542 AromaticContact CD2-NE1 3.84Å; H506-W542 PolarHBondContact CD2-O 2.79Å; H506-W542 PolarHBondContact NE2-O 3.46Å; H506-Y780 AromaticContact CD2-CE2 3.51Å; H506-Y780 AromaticContact NE2-CE2 3.67Å
507	L	78.4	Confident	72.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-36.8	174.3	-78	170.2	0	0	0	112.7	Y467 V489 L490 E503 I504 F505 R511	Y467-L507 HydrophobicContact CD2-CD2 3.99Å; Y467-L507 HydrophobicContact CD2-CG 4.16Å; V489-L507 HydrophobicContact CB-CD1 4.16Å; V489-L507 HydrophobicContact CG1-CD1 3.75Å; L490-L507 HydrophobicContact CD1-CB 4.34Å; L490-L507 HydrophobicContact CD2-CB 3.79Å; L490-L507 HydrophobicContact CG-CB 4.18Å; E503-L507 WeakPolarHBondContact O-CB 3.42Å; E503-L507 WeakPolarHBondContact O-CG 3.43Å; E503-L507 PolarHBondContact O-N 3.4Å; I504-L507 PolarHBondContact O-N 2.91Å; F505-L507 VanDerWaalsContact C-N 3.31Å; F505-L507 PolarHBondContact O-N 3.49Å; L507-R511 WeakPolarHBondContact O-CB 3.41Å; L507-R511 PolarHBondContact O-N 2.88Å
508	K	81.3	Confident	74.2	Confident	37 Å²	37	27.9 Å²	27.9	16%	0.161	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-45	174.9	-73.2	177.5	-179.1	179	0	111.7	L490 I504 F505 H506 R511 E512 E549	L490-K508 HydrophobicContact CD2-CG 3.94Å; I504-K508 WeakPolarHBondContact O-CG 3.26Å; I504-K508 PolarHBondContact O-N 3.17Å; F505-K508 WeakPolarHBondContact O-CB 2.83Å; F505-K508 PolarHBondContact O-N 3.44Å; H506-K508 VanDerWaalsContact C-N 3.33Å; H506-K508 PolarHBondContact O-N 2.8Å; K508-R511 WeakPolarHBondContact O-CB 3.14Å; K508-R511 PolarHBondContact O-N 2.85Å; K508-E512 PolarHBondContact O-N 3.17Å; K508-E549 IonicContact NZ-OE1 3.4Å; K508-E549 PolarHBondContact NZ-OE1 3.49Å; K508-E549 IonicContact NZ-OE2 3.71Å
509	Y	79.8	Confident	75.5	Confident	5 Å²	5	26 Å²	26	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-46.5	174.9	-74.3	-76.4	0	0	0	111.6	F505 H506 R511 E512 W513 F538 G541 W542 V546	F505-Y509 WeakPolarHBondContact O-CD2 3.09Å; F505-Y509 PolarHBondContact O-N 2.98Å; H506-Y509 PolarHBondContact O-N 2.79Å; Y509-R511 PolarHBondContact O-N 2.84Å; Y509-E512 PolarHBondContact O-N 3.01Å; Y509-W513 PolarHBondContact O-N 3.24Å; Y509-F538 AromaticContact CD1-CD2 3.81Å; Y509-F538 HydrophobicContact CD1-CD2 3.81Å; Y509-F538 HydrophobicContact CD1-CE1 4.37Å; Y509-F538 AromaticContact CD1-CE2 3.6Å; Y509-F538 HydrophobicContact CD1-CE2 3.6Å; Y509-F538 HydrophobicContact CD1-CG 4.29Å; Y509-F538 AromaticContact CD1-CZ 3.9Å; Y509-F538 HydrophobicContact CD1-CZ 3.9Å; Y509-F538 HydrophobicContact CE1-CD2 4.14Å; Y509-F538 HydrophobicContact CE1-CE2 4.35Å; Y509-F538 WeakPolarHBondContact O-CZ 3.45Å; Y509-G541 WeakPolarHBondContact CE2-O 3.44Å; Y509-G541 WeakPolarHBondContact OH-CA 3.33Å; Y509-W542 VanDerWaalsContact CB-CG 3.48Å; Y509-W542 HydrophobicContact CD1-CB 3.75Å; Y509-W542 HydrophobicContact CD1-CG 4.3Å; Y509-W542 HydrophobicContact CD2-CB 3.97Å; Y509-W542 HydrophobicContact CD2-CG 4.16Å; Y509-W542 HydrophobicContact CE1-CB 4.28Å; Y509-W542 HydrophobicContact CE2-CB 4.47Å; Y509-W542 HydrophobicContact CG-CB 3.61Å; Y509-W542 AromaticContact CG-CD1 3.98Å; Y509-W542 HydrophobicContact CG-CD2 4.45Å; Y509-W542 AromaticContact CG-CG 3.74Å; Y509-W542 HydrophobicContact CG-CG 3.74Å; Y509-V546 WeakPolarHBondContact CE2-O 3.3Å; Y509-V546 PolarHBondContact OH-O 2.97Å
510	L	80.1	Confident	76.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-35.7	-179.6	-159.1	162.9	0	0	0	110.9	Y467 T470 L471 L474 H506 E512 W513 I514 W542	Y467-L510 HydrophobicContact CD2-CD1 3.77Å; Y467-L510 HydrophobicContact CE2-CB 4.38Å; Y467-L510 HydrophobicContact CE2-CD1 3.32Å; Y467-L510 HydrophobicContact CE2-CG 4.47Å; T470-L510 HydrophobicContact CG2-CD1 4.49Å; T470-L510 HydrophobicContact CG2-CD2 3.29Å; L471-L510 HydrophobicContact CD2-CD1 3.37Å; L471-L510 HydrophobicContact CD2-CG 4.37Å; L471-L510 HydrophobicContact CG-CD1 3.6Å; L474-L510 HydrophobicContact CD2-CD2 4.09Å; L474-L510 HydrophobicContact CD2-CG 4.3Å; H506-L510 VanDerWaalsContact O-CB 3.23Å; H506-L510 WeakPolarHBondContact O-CB 3.23Å; H506-L510 PolarHBondContact O-N 2.84Å; L510-E512 PolarHBondContact O-N 3.19Å; L510-W513 PolarHBondContact O-N 3.44Å; L510-I514 HydrophobicContact CD2-CD1 3.38Å; L510-I514 HydrophobicContact CD2-CG1 3.72Å; L510-I514 WeakPolarHBondContact O-CD1 3.15Å; L510-I514 VanDerWaalsContact O-CG1 3.22Å; L510-I514 WeakPolarHBondContact O-CG1 3.29Å; L510-I514 PolarHBondContact O-N 3.48Å; L510-W542 HydrophobicContact CB-CZ2 4.13Å; L510-W542 HydrophobicContact CD1-CZ2 4.47Å; L510-W542 HydrophobicContact CG-CZ2 4.17Å
511	R	83.2	Confident	77.2	Confident	68 Å²	68	19 Å²	19	26%	0.257	9%	0.09	S	C	.	.	H	α-helix	trans	-56.8	-46.9	171.8	-169.9	-173.8	67.8	-163.3	-2.8	112.8	M483 L490 L507 K508 Y509 R515	M483-R511 HydrophobicContact CE-CG 3.56Å; M483-R511 HydrophobicContact SD-CG 3.66Å; L490-R511 HydrophobicContact CD1-CB 4.4Å; L507-R511 WeakPolarHBondContact O-CB 3.41Å; L507-R511 PolarHBondContact O-N 2.88Å; K508-R511 WeakPolarHBondContact O-CB 3.14Å; K508-R511 PolarHBondContact O-N 2.85Å; Y509-R511 PolarHBondContact O-N 2.84Å; R511-R515 WeakPolarHBondContact O-CG 3.44Å; R511-R515 PolarHBondContact O-N 3.11Å
512	E	79.7	Confident	77.7	Confident	5 Å²	5	24.2 Å²	24.2	2%	0.023	11%	0.107	C	C	.	.	H	α-helix	trans	-70.6	-36.1	178.6	-58.7	-46.7	134	0	0	111.4	K508 Y509 L510 R515 Y516 F538 Q557	K508-E512 PolarHBondContact O-N 3.17Å; Y509-E512 PolarHBondContact O-N 3.01Å; L510-E512 PolarHBondContact O-N 3.19Å; E512-R515 PolarHBondContact O-N 3.19Å; E512-R515 IonicContact OE1-CZ 3.95Å; E512-R515 IonicContact OE1-NH1 3.99Å; E512-R515 PolarHBondContact OE1-NH1 2.94Å; E512-R515 IonicContact OE2-NH1 3.97Å; E512-R515 PolarHBondContact OE2-NH1 3.32Å; E512-R515 VanDerWaalsContact OE2-NH1 3.09Å; E512-Y516 PolarHBondContact O-N 2.76Å; E512-F538 HydrophobicContact CB-CE2 3.94Å; E512-F538 HydrophobicContact CB-CZ 4.24Å; E512-Q557 PolarHBondContact OE2-N 2.8Å
513	W	80.4	Confident	77.8	Confident	9 Å²	9	25.6 Å²	25.6	3%	0.034	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-45.9	173.4	-176.7	-95.4	0	0	0	112.4	Y509 L510 R515 Y516 T517 W530 L534 F538 W542 P779	Y509-W513 PolarHBondContact O-N 3.24Å; L510-W513 PolarHBondContact O-N 3.44Å; W513-R515 VanDerWaalsContact C-N 3.27Å; W513-R515 PolarHBondContact O-N 2.67Å; W513-Y516 HydrophobicContact CZ3-CD1 4.43Å; W513-Y516 PolarHBondContact O-N 3.21Å; W513-T517 PolarHBondContact NE1-OG1 3.19Å; W513-T517 PolarHBondContact O-N 3.11Å; W513-T517 PolarHBondContact O-OG1 3.11Å; W513-W530 HydrophobicContact CH2-CB 4Å; W513-W530 AromaticContact CH2-CD1 3.95Å; W513-W530 AromaticContact CH2-CD2 3.59Å; W513-W530 HydrophobicContact CH2-CD2 3.59Å; W513-W530 AromaticContact CH2-CE2 3.93Å; W513-W530 HydrophobicContact CH2-CE3 4.04Å; W513-W530 AromaticContact CH2-CG 3.58Å; W513-W530 HydrophobicContact CH2-CG 3.58Å; W513-W530 HydrophobicContact CZ3-CB 3.93Å; W513-W530 AromaticContact CZ3-CD2 3.55Å; W513-W530 HydrophobicContact CZ3-CD2 3.55Å; W513-W530 AromaticContact CZ3-CE3 3.52Å; W513-W530 HydrophobicContact CZ3-CE3 3.52Å; W513-W530 AromaticContact CZ3-CG 3.77Å; W513-W530 HydrophobicContact CZ3-CG 3.77Å; W513-W530 HydrophobicContact CZ3-CZ3 4.12Å; W513-L534 HydrophobicContact CE3-CD1 3.69Å; W513-L534 HydrophobicContact CZ3-CD1 3.77Å; W513-F538 HydrophobicContact CE3-CE1 4.33Å; W513-W542 HydrophobicContact CB-CH2 3.99Å; W513-W542 HydrophobicContact CB-CZ3 4Å; W513-W542 HydrophobicContact CD2-CH2 4.31Å; W513-W542 AromaticContact CD2-CZ3 3.96Å; W513-W542 HydrophobicContact CD2-CZ3 3.96Å; W513-W542 HydrophobicContact CE3-CZ3 4.11Å; W513-W542 AromaticContact CG-CH2 3.89Å; W513-W542 HydrophobicContact CG-CH2 3.89Å; W513-W542 AromaticContact CG-CZ3 3.92Å; W513-W542 HydrophobicContact CG-CZ3 3.92Å; W513-P779 HydrophobicContact CD2-CB 4.39Å; W513-P779 HydrophobicContact CZ2-CB 3.88Å
514	I	80.5	Confident	77.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57	-44	176.7	-65.7	157.6	0	0	0	110.6	T470 L474 L479 A482 M483 L510 H518 I560	T470-I514 HydrophobicContact CG2-CD1 3.75Å; L474-I514 HydrophobicContact CD1-CG1 3.99Å; L479-I514 HydrophobicContact CB-CG2 3.81Å; L479-I514 HydrophobicContact CD2-CG2 4.08Å; L479-I514 HydrophobicContact CG-CG2 4.47Å; L479-I514 WeakPolarHBondContact O-CG2 3.19Å; A482-I514 HydrophobicContact CB-CD1 3.61Å; A482-I514 HydrophobicContact CB-CG1 4.09Å; A482-I514 HydrophobicContact CB-CG2 4.47Å; M483-I514 HydrophobicContact CG-CD1 4.46Å; M483-I514 HydrophobicContact CG-CG2 4Å; M483-I514 HydrophobicContact SD-CB 4.29Å; M483-I514 HydrophobicContact SD-CD1 4Å; M483-I514 HydrophobicContact SD-CG2 4.26Å; L510-I514 HydrophobicContact CD2-CD1 3.38Å; L510-I514 HydrophobicContact CD2-CG1 3.72Å; L510-I514 WeakPolarHBondContact O-CD1 3.15Å; L510-I514 VanDerWaalsContact O-CG1 3.22Å; L510-I514 WeakPolarHBondContact O-CG1 3.29Å; L510-I514 PolarHBondContact O-N 3.48Å; I514-H518 VanDerWaalsContact O-CB 3.29Å; I514-H518 WeakPolarHBondContact O-CB 3.38Å; I514-H518 PolarHBondContact O-N 2.86Å; I514-I560 HydrophobicContact CG2-CD1 3.56Å
515	R	82.3	Confident	77.1	Confident	51 Å²	51	25.9 Å²	25.9	19%	0.192	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-44.4	178.9	-71.9	171.7	175.6	175.3	-7.4	111.6	R511 E512 W513 H518 N519 Q557 I560	R511-R515 WeakPolarHBondContact O-CG 3.44Å; R511-R515 PolarHBondContact O-N 3.11Å; E512-R515 PolarHBondContact O-N 3.19Å; E512-R515 IonicContact OE1-CZ 3.95Å; E512-R515 IonicContact OE1-NH1 3.99Å; E512-R515 PolarHBondContact OE1-NH1 2.94Å; E512-R515 IonicContact OE2-NH1 3.97Å; E512-R515 PolarHBondContact OE2-NH1 3.32Å; E512-R515 VanDerWaalsContact OE2-NH1 3.09Å; W513-R515 VanDerWaalsContact C-N 3.27Å; W513-R515 PolarHBondContact O-N 2.67Å; R515-H518 WeakPolarHBondContact O-CB 3.08Å; R515-H518 PolarHBondContact O-N 3.31Å; R515-N519 VanDerWaalsContact O-CG 3.24Å; R515-N519 PolarHBondContact O-N 3.29Å; R515-N519 PolarHBondContact O-ND2 3.23Å; R515-N519 VanDerWaalsContact O-ND2 3.14Å; R515-Q557 HydrophobicContact CB-CB 3.51Å; R515-Q557 HydrophobicContact CB-CG 4.48Å; R515-I560 HydrophobicContact CG-CG1 4.18Å
516	Y	80.6	Confident	76.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.9	-54.4	175.2	173.2	-94	0	0	0	111	E512 W513 H518 N519 H520 F528 W530 D533 L534	E512-Y516 PolarHBondContact O-N 2.76Å; W513-Y516 HydrophobicContact CZ3-CD1 4.43Å; W513-Y516 PolarHBondContact O-N 3.21Å; Y516-H518 VanDerWaalsContact C-N 3.26Å; Y516-H518 PolarHBondContact O-N 3.28Å; Y516-N519 PolarHBondContact O-N 3.16Å; Y516-N519 VanDerWaalsContact O-N 3.1Å; Y516-H520 AromaticContact CD2-CE1 3.55Å; Y516-H520 AromaticContact CD2-ND1 3.74Å; Y516-H520 AromaticContact CE2-CD2 3.69Å; Y516-H520 AromaticContact CE2-CE1 3.35Å; Y516-H520 WeakPolarHBondContact CE2-CE1 3.39Å; Y516-H520 AromaticContact CE2-CG 3.88Å; Y516-H520 AromaticContact CE2-ND1 3.6Å; Y516-H520 AromaticContact CE2-NE2 3.46Å; Y516-H520 WeakPolarHBondContact CE2-NE2 3.47Å; Y516-H520 AromaticContact CZ-CD2 3.81Å; Y516-H520 AromaticContact CZ-CG 3.88Å; Y516-H520 PolarHBondContact O-N 3.36Å; Y516-H520 PolarHBondContact O-ND1 2.92Å; Y516-F528 HydrophobicContact CD1-CE2 4.48Å; Y516-F528 HydrophobicContact CE1-CD2 4.38Å; Y516-F528 AromaticContact CE1-CE2 3.57Å; Y516-F528 HydrophobicContact CE1-CE2 3.57Å; Y516-F528 AromaticContact CE1-CZ 3.79Å; Y516-F528 HydrophobicContact CE1-CZ 3.79Å; Y516-W530 HydrophobicContact CD1-CB 4.14Å; Y516-W530 HydrophobicContact CE1-CB 3.29Å; Y516-W530 HydrophobicContact CE2-CB 4.46Å; Y516-W530 VanDerWaalsContact CZ-CB 3.49Å; Y516-W530 WeakPolarHBondContact OH-CA 3.21Å; Y516-W530 WeakPolarHBondContact OH-CB 3.45Å; Y516-W530 PolarHBondContact OH-N 3.47Å; Y516-D533 HydrophobicContact CD2-CB 4.39Å; Y516-D533 HydrophobicContact CE2-CB 3.47Å; Y516-D533 VanDerWaalsContact CE2-CB 3.47Å; Y516-D533 PolarHBondContact OH-OD2 2.9Å; Y516-L534 HydrophobicContact CD1-CD1 4.38Å; Y516-L534 HydrophobicContact CD2-CD2 4.09Å; Y516-L534 HydrophobicContact CD2-CG 4.21Å; Y516-L534 HydrophobicContact CG-CD1 4.2Å; Y516-L534 HydrophobicContact CG-CD2 4.3Å; Y516-L534 HydrophobicContact CG-CG 4.34Å
517	T	77.6	Confident	75.2	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-37.5	179.4	-50.6	0	0	0	0	112	W513 N519 H520 L521	W513-T517 PolarHBondContact NE1-OG1 3.19Å; W513-T517 PolarHBondContact O-N 3.11Å; W513-T517 PolarHBondContact O-OG1 3.11Å; T517-N519 PolarHBondContact O-N 3.37Å; T517-H520 PolarHBondContact O-N 3.24Å; T517-L521 PolarHBondContact O-N 2.72Å; T517-L521 VanDerWaalsContact O-N 3.09Å
518	H	82.5	Confident	74.4	Confident	23 Å²	23	31.9 Å²	31.9	11%	0.106	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-46.2	176.4	175.9	-92.9	0	0	0	112.2	L479 I514 R515 Y516 H520 I560	L479-H518 HydrophobicContact CD1-CB 3.59Å; I514-H518 VanDerWaalsContact O-CB 3.29Å; I514-H518 WeakPolarHBondContact O-CB 3.38Å; I514-H518 PolarHBondContact O-N 2.86Å; R515-H518 WeakPolarHBondContact O-CB 3.08Å; R515-H518 PolarHBondContact O-N 3.31Å; Y516-H518 VanDerWaalsContact C-N 3.26Å; Y516-H518 PolarHBondContact O-N 3.28Å; H518-H520 VanDerWaalsContact C-N 3.26Å; H518-H520 PolarHBondContact O-N 3.42Å; H518-I560 HydrophobicContact CB-CG1 4.39Å
519	N	80.4	Confident	73.4	Confident	54 Å²	54	31.1 Å²	31.1	29%	0.289	14%	0.142	S	C	.	.	H	α-helix	trans	-73.4	-21	-175.3	-61.8	-22.7	0	0	0	112.7	R515 Y516 T517 P558	R515-N519 VanDerWaalsContact O-CG 3.24Å; R515-N519 PolarHBondContact O-N 3.29Å; R515-N519 PolarHBondContact O-ND2 3.23Å; R515-N519 VanDerWaalsContact O-ND2 3.14Å; Y516-N519 PolarHBondContact O-N 3.16Å; Y516-N519 VanDerWaalsContact O-N 3.1Å; T517-N519 PolarHBondContact O-N 3.37Å; N519-P558 WeakPolarHBondContact ND2-CB 3.25Å; N519-P558 VanDerWaalsContact ND2-CD 3.31Å; N519-P558 WeakPolarHBondContact ND2-CD 3.45Å; N519-P558 VanDerWaalsContact ND2-CG 3.33Å; N519-P558 WeakPolarHBondContact ND2-CG 3.46Å
520	H	79.3	Confident	72.5	Confident	27 Å²	27	32 Å²	32	13%	0.125	15%	0.145	C	C	.	.	H	α-helix	trans	-109.8	6.8	-175.4	-56.9	64.1	0	0	0	112.8	Y516 T517 H518 Y522 Q523 F528 D533	Y516-H520 AromaticContact CD2-CE1 3.55Å; Y516-H520 AromaticContact CD2-ND1 3.74Å; Y516-H520 AromaticContact CE2-CD2 3.69Å; Y516-H520 AromaticContact CE2-CE1 3.35Å; Y516-H520 WeakPolarHBondContact CE2-CE1 3.39Å; Y516-H520 AromaticContact CE2-CG 3.88Å; Y516-H520 AromaticContact CE2-ND1 3.6Å; Y516-H520 AromaticContact CE2-NE2 3.46Å; Y516-H520 WeakPolarHBondContact CE2-NE2 3.47Å; Y516-H520 AromaticContact CZ-CD2 3.81Å; Y516-H520 AromaticContact CZ-CG 3.88Å; Y516-H520 PolarHBondContact O-N 3.36Å; Y516-H520 PolarHBondContact O-ND1 2.92Å; T517-H520 PolarHBondContact O-N 3.24Å; H518-H520 VanDerWaalsContact C-N 3.26Å; H518-H520 PolarHBondContact O-N 3.42Å; H520-Y522 VanDerWaalsContact C-N 3.27Å; H520-Y522 PolarHBondContact O-N 2.87Å; H520-Q523 HydrophobicContact CB-CG 4.45Å; H520-Q523 PolarHBondContact CD2-NE2 3.21Å; H520-Q523 VanDerWaalsContact CD2-NE2 3.31Å; H520-Q523 PolarHBondContact CD2-OE1 2.83Å; H520-Q523 VanDerWaalsContact CG-OE1 3.31Å; H520-Q523 PolarHBondContact O-N 3.36Å; H520-F528 HydrophobicContact CB-CD2 3.62Å; H520-F528 HydrophobicContact CB-CE2 3.84Å; H520-D533 IonicContact CD2-OD2 2.68Å; H520-D533 IonicContact NE2-OD2 2.57Å
521	L	75.6	Confident	71.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.4	-174.5	-163.7	90.3	0	0	0	114.1	L479 T517 L567 V568 S1160 K1162 L1165	L479-L521 HydrophobicContact CD1-CD1 4.42Å; T517-L521 PolarHBondContact O-N 2.72Å; T517-L521 VanDerWaalsContact O-N 3.09Å; L521-L567 HydrophobicContact CD2-CB 3.69Å; L521-L567 HydrophobicContact CD2-CD1 4.45Å; L521-L567 HydrophobicContact CD2-CG 4.48Å; L521-V568 HydrophobicContact CD1-CG2 4.06Å; L521-V568 HydrophobicContact CD2-CG2 3.86Å; L521-S1160 VanDerWaalsContact O-CB 3.29Å; L521-S1160 WeakPolarHBondContact O-CB 3.43Å; L521-S1160 PolarHBondContact O-OG 2.91Å; L521-S1160 VanDerWaalsContact O-OG 3.08Å; L521-K1162 HydrophobicContact CD2-CB 4.09Å; L521-K1162 HydrophobicContact CD2-CG 4.38Å; L521-K1162 HydrophobicContact CG-CB 3.96Å; L521-K1162 PolarHBondContact O-N 3.45Å; L521-L1165 HydrophobicContact CD1-CD1 3.84Å
522	Y	74.9	Confident	69.8	Low	137 Å²	137	33.9 Å²	33.9	54%	0.537	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-8.5	-179.6	-67.2	-71.8	0	0	0	113.8	H520 L567 K1162	H520-Y522 VanDerWaalsContact C-N 3.27Å; H520-Y522 PolarHBondContact O-N 2.87Å; Y522-L567 HydrophobicContact CE2-CD2 3.49Å; Y522-L567 VanDerWaalsContact CE2-CD2 3.49Å; Y522-L567 WeakPolarHBondContact OH-CD2 3.47Å; Y522-K1162 HydrophobicContact CD1-CD 4.47Å; Y522-K1162 HydrophobicContact CE1-CD 3.87Å
523	Q	68.1	Low	69	Low	57 Å²	57	36.3 Å²	36.3	27%	0.266	17%	0.173	S	C	.	.	S	Bend	trans	-64.7	147.3	177.3	-75.5	179.4	-9.1	0	0	109.9	H520 S1160 P1161	H520-Q523 HydrophobicContact CB-CG 4.45Å; H520-Q523 PolarHBondContact CD2-NE2 3.21Å; H520-Q523 VanDerWaalsContact CD2-NE2 3.31Å; H520-Q523 PolarHBondContact CD2-OE1 2.83Å; H520-Q523 VanDerWaalsContact CG-OE1 3.31Å; H520-Q523 PolarHBondContact O-N 3.36Å; Q523-S1160 WeakPolarHBondContact O-CA 2.91Å; Q523-S1160 WeakPolarHBondContact O-CB 3.49Å; Q523-P1161 WeakPolarHBondContact O-CD 3.42Å
524	P	62.7	Low	68.3	Low	45 Å²	45	36.1 Å²	36.1	29%	0.292	17%	0.172	S	C	.	.			trans	-60	143.5	173.9	29.7	-35	0	0	0	109.8	N526 E527 F528 K1159	P524-N526 WeakPolarHBondContact CB-OD1 3.45Å; P524-N526 WeakPolarHBondContact CG-OD1 3.04Å; P524-N526 PolarHBondContact O-N 3.41Å; P524-E527 WeakPolarHBondContact CD-OE2 3.5Å; P524-E527 HydrophobicContact CG-CB 4.02Å; P524-E527 VanDerWaalsContact CG-CD 3.41Å; P524-E527 HydrophobicContact CG-CG 3.83Å; P524-E527 WeakPolarHBondContact CG-OE2 3.01Å; P524-E527 PolarHBondContact O-N 3.24Å; P524-F528 PolarHBondContact O-N 3.24Å; P524-K1159 WeakPolarHBondContact CA-O 3.26Å
525	L	60.6	Low	67.6	Low	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.4	-173.6	-164.3	73.1	0	0	0	113.5	E527 R772 E1155 I1158 K1159 P1161	L525-E527 VanDerWaalsContact C-N 3.34Å; L525-R772 PolarHBondContact O-NH1 2.83Å; L525-E1155 HydrophobicContact CB-CG 3.66Å; L525-I1158 HydrophobicContact CD2-CG2 4.27Å; L525-K1159 PolarHBondContact N-O 3.32Å; L525-K1159 VanDerWaalsContact N-O 3.17Å; L525-P1161 HydrophobicContact CD1-CG 4.17Å
526	N	54.9	Low	66.4	Low	41 Å²	41	42.1 Å²	42.1	22%	0.219	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.7	169.8	56.1	7.2	0	0	0	114.4	P524 H529 Q1127 E1155	P524-N526 WeakPolarHBondContact CB-OD1 3.45Å; P524-N526 WeakPolarHBondContact CG-OD1 3.04Å; P524-N526 PolarHBondContact O-N 3.41Å; N526-H529 PolarHBondContact O-NE2 3.42Å; N526-Q1127 PolarHBondContact O-NE2 3.24Å; N526-Q1127 PolarHBondContact O-OE1 3.47Å; N526-E1155 HydrophobicContact CB-CG 4.24Å; N526-E1155 VanDerWaalsContact CB-OE1 3.31Å; N526-E1155 WeakPolarHBondContact CB-OE1 3.36Å; N526-E1155 WeakPolarHBondContact CB-OE2 3.42Å; N526-E1155 PolarHBondContact ND2-OE2 2.97Å
527	E	56.9	Low	65.6	Low	98 Å²	98	47.1 Å²	47.1	46%	0.458	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-11.5	176.1	-72.2	173.4	-171.7	0	0	110.5	P524 L525 H529	P524-E527 WeakPolarHBondContact CD-OE2 3.5Å; P524-E527 HydrophobicContact CG-CB 4.02Å; P524-E527 VanDerWaalsContact CG-CD 3.41Å; P524-E527 HydrophobicContact CG-CG 3.83Å; P524-E527 WeakPolarHBondContact CG-OE2 3.01Å; P524-E527 PolarHBondContact O-N 3.24Å; L525-E527 VanDerWaalsContact C-N 3.34Å; E527-H529 PolarHBondContact O-N 2.98Å
528	F	61.5	Low	65.1	Low	4 Å²	4	47.5 Å²	47.5	2%	0.018	23%	0.231	C	C	.	.			trans	-76.3	89.6	176.5	-173.6	-98	0	0	0	111.2	Y516 H520 P524 L776 P1161	Y516-F528 HydrophobicContact CD1-CE2 4.48Å; Y516-F528 HydrophobicContact CE1-CD2 4.38Å; Y516-F528 AromaticContact CE1-CE2 3.57Å; Y516-F528 HydrophobicContact CE1-CE2 3.57Å; Y516-F528 AromaticContact CE1-CZ 3.79Å; Y516-F528 HydrophobicContact CE1-CZ 3.79Å; H520-F528 HydrophobicContact CB-CD2 3.62Å; H520-F528 HydrophobicContact CB-CE2 3.84Å; P524-F528 PolarHBondContact O-N 3.24Å; F528-L776 HydrophobicContact CZ-CD2 4.49Å; F528-P1161 HydrophobicContact CB-CG 4.26Å; F528-P1161 HydrophobicContact CD1-CG 4.37Å; F528-P1161 HydrophobicContact CD2-CG 3.68Å; F528-P1161 HydrophobicContact CE2-CG 4.1Å; F528-P1161 HydrophobicContact CG-CG 3.84Å
529	H	59.9	Low	64.1	Low	20 Å²	20	48.5 Å²	48.5	9%	0.093	24%	0.238	C	C	.	.			trans	-125.5	67.8	-175.2	-65.6	-62.7	0	0	0	113.3	N526 E527 L531 I532 D533 R772 F1121 I1122	N526-H529 PolarHBondContact O-NE2 3.42Å; E527-H529 PolarHBondContact O-N 2.98Å; H529-L531 VanDerWaalsContact C-N 3.25Å; H529-L531 PolarHBondContact O-N 2.95Å; H529-L531 VanDerWaalsContact O-N 3.09Å; H529-I532 HydrophobicContact CB-CB 4.12Å; H529-I532 HydrophobicContact CB-CD1 3.82Å; H529-I532 HydrophobicContact CB-CG1 4.31Å; H529-I532 WeakPolarHBondContact O-CA 3.33Å; H529-I532 WeakPolarHBondContact O-CB 3.03Å; H529-I532 PolarHBondContact O-N 2.91Å; H529-D533 VanDerWaalsContact O-CG 3.27Å; H529-D533 PolarHBondContact O-N 2.87Å; H529-R772 PolarHBondContact CE1-NH2 3.25Å; H529-R772 VanDerWaalsContact CE1-NH2 3.32Å; H529-F1121 PolarHBondContact CE1-O 3.2Å; H529-F1121 PolarHBondContact ND1-O 3.27Å; H529-I1122 VanDerWaalsContact CE1-CA 3.46Å; H529-I1122 WeakPolarHBondContact CE1-CA 3.48Å; H529-I1122 PolarHBondContact CE1-O 3.21Å
530	W	60.8	Low	63.1	Low	25 Å²	25	50 Å²	50	10%	0.095	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-27.9	-172.9	74.1	-93.8	0	0	0	114.9	W513 Y516 I532 L534 V539	W513-W530 HydrophobicContact CH2-CB 4Å; W513-W530 AromaticContact CH2-CD1 3.95Å; W513-W530 AromaticContact CH2-CD2 3.59Å; W513-W530 HydrophobicContact CH2-CD2 3.59Å; W513-W530 AromaticContact CH2-CE2 3.93Å; W513-W530 HydrophobicContact CH2-CE3 4.04Å; W513-W530 AromaticContact CH2-CG 3.58Å; W513-W530 HydrophobicContact CH2-CG 3.58Å; W513-W530 HydrophobicContact CZ3-CB 3.93Å; W513-W530 AromaticContact CZ3-CD2 3.55Å; W513-W530 HydrophobicContact CZ3-CD2 3.55Å; W513-W530 AromaticContact CZ3-CE3 3.52Å; W513-W530 HydrophobicContact CZ3-CE3 3.52Å; W513-W530 AromaticContact CZ3-CG 3.77Å; W513-W530 HydrophobicContact CZ3-CG 3.77Å; W513-W530 HydrophobicContact CZ3-CZ3 4.12Å; Y516-W530 HydrophobicContact CD1-CB 4.14Å; Y516-W530 HydrophobicContact CE1-CB 3.29Å; Y516-W530 HydrophobicContact CE2-CB 4.46Å; Y516-W530 VanDerWaalsContact CZ-CB 3.49Å; Y516-W530 WeakPolarHBondContact OH-CA 3.21Å; Y516-W530 WeakPolarHBondContact OH-CB 3.45Å; Y516-W530 PolarHBondContact OH-N 3.47Å; W530-I532 PolarHBondContact O-N 3.37Å; W530-L534 HydrophobicContact CE3-CD1 4.19Å; W530-L534 WeakPolarHBondContact O-CA 3.24Å; W530-L534 WeakPolarHBondContact O-CB 3.42Å; W530-L534 PolarHBondContact O-N 3.17Å; W530-V539 HydrophobicContact CE3-CG2 4.43Å; W530-V539 HydrophobicContact CH2-CG2 3.27Å; W530-V539 HydrophobicContact CZ3-CG2 3.13Å
531	L	53.9	Low	62.4	Low	52 Å²	52	48.8 Å²	48.8	27%	0.272	24%	0.238	S	C	.	.	H	α-helix	trans	-69.5	-23.2	176.4	-81.6	161.4	0	0	0	112.7	H529 V539 F1121	H529-L531 VanDerWaalsContact C-N 3.25Å; H529-L531 PolarHBondContact O-N 2.95Å; H529-L531 VanDerWaalsContact O-N 3.09Å; L531-V539 HydrophobicContact CD2-CG2 4.16Å; L531-F1121 HydrophobicContact CB-CD2 4.48Å; L531-F1121 HydrophobicContact CB-CG 4.47Å; L531-F1121 HydrophobicContact CD1-CD1 3.7Å; L531-F1121 HydrophobicContact CD1-CE1 3.22Å; L531-F1121 HydrophobicContact CD1-CE2 4.2Å; L531-F1121 HydrophobicContact CD1-CG 4.38Å; L531-F1121 HydrophobicContact CD1-CZ 3.52Å
532	I	53.6	Low	62	Low	55 Å²	55	49.4 Å²	49.4	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-89.9	-45.7	174.6	-62.8	165	0	0	0	108.8	H529 W530 L534 E1118 F1121 I1122	H529-I532 HydrophobicContact CB-CB 4.12Å; H529-I532 HydrophobicContact CB-CD1 3.82Å; H529-I532 HydrophobicContact CB-CG1 4.31Å; H529-I532 WeakPolarHBondContact O-CA 3.33Å; H529-I532 WeakPolarHBondContact O-CB 3.03Å; H529-I532 PolarHBondContact O-N 2.91Å; W530-I532 PolarHBondContact O-N 3.37Å; I532-L534 PolarHBondContact O-N 3.45Å; I532-E1118 WeakPolarHBondContact CD1-OE2 3.34Å; I532-E1118 VanDerWaalsContact CG2-OE1 3.23Å; I532-E1118 WeakPolarHBondContact CG2-OE1 3.49Å; I532-F1121 HydrophobicContact CD1-CB 3.82Å; I532-F1121 HydrophobicContact CG1-CB 4.3Å; I532-I1122 HydrophobicContact CD1-CG1 4.24Å
533	D	62.1	Low	61.3	Low	56 Å²	56	43.9 Å²	43.9	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-73	-26.6	-175.1	-60.1	-35.2	0	0	0	113.4	Y516 H520 H529	Y516-D533 HydrophobicContact CD2-CB 4.39Å; Y516-D533 HydrophobicContact CE2-CB 3.47Å; Y516-D533 VanDerWaalsContact CE2-CB 3.47Å; Y516-D533 PolarHBondContact OH-OD2 2.9Å; H520-D533 IonicContact CD2-OD2 2.68Å; H520-D533 IonicContact NE2-OD2 2.57Å; H529-D533 VanDerWaalsContact O-CG 3.27Å; H529-D533 PolarHBondContact O-N 2.87Å
534	L	66.4	Low	61	Low	5 Å²	5	46.5 Å²	46.5	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-106.7	143.4	173.3	-59.2	175.9	0	0	0	109.8	W513 Y516 W530 I532 E536 F538 Q557	W513-L534 HydrophobicContact CE3-CD1 3.69Å; W513-L534 HydrophobicContact CZ3-CD1 3.77Å; Y516-L534 HydrophobicContact CD1-CD1 4.38Å; Y516-L534 HydrophobicContact CD2-CD2 4.09Å; Y516-L534 HydrophobicContact CD2-CG 4.21Å; Y516-L534 HydrophobicContact CG-CD1 4.2Å; Y516-L534 HydrophobicContact CG-CD2 4.3Å; Y516-L534 HydrophobicContact CG-CG 4.34Å; W530-L534 HydrophobicContact CE3-CD1 4.19Å; W530-L534 WeakPolarHBondContact O-CA 3.24Å; W530-L534 WeakPolarHBondContact O-CB 3.42Å; W530-L534 PolarHBondContact O-N 3.17Å; I532-L534 PolarHBondContact O-N 3.45Å; L534-E536 PolarHBondContact O-N 3.21Å; L534-F538 HydrophobicContact CB-CB 4.44Å; L534-F538 HydrophobicContact CB-CG 4.44Å; L534-F538 HydrophobicContact CD1-CD1 4.04Å; L534-F538 HydrophobicContact CD1-CE1 3.96Å; L534-F538 HydrophobicContact CD1-CZ 4.4Å; L534-Q557 HydrophobicContact CD2-CG 4.41Å
535	P	64.4	Low	61.2	Low	26 Å²	26	45 Å²	45	17%	0.169	22%	0.224	C	C	.	.			trans	-57.9	142	179.4	-18.1	27	0	0	0	112	M537 F538 S553	P535-M537 PolarHBondContact O-N 3.2Å; P535-M537 VanDerWaalsContact O-N 3.1Å; P535-F538 WeakPolarHBondContact O-CA 3.22Å; P535-F538 WeakPolarHBondContact O-CB 3.28Å; P535-F538 PolarHBondContact O-N 3.04Å; P535-S553 VanDerWaalsContact CB-OG 3.27Å; P535-S553 WeakPolarHBondContact CB-OG 3.41Å; P535-S553 WeakPolarHBondContact CG-O 3.45Å
536	E	58	Low	61.6	Low	151 Å²	151	47 Å²	47	71%	0.706	24%	0.236	S	C	*	.	H	α-helix	trans	-52.4	-38.6	177.3	-171	-176	-179.7	0	0	112.5	L534 F538 V539	L534-E536 PolarHBondContact O-N 3.21Å; E536-F538 PolarHBondContact O-N 2.85Å; E536-V539 PolarHBondContact O-N 2.87Å
537	M	64.1	Low	62.2	Low	104 Å²	104	46.7 Å²	46.7	51%	0.512	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-16.7	176.8	-68.6	-66.4	-75.1	0	0	114	P535 G541 V551	P535-M537 PolarHBondContact O-N 3.2Å; P535-M537 VanDerWaalsContact O-N 3.1Å; M537-G541 PolarHBondContact O-N 2.77Å; M537-V551 HydrophobicContact CB-CG1 3.69Å
538	F	66.9	Low	62.6	Low	13 Å²	13	42.2 Å²	42.2	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-50.1	177.5	-178.1	-91	0	0	0	111.4	Y509 E512 W513 L534 P535 E536 G541 W542	Y509-F538 AromaticContact CD1-CD2 3.81Å; Y509-F538 HydrophobicContact CD1-CD2 3.81Å; Y509-F538 HydrophobicContact CD1-CE1 4.37Å; Y509-F538 AromaticContact CD1-CE2 3.6Å; Y509-F538 HydrophobicContact CD1-CE2 3.6Å; Y509-F538 HydrophobicContact CD1-CG 4.29Å; Y509-F538 AromaticContact CD1-CZ 3.9Å; Y509-F538 HydrophobicContact CD1-CZ 3.9Å; Y509-F538 HydrophobicContact CE1-CD2 4.14Å; Y509-F538 HydrophobicContact CE1-CE2 4.35Å; Y509-F538 WeakPolarHBondContact O-CZ 3.45Å; E512-F538 HydrophobicContact CB-CE2 3.94Å; E512-F538 HydrophobicContact CB-CZ 4.24Å; W513-F538 HydrophobicContact CE3-CE1 4.33Å; L534-F538 HydrophobicContact CB-CB 4.44Å; L534-F538 HydrophobicContact CB-CG 4.44Å; L534-F538 HydrophobicContact CD1-CD1 4.04Å; L534-F538 HydrophobicContact CD1-CE1 3.96Å; L534-F538 HydrophobicContact CD1-CZ 4.4Å; P535-F538 WeakPolarHBondContact O-CA 3.22Å; P535-F538 WeakPolarHBondContact O-CB 3.28Å; P535-F538 PolarHBondContact O-N 3.04Å; E536-F538 PolarHBondContact O-N 2.85Å; F538-G541 PolarHBondContact O-N 3.23Å; F538-W542 HydrophobicContact CD1-CE3 4.42Å; F538-W542 AromaticContact CE1-CE3 3.68Å; F538-W542 HydrophobicContact CE1-CE3 3.68Å; F538-W542 HydrophobicContact CE1-CZ3 4.12Å; F538-W542 HydrophobicContact CZ-CE3 4.4Å; F538-W542 VanDerWaalsContact O-CB 3.31Å; F538-W542 WeakPolarHBondContact O-CB 3.26Å; F538-W542 PolarHBondContact O-N 3.27Å
539	V	60.1	Low	62.8	Low	43 Å²	43	48 Å²	48	26%	0.261	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-48.1	179.6	-176.4	0	0	0	0	110.3	W530 L531 E536 G541 W542 V543	W530-V539 HydrophobicContact CE3-CG2 4.43Å; W530-V539 HydrophobicContact CH2-CG2 3.27Å; W530-V539 HydrophobicContact CZ3-CG2 3.13Å; L531-V539 HydrophobicContact CD2-CG2 4.16Å; E536-V539 PolarHBondContact O-N 2.87Å; V539-G541 VanDerWaalsContact C-N 3.3Å; V539-G541 PolarHBondContact O-N 3.41Å; V539-W542 PolarHBondContact O-N 2.85Å; V539-V543 HydrophobicContact CG1-CG2 4.26Å; V539-V543 WeakPolarHBondContact O-CG2 3.31Å; V539-V543 PolarHBondContact O-N 2.67Å
540	H	60.7	Low	62.9	Low	86 Å²	86	51.2 Å²	51.2	40%	0.398	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-41.5	-178.4	179.3	-92.7	0	0	0	111.2	K544	H540-K544 VanDerWaalsContact CE1-CD 3.49Å; H540-K544 WeakPolarHBondContact CE1-CD 3.4Å; H540-K544 PolarHBondContact CE1-NZ 3.41Å; H540-K544 WeakPolarHBondContact NE2-CE 3.33Å; H540-K544 PolarHBondContact NE2-NZ 2.99Å; H540-K544 VanDerWaalsContact O-CB 3.31Å; H540-K544 WeakPolarHBondContact O-CB 3.26Å; H540-K544 WeakPolarHBondContact O-CG 3.4Å; H540-K544 PolarHBondContact O-N 3Å; H540-K544 VanDerWaalsContact O-N 3.11Å
541	G	64.2	Low	62.8	Low	2 Å²	2	50.7 Å²	50.7	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-39.7	174.1	0	0	0	0	0	113.1	Y509 M537 F538 V539 G545 V546	Y509-G541 WeakPolarHBondContact CE2-O 3.44Å; Y509-G541 WeakPolarHBondContact OH-CA 3.33Å; M537-G541 PolarHBondContact O-N 2.77Å; F538-G541 PolarHBondContact O-N 3.23Å; V539-G541 VanDerWaalsContact C-N 3.3Å; V539-G541 PolarHBondContact O-N 3.41Å; G541-G545 PolarHBondContact O-N 3Å; G541-V546 PolarHBondContact O-N 3.41Å
542	W	67.6	Low	62.6	Low	12 Å²	12	57.9 Å²	57.9	5%	0.045	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-52.5	177.2	-171.8	2.5	0	0	0	111.3	H506 Y509 L510 W513 F538 V539 K544 G545 P779 Y780	H506-W542 AromaticContact CD2-CD1 3.6Å; H506-W542 AromaticContact CD2-NE1 3.84Å; H506-W542 PolarHBondContact CD2-O 2.79Å; H506-W542 PolarHBondContact NE2-O 3.46Å; Y509-W542 VanDerWaalsContact CB-CG 3.48Å; Y509-W542 HydrophobicContact CD1-CB 3.75Å; Y509-W542 HydrophobicContact CD1-CG 4.3Å; Y509-W542 HydrophobicContact CD2-CB 3.97Å; Y509-W542 HydrophobicContact CD2-CG 4.16Å; Y509-W542 HydrophobicContact CE1-CB 4.28Å; Y509-W542 HydrophobicContact CE2-CB 4.47Å; Y509-W542 HydrophobicContact CG-CB 3.61Å; Y509-W542 AromaticContact CG-CD1 3.98Å; Y509-W542 HydrophobicContact CG-CD2 4.45Å; Y509-W542 AromaticContact CG-CG 3.74Å; Y509-W542 HydrophobicContact CG-CG 3.74Å; L510-W542 HydrophobicContact CB-CZ2 4.13Å; L510-W542 HydrophobicContact CD1-CZ2 4.47Å; L510-W542 HydrophobicContact CG-CZ2 4.17Å; W513-W542 HydrophobicContact CB-CH2 3.99Å; W513-W542 HydrophobicContact CB-CZ3 4Å; W513-W542 HydrophobicContact CD2-CH2 4.31Å; W513-W542 AromaticContact CD2-CZ3 3.96Å; W513-W542 HydrophobicContact CD2-CZ3 3.96Å; W513-W542 HydrophobicContact CE3-CZ3 4.11Å; W513-W542 AromaticContact CG-CH2 3.89Å; W513-W542 HydrophobicContact CG-CH2 3.89Å; W513-W542 AromaticContact CG-CZ3 3.92Å; W513-W542 HydrophobicContact CG-CZ3 3.92Å; F538-W542 HydrophobicContact CD1-CE3 4.42Å; F538-W542 AromaticContact CE1-CE3 3.68Å; F538-W542 HydrophobicContact CE1-CE3 3.68Å; F538-W542 HydrophobicContact CE1-CZ3 4.12Å; F538-W542 HydrophobicContact CZ-CE3 4.4Å; F538-W542 VanDerWaalsContact O-CB 3.31Å; F538-W542 WeakPolarHBondContact O-CB 3.26Å; F538-W542 PolarHBondContact O-N 3.27Å; V539-W542 PolarHBondContact O-N 2.85Å; W542-K544 PolarHBondContact O-N 2.99Å; W542-G545 PolarHBondContact O-N 2.91Å; W542-G545 VanDerWaalsContact O-N 3.17Å; W542-P779 HydrophobicContact CH2-CB 3.91Å; W542-P779 HydrophobicContact CH2-CG 3.96Å; W542-P779 HydrophobicContact CZ3-CB 4.26Å; W542-Y780 AromaticContact NE1-CD2 3.71Å
543	V	59.1	Low	62.6	Low	22 Å²	22	58 Å²	58	13%	0.133	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-48.8	-179.8	173.5	0	0	0	0	110.6	V539 G545	V539-V543 HydrophobicContact CG1-CG2 4.26Å; V539-V543 WeakPolarHBondContact O-CG2 3.31Å; V539-V543 PolarHBondContact O-N 2.67Å; V543-G545 PolarHBondContact O-N 2.93Å
544	K	62.7	Low	62	Low	112 Å²	112	59 Å²	59	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5	-178.7	-70.6	-174.5	173.9	-179.6	0	114.4	H540 W542 V546	H540-K544 VanDerWaalsContact CE1-CD 3.49Å; H540-K544 WeakPolarHBondContact CE1-CD 3.4Å; H540-K544 PolarHBondContact CE1-NZ 3.41Å; H540-K544 WeakPolarHBondContact NE2-CE 3.33Å; H540-K544 PolarHBondContact NE2-NZ 2.99Å; H540-K544 VanDerWaalsContact O-CB 3.31Å; H540-K544 WeakPolarHBondContact O-CB 3.26Å; H540-K544 WeakPolarHBondContact O-CG 3.4Å; H540-K544 PolarHBondContact O-N 3Å; H540-K544 VanDerWaalsContact O-N 3.11Å; W542-K544 PolarHBondContact O-N 2.99Å; K544-V546 HydrophobicContact CB-CG2 3.76Å; K544-V546 PolarHBondContact O-N 3.41Å
545	G	66.6	Low	61.6	Low	12 Å²	12	63.8 Å²	63.8	12%	0.124	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	43	-174.6	0	0	0	0	0	113	F505 G541 W542 V543	F505-G545 WeakPolarHBondContact CD2-O 3.4Å; G541-G545 PolarHBondContact O-N 3Å; W542-G545 PolarHBondContact O-N 2.91Å; W542-G545 VanDerWaalsContact O-N 3.17Å; V543-G545 PolarHBondContact O-N 2.93Å
546	V	69	Low	61.5	Low	48 Å²	48	67.3 Å²	67.3	29%	0.291	35%	0.35	S	S	.	.			trans	-84.1	139.4	178.8	177.5	0	0	0	0	109.4	Y509 G541 K544 S548 T550	Y509-V546 WeakPolarHBondContact CE2-O 3.3Å; Y509-V546 PolarHBondContact OH-O 2.97Å; G541-V546 PolarHBondContact O-N 3.41Å; K544-V546 HydrophobicContact CB-CG2 3.76Å; K544-V546 PolarHBondContact O-N 3.41Å; V546-S548 PolarHBondContact O-N 3.01Å; V546-T550 VanDerWaalsContact CG1-OG1 3.22Å; V546-T550 WeakPolarHBondContact CG1-OG1 3.37Å
547	P	68.5	Low	61.9	Low	35 Å²	35	61 Å²	61	23%	0.227	32%	0.321	C	S	.	.			trans	-54.8	127.9	179	-14.9	20.4	0	0	0	111.6	F505 E549 T550	F505-P547 HydrophobicContact CD1-CB 4.16Å; F505-P547 HydrophobicContact CE1-CB 3.67Å; F505-P547 HydrophobicContact CE1-CG 3.96Å; F505-P547 HydrophobicContact CE2-CB 4.35Å; F505-P547 HydrophobicContact CE2-CG 3.81Å; F505-P547 HydrophobicContact CZ-CB 3.76Å; F505-P547 HydrophobicContact CZ-CG 3.48Å; F505-P547 VanDerWaalsContact CZ-CG 3.48Å; P547-E549 PolarHBondContact O-N 3.12Å; P547-E549 VanDerWaalsContact O-N 3.11Å; P547-T550 HydrophobicContact CB-CG2 4.28Å; P547-T550 HydrophobicContact CG-CG2 4.4Å; P547-T550 PolarHBondContact O-N 2.81Å; P547-T550 PolarHBondContact O-OG1 3.28Å
548	S	64.8	Low	62	Low	4 Å²	4	59.9 Å²	59.9	3%	0.028	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.8	-175.7	65.3	0	0	0	0	113.2	V546 T550 V551 Q554	V546-S548 PolarHBondContact O-N 3.01Å; S548-T550 PolarHBondContact O-N 3.21Å; S548-V551 PolarHBondContact O-N 3.35Å; S548-Q554 PolarHBondContact O-OE1 3.27Å
549	E	66.3	Low	61.9	Low	126 Å²	126	61.7 Å²	61.7	59%	0.589	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18.9	177.5	-58.9	102.2	-165	0	0	113.4	K508 P547	K508-E549 IonicContact NZ-OE1 3.4Å; K508-E549 PolarHBondContact NZ-OE1 3.49Å; K508-E549 IonicContact NZ-OE2 3.71Å; P547-E549 PolarHBondContact O-N 3.12Å; P547-E549 VanDerWaalsContact O-N 3.11Å
550	T	61.3	Low	62.2	Low	86 Å²	86	61.1 Å²	61.1	53%	0.528	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-87	-8.2	178.7	62.3	0	0	0	0	113.3	V546 P547 S548 E552	V546-T550 VanDerWaalsContact CG1-OG1 3.22Å; V546-T550 WeakPolarHBondContact CG1-OG1 3.37Å; P547-T550 HydrophobicContact CB-CG2 4.28Å; P547-T550 HydrophobicContact CG-CG2 4.4Å; P547-T550 PolarHBondContact O-N 2.81Å; P547-T550 PolarHBondContact O-OG1 3.28Å; S548-T550 PolarHBondContact O-N 3.21Å; T550-E552 PolarHBondContact O-N 2.02Å
551	V	58.7	Low	62.4	Low	15 Å²	15	63.2 Å²	63.2	9%	0.091	35%	0.35	C	S	.	.			trans	-87.4	96.5	176.2	-175.7	0	0	0	0	107.6	M537 S548 S553 Q554	M537-V551 HydrophobicContact CB-CG1 3.69Å; S548-V551 PolarHBondContact O-N 3.35Å; V551-S553 PolarHBondContact O-N 2.84Å; V551-Q554 PolarHBondContact O-N 3.46Å
552	E	50	Low	62.1	Low	203 Å²	203	67.6 Å²	67.6	95%	0.949	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-15.9	-170.5	-69.9	-177.3	159.7	0	0	115.4	T550	T550-E552 PolarHBondContact O-N 2.02Å
553	S	52.1	Low	61.2	Low	57 Å²	57	71.6 Å²	71.6	40%	0.399	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	28	-175.5	52.4	0	0	0	0	114.5	P535 V551 I555	P535-S553 VanDerWaalsContact CB-OG 3.27Å; P535-S553 WeakPolarHBondContact CB-OG 3.41Å; P535-S553 WeakPolarHBondContact CG-O 3.45Å; V551-S553 PolarHBondContact O-N 2.84Å; S553-I555 PolarHBondContact O-N 3.28Å
554	Q	51.3	Low	60.9	Low	76 Å²	76	74.7 Å²	74.7	36%	0.355	43%	0.426	S	S	.	.			trans	-66.9	94.9	-173.5	-150.7	180	11.4	0	0	113.1	S548 V551 T556	S548-Q554 PolarHBondContact O-OE1 3.27Å; V551-Q554 PolarHBondContact O-N 3.46Å; Q554-T556 PolarHBondContact O-N 2.69Å
555	I	56.3	Low	60.3	Low	107 Å²	107	74.1 Å²	74.1	55%	0.549	43%	0.433	S	S	.	.			trans	-74.9	101.6	166.6	-56.3	173.7	0	0	0	107.6	S553 Q557	S553-I555 PolarHBondContact O-N 3.28Å; I555-Q557 PolarHBondContact O-N 3.45Å
556	T	62.6	Low	59.8	Low	99 Å²	99	79 Å²	79	61%	0.607	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-62.4	120.7	172.5	51.6	0	0	0	0	109.6	Q554	Q554-T556 PolarHBondContact O-N 2.69Å
557	Q	67.8	Low	59.7	Low	20 Å²	20	77.9 Å²	77.9	9%	0.093	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-74.5	148.6	-177.4	-66.6	-66.2	-38.7	0	0	110.9	E512 R515 L534 I555	E512-Q557 PolarHBondContact OE2-N 2.8Å; R515-Q557 HydrophobicContact CB-CB 3.51Å; R515-Q557 HydrophobicContact CB-CG 4.48Å; L534-Q557 HydrophobicContact CD2-CG 4.41Å; I555-Q557 PolarHBondContact O-N 3.45Å
558	P	64.5	Low	59.8	Low	80 Å²	80	76.7 Å²	76.7	52%	0.519	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-53.2	147.3	175.8	-18.7	23.9	0	0	0	112.2	N519	N519-P558 WeakPolarHBondContact ND2-CB 3.25Å; N519-P558 VanDerWaalsContact ND2-CD 3.31Å; N519-P558 WeakPolarHBondContact ND2-CD 3.45Å; N519-P558 VanDerWaalsContact ND2-CG 3.33Å; N519-P558 WeakPolarHBondContact ND2-CG 3.46Å
559	G	64.9	Low	60.2	Low	50 Å²	50	76.7 Å²	76.7	52%	0.515	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.9	153.7	176.7	0	0	0	0	0	112.7	M561	G559-M561 PolarHBondContact O-N 2.98Å
560	I	66.9	Low	60.8	Low	32 Å²	32	72.3 Å²	72.3	16%	0.164	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-71.7	123.6	176.8	-57.5	-171	0	0	0	109.3	L479 M480 M483 I514 R515 H518	L479-I560 HydrophobicContact CB-CD1 4.46Å; M480-I560 HydrophobicContact CE-CB 4.31Å; M480-I560 HydrophobicContact CE-CG2 3.56Å; M483-I560 HydrophobicContact CB-CD1 4.39Å; M483-I560 HydrophobicContact CG-CD1 3.24Å; M483-I560 HydrophobicContact CG-CG1 4.28Å; M483-I560 HydrophobicContact SD-CD1 4.23Å; I514-I560 HydrophobicContact CG2-CD1 3.56Å; R515-I560 HydrophobicContact CG-CG1 4.18Å; H518-I560 HydrophobicContact CB-CG1 4.39Å
561	M	65	Low	61.7	Low	129 Å²	129	68.7 Å²	68.7	64%	0.635	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-72	130.8	173.3	-64.8	-178.8	67	0	0	109.9	G559 T563	G559-M561 PolarHBondContact O-N 2.98Å; M561-T563 PolarHBondContact O-N 3.04Å
562	S	57.4	Low	62.7	Low	94 Å²	94	73 Å²	73	66%	0.657	42%	0.424	S	S	*	.			trans	-73.7	-10.8	-179	64.8	0	0	0	0	114.1	T564	S562-T564 PolarHBondContact O-N 3.38Å
563	T	50.5	Low	64.1	Low	96 Å²	96	66.4 Å²	66.4	59%	0.589	40%	0.395	S	S	*	.	S	Bend	trans	-73.8	97.7	-173.6	49.6	0	0	0	0	109.6	M561	M561-T563 PolarHBondContact O-N 3.04Å
564	T	52.2	Low	65.3	Low	88 Å²	88	63.7 Å²	63.7	54%	0.54	38%	0.376	S	S	.	.			trans	92.7	91.2	178.4	71.2	0	0	0	0	116	S562 N566	S562-T564 PolarHBondContact O-N 3.38Å; T564-N566 PolarHBondContact O-N 3.4Å
565	P	49.9	Very low	66.7	Low	99 Å²	99	65 Å²	65	64%	0.643	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	2.2	175.1	23.8	-31.7	0	0	0	115.7
566	N	55.4	Low	67.8	Low	115 Å²	115	65 Å²	65	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	41.3	-170.5	-63.9	-13	0	0	0	112.5	T564 V568	T564-N566 PolarHBondContact O-N 3.4Å; N566-V568 PolarHBondContact O-N 2.94Å
567	L	66.6	Low	68.4	Low	25 Å²	25	60.8 Å²	60.8	13%	0.131	35%	0.354	C	S	.	.	S	Bend	trans	-56.4	-38.6	178.3	-68.6	162.4	0	0	0	112.3	L521 Y522 K1162	L521-L567 HydrophobicContact CD2-CB 3.69Å; L521-L567 HydrophobicContact CD2-CD1 4.45Å; L521-L567 HydrophobicContact CD2-CG 4.48Å; Y522-L567 HydrophobicContact CE2-CD2 3.49Å; Y522-L567 VanDerWaalsContact CE2-CD2 3.49Å; Y522-L567 WeakPolarHBondContact OH-CD2 3.47Å; L567-K1162 WeakPolarHBondContact O-CD 3.39Å; L567-K1162 WeakPolarHBondContact O-CE 3.31Å; L567-K1162 PolarHBondContact O-NZ 2.81Å
568	V	72.1	Confident	68.9	Low	9 Å²	9	61 Å²	61	6%	0.055	36%	0.356	C	S	.	.	S	Bend	trans	-118.7	134.4	179.5	-178.7	0	0	0	0	108.3	L521 N566 S570 K1162 L1165 E1166	L521-V568 HydrophobicContact CD1-CG2 4.06Å; L521-V568 HydrophobicContact CD2-CG2 3.86Å; N566-V568 PolarHBondContact O-N 2.94Å; V568-S570 PolarHBondContact O-N 2.99Å; V568-S570 VanDerWaalsContact O-N 3.08Å; V568-K1162 HydrophobicContact CG2-CG 4.32Å; V568-L1165 HydrophobicContact CG1-CB 3.82Å; V568-L1165 HydrophobicContact CG2-CB 4.46Å; V568-L1165 HydrophobicContact CG2-CD1 4.22Å; V568-E1166 HydrophobicContact CG1-CG 3.68Å
569	M	72.6	Confident	69.5	Low	5 Å²	5	62.1 Å²	62.1	3%	0.025	36%	0.358	C	S	.	.			trans	-62.4	112.5	172.3	-68.3	-165.5	-61.8	0	0	111.1	L573 I574 L602 T603 L614 E1166 N1169	M569-L573 HydrophobicContact CB-CD2 4.4Å; M569-L573 HydrophobicContact CG-CD2 4.2Å; M569-I574 HydrophobicContact CB-CD1 4.29Å; M569-I574 HydrophobicContact CB-CG1 4.09Å; M569-L602 HydrophobicContact CE-CB 3.69Å; M569-L602 HydrophobicContact CE-CD1 3.41Å; M569-L602 VanDerWaalsContact CE-CD1 3.41Å; M569-L602 HydrophobicContact CE-CG 4.09Å; M569-L602 HydrophobicContact SD-CB 4.02Å; M569-T603 HydrophobicContact CG-CG2 4.27Å; M569-L614 HydrophobicContact CE-CD2 4.22Å; M569-E1166 HydrophobicContact CB-CG 4.37Å; M569-E1166 PolarHBondContact N-OE1 3.09Å; M569-N1169 PolarHBondContact O-ND2 2.92Å
570	S	78.1	Confident	69.6	Low	34 Å²	34	62.7 Å²	62.7	24%	0.238	35%	0.349	C	S	.	.			trans	-67.6	156.4	178.5	69.8	0	0	0	0	112.2	V568 D572 L573 I574	V568-S570 PolarHBondContact O-N 2.99Å; V568-S570 VanDerWaalsContact O-N 3.08Å; S570-D572 PolarHBondContact O-N 3.21Å; S570-L573 PolarHBondContact O-N 3.49Å; S570-L573 VanDerWaalsContact O-N 3.16Å; S570-L573 PolarHBondContact OG-N 2.83Å; S570-I574 WeakPolarHBondContact O-CG1 3.44Å; S570-I574 PolarHBondContact O-N 3.03Å
571	P	80.7	Confident	69.2	Low	9 Å²	9	67.6 Å²	67.6	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-53.8	-39.2	173.6	-26.7	35.3	0	0	0	113.2	I446 T476 I574 K575 N1169 L1172 V1173	I446-P571 HydrophobicContact CD1-CB 4.15Å; I446-P571 HydrophobicContact CG1-CB 4.39Å; T476-P571 HydrophobicContact CG2-CG 3.68Å; P571-I574 PolarHBondContact O-N 3.38Å; P571-K575 WeakPolarHBondContact O-CB 3.16Å; P571-K575 PolarHBondContact O-N 2.93Å; P571-N1169 HydrophobicContact CG-CB 4.13Å; P571-L1172 HydrophobicContact CG-CD1 4.32Å; P571-V1173 HydrophobicContact CB-CG2 3.68Å; P571-V1173 WeakPolarHBondContact O-CG2 3.34Å
572	D	80	Confident	68.6	Low	107 Å²	107	63.9 Å²	63.9	57%	0.572	36%	0.362	S	S	*	.	H	α-helix	trans	-65.4	-41.9	179.6	-65	-35.5	0	0	0	111.8	S570 K575 I576	S570-D572 PolarHBondContact O-N 3.21Å; D572-K575 PolarHBondContact O-N 3.49Å; D572-I576 VanDerWaalsContact O-CG1 3.28Å; D572-I576 WeakPolarHBondContact O-CG1 3.47Å; D572-I576 PolarHBondContact O-N 3.41Å
573	L	78.7	Confident	67.8	Low	64 Å²	64	65.1 Å²	65.1	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176.5	-177.5	66.3	0	0	0	111.5	M569 S570 K575 I576 I577	M569-L573 HydrophobicContact CB-CD2 4.4Å; M569-L573 HydrophobicContact CG-CD2 4.2Å; S570-L573 PolarHBondContact O-N 3.49Å; S570-L573 VanDerWaalsContact O-N 3.16Å; S570-L573 PolarHBondContact OG-N 2.83Å; L573-K575 VanDerWaalsContact C-N 3.28Å; L573-K575 PolarHBondContact O-N 3.03Å; L573-I576 PolarHBondContact O-N 2.89Å; L573-I577 HydrophobicContact CD1-CD1 4.42Å; L573-I577 HydrophobicContact CG-CD1 4.01Å; L573-I577 WeakPolarHBondContact O-CG1 3.36Å; L573-I577 PolarHBondContact O-N 3.07Å
574	I	78.4	Confident	67.2	Low	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-59.1	-43.2	175.7	-67.2	171.4	0	0	0	110	M569 S570 P571 I576 I577 L578 N1169 L1170 V1173	M569-I574 HydrophobicContact CB-CD1 4.29Å; M569-I574 HydrophobicContact CB-CG1 4.09Å; S570-I574 WeakPolarHBondContact O-CG1 3.44Å; S570-I574 PolarHBondContact O-N 3.03Å; P571-I574 PolarHBondContact O-N 3.38Å; I574-I576 PolarHBondContact O-N 2.95Å; I574-I577 PolarHBondContact O-N 3.12Å; I574-L578 HydrophobicContact CG2-CD1 3.83Å; I574-L578 HydrophobicContact CG2-CG 4.33Å; I574-L578 WeakPolarHBondContact O-CB 3.29Å; I574-L578 VanDerWaalsContact O-CG 3.3Å; I574-L578 WeakPolarHBondContact O-CG 3.35Å; I574-L578 PolarHBondContact O-N 3.43Å; I574-N1169 HydrophobicContact CD1-CB 3.75Å; I574-L1170 HydrophobicContact CD1-CB 4.36Å; I574-L1170 HydrophobicContact CG2-CD1 3.68Å; I574-V1173 HydrophobicContact CB-CG2 4.21Å; I574-V1173 HydrophobicContact CG2-CB 4.12Å; I574-V1173 HydrophobicContact CG2-CG1 4.22Å; I574-V1173 HydrophobicContact CG2-CG2 4.12Å
575	K	80.3	Confident	66.6	Low	102 Å²	102	70.5 Å²	70.5	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-40.9	177.9	-170.1	172.6	-178.5	177.3	0	112.2	P571 D572 L573 N579 V1173	P571-K575 WeakPolarHBondContact O-CB 3.16Å; P571-K575 PolarHBondContact O-N 2.93Å; D572-K575 PolarHBondContact O-N 3.49Å; L573-K575 VanDerWaalsContact C-N 3.28Å; L573-K575 PolarHBondContact O-N 3.03Å; K575-N579 VanDerWaalsContact O-CB 3.24Å; K575-N579 WeakPolarHBondContact O-CB 3.21Å; K575-N579 VanDerWaalsContact O-CG 3.32Å; K575-N579 PolarHBondContact O-N 2.89Å; K575-V1173 HydrophobicContact CB-CG1 3.74Å; K575-V1173 HydrophobicContact CG-CG1 4.12Å
576	I	78.4	Confident	65.9	Low	109 Å²	109	70.4 Å²	70.4	56%	0.559	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-49.4	174.7	-69	163.3	0	0	0	110.2	D572 L573 I574 L578 N579 D580	D572-I576 VanDerWaalsContact O-CG1 3.28Å; D572-I576 WeakPolarHBondContact O-CG1 3.47Å; D572-I576 PolarHBondContact O-N 3.41Å; L573-I576 PolarHBondContact O-N 2.89Å; I574-I576 PolarHBondContact O-N 2.95Å; I576-L578 VanDerWaalsContact C-N 3.34Å; I576-L578 PolarHBondContact O-N 3.17Å; I576-N579 CarbonylContact O-C 3.59Å; I576-N579 PolarHBondContact O-N 3.23Å; I576-D580 WeakPolarHBondContact O-CB 3.44Å; I576-D580 PolarHBondContact O-N 3.31Å
577	I	76.9	Confident	64.9	Low	9 Å²	9	73.2 Å²	73.2	5%	0.046	40%	0.396	C	S	.	.	H	α-helix	trans	-61.1	-42.9	-179.7	-64.9	161.9	0	0	0	111.4	L573 I574 I607 Q610 K611 L614	L573-I577 HydrophobicContact CD1-CD1 4.42Å; L573-I577 HydrophobicContact CG-CD1 4.01Å; L573-I577 WeakPolarHBondContact O-CG1 3.36Å; L573-I577 PolarHBondContact O-N 3.07Å; I574-I577 PolarHBondContact O-N 3.12Å; I577-I607 HydrophobicContact CG2-CG2 4.35Å; I577-Q610 HydrophobicContact CG2-CB 4.38Å; I577-K611 HydrophobicContact CG2-CB 4.06Å; I577-K611 WeakPolarHBondContact O-CD 3.37Å; I577-L614 HydrophobicContact CB-CD1 4.34Å; I577-L614 HydrophobicContact CD1-CD1 4.39Å; I577-L614 HydrophobicContact CG2-CD1 3.88Å
578	L	76.5	Confident	63.4	Low	26 Å²	26	79.2 Å²	79.2	14%	0.136	42%	0.423	C	S	.	.	H	α-helix	trans	-67.4	-39.5	178.8	-71.6	174.7	0	0	0	112.3	I574 I576 K611 L614 I615 L1170 V1173	I574-L578 HydrophobicContact CG2-CD1 3.83Å; I574-L578 HydrophobicContact CG2-CG 4.33Å; I574-L578 WeakPolarHBondContact O-CB 3.29Å; I574-L578 VanDerWaalsContact O-CG 3.3Å; I574-L578 WeakPolarHBondContact O-CG 3.35Å; I574-L578 PolarHBondContact O-N 3.43Å; I576-L578 VanDerWaalsContact C-N 3.34Å; I576-L578 PolarHBondContact O-N 3.17Å; L578-K611 VanDerWaalsContact O-CE 3.25Å; L578-K611 WeakPolarHBondContact O-CE 3.29Å; L578-K611 PolarHBondContact O-NZ 3.39Å; L578-L614 HydrophobicContact CD2-CB 4.02Å; L578-I615 HydrophobicContact CD2-CG1 3.77Å; L578-L1170 HydrophobicContact CD1-CD1 4.37Å; L578-V1173 HydrophobicContact CD1-CG1 4Å
579	N	77	Confident	61.8	Low	103 Å²	103	82.8 Å²	82.8	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-86.8	-3.8	-178.5	-70.9	-8.6	0	0	0	114.1	K575 I576 N581	K575-N579 VanDerWaalsContact O-CB 3.24Å; K575-N579 WeakPolarHBondContact O-CB 3.21Å; K575-N579 VanDerWaalsContact O-CG 3.32Å; K575-N579 PolarHBondContact O-N 2.89Å; I576-N579 CarbonylContact O-C 3.59Å; I576-N579 PolarHBondContact O-N 3.23Å; N579-N581 PolarHBondContact O-N 2.94Å
580	D	68.7	Low	60.3	Low	61 Å²	61	89.6 Å²	89.6	33%	0.326	49%	0.49	S	S	.	.			trans	-63.7	105.3	-177.3	-156.1	-10.2	0	0	0	109.5	I576 S582 K611	I576-D580 WeakPolarHBondContact O-CB 3.44Å; I576-D580 PolarHBondContact O-N 3.31Å; D580-S582 VanDerWaalsContact C-N 3.26Å; D580-S582 WeakPolarHBondContact OD1-CB 3.46Å; D580-S582 PolarHBondContact OD1-N 3.42Å; D580-K611 PolarHBondContact O-NZ 3.36Å
581	N	58	Low	58.3	Low	135 Å²	135	95 Å²	95	72%	0.722	52%	0.516	S	S	*	.			trans	-93.2	20	-178.6	-79.7	-17.4	0	0	0	111.2	N579 S583	N579-N581 PolarHBondContact O-N 2.94Å; N581-S583 PolarHBondContact O-N 3.37Å; N581-S583 PolarHBondContact O-OG 2.93Å; N581-S583 VanDerWaalsContact O-OG 3.04Å
582	S	51.5	Low	56.6	Low	51 Å²	51	97.7 Å²	97.7	36%	0.357	55%	0.546	S	S	.	.			trans	-58	79.2	172.9	66.3	0	0	0	0	110.4	D580 Q584 F585	D580-S582 VanDerWaalsContact C-N 3.26Å; D580-S582 WeakPolarHBondContact OD1-CB 3.46Å; D580-S582 PolarHBondContact OD1-N 3.42Å; S582-Q584 PolarHBondContact O-N 3.24Å; S582-F585 WeakPolarHBondContact OG-CE2 3.19Å
583	S	41.6	Very low	54.9	Low	120 Å²	120	98 Å²	98	84%	0.839	55%	0.547	S	S	*	.			trans	-76.2	24.2	174.1	37	0	0	0	0	110.9	N581	N581-S583 PolarHBondContact O-N 3.37Å; N581-S583 PolarHBondContact O-OG 2.93Å; N581-S583 VanDerWaalsContact O-OG 3.04Å
584	Q	37.6	Very low	53.7	Low	174 Å²	174	103.5 Å²	103.5	81%	0.813	57%	0.571	S	S	*	*			trans	-133.2	45.9	177.2	-70.2	-174.7	-13.9	0	0	110.1	S582 P586	S582-Q584 PolarHBondContact O-N 3.24Å; Q584-P586 WeakPolarHBondContact O-CD 2.85Å
585	F	40.3	Very low	52.5	Low	124 Å²	124	105.6 Å²	105.6	54%	0.544	59%	0.585	S	S	.	*	S	Bend	trans	-78	106.1	146	-72.3	-73.1	0	0	0	104.6	S582 N587	S582-F585 WeakPolarHBondContact OG-CE2 3.19Å; F585-N587 PolarHBondContact O-N 3.44Å
586	P	35.6	Very low	51.1	Low	97 Å²	97	105.7 Å²	105.7	63%	0.63	59%	0.59	S	S	*	*			trans	-56.3	146.8	-177.2	27.3	-32.5	0	0	0	107	Q584 Q588	Q584-P586 WeakPolarHBondContact O-CD 2.85Å; P586-Q588 PolarHBondContact O-N 3.4Å
587	N	34.3	Very low	49.6	Very low	174 Å²	174	109.2 Å²	109.2	93%	0.93	60%	0.604	S	S	*	*			trans	-52.5	63.6	175.4	-71.5	-29.5	0	0	0	112.8	F585 S589	F585-N587 PolarHBondContact O-N 3.44Å; N587-S589 PolarHBondContact O-N 2.9Å
588	Q	34.5	Very low	48	Very low	151 Å²	151	117.7 Å²	117.7	71%	0.706	64%	0.641	S	S	*	*			trans	-73.7	88.2	156.8	-75.5	-172.1	-13.2	0	0	103.6	P586 T590	P586-Q588 PolarHBondContact O-N 3.4Å; Q588-T590 PolarHBondContact O-N 3.25Å
589	S	37.5	Very low	46.1	Very low	84 Å²	84	118.3 Å²	118.3	59%	0.587	65%	0.648	S	S	*	*			trans	12.8	110.7	157.4	53.4	0	0	0	0	113.7	N587 N591	N587-S589 PolarHBondContact O-N 2.9Å; S589-N591 PolarHBondContact O-N 2.87Å
590	T	40.9	Very low	44.5	Very low	147 Å²	147	115.3 Å²	115.3	90%	0.902	63%	0.63	S	S	*	*	S	Bend	trans	-55.6	11.9	169.7	38.6	0	0	0	0	115.1	Q588	Q588-T590 PolarHBondContact O-N 3.25Å
591	N	37.8	Very low	43.2	Very low	147 Å²	147	117.1 Å²	117.1	79%	0.786	64%	0.639	S	S	*	*	S	Bend	trans	-102.1	91.9	171.3	-68	-6.1	0	0	0	108.9	S589	S589-N591 PolarHBondContact O-N 2.87Å
592	G	44.4	Very low	42.8	Very low	67 Å²	67	111.1 Å²	111.1	69%	0.691	61%	0.607	S	S	*	*	S	Bend	trans	128.6	7.7	156	0	0	0	0	0	118.8	E594	G592-E594 PolarHBondContact O-N 3.42Å
593	I	44.7	Very low	43	Very low	112 Å²	112	112.6 Å²	112.6	57%	0.574	61%	0.613	S	S	*	*			trans	-87.3	85.7	166.8	-52.3	177.4	0	0	0	108	C595	I593-C595 PolarHBondContact O-N 3.48Å
594	E	53.1	Low	43.6	Very low	181 Å²	181	110.8 Å²	110.8	85%	0.846	60%	0.601	S	S	*	*			trans	-68	96.4	169.1	-74.5	-177.3	168.6	0	0	108.9	G592 N596	G592-E594 PolarHBondContact O-N 3.42Å; E594-N596 PolarHBondContact O-N 2.92Å
595	C	52.4	Low	44.7	Very low	44 Å²	44	104.4 Å²	104.4	30%	0.297	57%	0.571	S	S	.	*			trans	-62.6	111.6	163.6	-66.1	0	0	0	0	107.1	I593 Q597 C609	I593-C595 PolarHBondContact O-N 3.48Å; C595-Q597 PolarHBondContact O-N 3.38Å; C595-C609 VanDerWaalsContact CA-SG 3.58Å; C595-C609 HydrophobicContact CB-CB 3.86Å; C595-C609 WeakPolarHBondContact CB-SG 3.02Å; C595-C609 WeakPolarHBondContact SG-CB 3.14Å; C595-C609 CovalentContact SG-SG 2.05Å; C595-C609 PolarHBondContact SG-SG 3Å
596	N	51.6	Low	45.9	Very low	103 Å²	103	102 Å²	102	55%	0.551	57%	0.568	S	S	*	*			trans	-69.3	95.6	-177	-161.3	-10.9	0	0	0	109.2	E594 K598 S599	E594-N596 PolarHBondContact O-N 2.92Å; N596-K598 PolarHBondContact O-N 3.38Å; N596-S599 PolarHBondContact O-N 3.38Å
597	Q	47.6	Very low	47.5	Very low	183 Å²	183	101.4 Å²	101.4	86%	0.855	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-20.4	-174.1	-72.4	-179.2	-15.7	0	0	113.4	C595	C595-Q597 PolarHBondContact O-N 3.38Å
598	K	42.1	Very low	49.1	Very low	187 Å²	187	99.2 Å²	99.2	81%	0.813	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.8	-173.9	-67.8	-173.5	176.9	-176.8	0	115.3	N596 F600	N596-K598 PolarHBondContact O-N 3.38Å; K598-F600 PolarHBondContact O-N 2.83Å
599	S	37.3	Very low	50.6	Low	40 Å²	40	92.4 Å²	92.4	28%	0.28	51%	0.507	S	S	.	.			trans	-94.7	97	-179.3	77.4	0	0	0	0	111.3	N596 L601 Q605	N596-S599 PolarHBondContact O-N 3.38Å; S599-L601 PolarHBondContact O-N 3.37Å; S599-L601 VanDerWaalsContact O-N 3.09Å; S599-Q605 PolarHBondContact OG-NE2 3.34Å
600	F	43	Very low	52.1	Low	39 Å²	39	89.3 Å²	89.3	17%	0.171	48%	0.483	C	S	.	.			trans	-62.3	-11.9	174.7	-163.9	-84.8	0	0	0	113.8	K598 L602 Y613 L617 H1163 F1167	K598-F600 PolarHBondContact O-N 2.83Å; F600-L602 PolarHBondContact O-N 3.36Å; F600-Y613 HydrophobicContact CD2-CE1 4.13Å; F600-Y613 AromaticContact CD2-CZ 3.91Å; F600-Y613 WeakPolarHBondContact CD2-OH 3.46Å; F600-Y613 AromaticContact CE2-CE1 3.93Å; F600-Y613 HydrophobicContact CE2-CE1 3.93Å; F600-Y613 AromaticContact CE2-CZ 3.92Å; F600-Y613 WeakPolarHBondContact CE2-OH 3.41Å; F600-L617 HydrophobicContact CE2-CD1 4.41Å; F600-H1163 AromaticContact CD1-CD2 3.12Å; F600-H1163 WeakPolarHBondContact CD1-CD2 3.46Å; F600-H1163 AromaticContact CD1-NE2 3.62Å; F600-H1163 HydrophobicContact CE1-CB 4.28Å; F600-H1163 AromaticContact CE1-CD2 3.35Å; F600-H1163 WeakPolarHBondContact CE1-CD2 3.39Å; F600-H1163 AromaticContact CG-CD2 3.98Å; F600-F1167 HydrophobicContact CD2-CZ 4.46Å; F600-F1167 HydrophobicContact CE1-CZ 4.28Å; F600-F1167 AromaticContact CE2-CE1 3.52Å; F600-F1167 HydrophobicContact CE2-CE1 3.52Å; F600-F1167 HydrophobicContact CE2-CE2 4.24Å; F600-F1167 AromaticContact CE2-CZ 3.24Å; F600-F1167 HydrophobicContact CE2-CZ 3.24Å; F600-F1167 HydrophobicContact CZ-CD1 4.16Å; F600-F1167 AromaticContact CZ-CE1 3.32Å; F600-F1167 HydrophobicContact CZ-CE1 3.32Å; F600-F1167 AromaticContact CZ-CE2 3.82Å; F600-F1167 HydrophobicContact CZ-CE2 3.82Å; F600-F1167 AromaticContact CZ-CZ 3.13Å; F600-F1167 HydrophobicContact CZ-CZ 3.13Å
601	L	41.7	Very low	53.6	Low	100 Å²	100	84.9 Å²	84.9	52%	0.524	45%	0.451	S	S	.	.			trans	-69.3	73.9	175.8	-73.4	164.7	0	0	0	111.2	S599 T603 S604	S599-L601 PolarHBondContact O-N 3.37Å; S599-L601 VanDerWaalsContact O-N 3.09Å; L601-T603 PolarHBondContact O-N 3.31Å; L601-T603 VanDerWaalsContact O-N 3.09Å; L601-S604 PolarHBondContact O-N 3.49Å; L601-S604 PolarHBondContact O-OG 3.07Å
602	L	50.1	Low	55	Low	9 Å²	9	80.9 Å²	80.9	5%	0.047	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-48.6	-40.1	-178.3	-80.8	155.8	0	0	0	111.4	M569 F600 S604 Q605 Q610 Y613 L614	M569-L602 HydrophobicContact CE-CB 3.69Å; M569-L602 HydrophobicContact CE-CD1 3.41Å; M569-L602 VanDerWaalsContact CE-CD1 3.41Å; M569-L602 HydrophobicContact CE-CG 4.09Å; M569-L602 HydrophobicContact SD-CB 4.02Å; F600-L602 PolarHBondContact O-N 3.36Å; L602-S604 PolarHBondContact O-N 2.71Å; L602-Q605 PolarHBondContact O-N 2.98Å; L602-Q605 VanDerWaalsContact O-N 3.08Å; L602-Q610 HydrophobicContact CD2-CB 4.16Å; L602-Q610 HydrophobicContact CD2-CG 4.21Å; L602-Q610 WeakPolarHBondContact O-CG 3.39Å; L602-Q610 PolarHBondContact O-NE2 3.21Å; L602-Y613 HydrophobicContact CD1-CD1 3.85Å; L602-Y613 HydrophobicContact CD1-CE1 3.91Å; L602-Y613 HydrophobicContact CD2-CD1 3.42Å; L602-Y613 VanDerWaalsContact CD2-CD1 3.42Å; L602-Y613 HydrophobicContact CD2-CE1 4.19Å; L602-Y613 HydrophobicContact CD2-CG 4.11Å; L602-Y613 HydrophobicContact CG-CD1 3.97Å; L602-Y613 HydrophobicContact CG-CE1 4.25Å; L602-L614 HydrophobicContact CD1-CD2 4.13Å
603	T	54.5	Low	56	Low	81 Å²	81	80.8 Å²	80.8	50%	0.497	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-61	-19.2	-178.5	57.7	0	0	0	0	115	M569 L601	M569-T603 HydrophobicContact CG-CG2 4.27Å; L601-T603 PolarHBondContact O-N 3.31Å; L601-T603 VanDerWaalsContact O-N 3.09Å
604	S	54.4	Low	57.2	Low	83 Å²	83	75.6 Å²	75.6	58%	0.58	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-95	-14.8	179.2	65.8	0	0	0	0	114.1	L601 L602	L601-S604 PolarHBondContact O-N 3.49Å; L601-S604 PolarHBondContact O-OG 3.07Å; L602-S604 PolarHBondContact O-N 2.71Å
605	Q	61	Low	57.9	Low	40 Å²	40	70.3 Å²	70.3	19%	0.187	36%	0.359	C	S	.	.	S	Bend	trans	-84.8	154.2	-177.1	-71.3	-67.6	-26.7	0	0	111.2	S599 L602 C609 Q610	S599-Q605 PolarHBondContact OG-NE2 3.34Å; L602-Q605 PolarHBondContact O-N 2.98Å; L602-Q605 VanDerWaalsContact O-N 3.08Å; Q605-C609 HydrophobicContact CB-CB 4.29Å; Q605-Q610 HydrophobicContact CB-CG 4.06Å; Q605-Q610 PolarHBondContact O-NE2 3.18Å
606	P	65.3	Low	58.4	Low	72 Å²	72	74.1 Å²	74.1	47%	0.468	37%	0.373	S	S	.	.			trans	-56.5	144.5	170.2	-20.6	31.4	0	0	0	111.2	Y608 C609 Q610	P606-Y608 PolarHBondContact O-N 2.66Å; P606-C609 PolarHBondContact O-N 3.41Å; P606-Q610 PolarHBondContact O-N 2.86Å
607	I	68.6	Low	59.1	Low	85 Å²	85	70.5 Å²	70.5	44%	0.436	35%	0.353	S	S	.	.	H	α-helix	trans	-51.5	-36.8	-178.3	-63.9	170.7	0	0	0	111.7	I577 Q610 K611	I577-I607 HydrophobicContact CG2-CG2 4.35Å; I607-Q610 WeakPolarHBondContact O-CB 3.32Å; I607-Q610 PolarHBondContact O-N 2.88Å; I607-K611 WeakPolarHBondContact O-CB 3.49Å; I607-K611 PolarHBondContact O-N 2.89Å
608	Y	69	Low	60.2	Low	129 Å²	129	64.6 Å²	64.6	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-48.3	175	178.3	-98.3	0	0	0	113.3	P606 K611 I612	P606-Y608 PolarHBondContact O-N 2.66Å; Y608-K611 PolarHBondContact O-N 3.19Å; Y608-I612 HydrophobicContact CD1-CD1 4.04Å; Y608-I612 HydrophobicContact CE1-CD1 3.4Å; Y608-I612 HydrophobicContact CE1-CG1 4.5Å; Y608-I612 HydrophobicContact CE2-CD1 4.33Å; Y608-I612 PolarHBondContact O-N 2.98Å
609	C	66.6	Low	61.4	Low	8 Å²	8	60.3 Å²	60.3	5%	0.054	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-38.4	176.9	-67.1	0	0	0	0	111.4	C595 Q605 P606 K611 I612 Y613	C595-C609 VanDerWaalsContact CA-SG 3.58Å; C595-C609 HydrophobicContact CB-CB 3.86Å; C595-C609 WeakPolarHBondContact CB-SG 3.02Å; C595-C609 WeakPolarHBondContact SG-CB 3.14Å; C595-C609 CovalentContact SG-SG 2.05Å; C595-C609 PolarHBondContact SG-SG 3Å; Q605-C609 HydrophobicContact CB-CB 4.29Å; P606-C609 PolarHBondContact O-N 3.41Å; C609-K611 VanDerWaalsContact C-N 3.31Å; C609-K611 PolarHBondContact O-N 3.16Å; C609-I612 PolarHBondContact O-N 3.13Å; C609-Y613 WeakPolarHBondContact O-CB 2.81Å; C609-Y613 PolarHBondContact O-N 3.25Å; C609-Y613 VanDerWaalsContact O-N 3.09Å
610	Q	68.1	Low	62.7	Low	18 Å²	18	60.8 Å²	60.8	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-45.1	173.8	-62.7	177.2	10.3	0	0	110.9	I577 L602 Q605 P606 I607 Y613 L614	I577-Q610 HydrophobicContact CG2-CB 4.38Å; L602-Q610 HydrophobicContact CD2-CB 4.16Å; L602-Q610 HydrophobicContact CD2-CG 4.21Å; L602-Q610 WeakPolarHBondContact O-CG 3.39Å; L602-Q610 PolarHBondContact O-NE2 3.21Å; Q605-Q610 HydrophobicContact CB-CG 4.06Å; Q605-Q610 PolarHBondContact O-NE2 3.18Å; P606-Q610 PolarHBondContact O-N 2.86Å; I607-Q610 WeakPolarHBondContact O-CB 3.32Å; I607-Q610 PolarHBondContact O-N 2.88Å; Q610-Y613 PolarHBondContact O-N 2.99Å; Q610-L614 WeakPolarHBondContact O-CB 3.27Å; Q610-L614 WeakPolarHBondContact O-CG 3.47Å; Q610-L614 PolarHBondContact O-N 3.06Å
611	K	72.5	Confident	63.7	Low	54 Å²	54	59.3 Å²	59.3	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-47.3	179.9	-173.1	175.9	-174.9	174.3	0	112.2	I577 L578 D580 I607 Y608 C609 Y613 L614 I615	I577-K611 HydrophobicContact CG2-CB 4.06Å; I577-K611 WeakPolarHBondContact O-CD 3.37Å; L578-K611 VanDerWaalsContact O-CE 3.25Å; L578-K611 WeakPolarHBondContact O-CE 3.29Å; L578-K611 PolarHBondContact O-NZ 3.39Å; D580-K611 PolarHBondContact O-NZ 3.36Å; I607-K611 WeakPolarHBondContact O-CB 3.49Å; I607-K611 PolarHBondContact O-N 2.89Å; Y608-K611 PolarHBondContact O-N 3.19Å; C609-K611 VanDerWaalsContact C-N 3.31Å; C609-K611 PolarHBondContact O-N 3.16Å; K611-Y613 VanDerWaalsContact C-N 3.34Å; K611-Y613 PolarHBondContact O-N 2.85Å; K611-L614 PolarHBondContact O-N 3.27Å; K611-I615 HydrophobicContact CG-CD1 3.92Å; K611-I615 VanDerWaalsContact O-CG1 3.24Å; K611-I615 WeakPolarHBondContact O-CG1 3.24Å; K611-I615 PolarHBondContact O-N 3.43Å
612	I	67.5	Low	65	Low	64 Å²	64	55.3 Å²	55.3	33%	0.328	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-48.9	177.5	-67.8	172.6	0	0	0	110.5	Y608 C609 I615 Q616	Y608-I612 HydrophobicContact CD1-CD1 4.04Å; Y608-I612 HydrophobicContact CE1-CD1 3.4Å; Y608-I612 HydrophobicContact CE1-CG1 4.5Å; Y608-I612 HydrophobicContact CE2-CD1 4.33Å; Y608-I612 PolarHBondContact O-N 2.98Å; C609-I612 PolarHBondContact O-N 3.13Å; I612-I615 PolarHBondContact O-N 2.72Å; I612-Q616 PolarHBondContact O-N 3.38Å; I612-Q616 VanDerWaalsContact O-N 3.08Å
613	Y	64.9	Low	65.8	Low	64 Å²	64	57 Å²	57	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-44.7	-178.5	-173.1	-103.3	0	0	0	112.4	F600 L602 C609 Q610 K611 I615 Q616 L617	F600-Y613 HydrophobicContact CD2-CE1 4.13Å; F600-Y613 AromaticContact CD2-CZ 3.91Å; F600-Y613 WeakPolarHBondContact CD2-OH 3.46Å; F600-Y613 AromaticContact CE2-CE1 3.93Å; F600-Y613 HydrophobicContact CE2-CE1 3.93Å; F600-Y613 AromaticContact CE2-CZ 3.92Å; F600-Y613 WeakPolarHBondContact CE2-OH 3.41Å; L602-Y613 HydrophobicContact CD1-CD1 3.85Å; L602-Y613 HydrophobicContact CD1-CE1 3.91Å; L602-Y613 HydrophobicContact CD2-CD1 3.42Å; L602-Y613 VanDerWaalsContact CD2-CD1 3.42Å; L602-Y613 HydrophobicContact CD2-CE1 4.19Å; L602-Y613 HydrophobicContact CD2-CG 4.11Å; L602-Y613 HydrophobicContact CG-CD1 3.97Å; L602-Y613 HydrophobicContact CG-CE1 4.25Å; C609-Y613 WeakPolarHBondContact O-CB 2.81Å; C609-Y613 PolarHBondContact O-N 3.25Å; C609-Y613 VanDerWaalsContact O-N 3.09Å; Q610-Y613 PolarHBondContact O-N 2.99Å; K611-Y613 VanDerWaalsContact C-N 3.34Å; K611-Y613 PolarHBondContact O-N 2.85Å; Y613-I615 VanDerWaalsContact C-N 3.31Å; Y613-I615 PolarHBondContact O-N 3.26Å; Y613-Q616 PolarHBondContact O-N 3.44Å; Y613-L617 HydrophobicContact CD1-CD1 3.59Å; Y613-L617 HydrophobicContact CD1-CG 4.23Å; Y613-L617 HydrophobicContact CE1-CD1 3.06Å; Y613-L617 HydrophobicContact CE1-CG 3.85Å; Y613-L617 HydrophobicContact CE2-CD1 4.46Å; Y613-L617 HydrophobicContact CE2-CG 4.44Å; Y613-L617 WeakPolarHBondContact O-CB 3.33Å; Y613-L617 PolarHBondContact O-N 3.37Å
614	L	69.4	Low	66.2	Low	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-36.4	177.3	-71.4	173.5	0	0	0	112.1	M569 I577 L578 L602 Q610 K611 K618 L1170	M569-L614 HydrophobicContact CE-CD2 4.22Å; I577-L614 HydrophobicContact CB-CD1 4.34Å; I577-L614 HydrophobicContact CD1-CD1 4.39Å; I577-L614 HydrophobicContact CG2-CD1 3.88Å; L578-L614 HydrophobicContact CD2-CB 4.02Å; L602-L614 HydrophobicContact CD1-CD2 4.13Å; Q610-L614 WeakPolarHBondContact O-CB 3.27Å; Q610-L614 WeakPolarHBondContact O-CG 3.47Å; Q610-L614 PolarHBondContact O-N 3.06Å; K611-L614 PolarHBondContact O-N 3.27Å; L614-K618 WeakPolarHBondContact O-CB 3.49Å; L614-K618 PolarHBondContact O-N 2.99Å; L614-L1170 HydrophobicContact CB-CD1 4.38Å; L614-L1170 HydrophobicContact CD2-CD1 4.05Å; L614-L1170 HydrophobicContact CD2-CD2 4.05Å
615	I	68.3	Low	66.8	Low	71 Å²	71	49.7 Å²	49.7	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-45.7	176.1	-70.6	166.8	0	0	0	110.9	L578 K611 I612 Y613 K618 N619	L578-I615 HydrophobicContact CD2-CG1 3.77Å; K611-I615 HydrophobicContact CG-CD1 3.92Å; K611-I615 VanDerWaalsContact O-CG1 3.24Å; K611-I615 WeakPolarHBondContact O-CG1 3.24Å; K611-I615 PolarHBondContact O-N 3.43Å; I612-I615 PolarHBondContact O-N 2.72Å; Y613-I615 VanDerWaalsContact C-N 3.31Å; Y613-I615 PolarHBondContact O-N 3.26Å; I615-K618 PolarHBondContact O-N 3.5Å; I615-N619 VanDerWaalsContact O-CG 3.31Å; I615-N619 PolarHBondContact O-N 3.5Å
616	Q	63.9	Low	67	Low	124 Å²	124	50.4 Å²	50.4	58%	0.579	25%	0.247	S	C	*	.	H	α-helix	trans	-61.8	-49.3	178.2	-72.9	178.8	-20.2	0	0	111.4	I612 Y613 K618 N619 Y620	I612-Q616 PolarHBondContact O-N 3.38Å; I612-Q616 VanDerWaalsContact O-N 3.08Å; Y613-Q616 PolarHBondContact O-N 3.44Å; Q616-K618 PolarHBondContact O-N 2.83Å; Q616-N619 PolarHBondContact O-N 2.95Å; Q616-Y620 PolarHBondContact O-N 3.37Å; Q616-Y620 VanDerWaalsContact O-N 3.07Å
617	L	65.5	Low	67	Low	26 Å²	26	47.4 Å²	47.4	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-42.8	175.9	-80.9	-179.6	0	0	0	112.4	F600 Y613 N619 Y620 L621 F1167 L1170	F600-L617 HydrophobicContact CE2-CD1 4.41Å; Y613-L617 HydrophobicContact CD1-CD1 3.59Å; Y613-L617 HydrophobicContact CD1-CG 4.23Å; Y613-L617 HydrophobicContact CE1-CD1 3.06Å; Y613-L617 HydrophobicContact CE1-CG 3.85Å; Y613-L617 HydrophobicContact CE2-CD1 4.46Å; Y613-L617 HydrophobicContact CE2-CG 4.44Å; Y613-L617 WeakPolarHBondContact O-CB 3.33Å; Y613-L617 PolarHBondContact O-N 3.37Å; L617-N619 VanDerWaalsContact C-N 3.31Å; L617-N619 PolarHBondContact O-N 2.74Å; L617-Y620 PolarHBondContact O-N 3.25Å; L617-L621 WeakPolarHBondContact O-CB 3.4Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.42Å; L617-L621 PolarHBondContact O-N 3.45Å; L617-F1167 HydrophobicContact CD1-CD1 4.33Å; L617-F1167 HydrophobicContact CD1-CE1 3.8Å; L617-F1167 HydrophobicContact CD2-CE1 4.02Å; L617-L1170 HydrophobicContact CB-CD2 3.59Å; L617-L1170 HydrophobicContact CD1-CD2 4.3Å
618	K	70.3	Confident	66.6	Low	59 Å²	59	43.3 Å²	43.3	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-54.3	-49.4	176.8	160.8	170.3	174.7	174.7	0	110.8	L614 I615 Q616 Y620 L621 C622 L1170 S1174	L614-K618 WeakPolarHBondContact O-CB 3.49Å; L614-K618 PolarHBondContact O-N 2.99Å; I615-K618 PolarHBondContact O-N 3.5Å; Q616-K618 PolarHBondContact O-N 2.83Å; K618-Y620 VanDerWaalsContact C-N 3.34Å; K618-L621 PolarHBondContact O-N 2.84Å; K618-C622 WeakPolarHBondContact O-CB 3.21Å; K618-C622 PolarHBondContact O-N 3.37Å; K618-C622 PolarHBondContact O-SG 2.86Å; K618-C622 VanDerWaalsContact O-SG 3.41Å; K618-L1170 HydrophobicContact CB-CD1 4.2Å; K618-L1170 HydrophobicContact CB-CD2 4.46Å; K618-L1170 HydrophobicContact CB-CG 4.37Å; K618-S1174 WeakPolarHBondContact CE-O 3.48Å; K618-S1174 PolarHBondContact NZ-O 3.39Å
619	N	67.4	Low	66.1	Low	98 Å²	98	37.8 Å²	37.8	52%	0.524	19%	0.188	S	C	.	.	H	α-helix	trans	-64.7	-41.2	-178.5	-69.3	-13.5	0	0	0	111.5	I615 Q616 L617 N623	I615-N619 VanDerWaalsContact O-CG 3.31Å; I615-N619 PolarHBondContact O-N 3.5Å; Q616-N619 PolarHBondContact O-N 2.95Å; L617-N619 VanDerWaalsContact C-N 3.31Å; L617-N619 PolarHBondContact O-N 2.74Å; N619-N623 WeakPolarHBondContact O-CB 3.2Å; N619-N623 PolarHBondContact O-N 3.24Å
620	Y	63.9	Low	65.8	Low	49 Å²	49	39.1 Å²	39.1	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-56	175.1	177.9	-103.1	0	0	0	111.7	Q616 L617 K618 C622 N623 V624 L878 E882	Q616-Y620 PolarHBondContact O-N 3.37Å; Q616-Y620 VanDerWaalsContact O-N 3.07Å; L617-Y620 PolarHBondContact O-N 3.25Å; K618-Y620 VanDerWaalsContact C-N 3.34Å; Y620-C622 VanDerWaalsContact C-N 3.31Å; Y620-C622 PolarHBondContact O-N 3.21Å; Y620-N623 WeakPolarHBondContact O-CB 3.26Å; Y620-N623 PolarHBondContact O-N 2.99Å; Y620-N623 VanDerWaalsContact O-N 3.07Å; Y620-V624 HydrophobicContact CD1-CG2 4.42Å; Y620-V624 HydrophobicContact CD2-CG2 4.48Å; Y620-V624 HydrophobicContact CE1-CG2 4.06Å; Y620-V624 HydrophobicContact CE2-CG2 4.1Å; Y620-V624 WeakPolarHBondContact O-CG2 3.17Å; Y620-V624 PolarHBondContact O-N 3.28Å; Y620-L878 HydrophobicContact CD2-CD1 4.06Å; Y620-L878 HydrophobicContact CD2-CG 4.4Å; Y620-L878 HydrophobicContact CE2-CD1 3.84Å; Y620-L878 HydrophobicContact CE2-CD2 3.63Å; Y620-L878 HydrophobicContact CE2-CG 3.75Å; Y620-E882 HydrophobicContact CE2-CG 3.93Å; Y620-E882 WeakPolarHBondContact CE2-OE1 3.41Å; Y620-E882 VanDerWaalsContact OH-CD 3.24Å; Y620-E882 VanDerWaalsContact OH-CG 3.28Å; Y620-E882 WeakPolarHBondContact OH-CG 3.22Å; Y620-E882 PolarHBondContact OH-OE1 3.22Å
621	L	65.6	Low	65.2	Low	8 Å²	8	38.8 Å²	38.8	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-39.9	-178.4	-64.8	170.7	0	0	0	112	L617 K618 V624 S625 L654 F1167 L1170	L617-L621 WeakPolarHBondContact O-CB 3.4Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.42Å; L617-L621 PolarHBondContact O-N 3.45Å; K618-L621 PolarHBondContact O-N 2.84Å; L621-V624 PolarHBondContact O-N 3.26Å; L621-S625 VanDerWaalsContact O-CB 3.26Å; L621-S625 WeakPolarHBondContact O-CB 3.12Å; L621-S625 PolarHBondContact O-N 3.02Å; L621-L654 HydrophobicContact CB-CD1 4.27Å; L621-L654 HydrophobicContact CD2-CD1 3.84Å; L621-L654 HydrophobicContact CD2-CD2 4.25Å; L621-F1167 HydrophobicContact CD1-CD1 4.32Å; L621-L1170 HydrophobicContact CD1-CD2 3.99Å; L621-L1170 HydrophobicContact CD1-CG 4.37Å
622	C	68.5	Low	64.3	Low	16 Å²	16	37.3 Å²	37.3	11%	0.108	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-40.9	175.5	-76.3	0	0	0	0	112.3	K618 Y620 N626 C1176	K618-C622 WeakPolarHBondContact O-CB 3.21Å; K618-C622 PolarHBondContact O-N 3.37Å; K618-C622 PolarHBondContact O-SG 2.86Å; K618-C622 VanDerWaalsContact O-SG 3.41Å; Y620-C622 VanDerWaalsContact C-N 3.31Å; Y620-C622 PolarHBondContact O-N 3.21Å; C622-N626 VanDerWaalsContact O-CB 3.3Å; C622-N626 WeakPolarHBondContact O-CB 3.31Å; C622-N626 PolarHBondContact O-N 3.42Å; C622-N626 PolarHBondContact O-ND2 3.05Å; C622-C1176 WeakPolarHBondContact CA-SG 3.38Å; C622-C1176 HydrophobicContact CB-CB 3.75Å; C622-C1176 WeakPolarHBondContact CB-SG 3.5Å; C622-C1176 WeakPolarHBondContact SG-CB 3.11Å; C622-C1176 CovalentContact SG-SG 2.04Å; C622-C1176 PolarHBondContact SG-SG 3.36Å
623	N	66.2	Low	63.5	Low	45 Å²	45	37.3 Å²	37.3	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-51.7	176.7	-166.3	8	0	0	0	110.3	N619 Y620 S625 N626 Q627 L878	N619-N623 WeakPolarHBondContact O-CB 3.2Å; N619-N623 PolarHBondContact O-N 3.24Å; Y620-N623 WeakPolarHBondContact O-CB 3.26Å; Y620-N623 PolarHBondContact O-N 2.99Å; Y620-N623 VanDerWaalsContact O-N 3.07Å; N623-S625 PolarHBondContact O-N 3.41Å; N623-N626 PolarHBondContact O-N 2.86Å; N623-Q627 VanDerWaalsContact O-CG 3.28Å; N623-Q627 WeakPolarHBondContact O-CG 3.44Å; N623-Q627 PolarHBondContact O-N 3.06Å; N623-Q627 PolarHBondContact OD1-NE2 2.68Å; N623-L878 HydrophobicContact CB-CD1 4.12Å
624	V	63.6	Low	62.7	Low	4 Å²	4	37.5 Å²	37.5	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-47.7	-179.8	-170	0	0	0	0	111.9	Y620 L621 N626 Q627 I628 A657 V661 L878	Y620-V624 HydrophobicContact CD1-CG2 4.42Å; Y620-V624 HydrophobicContact CD2-CG2 4.48Å; Y620-V624 HydrophobicContact CE1-CG2 4.06Å; Y620-V624 HydrophobicContact CE2-CG2 4.1Å; Y620-V624 WeakPolarHBondContact O-CG2 3.17Å; Y620-V624 PolarHBondContact O-N 3.28Å; L621-V624 PolarHBondContact O-N 3.26Å; V624-N626 VanDerWaalsContact C-N 3.32Å; V624-N626 PolarHBondContact O-N 3.19Å; V624-Q627 PolarHBondContact O-N 2.87Å; V624-I628 HydrophobicContact CG1-CD1 3.98Å; V624-I628 PolarHBondContact O-N 3.06Å; V624-I628 VanDerWaalsContact O-N 3.08Å; V624-A657 HydrophobicContact CG1-CB 3.68Å; V624-V661 HydrophobicContact CG1-CG2 4.47Å; V624-L878 HydrophobicContact CG2-CD1 3.62Å; V624-L878 HydrophobicContact CG2-CD2 3.62Å; V624-L878 HydrophobicContact CG2-CG 4.27Å
625	S	65.8	Low	61.5	Low	7 Å²	7	38 Å²	38	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-43.6	179.4	-171.9	0	0	0	0	111.7	L621 N623 G629 Q1171	L621-S625 VanDerWaalsContact O-CB 3.26Å; L621-S625 WeakPolarHBondContact O-CB 3.12Å; L621-S625 PolarHBondContact O-N 3.02Å; N623-S625 PolarHBondContact O-N 3.41Å; S625-G629 PolarHBondContact O-N 3.04Å; S625-Q1171 PolarHBondContact OG-NE2 2.99Å
626	N	66.4	Low	60.1	Low	55 Å²	55	41.8 Å²	41.8	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-42.6	179.8	-76.9	-10	0	0	0	111.7	C622 N623 V624 V630	C622-N626 VanDerWaalsContact O-CB 3.3Å; C622-N626 WeakPolarHBondContact O-CB 3.31Å; C622-N626 PolarHBondContact O-N 3.42Å; C622-N626 PolarHBondContact O-ND2 3.05Å; N623-N626 PolarHBondContact O-N 2.86Å; V624-N626 VanDerWaalsContact C-N 3.32Å; V624-N626 PolarHBondContact O-N 3.19Å; N626-V630 WeakPolarHBondContact O-CG2 3.39Å; N626-V630 PolarHBondContact O-N 3.27Å
627	Q	64.3	Low	59	Low	8 Å²	8	36.8 Å²	36.8	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-44.8	179.1	-61.3	-38.4	-32.4	0	0	112.5	N623 V624 V630 L631 H871 N874 M875	N623-Q627 VanDerWaalsContact O-CG 3.28Å; N623-Q627 WeakPolarHBondContact O-CG 3.44Å; N623-Q627 PolarHBondContact O-N 3.06Å; N623-Q627 PolarHBondContact OD1-NE2 2.68Å; V624-Q627 PolarHBondContact O-N 2.87Å; Q627-V630 PolarHBondContact O-N 2.92Å; Q627-L631 WeakPolarHBondContact O-CG 3.41Å; Q627-L631 PolarHBondContact O-N 3.01Å; Q627-L631 VanDerWaalsContact O-N 3.15Å; Q627-H871 VanDerWaalsContact OE1-CG 3.32Å; Q627-H871 PolarHBondContact OE1-ND1 2.67Å; Q627-H871 PolarHBondContact OE1-O 3.47Å; Q627-N874 HydrophobicContact CG-CB 4.28Å; Q627-M875 HydrophobicContact CB-CG 3.39Å; Q627-M875 HydrophobicContact CB-SD 3.29Å; Q627-M875 WeakPolarHBondContact CB-SD 3.43Å; Q627-M875 HydrophobicContact CG-CG 3.76Å; Q627-M875 HydrophobicContact CG-SD 3.75Å
628	I	60.4	Low	57.6	Low	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-39.6	-178.7	-68.6	-179.4	0	0	0	111.5	V624 V630 L631 I632 A657 I660 M875	V624-I628 HydrophobicContact CG1-CD1 3.98Å; V624-I628 PolarHBondContact O-N 3.06Å; V624-I628 VanDerWaalsContact O-N 3.08Å; I628-V630 PolarHBondContact O-N 2.6Å; I628-L631 PolarHBondContact O-N 2.68Å; I628-L631 VanDerWaalsContact O-N 3.13Å; I628-I632 HydrophobicContact CG2-CD1 3.41Å; I628-I632 VanDerWaalsContact CG2-CD1 3.41Å; I628-I632 HydrophobicContact CG2-CG1 3.89Å; I628-I632 WeakPolarHBondContact O-CG1 3.34Å; I628-I632 PolarHBondContact O-N 2.76Å; I628-A657 VanDerWaalsContact CD1-CA 3.41Å; I628-A657 HydrophobicContact CD1-CB 3.41Å; I628-A657 VanDerWaalsContact CD1-CB 3.41Å; I628-I660 HydrophobicContact CD1-CD1 4.06Å; I628-M875 HydrophobicContact CD1-CE 4.3Å; I628-M875 HydrophobicContact CG1-CE 4Å; I628-M875 HydrophobicContact CG1-SD 4.3Å
629	G	59.6	Low	56.1	Low	13 Å²	13	45.8 Å²	45.8	13%	0.134	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-38.8	176	0	0	0	0	0	112.4	S625 S633	S625-G629 PolarHBondContact O-N 3.04Å; G629-S633 VanDerWaalsContact O-CB 3.29Å; G629-S633 WeakPolarHBondContact O-CB 3.24Å; G629-S633 PolarHBondContact O-N 3.23Å; G629-S633 PolarHBondContact O-OG 3.11Å
630	V	58.9	Low	54.8	Low	36 Å²	36	43.1 Å²	43.1	22%	0.218	23%	0.228	C	C	.	.	H	α-helix	trans	-70.6	-46.5	175.4	176.5	0	0	0	0	111.4	N626 Q627 I628 I632 S633 Y868 H871	N626-V630 WeakPolarHBondContact O-CG2 3.39Å; N626-V630 PolarHBondContact O-N 3.27Å; Q627-V630 PolarHBondContact O-N 2.92Å; I628-V630 PolarHBondContact O-N 2.6Å; V630-I632 PolarHBondContact O-N 2.88Å; V630-S633 PolarHBondContact O-N 3.18Å; V630-S633 PolarHBondContact O-OG 3.35Å; V630-Y868 HydrophobicContact CG1-CD1 4.24Å; V630-Y868 HydrophobicContact CG1-CE1 4.48Å; V630-H871 HydrophobicContact CG1-CB 4.47Å
631	L	56	Low	53.8	Low	11 Å²	11	44.2 Å²	44.2	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-44.2	-178.4	-73.2	164.1	0	0	0	113.1	Q627 I628 M875 L989 L1002	Q627-L631 WeakPolarHBondContact O-CG 3.41Å; Q627-L631 PolarHBondContact O-N 3.01Å; Q627-L631 VanDerWaalsContact O-N 3.15Å; I628-L631 PolarHBondContact O-N 2.68Å; I628-L631 VanDerWaalsContact O-N 3.13Å; L631-M875 HydrophobicContact CD1-CG 3.94Å; L631-L989 HydrophobicContact CD1-CD1 3.78Å; L631-L989 HydrophobicContact CD2-CD1 4.02Å; L631-L989 HydrophobicContact CD2-CD2 4.23Å; L631-L989 HydrophobicContact CG-CD1 4.34Å; L631-L1002 HydrophobicContact CD2-CD2 4.25Å
632	I	53.3	Low	52.7	Low	22 Å²	22	45.5 Å²	45.5	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-75.2	-33.4	-177.6	-56.1	176.3	0	0	0	111.6	I628 V630 Y634 I647 L656	I628-I632 HydrophobicContact CG2-CD1 3.41Å; I628-I632 VanDerWaalsContact CG2-CD1 3.41Å; I628-I632 HydrophobicContact CG2-CG1 3.89Å; I628-I632 WeakPolarHBondContact O-CG1 3.34Å; I628-I632 PolarHBondContact O-N 2.76Å; V630-I632 PolarHBondContact O-N 2.88Å; I632-Y634 PolarHBondContact O-N 3.23Å; I632-I647 HydrophobicContact CG2-CD1 3.78Å; I632-I647 HydrophobicContact CG2-CG1 3.48Å; I632-I647 VanDerWaalsContact CG2-CG1 3.48Å; I632-L656 HydrophobicContact CD1-CD1 4.06Å
633	S	51.8	Low	51.5	Low	65 Å²	65	45.2 Å²	45.2	46%	0.455	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.9	-178	70.2	0	0	0	0	115.1	G629 V630	G629-S633 VanDerWaalsContact O-CB 3.29Å; G629-S633 WeakPolarHBondContact O-CB 3.24Å; G629-S633 PolarHBondContact O-N 3.23Å; G629-S633 PolarHBondContact O-OG 3.11Å; V630-S633 PolarHBondContact O-N 3.18Å; V630-S633 PolarHBondContact O-OG 3.35Å
634	Y	47.9	Very low	50.7	Low	68 Å²	68	44.8 Å²	44.8	27%	0.267	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-19.8	-167.8	-165.5	-112	0	0	0	115.3	I632 K853 Y868	I632-Y634 PolarHBondContact O-N 3.23Å; Y634-K853 HydrophobicContact CE1-CD 3.91Å; Y634-K853 HydrophobicContact CE1-CG 4.42Å; Y634-K853 PolarHBondContact OH-NZ 3.39Å; Y634-Y868 AromaticContact CD2-CE1 3.49Å; Y634-Y868 HydrophobicContact CD2-CE1 3.49Å; Y634-Y868 VanDerWaalsContact CD2-CE1 3.49Å; Y634-Y868 HydrophobicContact CD2-CE2 4.25Å; Y634-Y868 AromaticContact CD2-CZ 3.36Å; Y634-Y868 WeakPolarHBondContact CD2-OH 3.15Å; Y634-Y868 HydrophobicContact CE1-CE2 4.48Å; Y634-Y868 AromaticContact CE2-CE1 3.84Å; Y634-Y868 HydrophobicContact CE2-CE1 3.84Å; Y634-Y868 AromaticContact CE2-CE2 3.72Å; Y634-Y868 HydrophobicContact CE2-CE2 3.72Å; Y634-Y868 AromaticContact CE2-CZ 3.17Å; Y634-Y868 WeakPolarHBondContact CE2-OH 3.49Å; Y634-Y868 AromaticContact CG-CE1 3.95Å; Y634-Y868 HydrophobicContact CG-CE1 3.95Å; Y634-Y868 AromaticContact CZ-CE2 3.8Å; Y634-Y868 AromaticContact CZ-CZ 3.75Å
635	G	44.8	Very low	50	Low	12 Å²	12	45.1 Å²	45.1	12%	0.124	25%	0.245	C	C	.	.	S	Bend	trans	-66.1	147	171.1	0	0	0	0	0	110.6	L637 Y1006	G635-L637 PolarHBondContact O-N 2.94Å; G635-Y1006 WeakPolarHBondContact CA-OH 3.22Å
636	D	38.4	Very low	49.4	Very low	151 Å²	151	45.6 Å²	45.6	81%	0.807	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.6	14.2	165.4	-95.8	-24.8	0	0	0	113.3	K638	D636-K638 PolarHBondContact O-N 3.36Å
637	L	39.6	Very low	48.8	Very low	20 Å²	20	44.3 Å²	44.3	11%	0.105	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.3	-3.3	173.9	-54.2	170.4	0	0	0	113.5	G635 N639 N640 I643 Y1006	G635-L637 PolarHBondContact O-N 2.94Å; L637-N639 PolarHBondContact O-N 2.98Å; L637-N640 PolarHBondContact O-N 3.14Å; L637-I643 HydrophobicContact CB-CD1 4.17Å; L637-I643 HydrophobicContact CB-CG2 4.2Å; L637-I643 HydrophobicContact CD1-CD1 4.18Å; L637-I643 HydrophobicContact CD1-CG2 4.13Å; L637-I643 HydrophobicContact CD2-CD1 3.66Å; L637-I643 HydrophobicContact CG-CD1 4.2Å; L637-Y1006 HydrophobicContact CD1-CE1 4.06Å
638	K	37.1	Very low	48.5	Very low	155 Å²	155	44.9 Å²	44.9	67%	0.674	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-50.9	-26.7	173	-80.6	-175.1	179.8	173	0	112.9	D636 N644	D636-K638 PolarHBondContact O-N 3.36Å; K638-N644 PolarHBondContact O-ND2 3.49Å
639	N	38.4	Very low	48.9	Very low	118 Å²	118	45 Å²	45	63%	0.631	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-83.9	-15.5	178.6	-68.1	-14.3	0	0	0	113.5	L637 Q641	L637-N639 PolarHBondContact O-N 2.98Å; N639-Q641 PolarHBondContact O-N 3.1Å
640	N	40	Very low	49.3	Very low	42 Å²	42	46 Å²	46	23%	0.225	25%	0.249	C	C	.	.			trans	-93.9	105.3	-174.9	-157.1	-12	0	0	0	111.5	L637 A642 I643 N644 I961	L637-N640 PolarHBondContact O-N 3.14Å; N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A642 PolarHBondContact O-N 2.9Å; N640-I643 HydrophobicContact CB-CB 4.4Å; N640-I643 HydrophobicContact CB-CD1 3.94Å; N640-I643 HydrophobicContact CB-CG1 4.09Å; N640-I643 PolarHBondContact O-N 3.21Å; N640-I643 VanDerWaalsContact O-N 3.07Å; N640-N644 PolarHBondContact O-N 3.3Å; N640-I961 PolarHBondContact ND2-O 3.05Å
641	Q	42.8	Very low	50	Low	72 Å²	72	44.3 Å²	44.3	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-36.7	-170.4	-67.6	179.2	-12.4	0	0	114.5	N639 I643 N644 S645	N639-Q641 PolarHBondContact O-N 3.1Å; Q641-I643 VanDerWaalsContact C-N 3.32Å; Q641-N644 PolarHBondContact O-N 2.93Å; Q641-S645 PolarHBondContact O-N 3.32Å
642	A	42.2	Very low	50.5	Low	36 Å²	36	43.9 Å²	43.9	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-68.3	-34.6	178.4	0	0	0	0	0	111.8	N640 S645 I646	N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A642 PolarHBondContact O-N 2.9Å; A642-S645 PolarHBondContact O-OG 2.94Å; A642-I646 WeakPolarHBondContact O-CG1 3.29Å
643	I	44.6	Very low	51.1	Low	10 Å²	10	44.4 Å²	44.4	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-75.6	-38.9	177.4	-51.6	-178.1	0	0	0	109.1	L637 N640 Q641 S645 I646 I647 L985	L637-I643 HydrophobicContact CB-CD1 4.17Å; L637-I643 HydrophobicContact CB-CG2 4.2Å; L637-I643 HydrophobicContact CD1-CD1 4.18Å; L637-I643 HydrophobicContact CD1-CG2 4.13Å; L637-I643 HydrophobicContact CD2-CD1 3.66Å; L637-I643 HydrophobicContact CG-CD1 4.2Å; N640-I643 HydrophobicContact CB-CB 4.4Å; N640-I643 HydrophobicContact CB-CD1 3.94Å; N640-I643 HydrophobicContact CB-CG1 4.09Å; N640-I643 PolarHBondContact O-N 3.21Å; N640-I643 VanDerWaalsContact O-N 3.07Å; Q641-I643 VanDerWaalsContact C-N 3.32Å; I643-S645 VanDerWaalsContact C-N 3.31Å; I643-S645 PolarHBondContact O-N 3.08Å; I643-I646 PolarHBondContact O-N 2.9Å; I643-I647 HydrophobicContact CB-CD1 4.43Å; I643-I647 HydrophobicContact CG2-CD1 3.45Å; I643-I647 VanDerWaalsContact CG2-CD1 3.45Å; I643-I647 HydrophobicContact CG2-CG1 3.95Å; I643-I647 WeakPolarHBondContact O-CB 3.43Å; I643-I647 WeakPolarHBondContact O-CG1 3.42Å; I643-I647 PolarHBondContact O-N 2.9Å; I643-L985 HydrophobicContact CD1-CD2 4.09Å
644	N	48.8	Very low	51.8	Low	36 Å²	36	41.3 Å²	41.3	19%	0.193	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-37.5	176.4	-79.2	-18	0	0	0	113.3	K638 N640 Q641 I647 T648	K638-N644 PolarHBondContact O-ND2 3.49Å; N640-N644 PolarHBondContact O-N 3.3Å; Q641-N644 PolarHBondContact O-N 2.93Å; N644-I647 PolarHBondContact O-N 3.29Å; N644-T648 VanDerWaalsContact O-CB 3.29Å; N644-T648 WeakPolarHBondContact O-CB 3.39Å; N644-T648 WeakPolarHBondContact O-CG2 3.32Å; N644-T648 PolarHBondContact O-N 3.44Å; N644-T648 PolarHBondContact O-OG1 3.15Å
645	S	49.8	Very low	52.7	Low	11 Å²	11	38.1 Å²	38.1	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-39.9	178.2	68.7	0	0	0	0	112.5	Q641 A642 I643 T648 N649 E781	Q641-S645 PolarHBondContact O-N 3.32Å; A642-S645 PolarHBondContact O-OG 2.94Å; I643-S645 VanDerWaalsContact C-N 3.31Å; I643-S645 PolarHBondContact O-N 3.08Å; S645-T648 PolarHBondContact O-N 3.12Å; S645-T648 PolarHBondContact O-OG1 2.84Å; S645-N649 WeakPolarHBondContact O-CB 3.09Å; S645-N649 PolarHBondContact O-N 3.4Å; S645-N649 VanDerWaalsContact O-N 3.15Å; S645-E781 WeakPolarHBondContact CB-OE1 3.36Å; S645-E781 PolarHBondContact OG-OE1 2.76Å
646	I	51.7	Low	53.5	Low	16 Å²	16	37.7 Å²	37.7	8%	0.082	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-40.6	173.1	-63.5	171.7	0	0	0	110.9	A642 I643 H652 L656	A642-I646 WeakPolarHBondContact O-CG1 3.29Å; I643-I646 PolarHBondContact O-N 2.9Å; I646-H652 HydrophobicContact CG2-CB 4.4Å; I646-L656 HydrophobicContact CG2-CD1 3.46Å; I646-L656 VanDerWaalsContact CG2-CD1 3.46Å; I646-L656 HydrophobicContact CG2-CG 4.35Å
647	I	53.8	Low	54.7	Low	28 Å²	28	30.5 Å²	30.5	14%	0.144	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-36.5	177.6	-69.9	168.9	0	0	0	111.4	I632 I643 N644 Q653	I632-I647 HydrophobicContact CG2-CD1 3.78Å; I632-I647 HydrophobicContact CG2-CG1 3.48Å; I632-I647 VanDerWaalsContact CG2-CG1 3.48Å; I643-I647 HydrophobicContact CB-CD1 4.43Å; I643-I647 HydrophobicContact CG2-CD1 3.45Å; I643-I647 VanDerWaalsContact CG2-CD1 3.45Å; I643-I647 HydrophobicContact CG2-CG1 3.95Å; I643-I647 WeakPolarHBondContact O-CB 3.43Å; I643-I647 WeakPolarHBondContact O-CG1 3.42Å; I643-I647 PolarHBondContact O-N 2.9Å; N644-I647 PolarHBondContact O-N 3.29Å; I647-Q653 PolarHBondContact O-NE2 3.23Å
648	T	59.5	Low	55.7	Low	21 Å²	21	30.2 Å²	30.2	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-85.1	-27.7	-172.1	50.1	0	0	0	0	113.3	Y390 N644 S645 S650	Y390-T648 HydrophobicContact CE2-CG2 4.05Å; N644-T648 VanDerWaalsContact O-CB 3.29Å; N644-T648 WeakPolarHBondContact O-CB 3.39Å; N644-T648 WeakPolarHBondContact O-CG2 3.32Å; N644-T648 PolarHBondContact O-N 3.44Å; N644-T648 PolarHBondContact O-OG1 3.15Å; S645-T648 PolarHBondContact O-N 3.12Å; S645-T648 PolarHBondContact O-OG1 2.84Å; T648-S650 PolarHBondContact O-N 3.46Å
649	N	67.1	Low	56.8	Low	3 Å²	3	22.8 Å²	22.8	2%	0.016	13%	0.127	C	C	.	.			trans	-82.2	111.2	178.9	-173.1	-30.5	0	0	0	111	G443 S645 R651 H652 Q653	G443-N649 WeakPolarHBondContact CA-OD1 3.14Å; S645-N649 WeakPolarHBondContact O-CB 3.09Å; S645-N649 PolarHBondContact O-N 3.4Å; S645-N649 VanDerWaalsContact O-N 3.15Å; N649-R651 PolarHBondContact O-N 2.88Å; N649-R651 WeakPolarHBondContact OD1-CB 3.46Å; N649-R651 PolarHBondContact OD1-N 3.47Å; N649-H652 HydrophobicContact CB-CB 4.03Å; N649-H652 WeakPolarHBondContact CB-ND1 3.27Å; N649-H652 PolarHBondContact ND2-CE1 3.09Å; N649-H652 VanDerWaalsContact ND2-CE1 3.29Å; N649-H652 PolarHBondContact ND2-ND1 3.27Å; N649-H652 WeakPolarHBondContact O-CB 3.38Å; N649-H652 PolarHBondContact O-N 3.13Å; N649-H652 PolarHBondContact OD1-N 3.47Å; N649-Q653 PolarHBondContact O-N 2.85Å; N649-Q653 VanDerWaalsContact O-N 3.08Å
650	S	69.1	Low	57.6	Low	33 Å²	33	17.7 Å²	17.7	23%	0.231	10%	0.1	C	C	.	.	H	α-helix	trans	-56.7	-32.7	-179.1	56.5	0	0	0	0	113.7	L442 T648 L654 Q1171	L442-S650 PolarHBondContact O-N 2.99Å; T648-S650 PolarHBondContact O-N 3.46Å; S650-L654 PolarHBondContact O-N 2.77Å; S650-Q1171 PolarHBondContact O-NE2 2.67Å
651	R	72.6	Confident	58.3	Low	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-72.5	-39.1	176.7	-67.7	-174.1	64.8	157.2	-2.9	111.8	C475 N649 Q653 L654 A655 T777 L1168 L1172	C475-R651 VanDerWaalsContact C-NH1 3.29Å; C475-R651 VanDerWaalsContact CB-NH1 3.34Å; C475-R651 PolarHBondContact O-NH1 2.87Å; C475-R651 PolarHBondContact O-NH2 3.05Å; N649-R651 PolarHBondContact O-N 2.88Å; N649-R651 WeakPolarHBondContact OD1-CB 3.46Å; N649-R651 PolarHBondContact OD1-N 3.47Å; R651-Q653 VanDerWaalsContact C-N 3.31Å; R651-Q653 PolarHBondContact O-N 3.4Å; R651-L654 PolarHBondContact O-N 2.86Å; R651-A655 WeakPolarHBondContact O-CB 3.42Å; R651-A655 PolarHBondContact O-N 3.37Å; R651-T777 HydrophobicContact CB-CG2 3.78Å; R651-T777 WeakPolarHBondContact O-CG2 3.26Å; R651-L1168 HydrophobicContact CB-CD2 4.2Å; R651-L1168 HydrophobicContact CG-CD2 4.5Å; R651-L1168 VanDerWaalsContact NH2-CB 3.31Å; R651-L1172 HydrophobicContact CG-CD2 4.32Å
652	H	67.6	Low	58.7	Low	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-43.9	173.2	-69.6	144.5	0	0	0	110.9	I646 N649 L654 A655 L656 L774 T777 E781	I646-H652 HydrophobicContact CG2-CB 4.4Å; N649-H652 HydrophobicContact CB-CB 4.03Å; N649-H652 WeakPolarHBondContact CB-ND1 3.27Å; N649-H652 PolarHBondContact ND2-CE1 3.09Å; N649-H652 VanDerWaalsContact ND2-CE1 3.29Å; N649-H652 PolarHBondContact ND2-ND1 3.27Å; N649-H652 WeakPolarHBondContact O-CB 3.38Å; N649-H652 PolarHBondContact O-N 3.13Å; N649-H652 PolarHBondContact OD1-N 3.47Å; H652-L654 VanDerWaalsContact C-N 3.32Å; H652-L654 PolarHBondContact O-N 3.01Å; H652-A655 PolarHBondContact O-N 3.2Å; H652-L656 WeakPolarHBondContact O-CB 3.46Å; H652-L656 VanDerWaalsContact O-CG 3.31Å; H652-L656 WeakPolarHBondContact O-CG 3.45Å; H652-L656 PolarHBondContact O-N 3.38Å; H652-L774 HydrophobicContact CB-CD2 3.82Å; H652-L774 VanDerWaalsContact CD2-CD2 3.48Å; H652-L774 WeakPolarHBondContact CD2-CD2 3.11Å; H652-T777 PolarHBondContact CD2-OG1 3.25Å; H652-T777 PolarHBondContact NE2-OG1 3.23Å; H652-T777 VanDerWaalsContact NE2-OG1 3.08Å; H652-E781 IonicContact CE1-OE2 3.14Å; H652-E781 PolarHBondContact CE1-OE2 3.21Å; H652-E781 IonicContact ND1-OE2 3.87Å; H652-E781 PolarHBondContact ND1-OE2 3.44Å; H652-E781 IonicContact NE2-OE2 3.38Å
653	Q	66	Low	59	Low	33 Å²	33	12.6 Å²	12.6	15%	0.154	7%	0.068	C	C	.	.	H	α-helix	trans	-57.2	-43.4	175.1	-65.5	-177.5	-15.1	0	0	112.6	I647 N649 R651 L656 A657	I647-Q653 PolarHBondContact O-NE2 3.23Å; N649-Q653 PolarHBondContact O-N 2.85Å; N649-Q653 VanDerWaalsContact O-N 3.08Å; R651-Q653 VanDerWaalsContact C-N 3.31Å; R651-Q653 PolarHBondContact O-N 3.4Å; Q653-L656 WeakPolarHBondContact O-CB 3.04Å; Q653-A657 WeakPolarHBondContact O-CB 3.25Å; Q653-A657 PolarHBondContact O-N 3.38Å
654	L	67	Low	59	Low	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-72.4	-39.4	177.7	-175.5	67.2	0	0	0	112.8	L621 S650 R651 H652 L656 A657 I658 L1168 Q1171	L621-L654 HydrophobicContact CB-CD1 4.27Å; L621-L654 HydrophobicContact CD2-CD1 3.84Å; L621-L654 HydrophobicContact CD2-CD2 4.25Å; S650-L654 PolarHBondContact O-N 2.77Å; R651-L654 PolarHBondContact O-N 2.86Å; H652-L654 VanDerWaalsContact C-N 3.32Å; H652-L654 PolarHBondContact O-N 3.01Å; L654-L656 VanDerWaalsContact C-N 3.28Å; L654-L656 PolarHBondContact O-N 3.23Å; L654-A657 HydrophobicContact CD1-CB 4.22Å; L654-A657 WeakPolarHBondContact O-CA 3.28Å; L654-A657 VanDerWaalsContact O-CB 3.25Å; L654-A657 WeakPolarHBondContact O-CB 3.23Å; L654-A657 PolarHBondContact O-N 3.22Å; L654-A657 VanDerWaalsContact O-N 3.09Å; L654-I658 HydrophobicContact CD1-CD1 4.3Å; L654-I658 HydrophobicContact CD1-CG1 4.25Å; L654-I658 HydrophobicContact CD2-CD1 4.18Å; L654-I658 HydrophobicContact CG-CD1 3.82Å; L654-I658 HydrophobicContact CG-CG1 4.2Å; L654-I658 WeakPolarHBondContact O-CB 3.1Å; L654-I658 VanDerWaalsContact O-CG1 3.31Å; L654-I658 WeakPolarHBondContact O-CG1 3.33Å; L654-I658 PolarHBondContact O-N 3.22Å; L654-L1168 HydrophobicContact CB-CD2 4.48Å; L654-L1168 HydrophobicContact CD2-CD2 4.24Å; L654-Q1171 VanDerWaalsContact CB-CD 3.44Å; L654-Q1171 HydrophobicContact CD2-CB 3.58Å; L654-Q1171 VanDerWaalsContact CD2-CD 3.42Å; L654-Q1171 HydrophobicContact CD2-CG 3.74Å
655	A	66.8	Low	58.8	Low	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174.7	0	0	0	0	0	111.3	R651 H652 G659 L773 L774 T777	R651-A655 WeakPolarHBondContact O-CB 3.42Å; R651-A655 PolarHBondContact O-N 3.37Å; H652-A655 PolarHBondContact O-N 3.2Å; A655-G659 PolarHBondContact O-N 2.98Å; A655-L773 HydrophobicContact CB-CB 4.08Å; A655-L774 HydrophobicContact CB-CD2 4.03Å; A655-T777 HydrophobicContact CB-CG2 3.68Å
656	L	61	Low	58.3	Low	2 Å²	2	13.8 Å²	13.8	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-48.4	169	-73	178.6	0	0	0	111	I632 I646 H652 Q653 L654 I658 G659 I660 T770 L774	I632-L656 HydrophobicContact CD1-CD1 4.06Å; I646-L656 HydrophobicContact CG2-CD1 3.46Å; I646-L656 VanDerWaalsContact CG2-CD1 3.46Å; I646-L656 HydrophobicContact CG2-CG 4.35Å; H652-L656 WeakPolarHBondContact O-CB 3.46Å; H652-L656 VanDerWaalsContact O-CG 3.31Å; H652-L656 WeakPolarHBondContact O-CG 3.45Å; H652-L656 PolarHBondContact O-N 3.38Å; Q653-L656 WeakPolarHBondContact O-CB 3.04Å; L654-L656 VanDerWaalsContact C-N 3.28Å; L654-L656 PolarHBondContact O-N 3.23Å; L656-I658 PolarHBondContact O-N 3.47Å; L656-G659 CarbonylContact O-C 3.54Å; L656-G659 PolarHBondContact O-N 2.82Å; L656-I660 HydrophobicContact CB-CD1 4.38Å; L656-I660 WeakPolarHBondContact O-CB 3.49Å; L656-I660 VanDerWaalsContact O-CD1 3.25Å; L656-I660 WeakPolarHBondContact O-CD1 2.95Å; L656-I660 WeakPolarHBondContact O-CG1 3.46Å; L656-I660 PolarHBondContact O-N 3.45Å; L656-T770 HydrophobicContact CD2-CG2 3.43Å; L656-T770 VanDerWaalsContact CD2-CG2 3.43Å; L656-L774 HydrophobicContact CD2-CD1 3.94Å; L656-L774 HydrophobicContact CD2-CD2 4.34Å; L656-L774 HydrophobicContact CD2-CG 4.45Å; L656-L774 HydrophobicContact CG-CD2 4.2Å
657	A	62.4	Low	57.8	Low	1 Å²	1	14.1 Å²	14.1	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-55.8	-51.2	-179.7	0	0	0	0	0	112.9	V624 I628 Q653 L654 I660 V661	V624-A657 HydrophobicContact CG1-CB 3.68Å; I628-A657 VanDerWaalsContact CD1-CA 3.41Å; I628-A657 HydrophobicContact CD1-CB 3.41Å; I628-A657 VanDerWaalsContact CD1-CB 3.41Å; Q653-A657 WeakPolarHBondContact O-CB 3.25Å; Q653-A657 PolarHBondContact O-N 3.38Å; L654-A657 HydrophobicContact CD1-CB 4.22Å; L654-A657 WeakPolarHBondContact O-CA 3.28Å; L654-A657 VanDerWaalsContact O-CB 3.25Å; L654-A657 WeakPolarHBondContact O-CB 3.23Å; L654-A657 PolarHBondContact O-N 3.22Å; L654-A657 VanDerWaalsContact O-N 3.09Å; A657-I660 PolarHBondContact O-N 2.86Å; A657-V661 WeakPolarHBondContact O-CG2 3.37Å; A657-V661 PolarHBondContact O-N 3.39Å
658	I	62.1	Low	57.1	Low	13 Å²	13	14.1 Å²	14.1	7%	0.067	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-47.3	176.5	-66.6	171.1	0	0	0	108.9	L654 L656 I660 V661 Y662 L773 I1158 F1167	L654-I658 HydrophobicContact CD1-CD1 4.3Å; L654-I658 HydrophobicContact CD1-CG1 4.25Å; L654-I658 HydrophobicContact CD2-CD1 4.18Å; L654-I658 HydrophobicContact CG-CD1 3.82Å; L654-I658 HydrophobicContact CG-CG1 4.2Å; L654-I658 WeakPolarHBondContact O-CB 3.1Å; L654-I658 VanDerWaalsContact O-CG1 3.31Å; L654-I658 WeakPolarHBondContact O-CG1 3.33Å; L654-I658 PolarHBondContact O-N 3.22Å; L656-I658 PolarHBondContact O-N 3.47Å; I658-I660 VanDerWaalsContact C-N 3.32Å; I658-I660 PolarHBondContact O-N 3.39Å; I658-V661 PolarHBondContact O-N 2.92Å; I658-Y662 HydrophobicContact CG2-CD2 3.74Å; I658-Y662 HydrophobicContact CG2-CE2 4.03Å; I658-Y662 WeakPolarHBondContact O-CB 3.44Å; I658-Y662 VanDerWaalsContact O-CD2 3.27Å; I658-Y662 WeakPolarHBondContact O-CD2 3.35Å; I658-Y662 PolarHBondContact O-N 3.49Å; I658-L773 HydrophobicContact CB-CD1 4.39Å; I658-L773 HydrophobicContact CG2-CD1 4Å; I658-I1158 HydrophobicContact CG2-CD1 3.51Å; I658-F1167 HydrophobicContact CD1-CB 4.33Å
659	G	59.1	Low	56.1	Low	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-53.6	-47.3	175.7	0	0	0	0	0	112.6	A655 L656 S663	A655-G659 PolarHBondContact O-N 2.98Å; L656-G659 CarbonylContact O-C 3.54Å; L656-G659 PolarHBondContact O-N 2.82Å; G659-S663 WeakPolarHBondContact O-CB 3.43Å; G659-S663 PolarHBondContact O-N 3.36Å; G659-S663 PolarHBondContact O-OG 3.48Å
660	I	55.9	Low	54.8	Low	10 Å²	10	16.4 Å²	16.4	5%	0.051	9%	0.09	C	C	.	.	H	α-helix	trans	-64.6	-54.2	-178.7	-67.3	155.2	0	0	0	111.4	I628 L656 A657 I658 Y662 A664 I956	I628-I660 HydrophobicContact CD1-CD1 4.06Å; L656-I660 HydrophobicContact CB-CD1 4.38Å; L656-I660 WeakPolarHBondContact O-CB 3.49Å; L656-I660 VanDerWaalsContact O-CD1 3.25Å; L656-I660 WeakPolarHBondContact O-CD1 2.95Å; L656-I660 WeakPolarHBondContact O-CG1 3.46Å; L656-I660 PolarHBondContact O-N 3.45Å; A657-I660 PolarHBondContact O-N 2.86Å; I658-I660 VanDerWaalsContact C-N 3.32Å; I658-I660 PolarHBondContact O-N 3.39Å; I660-Y662 PolarHBondContact O-N 2.82Å; I660-A664 VanDerWaalsContact O-CB 3.22Å; I660-A664 WeakPolarHBondContact O-CB 3.4Å; I660-A664 PolarHBondContact O-N 3.42Å; I660-A664 VanDerWaalsContact O-N 3.14Å; I660-I956 HydrophobicContact CD1-CB 4.38Å; I660-I956 HydrophobicContact CD1-CD1 4.28Å; I660-I956 HydrophobicContact CD1-CG1 4.24Å; I660-I956 HydrophobicContact CD1-CG2 3.49Å; I660-I956 VanDerWaalsContact CD1-CG2 3.49Å; I660-I956 HydrophobicContact CG1-CG2 4Å; I660-I956 HydrophobicContact CG2-CG1 4.16Å
661	V	53.6	Low	53.4	Low	5 Å²	5	17.5 Å²	17.5	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-49.3	-176.8	173	0	0	0	0	110	V624 A657 I658 E665 L879	V624-V661 HydrophobicContact CG1-CG2 4.47Å; A657-V661 WeakPolarHBondContact O-CG2 3.37Å; A657-V661 PolarHBondContact O-N 3.39Å; I658-V661 PolarHBondContact O-N 2.92Å; V661-E665 WeakPolarHBondContact O-CG 3.39Å; V661-E665 PolarHBondContact O-N 2.94Å; V661-L879 HydrophobicContact CG2-CD2 4.42Å
662	Y	53	Low	51.8	Low	34 Å²	34	18.3 Å²	18.3	13%	0.133	10%	0.096	C	C	.	.	H	α-helix	trans	-75	-41	-174.5	-78.5	-85.9	0	0	0	113.4	I658 I660 L666 I1157 I1158	I658-Y662 HydrophobicContact CG2-CD2 3.74Å; I658-Y662 HydrophobicContact CG2-CE2 4.03Å; I658-Y662 WeakPolarHBondContact O-CB 3.44Å; I658-Y662 VanDerWaalsContact O-CD2 3.27Å; I658-Y662 WeakPolarHBondContact O-CD2 3.35Å; I658-Y662 PolarHBondContact O-N 3.49Å; I660-Y662 PolarHBondContact O-N 2.82Å; Y662-L666 WeakPolarHBondContact O-CB 3.24Å; Y662-L666 WeakPolarHBondContact O-CD1 3.26Å; Y662-L666 VanDerWaalsContact O-CG 3.29Å; Y662-L666 WeakPolarHBondContact O-CG 3.35Å; Y662-L666 PolarHBondContact O-N 2.93Å; Y662-I1157 HydrophobicContact CE1-CB 3.93Å; Y662-I1157 HydrophobicContact CE1-CD1 3.89Å; Y662-I1157 HydrophobicContact CE1-CG2 3.71Å; Y662-I1158 HydrophobicContact CD2-CD1 4.32Å; Y662-I1158 HydrophobicContact CE2-CD1 4.36Å
663	S	48.2	Very low	50.5	Low	4 Å²	4	26.3 Å²	26.3	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-70.7	-37.7	-177.5	63.6	0	0	0	0	112.7	G659 I667 H766	G659-S663 WeakPolarHBondContact O-CB 3.43Å; G659-S663 PolarHBondContact O-N 3.36Å; G659-S663 PolarHBondContact O-OG 3.48Å; S663-I667 WeakPolarHBondContact O-CG1 3.32Å; S663-H766 VanDerWaalsContact C-CE1 3.44Å; S663-H766 WeakPolarHBondContact CB-ND1 3.4Å; S663-H766 PolarHBondContact O-CE1 2.8Å; S663-H766 PolarHBondContact OG-ND1 2.95Å
664	A	44.9	Very low	49.2	Very low	34 Å²	34	30.7 Å²	30.7	28%	0.281	15%	0.146	S	C	.	.	H	α-helix	trans	-64.7	-39.3	178	0	0	0	0	0	112.7	I660 R668	I660-A664 VanDerWaalsContact O-CB 3.22Å; I660-A664 WeakPolarHBondContact O-CB 3.4Å; I660-A664 PolarHBondContact O-N 3.42Å; I660-A664 VanDerWaalsContact O-N 3.14Å; A664-R668 VanDerWaalsContact O-CB 3.25Å; A664-R668 WeakPolarHBondContact O-CB 3.49Å
665	E	43	Very low	47.9	Very low	18 Å²	18	38.3 Å²	38.3	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-78.1	-41.2	-176.4	-68.1	-169	147.1	0	0	113.6	V661 N669 Q883	V661-E665 WeakPolarHBondContact O-CG 3.39Å; V661-E665 PolarHBondContact O-N 2.94Å; E665-N669 PolarHBondContact O-N 3.35Å; E665-N669 VanDerWaalsContact O-N 3.15Å; E665-Q883 VanDerWaalsContact CG-NE2 3.27Å; E665-Q883 PolarHBondContact OE1-NE2 3.25Å
666	L	40.2	Very low	46.6	Very low	30 Å²	30	49.3 Å²	49.3	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-74.7	-43	-171.6	-72.1	169.9	0	0	0	113.6	Y662 R668 S670 V1152 P1154	Y662-L666 WeakPolarHBondContact O-CB 3.24Å; Y662-L666 WeakPolarHBondContact O-CD1 3.26Å; Y662-L666 VanDerWaalsContact O-CG 3.29Å; Y662-L666 WeakPolarHBondContact O-CG 3.35Å; Y662-L666 PolarHBondContact O-N 2.93Å; L666-R668 VanDerWaalsContact C-N 3.3Å; L666-R668 PolarHBondContact O-N 2.89Å; L666-S670 PolarHBondContact O-N 3.44Å; L666-S670 PolarHBondContact O-OG 3.14Å; L666-V1152 HydrophobicContact CD2-CB 4.2Å; L666-V1152 HydrophobicContact CD2-CG1 3.5Å; L666-V1152 VanDerWaalsContact CD2-CG1 3.5Å; L666-P1154 HydrophobicContact CD1-CB 3.9Å; L666-P1154 HydrophobicContact CD1-CG 4.04Å
667	I	40.1	Very low	45.3	Very low	24 Å²	24	51.4 Å²	51.4	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-40.6	178	-63.9	170.3	0	0	0	109.6	S663 S670 W671 V765	S663-I667 WeakPolarHBondContact O-CG1 3.32Å; I667-S670 PolarHBondContact O-OG 3.28Å; I667-W671 WeakPolarHBondContact O-CB 3.17Å; I667-W671 PolarHBondContact O-N 3.45Å; I667-V765 HydrophobicContact CD1-CB 3.86Å; I667-V765 HydrophobicContact CD1-CG1 3.8Å; I667-V765 HydrophobicContact CG1-CG1 4.43Å
668	R	40.5	Very low	44.1	Very low	28 Å²	28	54.3 Å²	54.3	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-50	178.4	-174	-164	78.1	163	5	112.9	A664 L666 C672 F679 Q883 H944	A664-R668 VanDerWaalsContact O-CB 3.25Å; A664-R668 WeakPolarHBondContact O-CB 3.49Å; L666-R668 VanDerWaalsContact C-N 3.3Å; L666-R668 PolarHBondContact O-N 2.89Å; R668-C672 PolarHBondContact O-N 3.5Å; R668-C672 PolarHBondContact O-SG 2.9Å; R668-C672 VanDerWaalsContact O-SG 3.36Å; R668-F679 HydrophobicContact CG-CE2 4.42Å; R668-Q883 VanDerWaalsContact NH2-NE2 3.16Å; R668-H944 PolarHBondContact NH1-O 3.39Å
669	N	38	Very low	42.7	Very low	50 Å²	50	55.6 Å²	55.6	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-73.3	-33.4	-172.7	-75.9	-10	0	0	0	113.3	E665 R673 H887	E665-N669 PolarHBondContact O-N 3.35Å; E665-N669 VanDerWaalsContact O-N 3.15Å; N669-R673 WeakPolarHBondContact O-CB 3.37Å; N669-H887 PolarHBondContact ND2-CE1 3.2Å; N669-H887 PolarHBondContact ND2-NE2 2.72Å
670	S	40.4	Very low	41.5	Very low	21 Å²	21	57.2 Å²	57.2	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-75.2	-49.6	178.9	59.4	0	0	0	0	111.6	L666 I667 Q674	L666-S670 PolarHBondContact O-N 3.44Å; L666-S670 PolarHBondContact O-OG 3.14Å; I667-S670 PolarHBondContact O-OG 3.28Å; S670-Q674 VanDerWaalsContact O-CB 3.3Å; S670-Q674 WeakPolarHBondContact O-CB 3.48Å; S670-Q674 PolarHBondContact O-N 3.07Å
671	W	38.4	Very low	40.5	Very low	56 Å²	56	59 Å²	59	21%	0.212	28%	0.275	C	S	.	.	H	α-helix	trans	-69.9	-50.9	-171.8	-162.1	93.1	0	0	0	113	I667 R673 Q674 R675 C682	I667-W671 WeakPolarHBondContact O-CB 3.17Å; I667-W671 PolarHBondContact O-N 3.45Å; W671-R673 VanDerWaalsContact C-N 3.28Å; W671-R673 PolarHBondContact O-N 3.13Å; W671-Q674 PolarHBondContact O-N 3.41Å; W671-R675 PolarHBondContact O-N 3.3Å; W671-R675 VanDerWaalsContact O-N 3.14Å; W671-C682 VanDerWaalsContact CE3-SG 3.53Å
672	C	39.5	Very low	39.7	Very low	19 Å²	19	59.5 Å²	59.5	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-34.7	-178.6	-52.9	0	0	0	0	111.1	R668 R676 V677 C682	R668-C672 PolarHBondContact O-N 3.5Å; R668-C672 PolarHBondContact O-SG 2.9Å; R668-C672 VanDerWaalsContact O-SG 3.36Å; C672-R676 WeakPolarHBondContact O-CA 3.45Å; C672-R676 PolarHBondContact O-N 2.79Å; C672-R676 VanDerWaalsContact O-N 3.14Å; C672-V677 PolarHBondContact O-N 3.14Å; C672-C682 WeakPolarHBondContact CB-SG 3.26Å; C672-C682 WeakPolarHBondContact SG-CB 3.36Å; C672-C682 CovalentContact SG-SG 2.06Å; C672-C682 PolarHBondContact SG-SG 3.15Å
673	R	39.7	Very low	38.8	Very low	169 Å²	169	60.6 Å²	60.6	64%	0.638	28%	0.282	S	S	*	.	H	α-helix	trans	-70.8	-38.4	177.8	-163.6	176.5	-170.7	177.2	4.1	112.3	N669 W671	N669-R673 WeakPolarHBondContact O-CB 3.37Å; W671-R673 VanDerWaalsContact C-N 3.28Å; W671-R673 PolarHBondContact O-N 3.13Å
674	Q	40.3	Very low	37.9	Very low	124 Å²	124	62.2 Å²	62.2	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-74	-41.6	-176.9	-163.4	172	7.5	0	0	112.4	S670 W671 R676	S670-Q674 VanDerWaalsContact O-CB 3.3Å; S670-Q674 WeakPolarHBondContact O-CB 3.48Å; S670-Q674 PolarHBondContact O-N 3.07Å; W671-Q674 PolarHBondContact O-N 3.41Å; Q674-R676 VanDerWaalsContact C-N 3.35Å
675	R	39.2	Very low	37.2	Very low	161 Å²	161	66.2 Å²	66.2	61%	0.608	30%	0.304	S	S	*	.	H	α-helix	trans	-87.1	-2.8	178.5	-66.2	-163.5	173.6	-168.5	0.7	114.3	W671 V677	W671-R675 PolarHBondContact O-N 3.3Å; W671-R675 VanDerWaalsContact O-N 3.14Å; R675-V677 HydrophobicContact CB-CG2 3.62Å; R675-V677 PolarHBondContact O-N 3.04Å
676	R	39.1	Very low	36.4	Very low	232 Å²	232	69.6 Å²	69.6	88%	0.875	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	32.7	-177	-55.5	-178.7	177.8	179.8	0.4	112.6	C672 Q674	C672-R676 WeakPolarHBondContact O-CA 3.45Å; C672-R676 PolarHBondContact O-N 2.79Å; C672-R676 VanDerWaalsContact O-N 3.14Å; Q674-R676 VanDerWaalsContact C-N 3.35Å
677	V	34.8	Very low	35.7	Very low	46 Å²	46	73.4 Å²	73.4	28%	0.279	34%	0.344	S	S	.	.			trans	-85.4	137.4	179	-178.2	0	0	0	0	107.7	C672 R675 T681	C672-V677 PolarHBondContact O-N 3.14Å; R675-V677 HydrophobicContact CB-CG2 3.62Å; R675-V677 PolarHBondContact O-N 3.04Å; V677-T681 VanDerWaalsContact CG1-CB 3.44Å; V677-T681 HydrophobicContact CG1-CG2 4.44Å; V677-T681 WeakPolarHBondContact CG1-OG1 3.37Å
678	S	36.6	Very low	35	Very low	62 Å²	62	77.2 Å²	77.2	43%	0.434	37%	0.365	S	S	.	.			trans	-64	147.8	178.3	56	0	0	0	0	110.5	N680 T681	S678-N680 PolarHBondContact O-N 2.73Å; S678-T681 PolarHBondContact O-N 3.35Å; S678-T681 PolarHBondContact O-OG1 3.41Å; S678-T681 PolarHBondContact OG-OG1 3.15Å
679	F	31.7	Very low	34.4	Very low	40 Å²	40	80.4 Å²	80.4	18%	0.175	39%	0.391	C	S	.	.	H	α-helix	trans	-47.1	-36	-176.5	-172.4	-93.1	0	0	0	113.5	R668 T681 C682 W683 H944 T946	R668-F679 HydrophobicContact CG-CE2 4.42Å; F679-T681 VanDerWaalsContact C-N 3.35Å; F679-T681 PolarHBondContact O-N 2.89Å; F679-C682 PolarHBondContact O-N 3.43Å; F679-W683 AromaticContact CE1-CD1 3.82Å; F679-W683 AromaticContact CZ-CD1 3.82Å; F679-W683 AromaticContact CZ-NE1 3.64Å; F679-H944 HydrophobicContact CD2-CB 4.2Å; F679-H944 HydrophobicContact CE2-CB 4.14Å; F679-H944 WeakPolarHBondContact CE2-O 3.43Å; F679-H944 WeakPolarHBondContact CZ-O 3.28Å; F679-T946 WeakPolarHBondContact CD1-O 3.44Å; F679-T946 WeakPolarHBondContact CE1-O 3.44Å
680	N	33.9	Very low	34	Very low	35 Å²	35	85.2 Å²	85.2	19%	0.187	41%	0.412	C	S	.	.	H	α-helix	trans	-76.4	-22.8	-172.6	-55.6	-34.9	0	0	0	113.8	S678 A684 D947 N948	S678-N680 PolarHBondContact O-N 2.73Å; N680-A684 WeakPolarHBondContact O-CB 3.39Å; N680-A684 PolarHBondContact O-N 2.96Å; N680-D947 VanDerWaalsContact OD1-CA 3.23Å; N680-D947 WeakPolarHBondContact OD1-CA 2.97Å; N680-N948 HydrophobicContact CB-CB 3.53Å; N680-N948 WeakPolarHBondContact CB-ND2 2.84Å; N680-N948 VanDerWaalsContact CG-CB 3.5Å; N680-N948 VanDerWaalsContact CG-OD1 3.22Å; N680-N948 PolarHBondContact ND2-OD1 3.32Å; N680-N948 WeakPolarHBondContact OD1-CA 3.26Å; N680-N948 PolarHBondContact OD1-N 3.11Å
681	T	35.3	Very low	33.4	Very low	48 Å²	48	92.9 Å²	92.9	29%	0.294	44%	0.439	S	S	.	.	H	α-helix	trans	-82.5	-26.1	173.7	6.7	0	0	0	0	112	V677 S678 F679 W683	V677-T681 VanDerWaalsContact CG1-CB 3.44Å; V677-T681 HydrophobicContact CG1-CG2 4.44Å; V677-T681 WeakPolarHBondContact CG1-OG1 3.37Å; S678-T681 PolarHBondContact O-N 3.35Å; S678-T681 PolarHBondContact O-OG1 3.41Å; S678-T681 PolarHBondContact OG-OG1 3.15Å; F679-T681 VanDerWaalsContact C-N 3.35Å; F679-T681 PolarHBondContact O-N 2.89Å; T681-W683 VanDerWaalsContact C-N 3.26Å; T681-W683 PolarHBondContact O-N 3.2Å
682	C	37.3	Very low	32.9	Very low	14 Å²	14	99.1 Å²	99.1	10%	0.095	46%	0.464	C	S	.	.	H	α-helix	trans	-66	-26.9	174.8	-78.1	0	0	0	0	112.9	W671 C672 F679	W671-C682 VanDerWaalsContact CE3-SG 3.53Å; C672-C682 WeakPolarHBondContact CB-SG 3.26Å; C672-C682 WeakPolarHBondContact SG-CB 3.36Å; C672-C682 CovalentContact SG-SG 2.06Å; C672-C682 PolarHBondContact SG-SG 3.15Å; F679-C682 PolarHBondContact O-N 3.43Å
683	W	34.8	Very low	32.4	Very low	58 Å²	58	106.2 Å²	106.2	22%	0.22	50%	0.496	C	S	.	.	S	Bend	trans	-107.1	-5.5	-176.8	-78	94.1	0	0	0	114.8	F679 T681 Y685 F953 N955	F679-W683 AromaticContact CE1-CD1 3.82Å; F679-W683 AromaticContact CZ-CD1 3.82Å; F679-W683 AromaticContact CZ-NE1 3.64Å; T681-W683 VanDerWaalsContact C-N 3.26Å; T681-W683 PolarHBondContact O-N 3.2Å; W683-Y685 PolarHBondContact O-N 3.45Å; W683-F953 HydrophobicContact CD2-CB 4.31Å; W683-F953 HydrophobicContact CE3-CB 3.54Å; W683-F953 HydrophobicContact CE3-CD2 4.37Å; W683-F953 HydrophobicContact CE3-CG 4Å; W683-F953 HydrophobicContact CH2-CB 3.93Å; W683-F953 HydrophobicContact CZ3-CB 3.3Å; W683-F953 HydrophobicContact CZ3-CG 4.19Å; W683-N955 WeakPolarHBondContact CZ3-ND2 3.45Å
684	A	28.9	Very low	32	Very low	37 Å²	37	109.4 Å²	109.4	31%	0.306	51%	0.508	S	S	.	.			trans	-68.7	91	-170.8	0	0	0	0	0	111.8	N680 P686	N680-A684 WeakPolarHBondContact O-CB 3.39Å; N680-A684 PolarHBondContact O-N 2.96Å; A684-P686 VanDerWaalsContact O-CD 3.26Å; A684-P686 WeakPolarHBondContact O-CD 3.36Å
685	Y	29.3	Very low	31.3	Very low	119 Å²	119	111 Å²	111	47%	0.467	51%	0.512	S	S	.	.			trans	-59.5	111.6	148.6	-145.3	-89.6	0	0	0	105.6	W683 Q687	W683-Y685 PolarHBondContact O-N 3.45Å; Y685-Q687 VanDerWaalsContact C-N 3.26Å; Y685-Q687 PolarHBondContact O-N 2.9Å
686	P	26.1	Very low	30.6	Very low	89 Å²	89	108.6 Å²	108.6	58%	0.578	52%	0.52	S	S	*	.			trans	-69.2	95.1	176.4	28.5	-29	0	0	0	106.3	A684 D688	A684-P686 VanDerWaalsContact O-CD 3.26Å; A684-P686 WeakPolarHBondContact O-CD 3.36Å; P686-D688 PolarHBondContact O-N 2.96Å
687	Q	25.3	Very low	29.8	Very low	110 Å²	110	106.4 Å²	106.4	51%	0.514	52%	0.517	S	S	.	.			trans	-60	108.4	160.2	-80.2	-171	-33.9	0	0	105.8	Y685 S689	Y685-Q687 VanDerWaalsContact C-N 3.26Å; Y685-Q687 PolarHBondContact O-N 2.9Å; Q687-S689 PolarHBondContact O-N 3.08Å
688	D	26.6	Very low	29.3	Very low	103 Å²	103	109.6 Å²	109.6	55%	0.551	54%	0.537	S	S	*	.			trans	-40.7	100.7	174	-92.1	-35.7	0	0	0	110.5	P686 Q690 Y691	P686-D688 PolarHBondContact O-N 2.96Å; D688-Q690 PolarHBondContact O-N 3.29Å; D688-Y691 PolarHBondContact O-N 3.47Å
689	S	28.3	Very low	28.7	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-12	176.8	54.3	0	0	0	0	111.8	Q687	Q687-S689 PolarHBondContact O-N 3.08Å
690	Q	28.7	Very low	28.3	Very low	152 Å²	152	123.8 Å²	123.8	71%	0.71	59%	0.592	S	S	*	*	H	α-helix	trans	-72.7	-23.9	177.3	-66.7	-166	-1.7	0	0	113.5	D688 Y692 Q693	D688-Q690 PolarHBondContact O-N 3.29Å; Q690-Y692 PolarHBondContact O-N 2.86Å; Q690-Q693 PolarHBondContact O-N 3.11Å
691	Y	28.6	Very low	28	Very low	182 Å²	182	127 Å²	127	71%	0.714	62%	0.615	S	S	*	*	H	α-helix	trans	-71.8	-33.4	-178	-158	-101	0	0	0	112.6	D688	D688-Y691 PolarHBondContact O-N 3.47Å
692	Y	27.4	Very low	27.6	Very low	187 Å²	187	134 Å²	134	73%	0.733	64%	0.641	S	S	*	*	H	α-helix	trans	-79.9	-18.3	179.1	-78.5	-79.9	0	0	0	114.3	Q690 R694	Q690-Y692 PolarHBondContact O-N 2.86Å; Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.43Å
693	Q	29.9	Very low	27	Very low	168 Å²	168	140.6 Å²	140.6	79%	0.785	68%	0.675	S	S	*	*	H	α-helix	trans	-74.2	-20.2	178.3	-75.8	-168.8	-10.5	0	0	113.8	Q690	Q690-Q693 PolarHBondContact O-N 3.11Å
694	R	30.6	Very low	26.8	Very low	236 Å²	236	141.7 Å²	141.7	89%	0.891	69%	0.691	S	S	*	*	S	Bend	trans	-88.7	-15.6	-179.1	-82	-172	178.3	179.2	1.8	115.3	Y692	Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.43Å
695	K	25.7	Very low	27.1	Very low	156 Å²	156	147.9 Å²	147.9	68%	0.678	71%	0.711	S	S	*	*	S	Bend	trans	-98.8	97	168	-80.4	-173.2	178.3	179	0	108.7	F697	K695-F697 VanDerWaalsContact C-N 3.26Å; K695-F697 PolarHBondContact O-N 2.98Å
696	S	23.8	Very low	27.5	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	72%	0.718	S	S	*	*			trans	-44.5	81.9	171	55	0	0	0	0	112.6
697	F	23.2	Very low	28	Very low	186 Å²	186	150.5 Å²	150.5	82%	0.816	72%	0.718	S	S	*	*			trans	-86.7	103.7	152.4	-83.2	-79.8	0	0	0	106.4	K695 K699	K695-F697 VanDerWaalsContact C-N 3.26Å; K695-F697 PolarHBondContact O-N 2.98Å; F697-K699 PolarHBondContact O-N 3.19Å
698	T	24.7	Very low	28.8	Very low	113 Å²	113	149.3 Å²	149.3	69%	0.693	72%	0.718	S	S	*	*			trans	-35.1	116.7	172	43.8	0	0	0	0	112.6	F700	T698-F700 PolarHBondContact O-N 2.8Å
699	K	23.4	Very low	29.6	Very low	205 Å²	205	148.1 Å²	148.1	89%	0.891	71%	0.712	S	S	*	*			trans	13.9	94.6	152.4	-69.2	177	175.9	176.9	0	115.5	F697	F697-K699 PolarHBondContact O-N 3.19Å
700	F	23.2	Very low	30.5	Very low	196 Å²	196	149.6 Å²	149.6	86%	0.86	71%	0.708	S	S	*	*			trans	-98.6	112.6	154.5	-84.4	-80.5	0	0	0	109	T698 F702	T698-F700 PolarHBondContact O-N 2.8Å; F700-F702 PolarHBondContact O-N 2.84Å
701	P	27.6	Very low	31.1	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	69%	0.685	S	S	*	*			trans	-98.1	86	-173.5	36.3	-28.8	0	0	0	110.8
702	F	25.5	Very low	32	Very low	194 Å²	194	138.7 Å²	138.7	85%	0.851	67%	0.666	S	S	*	*			trans	-144.1	86.2	162.2	-82.5	-76.3	0	0	0	109.6	F700	F700-F702 PolarHBondContact O-N 2.84Å
703	L	25.5	Very low	33.2	Very low	153 Å²	153	134.7 Å²	134.7	80%	0.801	66%	0.657	S	S	*	*	S	Bend	trans	165.9	79.8	154	-90	162.6	0	0	0	104.2	K705	L703-K705 PolarHBondContact O-N 3.33Å
704	S	31.1	Very low	34.2	Very low	81 Å²	81	130.9 Å²	130.9	57%	0.566	64%	0.642	S	S	*	*			trans	-64.1	132.1	-178.8	62	0	0	0	0	108.9	N706 Y707	S704-N706 PolarHBondContact O-N 3.49Å; S704-Y707 PolarHBondContact O-N 3.29Å
705	K	34.4	Very low	35.1	Very low	167 Å²	167	119.7 Å²	119.7	73%	0.726	60%	0.6	S	S	*	*	H	α-helix	trans	-44.4	-32.2	177	-142.1	171.9	-178.3	-179	0	112.6	L703 Y707 V708 D709	L703-K705 PolarHBondContact O-N 3.33Å; K705-Y707 VanDerWaalsContact C-N 3.32Å; K705-Y707 PolarHBondContact O-N 2.87Å; K705-V708 PolarHBondContact O-N 3.3Å; K705-D709 PolarHBondContact O-N 3.47Å
706	N	37.6	Very low	36.1	Very low	115 Å²	115	116.3 Å²	116.3	62%	0.615	59%	0.589	S	S	*	*	H	α-helix	trans	-55.5	-34.5	175.7	-74.6	3.4	0	0	0	115.1	S704 Q710	S704-N706 PolarHBondContact O-N 3.49Å; N706-Q710 WeakPolarHBondContact O-CB 3.47Å; N706-Q710 PolarHBondContact O-N 3.25Å
707	Y	37.9	Very low	37.5	Very low	148 Å²	148	114.4 Å²	114.4	58%	0.58	58%	0.576	S	S	*	*	H	α-helix	trans	-72.5	-41	-179.6	-170.5	-101.2	0	0	0	111.5	S704 K705 Q710 L711	S704-Y707 PolarHBondContact O-N 3.29Å; K705-Y707 VanDerWaalsContact C-N 3.32Å; K705-Y707 PolarHBondContact O-N 2.87Å; Y707-Q710 PolarHBondContact O-N 2.84Å; Y707-L711 HydrophobicContact CD1-CD1 3.99Å; Y707-L711 HydrophobicContact CE1-CD1 3.4Å; Y707-L711 VanDerWaalsContact CE1-CD1 3.4Å; Y707-L711 WeakPolarHBondContact O-CB 3.22Å; Y707-L711 PolarHBondContact O-N 3.16Å
708	V	40.4	Very low	38.6	Very low	84 Å²	84	108.4 Å²	108.4	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-67.9	-41.4	176.1	-179.7	0	0	0	0	110.4	K705 L711 M712	K705-V708 PolarHBondContact O-N 3.3Å; V708-L711 PolarHBondContact O-N 3.3Å; V708-M712 HydrophobicContact CG1-CG 4.48Å; V708-M712 WeakPolarHBondContact O-CB 3.23Å; V708-M712 WeakPolarHBondContact O-CG 3.46Å; V708-M712 PolarHBondContact O-N 3.05Å
709	D	44.3	Very low	39.5	Very low	79 Å²	79	107.7 Å²	107.7	42%	0.422	54%	0.54	S	S	.	.	H	α-helix	trans	-66.3	-38.7	177.2	-68.5	-26.2	0	0	0	111.8	K705 M712 N713	K705-D709 PolarHBondContact O-N 3.47Å; D709-M712 PolarHBondContact O-N 3.01Å; D709-N713 WeakPolarHBondContact O-CB 3Å; D709-N713 PolarHBondContact O-N 3.12Å; D709-N713 PolarHBondContact O-ND2 2.87Å
710	Q	46.4	Very low	40.1	Very low	126 Å²	126	100.7 Å²	100.7	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-64.2	-41.6	171.6	-89.9	-173.5	-25.6	0	0	112.4	N706 Y707 N713 N714	N706-Q710 WeakPolarHBondContact O-CB 3.47Å; N706-Q710 PolarHBondContact O-N 3.25Å; Y707-Q710 PolarHBondContact O-N 2.84Å; Q710-N713 PolarHBondContact O-N 3.05Å; Q710-N714 WeakPolarHBondContact O-CB 3.14Å; Q710-N714 VanDerWaalsContact O-CG 3.28Å; Q710-N714 PolarHBondContact O-N 2.79Å; Q710-N714 PolarHBondContact O-ND2 2.82Å
711	L	42.8	Very low	40.9	Very low	40 Å²	40	98.2 Å²	98.2	21%	0.209	52%	0.52	C	S	.	.	H	α-helix	trans	-65	-42	178.1	-124.5	144.6	0	0	0	111.3	Y707 V708 N714 C715 F743 I750	Y707-L711 HydrophobicContact CD1-CD1 3.99Å; Y707-L711 HydrophobicContact CE1-CD1 3.4Å; Y707-L711 VanDerWaalsContact CE1-CD1 3.4Å; Y707-L711 WeakPolarHBondContact O-CB 3.22Å; Y707-L711 PolarHBondContact O-N 3.16Å; V708-L711 PolarHBondContact O-N 3.3Å; L711-N714 PolarHBondContact O-N 2.98Å; L711-C715 PolarHBondContact O-N 2.88Å; L711-C715 PolarHBondContact O-SG 3.26Å; L711-F743 HydrophobicContact CD2-CE2 4.41Å; L711-F743 HydrophobicContact CD2-CZ 4.47Å; L711-I750 HydrophobicContact CD2-CD1 4.26Å
712	M	46.4	Very low	41.3	Very low	64 Å²	64	98.3 Å²	98.3	32%	0.315	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-40.8	174.9	-74.2	-62.2	-69.3	0	0	112.3	V708 D709 N714 C715 N716 I750	V708-M712 HydrophobicContact CG1-CG 4.48Å; V708-M712 WeakPolarHBondContact O-CB 3.23Å; V708-M712 WeakPolarHBondContact O-CG 3.46Å; V708-M712 PolarHBondContact O-N 3.05Å; D709-M712 PolarHBondContact O-N 3.01Å; M712-N714 VanDerWaalsContact C-N 3.33Å; M712-N714 PolarHBondContact O-N 2.73Å; M712-C715 PolarHBondContact O-N 2.7Å; M712-N716 WeakPolarHBondContact O-CB 3.29Å; M712-N716 VanDerWaalsContact O-CG 3.3Å; M712-N716 PolarHBondContact O-N 3.34Å; M712-N716 PolarHBondContact O-ND2 2.82Å; M712-I750 HydrophobicContact SD-CG2 4.07Å
713	N	53.3	Low	41.5	Very low	104 Å²	104	92.6 Å²	92.6	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-38.1	174.8	-76.4	-22	0	0	0	112.1	D709 Q710 N716 S717	D709-N713 WeakPolarHBondContact O-CB 3Å; D709-N713 PolarHBondContact O-N 3.12Å; D709-N713 PolarHBondContact O-ND2 2.87Å; Q710-N713 PolarHBondContact O-N 3.05Å; N713-N716 PolarHBondContact O-N 2.78Å; N713-S717 PolarHBondContact O-N 3.35Å; N713-S717 PolarHBondContact O-OG 2.89Å
714	N	51.4	Low	41.8	Very low	88 Å²	88	91.4 Å²	91.4	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-69.8	-34.5	174.5	-74	-17.5	0	0	0	112.6	Q710 L711 M712 S717 F743	Q710-N714 WeakPolarHBondContact O-CB 3.14Å; Q710-N714 VanDerWaalsContact O-CG 3.28Å; Q710-N714 PolarHBondContact O-N 2.79Å; Q710-N714 PolarHBondContact O-ND2 2.82Å; L711-N714 PolarHBondContact O-N 2.98Å; M712-N714 VanDerWaalsContact C-N 3.33Å; M712-N714 PolarHBondContact O-N 2.73Å; N714-S717 PolarHBondContact O-OG 2.93Å; N714-F743 HydrophobicContact CB-CZ 4.47Å
715	C	48.1	Very low	41.8	Very low	0 Å²	0	92 Å²	92	0%	0	52%	0.516	C	S	.	.	H	α-helix	trans	-69.1	-40.4	172.7	-67.4	0	0	0	0	111.4	L711 M712 L718 F719 C747	L711-C715 PolarHBondContact O-N 2.88Å; L711-C715 PolarHBondContact O-SG 3.26Å; M712-C715 PolarHBondContact O-N 2.7Å; C715-L718 WeakPolarHBondContact O-CB 3.31Å; C715-L718 PolarHBondContact O-N 2.85Å; C715-F719 VanDerWaalsContact O-CD2 3.25Å; C715-F719 WeakPolarHBondContact O-CD2 3.12Å; C715-C747 VanDerWaalsContact CA-SG 3.53Å; C715-C747 HydrophobicContact CB-CB 3.8Å; C715-C747 WeakPolarHBondContact CB-SG 3.46Å; C715-C747 VanDerWaalsContact SG-CA 3.55Å; C715-C747 WeakPolarHBondContact SG-CB 3.49Å; C715-C747 CovalentContact SG-SG 2.04Å; C715-C747 PolarHBondContact SG-SG 2.87Å
716	N	47.3	Very low	41.6	Very low	86 Å²	86	91.3 Å²	91.3	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-68.4	-40.4	-179.9	-73.9	-19.6	0	0	0	112.7	M712 N713 L718 F719 S720	M712-N716 WeakPolarHBondContact O-CB 3.29Å; M712-N716 VanDerWaalsContact O-CG 3.3Å; M712-N716 PolarHBondContact O-N 3.34Å; M712-N716 PolarHBondContact O-ND2 2.82Å; N713-N716 PolarHBondContact O-N 2.78Å; N716-L718 PolarHBondContact O-N 3.39Å; N716-F719 PolarHBondContact O-N 2.96Å; N716-S720 PolarHBondContact O-N 3.49Å; N716-S720 PolarHBondContact O-OG 3.42Å
717	S	52.9	Low	41.3	Very low	71 Å²	71	93.7 Å²	93.7	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-26.9	177.1	68.1	0	0	0	0	113	N713 N714 F719	N713-S717 PolarHBondContact O-N 3.35Å; N713-S717 PolarHBondContact O-OG 2.89Å; N714-S717 PolarHBondContact O-OG 2.93Å; S717-F719 VanDerWaalsContact C-N 3.33Å; S717-F719 PolarHBondContact O-N 3.24Å
718	L	46.6	Very low	40.8	Very low	59 Å²	59	93.8 Å²	93.8	31%	0.309	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.6	178.7	-131.6	111.4	0	0	0	113.8	C715 N716 Y740	C715-L718 WeakPolarHBondContact O-CB 3.31Å; C715-L718 PolarHBondContact O-N 2.85Å; N716-L718 PolarHBondContact O-N 3.39Å; L718-Y740 HydrophobicContact CD2-CE2 4.24Å
719	F	43.2	Very low	40.3	Very low	99 Å²	99	98.9 Å²	98.9	43%	0.434	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	4.7	-178.1	-68.2	-72	0	0	0	113.7	C715 N716 S717 C747 I751	C715-F719 VanDerWaalsContact O-CD2 3.25Å; C715-F719 WeakPolarHBondContact O-CD2 3.12Å; N716-F719 PolarHBondContact O-N 2.96Å; S717-F719 VanDerWaalsContact C-N 3.33Å; S717-F719 PolarHBondContact O-N 3.24Å; F719-C747 HydrophobicContact CE2-CB 4.45Å; F719-I751 HydrophobicContact CE2-CD1 4.46Å
720	S	36.7	Very low	39.6	Very low	58 Å²	58	102.1 Å²	102.1	41%	0.406	57%	0.565	S	S	.	*			trans	-68.9	126.2	173.8	-68.8	0	0	0	0	111.2	N716 S722	N716-S720 PolarHBondContact O-N 3.49Å; N716-S720 PolarHBondContact O-OG 3.42Å; S720-S722 PolarHBondContact O-N 2.93Å
721	P	38.8	Very low	39	Very low	143 Å²	143	105.6 Å²	105.6	93%	0.929	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	3.3	-168.5	-18.1	30.6	0	0	0	117.1
722	S	36.3	Very low	38.5	Very low	105 Å²	105	110.9 Å²	110.9	73%	0.734	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	4.6	-168.1	55.9	0	0	0	0	116.2	S720 S724	S720-S722 PolarHBondContact O-N 2.93Å; S722-S724 PolarHBondContact O-N 2.65Å; S722-S724 VanDerWaalsContact O-N 3.17Å
723	S	31.1	Very low	37.7	Very low	75 Å²	75	113.2 Å²	113.2	52%	0.524	63%	0.625	S	S	.	*			trans	-91.3	62.9	-179.7	56.8	0	0	0	0	113	S725	S723-S725 PolarHBondContact O-N 3.04Å; S723-S725 VanDerWaalsContact O-N 3.09Å
724	S	31.3	Very low	36.6	Very low	127 Å²	127	115.2 Å²	115.2	89%	0.888	64%	0.641	S	S	*	*			trans	-77.4	25.4	173.2	61.8	0	0	0	0	114.3	S722	S722-S724 PolarHBondContact O-N 2.65Å; S722-S724 VanDerWaalsContact O-N 3.17Å
725	S	30.7	Very low	35.6	Very low	95 Å²	95	115.7 Å²	115.7	66%	0.664	65%	0.651	S	S	*	*			trans	-126.6	62.5	-177.6	70.9	0	0	0	0	112.6	S723	S723-S725 PolarHBondContact O-N 3.04Å; S723-S725 VanDerWaalsContact O-N 3.09Å
726	F	29.8	Very low	34.8	Very low	152 Å²	152	122.8 Å²	122.8	67%	0.667	68%	0.684	S	S	*	*			trans	-137.5	50.7	165.8	-91.8	-77.4	0	0	0	111.3	Y729	F726-Y729 AromaticContact CD1-CD2 3.97Å; F726-Y729 HydrophobicContact CD1-CD2 3.97Å; F726-Y729 AromaticContact CD1-CE2 3.68Å; F726-Y729 HydrophobicContact CD1-CE2 3.68Å; F726-Y729 AromaticContact CE1-CE2 3.85Å; F726-Y729 HydrophobicContact CE1-CE2 3.85Å
727	N	30.8	Very low	34.2	Very low	164 Å²	164	123.3 Å²	123.3	88%	0.877	69%	0.692	S	S	*	*			trans	-93.1	10.7	168.8	-96.1	-5.6	0	0	0	114
728	N	28.9	Very low	33.5	Very low	150 Å²	150	125.9 Å²	125.9	80%	0.802	70%	0.699	S	S	*	*			trans	-116.7	40.5	-180	-83.6	-4	0	0	0	114	N730	N728-N730 PolarHBondContact O-N 2.97Å; N728-N730 VanDerWaalsContact O-N 3.14Å
729	Y	29.4	Very low	32.9	Very low	192 Å²	192	128.3 Å²	128.3	75%	0.753	71%	0.712	S	S	*	*			trans	-79.4	96.9	163.5	-100.6	-82	0	0	0	109.9	F726	F726-Y729 AromaticContact CD1-CD2 3.97Å; F726-Y729 HydrophobicContact CD1-CD2 3.97Å; F726-Y729 AromaticContact CD1-CE2 3.68Å; F726-Y729 HydrophobicContact CD1-CE2 3.68Å; F726-Y729 AromaticContact CE1-CE2 3.85Å; F726-Y729 HydrophobicContact CE1-CE2 3.85Å
730	N	29.3	Very low	32.6	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	72%	0.716	S	S	*	*			trans	-51.4	134.8	175.2	-90.7	-28.1	0	0	0	112.3	N728 N732	N728-N730 PolarHBondContact O-N 2.97Å; N728-N730 VanDerWaalsContact O-N 3.14Å; N730-N732 PolarHBondContact O-N 3.23Å
731	K	34.2	Very low	33	Very low	200 Å²	200	132.6 Å²	132.6	87%	0.87	73%	0.726	S	S	*	*	S	Bend	trans	-62.8	15.3	-169.8	-93.6	-179.8	174.4	178.2	0	118.5
732	N	31.9	Very low	33.1	Very low	151 Å²	151	130.1 Å²	130.1	81%	0.807	70%	0.704	S	S	*	*			trans	-120.6	23.7	-166.7	-79.3	3	0	0	0	117.8	N730	N730-N732 PolarHBondContact O-N 3.23Å
733	T	29.4	Very low	33.3	Very low	113 Å²	113	128.8 Å²	128.8	69%	0.693	69%	0.686	S	S	*	*			trans	-128.2	85.7	168	49.5	0	0	0	0	112.4	S735	T733-S735 PolarHBondContact O-N 3.28Å
734	T	31.2	Very low	33.9	Very low	146 Å²	146	129.5 Å²	129.5	90%	0.896	68%	0.679	S	S	*	*			trans	-71.8	76.8	165.1	45.4	0	0	0	0	110
735	S	29.1	Very low	34.6	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	67%	0.671	S	S	*	*	S	Bend	trans	174.9	61.7	159.3	45.7	0	0	0	0	112.4	T733	T733-S735 PolarHBondContact O-N 3.28Å
736	Q	31.2	Very low	35.1	Very low	150 Å²	150	132.2 Å²	132.2	70%	0.701	66%	0.662	S	S	*	*			trans	-158.2	24.5	165.9	-116.1	165	45.8	0	0	119.9	I738	Q736-I738 PolarHBondContact O-N 2.88Å
737	P	36.3	Very low	35.7	Very low	96 Å²	96	125 Å²	125	62%	0.623	63%	0.63	S	S	*	*	H	α-helix	trans	-74.8	-21.5	174.9	29.6	-31.8	0	0	0	114
738	I	36.9	Very low	36.3	Very low	126 Å²	126	123.5 Å²	123.5	65%	0.646	62%	0.616	S	S	*	*	H	α-helix	trans	-73.3	-39.8	-172.9	-61.8	173.3	0	0	0	112.1	Q736 L742	Q736-I738 PolarHBondContact O-N 2.88Å; I738-L742 HydrophobicContact CG2-CD1 3.89Å; I738-L742 PolarHBondContact O-N 3.37Å; I738-L742 VanDerWaalsContact O-N 3.13Å
739	N	33.6	Very low	36.8	Very low	110 Å²	110	121 Å²	121	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-72.2	-34.3	-177.3	-81.2	-9.3	0	0	0	113.4	L742 F743	N739-L742 PolarHBondContact O-N 3.31Å; N739-F743 WeakPolarHBondContact O-CB 3.44Å; N739-F743 PolarHBondContact O-N 3.4Å
740	Y	38.3	Very low	37.1	Very low	130 Å²	130	114.5 Å²	114.5	51%	0.51	58%	0.58	S	S	.	*	H	α-helix	trans	-68.4	-40.5	177.2	-178.5	-99	0	0	0	112	L718 F743 K744	L718-Y740 HydrophobicContact CD2-CE2 4.24Å; Y740-F743 PolarHBondContact O-N 2.95Å; Y740-K744 HydrophobicContact CE1-CD 4.29Å; Y740-K744 WeakPolarHBondContact O-CB 3.4Å; Y740-K744 PolarHBondContact O-N 3.42Å
741	L	44	Very low	37.6	Very low	117 Å²	117	110.9 Å²	110.9	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-64.7	-40.8	175.5	-90.9	157.2	0	0	0	112	R745	L741-R745 WeakPolarHBondContact O-CB 3.38Å; L741-R745 PolarHBondContact O-N 2.83Å
742	L	40.7	Very low	37.8	Very low	91 Å²	91	107.5 Å²	107.5	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-47.2	174.3	-87.3	159.1	0	0	0	111.7	I738 N739 K744 R745 L746	I738-L742 HydrophobicContact CG2-CD1 3.89Å; I738-L742 PolarHBondContact O-N 3.37Å; I738-L742 VanDerWaalsContact O-N 3.13Å; N739-L742 PolarHBondContact O-N 3.31Å; L742-K744 PolarHBondContact O-N 2.88Å; L742-R745 WeakPolarHBondContact O-CB 3.47Å; L742-R745 PolarHBondContact O-N 3.46Å; L742-L746 WeakPolarHBondContact O-CB 3.49Å; L742-L746 PolarHBondContact O-N 3.39Å
743	F	41.2	Very low	37.8	Very low	77 Å²	77	107.1 Å²	107.1	34%	0.338	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-41.1	179.5	-166.8	-99.5	0	0	0	112	L711 N714 N739 Y740 R745 L746 C747	L711-F743 HydrophobicContact CD2-CE2 4.41Å; L711-F743 HydrophobicContact CD2-CZ 4.47Å; N714-F743 HydrophobicContact CB-CZ 4.47Å; N739-F743 WeakPolarHBondContact O-CB 3.44Å; N739-F743 PolarHBondContact O-N 3.4Å; Y740-F743 PolarHBondContact O-N 2.95Å; F743-R745 VanDerWaalsContact C-N 3.34Å; F743-R745 PolarHBondContact O-N 3.14Å; F743-L746 PolarHBondContact O-N 2.85Å; F743-C747 PolarHBondContact O-N 2.78Å
744	K	44.8	Very low	37.7	Very low	90 Å²	90	107.4 Å²	107.4	39%	0.391	54%	0.542	S	S	.	.	H	α-helix	trans	-63.9	-38.1	174	-168.1	173.5	-175.8	172.7	0	111.9	Y740 L742 K748	Y740-K744 HydrophobicContact CE1-CD 4.29Å; Y740-K744 WeakPolarHBondContact O-CB 3.4Å; Y740-K744 PolarHBondContact O-N 3.42Å; L742-K744 PolarHBondContact O-N 2.88Å; K744-K748 WeakPolarHBondContact O-CB 3.36Å; K744-K748 PolarHBondContact O-N 3.43Å; K744-K748 VanDerWaalsContact O-N 3.08Å
745	R	45.5	Very low	37.5	Very low	188 Å²	188	106.5 Å²	106.5	71%	0.709	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-43	172.5	-113.3	179.1	173.6	171.6	-1.9	111.6	L741 L742 F743 K748 L749	L741-R745 WeakPolarHBondContact O-CB 3.38Å; L741-R745 PolarHBondContact O-N 2.83Å; L742-R745 WeakPolarHBondContact O-CB 3.47Å; L742-R745 PolarHBondContact O-N 3.46Å; F743-R745 VanDerWaalsContact C-N 3.34Å; F743-R745 PolarHBondContact O-N 3.14Å; R745-K748 PolarHBondContact O-N 2.82Å; R745-L749 WeakPolarHBondContact O-CB 3.05Å; R745-L749 VanDerWaalsContact O-CG 3.32Å; R745-L749 WeakPolarHBondContact O-CG 3.31Å; R745-L749 PolarHBondContact O-N 3.13Å
746	L	41.2	Very low	37.4	Very low	91 Å²	91	110.1 Å²	110.1	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-47.6	178.6	-116.9	133.6	0	0	0	111.8	L742 F743 K748 L749 I750	L742-L746 WeakPolarHBondContact O-CB 3.49Å; L742-L746 PolarHBondContact O-N 3.39Å; F743-L746 PolarHBondContact O-N 2.85Å; L746-K748 VanDerWaalsContact C-N 3.29Å; L746-K748 PolarHBondContact O-N 3.47Å; L746-L749 PolarHBondContact O-N 2.88Å; L746-I750 HydrophobicContact CD2-CD1 4.04Å; L746-I750 WeakPolarHBondContact O-CG1 3.39Å; L746-I750 PolarHBondContact O-N 3.32Å
747	C	42.4	Very low	37.1	Very low	1 Å²	1	111 Å²	111	1%	0.007	54%	0.538	C	S	.	.	H	α-helix	trans	-60.2	-39.3	174.1	-78.4	0	0	0	0	112	C715 F719 F743 I751	C715-C747 VanDerWaalsContact CA-SG 3.53Å; C715-C747 HydrophobicContact CB-CB 3.8Å; C715-C747 WeakPolarHBondContact CB-SG 3.46Å; C715-C747 VanDerWaalsContact SG-CA 3.55Å; C715-C747 WeakPolarHBondContact SG-CB 3.49Å; C715-C747 CovalentContact SG-SG 2.04Å; C715-C747 PolarHBondContact SG-SG 2.87Å; F719-C747 HydrophobicContact CE2-CB 4.45Å; F743-C747 PolarHBondContact O-N 2.78Å; C747-I751 WeakPolarHBondContact O-CB 3.3Å; C747-I751 VanDerWaalsContact O-CG1 3.26Å; C747-I751 WeakPolarHBondContact O-CG1 3.31Å; C747-I751 PolarHBondContact O-N 2.74Å; C747-I751 VanDerWaalsContact O-N 3.08Å
748	K	44	Very low	36.8	Very low	131 Å²	131	108.5 Å²	108.5	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-38.6	177.4	-146.3	178.5	-172	-175	0	112.2	K744 R745 L746 Q752	K744-K748 WeakPolarHBondContact O-CB 3.36Å; K744-K748 PolarHBondContact O-N 3.43Å; K744-K748 VanDerWaalsContact O-N 3.08Å; R745-K748 PolarHBondContact O-N 2.82Å; L746-K748 VanDerWaalsContact C-N 3.29Å; L746-K748 PolarHBondContact O-N 3.47Å; K748-Q752 WeakPolarHBondContact O-CB 3.32Å; K748-Q752 VanDerWaalsContact O-CG 3.29Å; K748-Q752 WeakPolarHBondContact O-CG 3.38Å; K748-Q752 PolarHBondContact O-N 2.75Å; K748-Q752 VanDerWaalsContact O-N 3.16Å
749	L	38.9	Very low	36.6	Very low	97 Å²	97	107.5 Å²	107.5	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-43.2	176.6	-77.3	163.9	0	0	0	112.1	R745 L746 Q752 Q753	R745-L749 WeakPolarHBondContact O-CB 3.05Å; R745-L749 VanDerWaalsContact O-CG 3.32Å; R745-L749 WeakPolarHBondContact O-CG 3.31Å; R745-L749 PolarHBondContact O-N 3.13Å; L746-L749 PolarHBondContact O-N 2.88Å; L749-Q752 PolarHBondContact O-N 2.89Å; L749-Q753 WeakPolarHBondContact O-CG 3.42Å; L749-Q753 PolarHBondContact O-N 3.08Å; L749-Q753 VanDerWaalsContact O-N 3.15Å
750	I	36.2	Very low	36.6	Very low	57 Å²	57	105.5 Å²	105.5	29%	0.292	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-43.2	179.3	-67.5	167.8	0	0	0	110.9	L711 M712 L746 Q752 Q753	L711-I750 HydrophobicContact CD2-CD1 4.26Å; M712-I750 HydrophobicContact SD-CG2 4.07Å; L746-I750 HydrophobicContact CD2-CD1 4.04Å; L746-I750 WeakPolarHBondContact O-CG1 3.39Å; L746-I750 PolarHBondContact O-N 3.32Å; I750-Q752 VanDerWaalsContact C-N 3.26Å; I750-Q752 PolarHBondContact O-N 2.6Å; I750-Q753 PolarHBondContact O-N 3.17Å
751	I	38.9	Very low	36.6	Very low	69 Å²	69	102.1 Å²	102.1	35%	0.354	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-29.9	177.7	-66.3	169	0	0	0	111.5	F719 C747 T754	F719-I751 HydrophobicContact CE2-CD1 4.46Å; C747-I751 WeakPolarHBondContact O-CB 3.3Å; C747-I751 VanDerWaalsContact O-CG1 3.26Å; C747-I751 WeakPolarHBondContact O-CG1 3.31Å; C747-I751 PolarHBondContact O-N 2.74Å; C747-I751 VanDerWaalsContact O-N 3.08Å; I751-T754 PolarHBondContact O-OG1 3.37Å
752	Q	39.1	Very low	36.4	Very low	129 Å²	129	99.2 Å²	99.2	60%	0.603	49%	0.485	S	S	*	.	H	α-helix	trans	-77.9	-20.3	176.2	-76.8	-179.7	-36.6	0	0	113.6	K748 L749 I750 T754	K748-Q752 WeakPolarHBondContact O-CB 3.32Å; K748-Q752 VanDerWaalsContact O-CG 3.29Å; K748-Q752 WeakPolarHBondContact O-CG 3.38Å; K748-Q752 PolarHBondContact O-N 2.75Å; K748-Q752 VanDerWaalsContact O-N 3.16Å; L749-Q752 PolarHBondContact O-N 2.89Å; I750-Q752 VanDerWaalsContact C-N 3.26Å; I750-Q752 PolarHBondContact O-N 2.6Å; Q752-T754 VanDerWaalsContact C-N 3.35Å; Q752-T754 PolarHBondContact O-N 2.67Å
753	Q	31.9	Very low	36.4	Very low	143 Å²	143	99.2 Å²	99.2	67%	0.668	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-11.4	-178.5	-82.6	-178.2	-8.9	0	0	114.8	L749 I750 I755	L749-Q753 WeakPolarHBondContact O-CG 3.42Å; L749-Q753 PolarHBondContact O-N 3.08Å; L749-Q753 VanDerWaalsContact O-N 3.15Å; I750-Q753 PolarHBondContact O-N 3.17Å; Q753-I755 VanDerWaalsContact C-N 3.27Å; Q753-I755 PolarHBondContact O-N 2.82Å
754	T	26.8	Very low	36.4	Very low	119 Å²	119	97.1 Å²	97.1	73%	0.73	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.2	179.1	45.2	0	0	0	0	114.1	I751 Q752	I751-T754 PolarHBondContact O-OG1 3.37Å; Q752-T754 VanDerWaalsContact C-N 3.35Å; Q752-T754 PolarHBondContact O-N 2.67Å
755	I	26.2	Very low	36.2	Very low	127 Å²	127	94.7 Å²	94.7	65%	0.651	46%	0.463	S	S	*	.	S	Bend	trans	-128.4	135.8	179	-44.7	-179.5	0	0	0	108.5	Q753	Q753-I755 VanDerWaalsContact C-N 3.27Å; Q753-I755 PolarHBondContact O-N 2.82Å
756	E	26.7	Very low	36.3	Very low	174 Å²	174	86.8 Å²	86.8	81%	0.813	43%	0.433	S	S	*	.			trans	97.4	98.8	170	-50.9	-169.6	171.1	0	0	115.9
757	K	26.7	Very low	36.5	Very low	169 Å²	169	83.2 Å²	83.2	74%	0.735	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-57.9	141.2	170.1	-67.7	176.6	174.6	-176.8	0	110.4	Y759	K757-Y759 WeakPolarHBondContact O-CD2 3.38Å; K757-Y759 WeakPolarHBondContact O-CE2 3.34Å
758	S	28.6	Very low	36.8	Very low	42 Å²	42	84.4 Å²	84.4	29%	0.294	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-71.2	121.3	-176.3	47.3	0	0	0	0	112.2
759	Y	32.9	Very low	37.3	Very low	105 Å²	105	79 Å²	79	41%	0.412	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-99.7	129.5	170.9	-61	-81.2	0	0	0	109.2	K757	K757-Y759 WeakPolarHBondContact O-CD2 3.38Å; K757-Y759 WeakPolarHBondContact O-CE2 3.34Å
760	S	33.2	Very low	38	Very low	69 Å²	69	74.5 Å²	74.5	48%	0.483	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-92.6	146.2	178.6	57.8	0	0	0	0	112
761	P	38.2	Very low	38.9	Very low	58 Å²	58	72.4 Å²	72.4	38%	0.377	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-99.1	133	-168.7	33.8	-27.8	0	0	0	116.2	W763	P761-W763 PolarHBondContact O-N 2.82Å
762	D	40.9	Very low	39.8	Very low	57 Å²	57	70.4 Å²	70.4	31%	0.305	36%	0.359	S	S	.	.				40.4	52.7	127.3	-57.2	-14.1	0	0	0	122.3	F764 V765	D762-F764 PolarHBondContact O-N 3.28Å; D762-V765 PolarHBondContact O-N 3.44Å
763	W	41.1	Very low	41	Very low	91 Å²	91	64.4 Å²	64.4	35%	0.345	33%	0.331	S	S	.	.	H	α-helix	trans	-46.9	-22.3	164.9	61.4	-85.7	0	0	0	115.7	P761 A767 W786 Y957 I1080	P761-W763 PolarHBondContact O-N 2.82Å; W763-A767 WeakPolarHBondContact O-CB 3.49Å; W763-A767 PolarHBondContact O-N 3.37Å; W763-A767 VanDerWaalsContact O-N 3.1Å; W763-W786 AromaticContact CH2-CH2 3.77Å; W763-W786 HydrophobicContact CH2-CH2 3.77Å; W763-W786 HydrophobicContact CH2-CZ2 4.5Å; W763-W786 AromaticContact CZ3-CH2 3.76Å; W763-W786 HydrophobicContact CZ3-CH2 3.76Å; W763-W786 HydrophobicContact CZ3-CZ2 4.14Å; W763-Y957 HydrophobicContact CB-CD1 4.12Å; W763-Y957 HydrophobicContact CB-CE1 3.76Å; W763-I1080 HydrophobicContact CH2-CD1 3.62Å; W763-I1080 HydrophobicContact CZ2-CD1 3.61Å
764	F	39.6	Very low	42.4	Very low	32 Å²	32	57.6 Å²	57.6	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-41.1	179.3	-83.8	-77.7	0	0	0	114.3	D762 A767 S768 I1076 I1080	D762-F764 PolarHBondContact O-N 3.28Å; F764-A767 PolarHBondContact O-N 3.31Å; F764-S768 WeakPolarHBondContact O-CB 3.42Å; F764-S768 PolarHBondContact O-N 3.48Å; F764-I1076 HydrophobicContact CB-CG2 4.34Å; F764-I1076 HydrophobicContact CD2-CG2 3.8Å; F764-I1076 HydrophobicContact CE2-CG2 4.14Å; F764-I1076 WeakPolarHBondContact CE2-O 3.32Å; F764-I1076 HydrophobicContact CG-CG2 4.08Å; F764-I1076 VanDerWaalsContact CZ-O 3.29Å; F764-I1076 WeakPolarHBondContact CZ-O 3.26Å; F764-I1080 HydrophobicContact CE2-CD1 4.37Å; F764-I1080 HydrophobicContact CZ-CD1 3.74Å
765	V	42	Very low	44.1	Very low	40 Å²	40	53.3 Å²	53.3	24%	0.242	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-42.7	-178.7	-179.1	0	0	0	0	109.8	I667 D762 A767 S768 I769	I667-V765 HydrophobicContact CD1-CB 3.86Å; I667-V765 HydrophobicContact CD1-CG1 3.8Å; I667-V765 HydrophobicContact CG1-CG1 4.43Å; D762-V765 PolarHBondContact O-N 3.44Å; V765-A767 PolarHBondContact O-N 3.49Å; V765-S768 PolarHBondContact O-N 3.4Å; V765-S768 PolarHBondContact O-OG 2.97Å; V765-I769 HydrophobicContact CG1-CD1 4.15Å; V765-I769 PolarHBondContact O-N 3.43Å; V765-I769 VanDerWaalsContact O-N 3.14Å
766	H	46	Very low	46.1	Very low	21 Å²	21	47.9 Å²	47.9	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-48.8	171.8	-69.3	-80.8	0	0	0	111.8	S663 S768 T770 Y957	S663-H766 VanDerWaalsContact C-CE1 3.44Å; S663-H766 WeakPolarHBondContact CB-ND1 3.4Å; S663-H766 PolarHBondContact O-CE1 2.8Å; S663-H766 PolarHBondContact OG-ND1 2.95Å; H766-S768 VanDerWaalsContact C-N 3.34Å; H766-S768 PolarHBondContact O-N 3.4Å; H766-T770 VanDerWaalsContact O-CB 3.25Å; H766-T770 WeakPolarHBondContact O-CB 3.43Å; H766-T770 PolarHBondContact O-N 3.22Å; H766-T770 VanDerWaalsContact O-N 3.13Å; H766-T770 PolarHBondContact O-OG1 3.39Å; H766-Y957 HydrophobicContact CB-CD2 3.9Å; H766-Y957 HydrophobicContact CB-CG 4.32Å; H766-Y957 AromaticContact CD2-CE2 3.94Å; H766-Y957 AromaticContact CG-CD2 3.81Å
767	A	46.5	Very low	48	Very low	17 Å²	17	39.6 Å²	39.6	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-38.9	179	0	0	0	0	0	111.9	W763 F764 V765 A771	W763-A767 WeakPolarHBondContact O-CB 3.49Å; W763-A767 PolarHBondContact O-N 3.37Å; W763-A767 VanDerWaalsContact O-N 3.1Å; F764-A767 PolarHBondContact O-N 3.31Å; V765-A767 PolarHBondContact O-N 3.49Å; A767-A771 WeakPolarHBondContact O-CB 3.42Å; A767-A771 PolarHBondContact O-N 3.02Å
768	S	48.5	Very low	49.9	Very low	26 Å²	26	31.6 Å²	31.6	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-48.1	-178.4	75.9	0	0	0	0	113	F764 V765 H766 A771 R772	F764-S768 WeakPolarHBondContact O-CB 3.42Å; F764-S768 PolarHBondContact O-N 3.48Å; V765-S768 PolarHBondContact O-N 3.4Å; V765-S768 PolarHBondContact O-OG 2.97Å; H766-S768 VanDerWaalsContact C-N 3.34Å; H766-S768 PolarHBondContact O-N 3.4Å; S768-A771 PolarHBondContact O-N 3.05Å; S768-R772 WeakPolarHBondContact O-CG 3.32Å; S768-R772 PolarHBondContact O-N 3.43Å
769	I	53.6	Low	51.4	Low	17 Å²	17	30.7 Å²	30.7	9%	0.087	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-47.5	178.8	-64.3	164.2	0	0	0	109.4	V765 A771 R772 L773 P1154	V765-I769 HydrophobicContact CG1-CD1 4.15Å; V765-I769 PolarHBondContact O-N 3.43Å; V765-I769 VanDerWaalsContact O-N 3.14Å; I769-A771 VanDerWaalsContact C-N 3.28Å; I769-A771 PolarHBondContact O-N 3.21Å; I769-R772 PolarHBondContact O-N 3.38Å; I769-L773 HydrophobicContact CG2-CD1 3.99Å; I769-L773 HydrophobicContact CG2-CG 4.3Å; I769-L773 WeakPolarHBondContact O-CG 3.38Å; I769-L773 PolarHBondContact O-N 2.75Å; I769-P1154 HydrophobicContact CD1-CB 4.16Å; I769-P1154 HydrophobicContact CD1-CG 3.41Å; I769-P1154 VanDerWaalsContact CD1-CG 3.41Å; I769-P1154 HydrophobicContact CG1-CG 4.3Å
770	T	55	Low	52.5	Low	2 Å²	2	27.2 Å²	27.2	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-40.6	179.5	-53.9	0	0	0	0	111.1	L656 H766 L773 L774	L656-T770 HydrophobicContact CD2-CG2 3.43Å; L656-T770 VanDerWaalsContact CD2-CG2 3.43Å; H766-T770 VanDerWaalsContact O-CB 3.25Å; H766-T770 WeakPolarHBondContact O-CB 3.43Å; H766-T770 PolarHBondContact O-N 3.22Å; H766-T770 VanDerWaalsContact O-N 3.13Å; H766-T770 PolarHBondContact O-OG1 3.39Å; T770-L773 PolarHBondContact O-N 3.24Å; T770-L774 HydrophobicContact CG2-CD1 4.02Å; T770-L774 HydrophobicContact CG2-CG 4.41Å; T770-L774 WeakPolarHBondContact O-CB 3.49Å; T770-L774 VanDerWaalsContact O-CG 3.24Å; T770-L774 WeakPolarHBondContact O-CG 3.24Å; T770-L774 PolarHBondContact O-N 3.5Å
771	A	53.6	Low	53.5	Low	14 Å²	14	24.9 Å²	24.9	12%	0.116	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-47.6	173.9	0	0	0	0	0	112.8	A767 S768 I769 L773 L774 Q775 F785	A767-A771 WeakPolarHBondContact O-CB 3.42Å; A767-A771 PolarHBondContact O-N 3.02Å; S768-A771 PolarHBondContact O-N 3.05Å; I769-A771 VanDerWaalsContact C-N 3.28Å; I769-A771 PolarHBondContact O-N 3.21Å; A771-L773 VanDerWaalsContact C-N 3.31Å; A771-L773 PolarHBondContact O-N 2.94Å; A771-L774 PolarHBondContact O-N 3.14Å; A771-Q775 WeakPolarHBondContact O-CG 3.3Å; A771-Q775 PolarHBondContact O-N 3.2Å; A771-F785 HydrophobicContact CB-CD2 4.39Å; A771-F785 HydrophobicContact CB-CE1 3.85Å; A771-F785 HydrophobicContact CB-CE2 3.47Å; A771-F785 VanDerWaalsContact CB-CE2 3.47Å; A771-F785 HydrophobicContact CB-CZ 3.23Å
772	R	59.3	Low	53.7	Low	27 Å²	27	26.8 Å²	26.8	10%	0.102	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-41.8	177.1	-69.3	178.5	-165.7	175.1	11.4	111.2	L525 H529 S768 I769 Q775 L776 F1121	L525-R772 PolarHBondContact O-NH1 2.83Å; H529-R772 PolarHBondContact CE1-NH2 3.25Å; H529-R772 VanDerWaalsContact CE1-NH2 3.32Å; S768-R772 WeakPolarHBondContact O-CG 3.32Å; S768-R772 PolarHBondContact O-N 3.43Å; I769-R772 PolarHBondContact O-N 3.38Å; R772-Q775 PolarHBondContact O-N 3.37Å; R772-L776 PolarHBondContact O-N 3.04Å; R772-F1121 PolarHBondContact NH2-O 3.49Å
773	L	63.9	Low	53.5	Low	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.1	-42.6	177.5	-66.6	176.9	0	0	0	112.4	A655 I658 I769 T770 A771 Q775 L776 T777 V1164	A655-L773 HydrophobicContact CB-CB 4.08Å; I658-L773 HydrophobicContact CB-CD1 4.39Å; I658-L773 HydrophobicContact CG2-CD1 4Å; I769-L773 HydrophobicContact CG2-CD1 3.99Å; I769-L773 HydrophobicContact CG2-CG 4.3Å; I769-L773 WeakPolarHBondContact O-CG 3.38Å; I769-L773 PolarHBondContact O-N 2.75Å; T770-L773 PolarHBondContact O-N 3.24Å; A771-L773 VanDerWaalsContact C-N 3.31Å; A771-L773 PolarHBondContact O-N 2.94Å; L773-Q775 VanDerWaalsContact C-N 3.28Å; L773-Q775 PolarHBondContact O-N 2.86Å; L773-L776 PolarHBondContact O-N 2.95Å; L773-T777 PolarHBondContact O-N 2.65Å; L773-V1164 HydrophobicContact CD2-CB 4.3Å; L773-V1164 HydrophobicContact CD2-CG1 3.68Å; L773-V1164 HydrophobicContact CD2-CG2 3.57Å
774	L	61.1	Low	53.2	Low	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-26	177.5	-73.1	172.1	0	0	0	113.3	H652 A655 L656 T770 A771 T777 D778 L783 P959	H652-L774 HydrophobicContact CB-CD2 3.82Å; H652-L774 VanDerWaalsContact CD2-CD2 3.48Å; H652-L774 WeakPolarHBondContact CD2-CD2 3.11Å; A655-L774 HydrophobicContact CB-CD2 4.03Å; L656-L774 HydrophobicContact CD2-CD1 3.94Å; L656-L774 HydrophobicContact CD2-CD2 4.34Å; L656-L774 HydrophobicContact CD2-CG 4.45Å; L656-L774 HydrophobicContact CG-CD2 4.2Å; T770-L774 HydrophobicContact CG2-CD1 4.02Å; T770-L774 HydrophobicContact CG2-CG 4.41Å; T770-L774 WeakPolarHBondContact O-CB 3.49Å; T770-L774 VanDerWaalsContact O-CG 3.24Å; T770-L774 WeakPolarHBondContact O-CG 3.24Å; T770-L774 PolarHBondContact O-N 3.5Å; A771-L774 PolarHBondContact O-N 3.14Å; L774-T777 WeakPolarHBondContact CA-OG1 3.45Å; L774-T777 PolarHBondContact O-N 2.92Å; L774-T777 PolarHBondContact O-OG1 3.44Å; L774-D778 PolarHBondContact O-N 3.12Å; L774-L783 HydrophobicContact CB-CD1 3.94Å; L774-L783 HydrophobicContact CB-CD2 3.83Å; L774-L783 HydrophobicContact CD1-CD2 3.73Å; L774-L783 HydrophobicContact CG-CD2 4.36Å; L774-P959 HydrophobicContact CD1-CG 4.39Å
775	Q	62	Low	53	Low	30 Å²	30	24 Å²	24	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-78.4	-26.3	175.2	-72.1	165.8	-12.6	0	0	112.5	A771 R772 L773 T777 D778 P779 L783	A771-Q775 WeakPolarHBondContact O-CG 3.3Å; A771-Q775 PolarHBondContact O-N 3.2Å; R772-Q775 PolarHBondContact O-N 3.37Å; L773-Q775 VanDerWaalsContact C-N 3.28Å; L773-Q775 PolarHBondContact O-N 2.86Å; Q775-T777 PolarHBondContact O-N 3.4Å; Q775-D778 CarbonylContact O-C 3.58Å; Q775-P779 WeakPolarHBondContact O-CA 3.49Å; Q775-L783 HydrophobicContact CG-CD1 3.35Å
776	L	67.6	Low	52.5	Low	12 Å²	12	28.6 Å²	28.6	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-71.8	-20.4	171.6	-68.9	172.1	0	0	0	112.3	F528 R772 L773 P1161 V1164	F528-L776 HydrophobicContact CZ-CD2 4.49Å; R772-L776 PolarHBondContact O-N 3.04Å; L773-L776 PolarHBondContact O-N 2.95Å; L776-P1161 HydrophobicContact CD1-CB 4.28Å; L776-P1161 HydrophobicContact CD2-CB 4.22Å; L776-V1164 HydrophobicContact CB-CG1 4.36Å; L776-V1164 HydrophobicContact CD1-CB 3.85Å; L776-V1164 HydrophobicContact CD1-CG1 3.78Å; L776-V1164 HydrophobicContact CD1-CG2 4.08Å
777	T	68.5	Low	51.4	Low	1 Å²	1	33 Å²	33	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-84.4	-42.2	174.8	46.3	0	0	0	0	112.6	C475 R651 H652 A655 L773 L774 Q775 L1168	C475-T777 PolarHBondContact SG-O 3.25Å; R651-T777 HydrophobicContact CB-CG2 3.78Å; R651-T777 WeakPolarHBondContact O-CG2 3.26Å; H652-T777 PolarHBondContact CD2-OG1 3.25Å; H652-T777 PolarHBondContact NE2-OG1 3.23Å; H652-T777 VanDerWaalsContact NE2-OG1 3.08Å; A655-T777 HydrophobicContact CB-CG2 3.68Å; L773-T777 PolarHBondContact O-N 2.65Å; L774-T777 WeakPolarHBondContact CA-OG1 3.45Å; L774-T777 PolarHBondContact O-N 2.92Å; L774-T777 PolarHBondContact O-OG1 3.44Å; Q775-T777 PolarHBondContact O-N 3.4Å; T777-L1168 HydrophobicContact CG2-CD1 3.57Å; T777-L1168 HydrophobicContact CG2-CD2 3.68Å; T777-L1168 HydrophobicContact CG2-CG 4.3Å
778	D	64.9	Low	50.4	Low	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.192	C	C	.	.			trans	-151.1	105.8	172.3	-169.8	-7.5	0	0	0	110.4	Y440 L774 Q775 Y780 E781	Y440-D778 VanDerWaalsContact CE1-OD2 3.28Å; Y440-D778 WeakPolarHBondContact CE1-OD2 3.49Å; Y440-D778 PolarHBondContact OH-OD1 3.48Å; Y440-D778 PolarHBondContact OH-OD2 3.27Å; L774-D778 PolarHBondContact O-N 3.12Å; Q775-D778 CarbonylContact O-C 3.58Å; D778-Y780 VanDerWaalsContact C-N 3.25Å; D778-Y780 PolarHBondContact O-N 3.24Å; D778-Y780 WeakPolarHBondContact OD1-CB 3.43Å; D778-Y780 PolarHBondContact OD1-N 3.2Å; D778-E781 HydrophobicContact CB-CB 4.26Å
779	P	60.5	Low	49.3	Very low	23 Å²	23	44.9 Å²	44.9	15%	0.149	21%	0.214	C	C	.	.	S	Bend	trans	-75.7	-16.1	-179	30.9	-34.9	0	0	0	112.9	L474 W513 W542 Q775	L474-P779 HydrophobicContact CD2-CG 3.84Å; W513-P779 HydrophobicContact CD2-CB 4.39Å; W513-P779 HydrophobicContact CZ2-CB 3.88Å; W542-P779 HydrophobicContact CH2-CB 3.91Å; W542-P779 HydrophobicContact CH2-CG 3.96Å; W542-P779 HydrophobicContact CZ3-CB 4.26Å; Q775-P779 WeakPolarHBondContact O-CA 3.49Å
780	Y	57.1	Low	47.9	Very low	31 Å²	31	52.4 Å²	52.4	12%	0.122	25%	0.248	C	C	.	.	S	Bend	trans	-85.8	-30.3	-177.6	177.9	-99.1	0	0	0	112.3	F80 Y467 H506 W542 D778 Q782	F80-Y780 AromaticContact CD2-CE1 3.87Å; F80-Y780 HydrophobicContact CD2-CE1 3.87Å; F80-Y780 HydrophobicContact CD2-CE2 4.33Å; F80-Y780 AromaticContact CD2-CZ 3.49Å; F80-Y780 VanDerWaalsContact CD2-CZ 3.49Å; F80-Y780 WeakPolarHBondContact CD2-OH 3.04Å; F80-Y780 AromaticContact CE2-CE1 3.93Å; F80-Y780 HydrophobicContact CE2-CE1 3.93Å; F80-Y780 AromaticContact CE2-CE2 3.75Å; F80-Y780 HydrophobicContact CE2-CE2 3.75Å; F80-Y780 AromaticContact CE2-CZ 3.35Å; F80-Y780 VanDerWaalsContact CE2-OH 3.27Å; F80-Y780 WeakPolarHBondContact CE2-OH 3.33Å; Y467-Y780 WeakPolarHBondContact OH-CD2 3.42Å; H506-Y780 AromaticContact CD2-CE2 3.51Å; H506-Y780 AromaticContact NE2-CE2 3.67Å; W542-Y780 AromaticContact NE1-CD2 3.71Å; D778-Y780 VanDerWaalsContact C-N 3.25Å; D778-Y780 PolarHBondContact O-N 3.24Å; D778-Y780 WeakPolarHBondContact OD1-CB 3.43Å; D778-Y780 PolarHBondContact OD1-N 3.2Å; Y780-Q782 PolarHBondContact O-N 3.25Å
781	E	52.9	Low	46.5	Very low	20 Å²	20	57.4 Å²	57.4	9%	0.093	28%	0.284	C	S	.	.	S	Bend	trans	-66	111.5	-179.9	-159.2	161.1	-136.2	0	0	108.4	R441 S645 H652 D778 L783	R441-E781 IonicContact CZ-OE1 3.09Å; R441-E781 IonicContact NE-OE1 3.97Å; R441-E781 IonicContact NH2-OE1 2.97Å; R441-E781 PolarHBondContact NH2-OE1 2.88Å; S645-E781 WeakPolarHBondContact CB-OE1 3.36Å; S645-E781 PolarHBondContact OG-OE1 2.76Å; H652-E781 IonicContact CE1-OE2 3.14Å; H652-E781 PolarHBondContact CE1-OE2 3.21Å; H652-E781 IonicContact ND1-OE2 3.87Å; H652-E781 PolarHBondContact ND1-OE2 3.44Å; H652-E781 IonicContact NE2-OE2 3.38Å; D778-E781 HydrophobicContact CB-CB 4.26Å; E781-L783 PolarHBondContact O-N 3.14Å
782	Q	42.3	Very low	45.2	Very low	98 Å²	98	62.4 Å²	62.4	46%	0.458	31%	0.308	S	S	.	.			trans	-60.8	95.2	172.9	-175.3	175.6	36	0	0	106.4	Y780 V784	Y780-Q782 PolarHBondContact O-N 3.25Å; Q782-V784 PolarHBondContact O-N 3.23Å
783	L	38.2	Very low	43.6	Very low	27 Å²	27	70.8 Å²	70.8	14%	0.141	35%	0.346	C	S	.	.			trans	-61.4	110.9	168.5	-68.6	146	0	0	0	104.3	L774 Q775 E781 F785	L774-L783 HydrophobicContact CB-CD1 3.94Å; L774-L783 HydrophobicContact CB-CD2 3.83Å; L774-L783 HydrophobicContact CD1-CD2 3.73Å; L774-L783 HydrophobicContact CG-CD2 4.36Å; Q775-L783 HydrophobicContact CG-CD1 3.35Å; E781-L783 PolarHBondContact O-N 3.14Å; L783-F785 HydrophobicContact CB-CD2 3.11Å; L783-F785 HydrophobicContact CB-CE2 3.05Å; L783-F785 HydrophobicContact CB-CG 4.13Å; L783-F785 HydrophobicContact CB-CZ 4.04Å; L783-F785 HydrophobicContact CD1-CD2 4.33Å; L783-F785 HydrophobicContact CD1-CE2 3.56Å; L783-F785 HydrophobicContact CD1-CZ 4.42Å; L783-F785 HydrophobicContact CD2-CE2 3.89Å; L783-F785 HydrophobicContact CD2-CZ 4.2Å; L783-F785 HydrophobicContact CG-CD2 4.19Å; L783-F785 HydrophobicContact CG-CE2 3.64Å; L783-F785 HydrophobicContact CG-CZ 4.44Å; L783-F785 PolarHBondContact O-N 3.5Å
784	V	34	Very low	41.9	Very low	66 Å²	66	79.6 Å²	79.6	40%	0.4	38%	0.38	S	S	.	.			trans	-70.9	71.1	-179.6	-175	0	0	0	0	106.6	Q782 I961	Q782-V784 PolarHBondContact O-N 3.23Å; V784-I961 HydrophobicContact CG1-CD1 3.9Å; V784-I961 HydrophobicContact CG1-CG1 4.43Å
785	F	35.4	Very low	40.1	Very low	30 Å²	30	84 Å²	84	13%	0.132	41%	0.411	C	S	.	.	S	Bend	trans	-83.5	-46.6	179.5	-83.7	-67.3	0	0	0	108.2	A771 L783 P959	A771-F785 HydrophobicContact CB-CD2 4.39Å; A771-F785 HydrophobicContact CB-CE1 3.85Å; A771-F785 HydrophobicContact CB-CE2 3.47Å; A771-F785 VanDerWaalsContact CB-CE2 3.47Å; A771-F785 HydrophobicContact CB-CZ 3.23Å; L783-F785 HydrophobicContact CB-CD2 3.11Å; L783-F785 HydrophobicContact CB-CE2 3.05Å; L783-F785 HydrophobicContact CB-CG 4.13Å; L783-F785 HydrophobicContact CB-CZ 4.04Å; L783-F785 HydrophobicContact CD1-CD2 4.33Å; L783-F785 HydrophobicContact CD1-CE2 3.56Å; L783-F785 HydrophobicContact CD1-CZ 4.42Å; L783-F785 HydrophobicContact CD2-CE2 3.89Å; L783-F785 HydrophobicContact CD2-CZ 4.2Å; L783-F785 HydrophobicContact CG-CD2 4.19Å; L783-F785 HydrophobicContact CG-CE2 3.64Å; L783-F785 HydrophobicContact CG-CZ 4.44Å; L783-F785 PolarHBondContact O-N 3.5Å; F785-P959 HydrophobicContact CD1-CB 3.47Å; F785-P959 VanDerWaalsContact CD1-CB 3.47Å; F785-P959 HydrophobicContact CD1-CG 4.15Å; F785-P959 HydrophobicContact CE1-CB 3.01Å; F785-P959 HydrophobicContact CE1-CG 3.22Å; F785-P959 HydrophobicContact CZ-CB 3.9Å; F785-P959 HydrophobicContact CZ-CG 3.6Å
786	W	31	Very low	38.6	Very low	136 Å²	136	88.1 Å²	88.1	52%	0.515	44%	0.438	S	S	.	.			trans	-156.7	109.8	-170	-49.6	99.5	0	0	0	109.3	W763 H984	W763-W786 AromaticContact CH2-CH2 3.77Å; W763-W786 HydrophobicContact CH2-CH2 3.77Å; W763-W786 HydrophobicContact CH2-CZ2 4.5Å; W763-W786 AromaticContact CZ3-CH2 3.76Å; W763-W786 HydrophobicContact CZ3-CH2 3.76Å; W763-W786 HydrophobicContact CZ3-CZ2 4.14Å; W786-H984 AromaticContact CZ3-CE1 3.81Å
787	K	24.1	Very low	36.6	Very low	112 Å²	112	95.9 Å²	95.9	49%	0.487	47%	0.473	S	S	.	.			trans	-116.5	91.1	162.4	-125.8	179.1	-174.6	171.8	0	106.3	Y789	K787-Y789 PolarHBondContact O-N 2.75Å; K787-Y789 VanDerWaalsContact O-N 3.14Å
788	T	24.7	Very low	34.6	Very low	133 Å²	133	102.9 Å²	102.9	82%	0.816	51%	0.506	S	S	*	.			trans	-63.7	108.5	160.6	42.6	0	0	0	0	105.6	E790	T788-E790 PolarHBondContact O-N 3.02Å; T788-E790 VanDerWaalsContact O-N 3.07Å
789	Y	26.1	Very low	32.7	Very low	161 Å²	161	111.9 Å²	111.9	63%	0.631	55%	0.548	S	S	*	.			trans	-70	107.8	171.2	-91.8	-95.3	0	0	0	106.3	K787 S791	K787-Y789 PolarHBondContact O-N 2.75Å; K787-Y789 VanDerWaalsContact O-N 3.14Å; Y789-S791 PolarHBondContact O-N 2.93Å; Y789-S791 VanDerWaalsContact O-N 3.13Å
790	E	23.9	Very low	31.1	Very low	174 Å²	174	118.7 Å²	118.7	81%	0.813	58%	0.578	S	S	*	*			trans	-50.9	122.3	156.1	-76.5	-171.5	154.4	0	0	106.6	T788 N792	T788-E790 PolarHBondContact O-N 3.02Å; T788-E790 VanDerWaalsContact O-N 3.07Å; E790-N792 PolarHBondContact O-N 3.35Å
791	S	25.8	Very low	29.7	Very low	108 Å²	108	122 Å²	122	76%	0.755	61%	0.605	S	S	*	*			trans	-53.5	109.6	174.9	48.4	0	0	0	0	106.6	Y789 K793	Y789-S791 PolarHBondContact O-N 2.93Å; Y789-S791 VanDerWaalsContact O-N 3.13Å; S791-K793 PolarHBondContact O-N 2.61Å
792	N	26.6	Very low	28.3	Very low	118 Å²	118	129 Å²	129	63%	0.631	64%	0.642	S	S	*	*			trans	-48.2	113.5	168.2	-83.9	-24.1	0	0	0	105.4	E790 Y794	E790-N792 PolarHBondContact O-N 3.35Å; N792-Y794 HydrophobicContact CB-CD2 3.62Å; N792-Y794 HydrophobicContact CB-CE2 3.76Å; N792-Y794 PolarHBondContact O-N 3.25Å
793	K	25.6	Very low	27.5	Very low	204 Å²	204	132.4 Å²	132.4	89%	0.887	66%	0.658	S	S	*	*			trans	-60.2	70	165.7	-72.5	177.3	178.5	172.6	0	106.7	S791 S795	S791-K793 PolarHBondContact O-N 2.61Å; K793-S795 PolarHBondContact O-N 3.41Å
794	Y	26.9	Very low	26.8	Very low	186 Å²	186	135.8 Å²	135.8	73%	0.729	68%	0.684	S	S	*	*			trans	-66.1	94.4	155.8	-85.9	-80.2	0	0	0	103.4	N792 V796	N792-Y794 HydrophobicContact CB-CD2 3.62Å; N792-Y794 HydrophobicContact CB-CE2 3.76Å; N792-Y794 PolarHBondContact O-N 3.25Å; Y794-V796 PolarHBondContact O-N 3.1Å
795	S	24.8	Very low	26.4	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	70%	0.701	S	S	*	*			trans	-44.5	87.8	153.2	51.2	0	0	0	0	107.8	K793 H797	K793-S795 PolarHBondContact O-N 3.41Å; S795-H797 PolarHBondContact O-N 2.95Å
796	V	28.7	Very low	25.8	Very low	116 Å²	116	146 Å²	146	70%	0.703	73%	0.732	S	S	*	*			trans	-71.9	81.8	160.5	-179.7	0	0	0	0	104.4	Y794 E798	Y794-V796 PolarHBondContact O-N 3.1Å; V796-E798 HydrophobicContact CG1-CB 4.1Å; V796-E798 HydrophobicContact CG1-CG 4.37Å; V796-E798 PolarHBondContact O-N 2.87Å
797	H	26.4	Very low	25.6	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.806	74%	0.743	S	S	*	*			trans	-66.3	81.7	154.6	-88.2	-63	0	0	0	106.7	S795	S795-H797 PolarHBondContact O-N 2.95Å
798	E	26.7	Very low	25.6	Very low	149 Å²	149	148.8 Å²	148.8	70%	0.696	76%	0.757	S	S	*	*			trans	-128.5	108.6	156.3	-76.8	-169.4	161.5	0	0	108.3	V796 H800	V796-E798 HydrophobicContact CG1-CB 4.1Å; V796-E798 HydrophobicContact CG1-CG 4.37Å; V796-E798 PolarHBondContact O-N 2.87Å; E798-H800 PolarHBondContact O-N 2.79Å; E798-H800 VanDerWaalsContact O-N 3.1Å
799	Q	25.2	Very low	25.6	Very low	190 Å²	190	149 Å²	149	89%	0.888	75%	0.753	S	S	*	*			trans	-57.3	103.7	174.5	-64.5	165.8	-44.1	0	0	109.1
800	H	27.4	Very low	25.7	Very low	166 Å²	166	149.2 Å²	149.2	77%	0.769	77%	0.765	S	S	*	*			trans	-111.9	94.4	152.8	-78.3	-62.5	0	0	0	107.9	E798 L802	E798-H800 PolarHBondContact O-N 2.79Å; E798-H800 VanDerWaalsContact O-N 3.1Å; H800-L802 PolarHBondContact O-N 2.68Å
801	S	26	Very low	25.7	Very low	99 Å²	99	149.7 Å²	149.7	69%	0.692	77%	0.767	S	S	*	*			trans	-33	113.9	164.3	46.6	0	0	0	0	111.8	H803	S801-H803 VanDerWaalsContact C-N 3.28Å; S801-H803 PolarHBondContact O-N 3.25Å
802	L	24	Very low	25.9	Very low	167 Å²	167	151.9 Å²	151.9	87%	0.874	77%	0.771	S	S	*	*			trans	-56.3	96.7	152.5	-99.7	82.2	0	0	0	107.8	H800	H800-L802 PolarHBondContact O-N 2.68Å
803	H	26.4	Very low	25.8	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.787	77%	0.768	S	S	*	*			trans	-111.1	96.2	151.6	-91.2	-7.3	0	0	0	107.6	S801 H805	S801-H803 VanDerWaalsContact C-N 3.28Å; S801-H803 PolarHBondContact O-N 3.25Å; H803-H805 PolarHBondContact O-N 3.5Å
804	S	23.1	Very low	25.7	Very low	99 Å²	99	148.2 Å²	148.2	69%	0.692	77%	0.767	S	S	*	*			trans	-42	112	153.1	51.3	0	0	0	0	110.3
805	H	24.6	Very low	25.6	Very low	165 Å²	165	142.9 Å²	142.9	76%	0.764	77%	0.768	S	S	*	*			trans	-127.5	98.5	146.5	-107.8	-50.8	0	0	0	107.1	H803	H803-H805 PolarHBondContact O-N 3.5Å
806	N	23	Very low	25.8	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	78%	0.777	S	S	*	*			trans	-63.2	119	150.5	-64.7	-22.4	0	0	0	105.6
807	D	27.7	Very low	25.4	Very low	143 Å²	143	146.4 Å²	146.4	77%	0.765	78%	0.781	S	S	*	*			trans	-127.8	105.9	149.6	-76.3	-41.9	0	0	0	105
808	E	23.1	Very low	25.3	Very low	165 Å²	165	143.8 Å²	143.8	77%	0.771	78%	0.78	S	S	*	*			trans	-64.4	172	162	-63.5	179.6	141.7	0	0	109.5
809	D	25.4	Very low	25	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	78%	0.776	S	S	*	*			trans	87.9	104.2	159.4	-49.5	-30.4	0	0	0	117
810	D	28.9	Very low	24.8	Very low	167 Å²	167	142.8 Å²	142.8	89%	0.893	78%	0.777	S	S	*	*				-163.9	108.5	109.4	-88.9	-27.6	0	0	0	110.3
811	E	24.2	Very low	24.4	Very low	184 Å²	184	139.4 Å²	139.4	86%	0.86	77%	0.772	S	S	*	*			trans	-67.5	137.9	158.9	-65.9	-174.1	144.8	0	0	110.2
812	D	28.5	Very low	24.2	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	78%	0.78	S	S	*	*			trans	-162.6	99.6	149.6	-105.3	-27.2	0	0	0	108.4
813	S	24	Very low	24	Very low	82 Å²	82	145.8 Å²	145.8	57%	0.573	78%	0.778	S	S	*	*				83.4	115.9	73.1	85.3	0	0	0	0	114.6
814	N	23.9	Very low	23.7	Very low	163 Å²	163	143.3 Å²	143.3	87%	0.872	78%	0.78	S	S	*	*			trans	78.7	110.8	145.8	-58.2	-38.2	0	0	0	122.3
815	G	24.6	Very low	23.6	Very low	73 Å²	73	143.9 Å²	143.9	75%	0.753	78%	0.784	S	S	*	*			trans	176	111.5	151.2	0	0	0	0	0	113
816	P	30.2	Very low	23.5	Very low	128 Å²	128	141 Å²	141	83%	0.831	78%	0.782	S	S	*	*			trans	-89.2	155	-157.4	35.3	-36.2	0	0	0	115.8
817	I	20.7	Very low	23.4	Very low	156 Å²	156	138.9 Å²	138.9	80%	0.8	78%	0.779	S	S	*	*			trans	-51.3	133.4	170.9	-60.7	154.4	0	0	0	112.2
818	P	23.4	Very low	23.1	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	78%	0.782	S	S	*	*			trans	-116.1	105.8	146.3	24.2	-6.6	0	0	0	109.3	Y820	P818-Y820 PolarHBondContact O-N 2.92Å
819	S	19.8	Very low	23.1	Very low	89 Å²	89	145.2 Å²	145.2	62%	0.622	79%	0.788	S	S	*	*			trans	-57.1	121.6	161.3	49.7	0	0	0	0	110.2
820	Y	22.3	Very low	23	Very low	229 Å²	229	141.7 Å²	141.7	90%	0.898	78%	0.784	S	S	*	*			trans	-153.3	107.2	139.9	-87.1	-67	0	0	0	110	P818	P818-Y820 PolarHBondContact O-N 2.92Å
821	S	19.2	Very low	22.7	Very low	95 Å²	95	141 Å²	141	66%	0.664	78%	0.78	S	S	*	*			trans	-61.9	137.3	159.5	51.1	0	0	0	0	110.8
822	Y	20.7	Very low	22.9	Very low	221 Å²	221	142.1 Å²	142.1	87%	0.867	78%	0.782	S	S	*	*				-167.5	132.6	119.4	-110.4	-77.8	0	0	0	111.4
823	H	20.3	Very low	22.7	Very low	180 Å²	180	143.4 Å²	143.4	83%	0.833	78%	0.783	S	S	*	*			trans	-55.3	136.1	171.8	-72	-88.7	0	0	0	113
824	S	20.9	Very low	22.7	Very low	117 Å²	117	148.3 Å²	148.3	82%	0.818	79%	0.794	S	S	*	*				-169	143	129.3	49.3	0	0	0	0	111.4
825	S	20.4	Very low	22.8	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	80%	0.795	S	S	*	*			trans	-54.1	127.9	177.5	45.2	0	0	0	0	114.8
826	S	21.6	Very low	22.7	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	80%	0.799	S	S	*	*				139.7	145.4	125.4	67.6	0	0	0	0	112.2
827	S	20.8	Very low	22.5	Very low	99 Å²	99	155.3 Å²	155.3	69%	0.692	80%	0.797	S	S	*	*			trans	74.8	102	159.8	67.8	0	0	0	0	119.3
828	Y	22.3	Very low	22.8	Very low	214 Å²	214	150.6 Å²	150.6	84%	0.839	79%	0.786	S	S	*	*			trans	79.6	146.1	130.4	-84.6	-89.6	0	0	0	120.8
829	Y	22.5	Very low	22.8	Very low	226 Å²	226	152.1 Å²	152.1	89%	0.886	78%	0.783	S	S	*	*			trans	87.1	119	175.6	-63.3	-87	0	0	0	114.5
830	G	23.8	Very low	23	Very low	62 Å²	62	155.5 Å²	155.5	64%	0.639	79%	0.789	S	S	*	*			cis	100.3	79.8	31.1	0	0	0	0	0	109.2
831	N	23.1	Very low	23.2	Very low	154 Å²	154	152 Å²	152	82%	0.824	78%	0.779	S	S	*	*			trans	-138.6	104.9	163.1	-85.8	-25.5	0	0	0	105.7
832	K	27	Very low	23.6	Very low	206 Å²	206	152.6 Å²	152.6	90%	0.896	78%	0.775	S	S	*	*				48.7	60.8	83.2	-74.8	-167.3	178.7	178.7	0	113.1
833	E	24.8	Very low	23.8	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	76%	0.76	S	S	*	*			trans	-106.6	103.6	152.5	-76.3	-167.4	155.5	0	0	110.1
834	K	24.2	Very low	24	Very low	186 Å²	186	146.1 Å²	146.1	81%	0.809	75%	0.746	S	S	*	*			trans	32.7	115.9	142.1	-66.4	175.5	179.3	174.2	0	116.6	Y836	K834-Y836 PolarHBondContact O-N 3.34Å
835	N	25.2	Very low	24.3	Very low	165 Å²	165	148.1 Å²	148.1	88%	0.882	74%	0.743	S	S	*	*			trans	-32.3	77.9	157.2	-64	-23.3	0	0	0	113.5	V837	N835-V837 VanDerWaalsContact C-N 3.27Å; N835-V837 PolarHBondContact O-N 3.48Å; N835-V837 VanDerWaalsContact O-N 3.13Å
836	Y	23.6	Very low	24.8	Very low	217 Å²	217	148.3 Å²	148.3	85%	0.851	74%	0.735	S	S	*	*			trans	-71.2	102.2	146.3	-87.6	-83	0	0	0	104	K834 G838	K834-Y836 PolarHBondContact O-N 3.34Å; Y836-G838 PolarHBondContact O-N 3.26Å
837	V	26	Very low	25.4	Very low	129 Å²	129	144.2 Å²	144.2	78%	0.782	71%	0.709	S	S	*	*			trans	-44.9	95.2	156.4	174.8	0	0	0	0	104.6	N835 Q839	N835-V837 VanDerWaalsContact C-N 3.27Å; N835-V837 PolarHBondContact O-N 3.48Å; N835-V837 VanDerWaalsContact O-N 3.13Å; V837-Q839 VanDerWaalsContact C-N 3.26Å; V837-Q839 PolarHBondContact O-N 2.82Å
838	G	26	Very low	26	Very low	56 Å²	56	142.4 Å²	142.4	58%	0.577	69%	0.694	S	S	*	*			trans	-60.3	101.5	-179.7	0	0	0	0	0	104.3	Y836 Q840	Y836-G838 PolarHBondContact O-N 3.26Å; G838-Q840 PolarHBondContact O-N 3.08Å
839	Q	24.9	Very low	26.8	Very low	151 Å²	151	136 Å²	136	71%	0.706	68%	0.677	S	S	*	*			trans	-47.5	107.5	159.2	-74.9	-178.9	-15.4	0	0	103.8	V837 K841	V837-Q839 VanDerWaalsContact C-N 3.26Å; V837-Q839 PolarHBondContact O-N 2.82Å; Q839-K841 HydrophobicContact CB-CG 4.27Å; Q839-K841 PolarHBondContact O-N 3.04Å
840	Q	24.4	Very low	27.5	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.752	66%	0.66	S	S	*	*			trans	-65.1	71.6	172.4	-72.2	176.1	-27.1	0	0	106.2	G838	G838-Q840 PolarHBondContact O-N 3.08Å
841	K	24.8	Very low	28.7	Very low	156 Å²	156	131.5 Å²	131.5	68%	0.678	64%	0.643	S	S	*	*			trans	-69.4	129.4	168.7	-76.4	-177.1	176.6	178	0	105	Q839	Q839-K841 HydrophobicContact CB-CG 4.27Å; Q839-K841 PolarHBondContact O-N 3.04Å
842	N	27.7	Very low	30.2	Very low	107 Å²	107	125.7 Å²	125.7	57%	0.572	61%	0.611	S	S	*	*			trans	93	58.3	176.9	-41.4	-12.3	0	0	0	113.3	W844	N842-W844 PolarHBondContact O-N 3.35Å; N842-W844 PolarHBondContact O-NE1 3.33Å
843	H	24.8	Very low	31.8	Very low	122 Å²	122	116.9 Å²	116.9	57%	0.565	57%	0.573	S	S	*	*			trans	-75.7	101.1	148.8	-81.3	-64.9	0	0	0	107.9	E845	H843-E845 PolarHBondContact O-N 2.87Å; H843-E845 VanDerWaalsContact O-N 3.16Å
844	W	24.4	Very low	33.4	Very low	143 Å²	143	109.7 Å²	109.7	54%	0.542	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-69.3	3.7	-177.7	-63.9	79.5	0	0	0	114.6	N842 N846 Q1011	N842-W844 PolarHBondContact O-N 3.35Å; N842-W844 PolarHBondContact O-NE1 3.33Å; W844-N846 PolarHBondContact O-N 2.87Å; W844-Q1011 HydrophobicContact CH2-CG 4.41Å; W844-Q1011 VanDerWaalsContact CZ2-NE2 3.3Å
845	E	27.2	Very low	35.2	Very low	159 Å²	159	101 Å²	101	74%	0.743	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-73.3	-12.8	-169.1	-66.3	178.9	173.8	0	0	113.3	H843	H843-E845 PolarHBondContact O-N 2.87Å; H843-E845 VanDerWaalsContact O-N 3.16Å
846	N	32.3	Very low	36.9	Very low	116 Å²	116	93.3 Å²	93.3	62%	0.62	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-109.3	-3.7	-162.2	-63.3	-6.5	0	0	0	116.7	W844	W844-N846 PolarHBondContact O-N 2.87Å
847	G	33	Very low	38.6	Very low	19 Å²	19	86.5 Å²	86.5	20%	0.196	44%	0.435	C	S	.	.	S	Bend	trans	-117.9	-3.3	-170.4	0	0	0	0	0	116.8	S1008	G847-S1008 CarbonylContact O-C 3.5Å; G847-S1008 VanDerWaalsContact O-C 3.32Å; G847-S1008 WeakPolarHBondContact O-CA 3.45Å; G847-S1008 PolarHBondContact O-N 3.49Å; G847-S1008 VanDerWaalsContact O-N 3.12Å; G847-S1008 PolarHBondContact O-OG 2.9Å
848	V	34.7	Very low	40.4	Very low	60 Å²	60	85.9 Å²	85.9	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	107.4	-177	179.6	0	0	0	0	107.9	W850 L1005	V848-W850 HydrophobicContact CG1-CB 4.2Å; V848-W850 PolarHBondContact O-N 3.46Å; V848-L1005 HydrophobicContact CG1-CD1 3.32Å; V848-L1005 HydrophobicContact CG1-CG 4.36Å
849	V	37.6	Very low	41.9	Very low	81 Å²	81	84 Å²	84	49%	0.491	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	100.3	164.8	-178	0	0	0	0	105.8	Y1006	V849-Y1006 HydrophobicContact CB-CD2 3.98Å; V849-Y1006 HydrophobicContact CB-CG 4.43Å; V849-Y1006 HydrophobicContact CG1-CD2 4.03Å; V849-Y1006 PolarHBondContact N-O 3.39Å; V849-Y1006 WeakPolarHBondContact O-CD2 3.42Å; V849-Y1006 PolarHBondContact O-N 3.46Å
850	W	39	Very low	43.6	Very low	137 Å²	137	83.4 Å²	83.4	52%	0.519	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.3	170.5	-175.8	61.4	0	0	0	107.8	V848 E852 S1003 L1005	V848-W850 HydrophobicContact CG1-CB 4.2Å; V848-W850 PolarHBondContact O-N 3.46Å; W850-E852 HydrophobicContact CD2-CB 4.17Å; W850-E852 HydrophobicContact CE3-CB 4.23Å; W850-E852 HydrophobicContact CH2-CB 3.76Å; W850-E852 VanDerWaalsContact CH2-CD 3.45Å; W850-E852 HydrophobicContact CH2-CG 4.19Å; W850-E852 WeakPolarHBondContact CH2-OE2 3.22Å; W850-E852 HydrophobicContact CZ2-CB 3.61Å; W850-E852 HydrophobicContact CZ2-CG 3.91Å; W850-E852 WeakPolarHBondContact CZ2-OE2 3.27Å; W850-E852 HydrophobicContact CZ3-CB 4.03Å; W850-S1003 VanDerWaalsContact NE1-CB 3.28Å; W850-L1005 HydrophobicContact CB-CD1 3.94Å; W850-L1005 VanDerWaalsContact CD1-CD1 3.48Å; W850-L1005 HydrophobicContact CG-CD1 4Å
851	D	47.9	Very low	45.3	Very low	55 Å²	55	77.7 Å²	77.7	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	98.2	175.3	-166.3	11.5	0	0	0	108.6	K853 S1003 L1004	D851-K853 WeakPolarHBondContact OD1-CE 3.41Å; D851-K853 IonicContact OD1-NZ 2.84Å; D851-K853 WeakPolarHBondContact OD2-CE 3.46Å; D851-K853 IonicContact OD2-NZ 3.41Å; D851-K853 PolarHBondContact OD2-NZ 3.32Å; D851-S1003 WeakPolarHBondContact O-CA 3.41Å; D851-L1004 PolarHBondContact N-O 3.27Å; D851-L1004 PolarHBondContact O-N 3Å
852	E	55.4	Low	47	Very low	32 Å²	32	74.7 Å²	74.7	15%	0.15	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.7	177.7	-169.9	172.5	-137.6	0	0	111.5	W850 F854 S1001 S1003	W850-E852 HydrophobicContact CD2-CB 4.17Å; W850-E852 HydrophobicContact CE3-CB 4.23Å; W850-E852 HydrophobicContact CH2-CB 3.76Å; W850-E852 VanDerWaalsContact CH2-CD 3.45Å; W850-E852 HydrophobicContact CH2-CG 4.19Å; W850-E852 WeakPolarHBondContact CH2-OE2 3.22Å; W850-E852 HydrophobicContact CZ2-CB 3.61Å; W850-E852 HydrophobicContact CZ2-CG 3.91Å; W850-E852 WeakPolarHBondContact CZ2-OE2 3.27Å; W850-E852 HydrophobicContact CZ3-CB 4.03Å; E852-F854 HydrophobicContact CB-CE2 4.35Å; E852-F854 VanDerWaalsContact CD-CZ 3.47Å; E852-F854 HydrophobicContact CG-CD2 4.27Å; E852-F854 HydrophobicContact CG-CE2 3.8Å; E852-F854 HydrophobicContact CG-CZ 4.03Å; E852-F854 VanDerWaalsContact OE2-CE2 3.32Å; E852-F854 WeakPolarHBondContact OE2-CE2 3.2Å; E852-F854 WeakPolarHBondContact OE2-CZ 3.41Å; E852-S1001 PolarHBondContact OE1-OG 3.39Å; E852-S1003 PolarHBondContact OE1-OG 3.41Å
853	K	58.9	Low	48.4	Very low	22 Å²	22	75.9 Å²	75.9	10%	0.096	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	101.8	-178.5	-58.4	-82.3	157.2	168.8	0	108.4	Y634 D851 F855 Y865 S1001 L1002	Y634-K853 HydrophobicContact CE1-CD 3.91Å; Y634-K853 HydrophobicContact CE1-CG 4.42Å; Y634-K853 PolarHBondContact OH-NZ 3.39Å; D851-K853 WeakPolarHBondContact OD1-CE 3.41Å; D851-K853 IonicContact OD1-NZ 2.84Å; D851-K853 WeakPolarHBondContact OD2-CE 3.46Å; D851-K853 IonicContact OD2-NZ 3.41Å; D851-K853 PolarHBondContact OD2-NZ 3.32Å; K853-F855 PolarHBondContact O-N 2.82Å; K853-Y865 HydrophobicContact CB-CD1 4.16Å; K853-Y865 HydrophobicContact CB-CD2 4.23Å; K853-Y865 HydrophobicContact CB-CG 3.98Å; K853-Y865 HydrophobicContact CD-CD1 3.2Å; K853-Y865 HydrophobicContact CD-CD2 4.24Å; K853-Y865 HydrophobicContact CD-CE1 2.98Å; K853-Y865 HydrophobicContact CD-CE2 4.02Å; K853-Y865 HydrophobicContact CD-CG 3.85Å; K853-Y865 HydrophobicContact CG-CD1 4.23Å; K853-Y865 HydrophobicContact CG-CE1 4.33Å; K853-Y865 VanDerWaalsContact NZ-CE1 3.26Å; K853-Y865 PolarHBondContact NZ-OH 3.37Å; K853-S1001 WeakPolarHBondContact O-CA 3.36Å; K853-L1002 WeakPolarHBondContact CA-O 3.48Å; K853-L1002 WeakPolarHBondContact CB-O 3.5Å; K853-L1002 PolarHBondContact N-O 3.07Å; K853-L1002 PolarHBondContact O-N 2.95Å
854	F	59.2	Low	49.9	Very low	29 Å²	29	76.9 Å²	76.9	13%	0.127	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.1	176.8	-71.8	-89.6	0	0	0	110.5	E852 K857 Y862 Y865 N999	E852-F854 HydrophobicContact CB-CE2 4.35Å; E852-F854 VanDerWaalsContact CD-CZ 3.47Å; E852-F854 HydrophobicContact CG-CD2 4.27Å; E852-F854 HydrophobicContact CG-CE2 3.8Å; E852-F854 HydrophobicContact CG-CZ 4.03Å; E852-F854 VanDerWaalsContact OE2-CE2 3.32Å; E852-F854 WeakPolarHBondContact OE2-CE2 3.2Å; E852-F854 WeakPolarHBondContact OE2-CZ 3.41Å; F854-K857 HydrophobicContact CB-CB 3.91Å; F854-K857 HydrophobicContact CB-CD 4.34Å; F854-K857 HydrophobicContact CB-CG 4.45Å; F854-K857 HydrophobicContact CD1-CB 3.95Å; F854-K857 HydrophobicContact CD1-CD 4.05Å; F854-K857 HydrophobicContact CD1-CG 3.8Å; F854-K857 HydrophobicContact CD2-CD 3.94Å; F854-K857 HydrophobicContact CE1-CD 4.37Å; F854-K857 HydrophobicContact CE1-CG 4.18Å; F854-K857 HydrophobicContact CE2-CD 4.26Å; F854-K857 HydrophobicContact CG-CB 4.01Å; F854-K857 HydrophobicContact CG-CD 3.83Å; F854-K857 HydrophobicContact CG-CG 4.02Å; F854-K857 HydrophobicContact CZ-CD 4.46Å; F854-Y862 HydrophobicContact CB-CD2 4.48Å; F854-Y862 WeakPolarHBondContact O-CB 3.29Å; F854-Y865 WeakPolarHBondContact O-CD2 3.43Å; F854-N999 HydrophobicContact CD1-CB 4.46Å; F854-N999 HydrophobicContact CE1-CB 4.49Å
855	F	61.2	Low	51.5	Low	4 Å²	4	71.9 Å²	71.9	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-42.1	169	-53.6	-62.2	0	0	0	110.7	K853 I861 Y862 Y865 L869 F991 Y1000 L1002	K853-F855 PolarHBondContact O-N 2.82Å; F855-I861 VanDerWaalsContact O-CA 3.29Å; F855-I861 WeakPolarHBondContact O-CA 3.47Å; F855-I861 VanDerWaalsContact O-CG2 3.31Å; F855-I861 WeakPolarHBondContact O-CG2 3.46Å; F855-Y862 PolarHBondContact O-N 2.86Å; F855-Y865 WeakPolarHBondContact CD1-O 3.44Å; F855-Y865 WeakPolarHBondContact CE1-O 3.4Å; F855-L869 HydrophobicContact CB-CD1 3.66Å; F855-L869 HydrophobicContact CD1-CB 4.05Å; F855-L869 HydrophobicContact CD1-CD1 3.59Å; F855-L869 HydrophobicContact CD1-CG 4.38Å; F855-L869 HydrophobicContact CD2-CD1 3.52Å; F855-L869 HydrophobicContact CE1-CB 4.2Å; F855-L869 HydrophobicContact CE1-CD1 4.02Å; F855-L869 HydrophobicContact CE2-CD1 3.94Å; F855-L869 HydrophobicContact CG-CD1 3.31Å; F855-L869 HydrophobicContact CG-CG 4.44Å; F855-L869 HydrophobicContact CZ-CD1 4.16Å; F855-F991 HydrophobicContact CE2-CD1 4.46Å; F855-F991 HydrophobicContact CE2-CE1 4.2Å; F855-Y1000 PolarHBondContact N-O 3.1Å; F855-L1002 HydrophobicContact CE1-CB 4.45Å; F855-L1002 HydrophobicContact CE2-CB 3.43Å; F855-L1002 VanDerWaalsContact CE2-CB 3.43Å; F855-L1002 HydrophobicContact CZ-CB 3.36Å; F855-L1002 HydrophobicContact CZ-CD2 4.19Å; F855-L1002 HydrophobicContact CZ-CG 4.41Å
856	I	60.9	Low	52.9	Low	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.4	176.1	-57.7	176.6	0	0	0	107.1	Q860 I861 F933 N999 Y1000	I856-Q860 WeakPolarHBondContact CA-O 3.32Å; I856-I861 HydrophobicContact CG1-CG1 4.44Å; I856-F933 HydrophobicContact CD1-CD2 4.06Å; I856-F933 HydrophobicContact CD1-CE2 4.02Å; I856-N999 CarbonylContact O-C 3.32Å; I856-N999 WeakPolarHBondContact O-CA 3.42Å; I856-N999 WeakPolarHBondContact O-CB 3.35Å; I856-Y1000 HydrophobicContact CB-CD2 4.18Å; I856-Y1000 HydrophobicContact CD1-CD2 3.86Å; I856-Y1000 HydrophobicContact CG1-CD2 4.43Å; I856-Y1000 PolarHBondContact N-O 3.44Å; I856-Y1000 VanDerWaalsContact N-O 3.09Å; I856-Y1000 PolarHBondContact O-N 3.1Å
857	K	61	Low	54.1	Low	73 Å²	73	65.9 Å²	65.9	32%	0.317	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.7	173.9	-161	-176.7	179.5	170.2	0	109.8	F854 G859 Q860 Y862 N999	F854-K857 HydrophobicContact CB-CB 3.91Å; F854-K857 HydrophobicContact CB-CD 4.34Å; F854-K857 HydrophobicContact CB-CG 4.45Å; F854-K857 HydrophobicContact CD1-CB 3.95Å; F854-K857 HydrophobicContact CD1-CD 4.05Å; F854-K857 HydrophobicContact CD1-CG 3.8Å; F854-K857 HydrophobicContact CD2-CD 3.94Å; F854-K857 HydrophobicContact CE1-CD 4.37Å; F854-K857 HydrophobicContact CE1-CG 4.18Å; F854-K857 HydrophobicContact CE2-CD 4.26Å; F854-K857 HydrophobicContact CG-CB 4.01Å; F854-K857 HydrophobicContact CG-CD 3.83Å; F854-K857 HydrophobicContact CG-CG 4.02Å; F854-K857 HydrophobicContact CZ-CD 4.46Å; K857-G859 PolarHBondContact O-N 2.72Å; K857-Q860 PolarHBondContact N-O 3.17Å; K857-Q860 PolarHBondContact O-N 3.33Å; K857-Y862 HydrophobicContact CB-CD2 4.13Å; K857-Y862 HydrophobicContact CB-CE2 3.42Å; K857-Y862 VanDerWaalsContact CB-CE2 3.42Å; K857-Y862 HydrophobicContact CD-CE2 4.3Å; K857-Y862 HydrophobicContact CG-CE2 4.49Å; K857-N999 VanDerWaalsContact CA-OD1 3.31Å; K857-N999 WeakPolarHBondContact CA-OD1 3.43Å
858	N	62.3	Low	55.1	Low	117 Å²	117	67.4 Å²	67.4	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	40.3	-173.3	-57.6	-13.9	0	0	0	112.2	Q860 N999	N858-Q860 VanDerWaalsContact C-N 3.28Å; N858-Q860 PolarHBondContact O-N 3.48Å; N858-N999 PolarHBondContact N-OD1 2.84Å; N858-N999 PolarHBondContact OD1-ND2 2.66Å
859	G	58.7	Low	56.4	Low	17 Å²	17	64.6 Å²	64.6	18%	0.175	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	6.4	-175.6	0	0	0	0	0	115.9	K857 Q926	K857-G859 PolarHBondContact O-N 2.72Å; G859-Q926 PolarHBondContact O-NE2 2.91Å; G859-Q926 PolarHBondContact O-OE1 3.11Å
860	Q	59.4	Low	57.7	Low	137 Å²	137	62.9 Å²	62.9	64%	0.64	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.5	175.2	-65.6	-172.9	-15.9	0	0	111.2	I856 K857 N858	I856-Q860 WeakPolarHBondContact CA-O 3.32Å; K857-Q860 PolarHBondContact N-O 3.17Å; K857-Q860 PolarHBondContact O-N 3.33Å; N858-Q860 VanDerWaalsContact C-N 3.28Å; N858-Q860 PolarHBondContact O-N 3.48Å
861	I	61.3	Low	58.9	Low	41 Å²	41	58.8 Å²	58.8	21%	0.21	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.1	178.9	-44.5	178.7	0	0	0	109.8	F855 I856 I866 V925 Q926 L929	F855-I861 VanDerWaalsContact O-CA 3.29Å; F855-I861 WeakPolarHBondContact O-CA 3.47Å; F855-I861 VanDerWaalsContact O-CG2 3.31Å; F855-I861 WeakPolarHBondContact O-CG2 3.46Å; I856-I861 HydrophobicContact CG1-CG1 4.44Å; I861-I866 HydrophobicContact CB-CD1 4.34Å; I861-I866 HydrophobicContact CG2-CD1 3.28Å; I861-I866 HydrophobicContact CG2-CG1 3.58Å; I861-V925 HydrophobicContact CD1-CB 4.47Å; I861-V925 HydrophobicContact CD1-CG1 4.03Å; I861-Q926 HydrophobicContact CD1-CB 4.06Å; I861-Q926 HydrophobicContact CG1-CB 4.41Å; I861-L929 HydrophobicContact CD1-CD1 4.12Å
862	Y	59.7	Low	59.7	Low	93 Å²	93	56.2 Å²	56.2	37%	0.365	26%	0.261	S	S	.	.			trans	-91	110.5	-179.5	-76.7	-107.5	0	0	0	111.2	F854 F855 K857 E864 Y865 I866	F854-Y862 HydrophobicContact CB-CD2 4.48Å; F854-Y862 WeakPolarHBondContact O-CB 3.29Å; F855-Y862 PolarHBondContact O-N 2.86Å; K857-Y862 HydrophobicContact CB-CD2 4.13Å; K857-Y862 HydrophobicContact CB-CE2 3.42Å; K857-Y862 VanDerWaalsContact CB-CE2 3.42Å; K857-Y862 HydrophobicContact CD-CE2 4.3Å; K857-Y862 HydrophobicContact CG-CE2 4.49Å; Y862-E864 VanDerWaalsContact C-N 3.28Å; Y862-E864 PolarHBondContact O-N 2.81Å; Y862-Y865 PolarHBondContact O-N 2.8Å; Y862-Y865 VanDerWaalsContact O-N 3.11Å; Y862-I866 WeakPolarHBondContact O-CG1 3.31Å
863	H	56.9	Low	60.2	Low	133 Å²	133	54.9 Å²	54.9	62%	0.616	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-54.2	-39.5	-173.8	-170.3	61.2	0	0	0	113.9	Y865 I866 Y916	H863-Y865 PolarHBondContact O-N 3.35Å; H863-Y865 VanDerWaalsContact O-N 3.11Å; H863-I866 PolarHBondContact O-N 2.86Å; H863-Y916 AromaticContact CE1-CE1 3.75Å; H863-Y916 AromaticContact ND1-CE1 3.36Å; H863-Y916 WeakPolarHBondContact ND1-CE1 3.04Å; H863-Y916 AromaticContact ND1-CZ 3.33Å; H863-Y916 VanDerWaalsContact ND1-CZ 3.33Å; H863-Y916 PolarHBondContact ND1-OH 2.76Å
864	E	57.5	Low	60.5	Low	142 Å²	142	55.1 Å²	55.1	66%	0.664	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25.9	-177.2	-67.9	-177.3	172.9	0	0	113.2	Y862	Y862-E864 VanDerWaalsContact C-N 3.28Å; Y862-E864 PolarHBondContact O-N 2.81Å
865	Y	57.5	Low	60.8	Low	38 Å²	38	53.9 Å²	53.9	15%	0.149	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-108.2	-4.4	-171.3	-52	-42.7	0	0	0	114.5	K853 F854 F855 Y862 H863 K867 Y868	K853-Y865 HydrophobicContact CB-CD1 4.16Å; K853-Y865 HydrophobicContact CB-CD2 4.23Å; K853-Y865 HydrophobicContact CB-CG 3.98Å; K853-Y865 HydrophobicContact CD-CD1 3.2Å; K853-Y865 HydrophobicContact CD-CD2 4.24Å; K853-Y865 HydrophobicContact CD-CE1 2.98Å; K853-Y865 HydrophobicContact CD-CE2 4.02Å; K853-Y865 HydrophobicContact CD-CG 3.85Å; K853-Y865 HydrophobicContact CG-CD1 4.23Å; K853-Y865 HydrophobicContact CG-CE1 4.33Å; K853-Y865 VanDerWaalsContact NZ-CE1 3.26Å; K853-Y865 PolarHBondContact NZ-OH 3.37Å; F854-Y865 WeakPolarHBondContact O-CD2 3.43Å; F855-Y865 WeakPolarHBondContact CD1-O 3.44Å; F855-Y865 WeakPolarHBondContact CE1-O 3.4Å; Y862-Y865 PolarHBondContact O-N 2.8Å; Y862-Y865 VanDerWaalsContact O-N 3.11Å; H863-Y865 PolarHBondContact O-N 3.35Å; H863-Y865 VanDerWaalsContact O-N 3.11Å; Y865-K867 PolarHBondContact O-N 3.42Å; Y865-Y868 HydrophobicContact CD1-CE2 4.49Å; Y865-Y868 WeakPolarHBondContact O-CD2 3.25Å; Y865-Y868 PolarHBondContact O-N 2.95Å
866	I	56.1	Low	61	Low	6 Å²	6	54 Å²	54	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-33.5	-174.5	-75	165.7	0	0	0	113.1	I861 Y862 H863 Y868 L869 Y913 Y916	I861-I866 HydrophobicContact CB-CD1 4.34Å; I861-I866 HydrophobicContact CG2-CD1 3.28Å; I861-I866 HydrophobicContact CG2-CG1 3.58Å; Y862-I866 WeakPolarHBondContact O-CG1 3.31Å; H863-I866 PolarHBondContact O-N 2.86Å; I866-Y868 PolarHBondContact O-N 3.46Å; I866-Y868 VanDerWaalsContact O-N 3.15Å; I866-L869 WeakPolarHBondContact O-CB 3.34Å; I866-L869 PolarHBondContact O-N 3.09Å; I866-Y913 HydrophobicContact CG2-CD2 4.2Å; I866-Y913 HydrophobicContact CG2-CE2 3.49Å; I866-Y913 VanDerWaalsContact CG2-CE2 3.49Å; I866-Y916 HydrophobicContact CB-CE1 4.24Å; I866-Y916 HydrophobicContact CD1-CD1 4.2Å; I866-Y916 HydrophobicContact CD1-CD2 4.49Å; I866-Y916 HydrophobicContact CD1-CE1 3.36Å; I866-Y916 HydrophobicContact CD1-CE2 3.72Å; I866-Y916 WeakPolarHBondContact CD1-OH 3.23Å; I866-Y916 HydrophobicContact CG1-CE1 4.42Å; I866-Y916 HydrophobicContact CG2-CD1 3.85Å; I866-Y916 HydrophobicContact CG2-CE1 3.77Å
867	K	57.3	Low	61.2	Low	144 Å²	144	53.9 Å²	53.9	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-58	-30.9	175.3	-71.2	-174.4	177.3	-176.9	0	112.4	Y865 L869 H871	Y865-K867 PolarHBondContact O-N 3.42Å; K867-L869 VanDerWaalsContact C-N 3.34Å; K867-H871 PolarHBondContact O-CD2 2.7Å; K867-H871 VanDerWaalsContact O-CD2 3.27Å
868	Y	55.6	Low	61.4	Low	50 Å²	50	50.8 Å²	50.8	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-80.6	-18.8	178.2	-48.5	-72.9	0	0	0	112.9	V630 Y634 Y865 I866 H871 S872	V630-Y868 HydrophobicContact CG1-CD1 4.24Å; V630-Y868 HydrophobicContact CG1-CE1 4.48Å; Y634-Y868 AromaticContact CD2-CE1 3.49Å; Y634-Y868 HydrophobicContact CD2-CE1 3.49Å; Y634-Y868 VanDerWaalsContact CD2-CE1 3.49Å; Y634-Y868 HydrophobicContact CD2-CE2 4.25Å; Y634-Y868 AromaticContact CD2-CZ 3.36Å; Y634-Y868 WeakPolarHBondContact CD2-OH 3.15Å; Y634-Y868 HydrophobicContact CE1-CE2 4.48Å; Y634-Y868 AromaticContact CE2-CE1 3.84Å; Y634-Y868 HydrophobicContact CE2-CE1 3.84Å; Y634-Y868 AromaticContact CE2-CE2 3.72Å; Y634-Y868 HydrophobicContact CE2-CE2 3.72Å; Y634-Y868 AromaticContact CE2-CZ 3.17Å; Y634-Y868 WeakPolarHBondContact CE2-OH 3.49Å; Y634-Y868 AromaticContact CG-CE1 3.95Å; Y634-Y868 HydrophobicContact CG-CE1 3.95Å; Y634-Y868 AromaticContact CZ-CE2 3.8Å; Y634-Y868 AromaticContact CZ-CZ 3.75Å; Y865-Y868 HydrophobicContact CD1-CE2 4.49Å; Y865-Y868 WeakPolarHBondContact O-CD2 3.25Å; Y865-Y868 PolarHBondContact O-N 2.95Å; I866-Y868 PolarHBondContact O-N 3.46Å; I866-Y868 VanDerWaalsContact O-N 3.15Å; Y868-H871 PolarHBondContact O-N 2.77Å; Y868-S872 WeakPolarHBondContact O-CB 3.24Å; Y868-S872 PolarHBondContact O-N 3.11Å; Y868-S872 PolarHBondContact O-OG 2.92Å
869	L	61.2	Low	61.3	Low	1 Å²	1	46 Å²	46	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-48.1	-177.2	-169.5	60.8	0	0	0	111.2	F855 I866 K867 H871 S872 I873 F909 L929 F933	F855-L869 HydrophobicContact CB-CD1 3.66Å; F855-L869 HydrophobicContact CD1-CB 4.05Å; F855-L869 HydrophobicContact CD1-CD1 3.59Å; F855-L869 HydrophobicContact CD1-CG 4.38Å; F855-L869 HydrophobicContact CD2-CD1 3.52Å; F855-L869 HydrophobicContact CE1-CB 4.2Å; F855-L869 HydrophobicContact CE1-CD1 4.02Å; F855-L869 HydrophobicContact CE2-CD1 3.94Å; F855-L869 HydrophobicContact CG-CD1 3.31Å; F855-L869 HydrophobicContact CG-CG 4.44Å; F855-L869 HydrophobicContact CZ-CD1 4.16Å; I866-L869 WeakPolarHBondContact O-CB 3.34Å; I866-L869 PolarHBondContact O-N 3.09Å; K867-L869 VanDerWaalsContact C-N 3.34Å; L869-H871 VanDerWaalsContact C-N 3.34Å; L869-H871 PolarHBondContact O-N 3.13Å; L869-S872 PolarHBondContact O-N 2.91Å; L869-I873 HydrophobicContact CD1-CD1 4.15Å; L869-I873 HydrophobicContact CG-CD1 3.89Å; L869-I873 VanDerWaalsContact O-CB 3.31Å; L869-I873 WeakPolarHBondContact O-CB 3.44Å; L869-I873 WeakPolarHBondContact O-CD1 3.05Å; L869-I873 WeakPolarHBondContact O-CG1 3.27Å; L869-I873 PolarHBondContact O-N 2.65Å; L869-F909 HydrophobicContact CD2-CE2 4.32Å; L869-F909 HydrophobicContact CG-CE2 4.29Å; L869-F909 HydrophobicContact CG-CZ 4.32Å; L869-L929 HydrophobicContact CD2-CD1 4.27Å; L869-F933 HydrophobicContact CD1-CE1 3.65Å; L869-F933 HydrophobicContact CD1-CE2 4.28Å; L869-F933 HydrophobicContact CD1-CZ 3.2Å; L869-F933 HydrophobicContact CD2-CE2 4.19Å; L869-F933 HydrophobicContact CD2-CZ 3.71Å; L869-F933 HydrophobicContact CG-CE1 4.4Å; L869-F933 HydrophobicContact CG-CZ 3.65Å
870	Q	65.6	Low	61.4	Low	46 Å²	46	45.2 Å²	45.2	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-47.5	177	-176	170.8	24.8	0	0	111.2	I873 N874 F909 D910 Y913	Q870-I873 PolarHBondContact O-N 2.78Å; Q870-N874 WeakPolarHBondContact O-CB 3.25Å; Q870-N874 PolarHBondContact O-N 2.85Å; Q870-N874 PolarHBondContact O-ND2 3Å; Q870-F909 HydrophobicContact CB-CE1 3.55Å; Q870-F909 HydrophobicContact CB-CZ 3.93Å; Q870-F909 HydrophobicContact CG-CD1 4.33Å; Q870-F909 HydrophobicContact CG-CE1 3.58Å; Q870-F909 HydrophobicContact CG-CZ 4.45Å; Q870-D910 PolarHBondContact NE2-OD1 3.07Å; Q870-Y913 HydrophobicContact CB-CE2 4.4Å
871	H	64	Low	61.6	Low	50 Å²	50	41.2 Å²	41.2	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-41.8	-177.1	-68.5	-63.1	0	0	0	113.3	Q627 V630 K867 Y868 L869 N874 M875	Q627-H871 VanDerWaalsContact OE1-CG 3.32Å; Q627-H871 PolarHBondContact OE1-ND1 2.67Å; Q627-H871 PolarHBondContact OE1-O 3.47Å; V630-H871 HydrophobicContact CG1-CB 4.47Å; K867-H871 PolarHBondContact O-CD2 2.7Å; K867-H871 VanDerWaalsContact O-CD2 3.27Å; Y868-H871 PolarHBondContact O-N 2.77Å; L869-H871 VanDerWaalsContact C-N 3.34Å; L869-H871 PolarHBondContact O-N 3.13Å; H871-N874 PolarHBondContact O-N 3.37Å; H871-M875 PolarHBondContact O-N 2.86Å
872	S	63	Low	61.4	Low	1 Å²	1	40.1 Å²	40.1	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-47	175.1	-70.2	0	0	0	0	112.6	Y868 L869 M875 I876	Y868-S872 WeakPolarHBondContact O-CB 3.24Å; Y868-S872 PolarHBondContact O-N 3.11Å; Y868-S872 PolarHBondContact O-OG 2.92Å; L869-S872 PolarHBondContact O-N 2.91Å; S872-M875 WeakPolarHBondContact O-CB 3.4Å; S872-M875 PolarHBondContact O-N 2.81Å; S872-I876 WeakPolarHBondContact O-CG1 3.41Å; S872-I876 PolarHBondContact O-N 3.2Å; S872-I876 VanDerWaalsContact O-N 3.1Å
873	I	66.1	Low	61.2	Low	4 Å²	4	35.9 Å²	35.9	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-46	177.3	-76.8	168.2	0	0	0	110.5	L869 Q870 M875 I876 L877 F909 F933 L936	L869-I873 HydrophobicContact CD1-CD1 4.15Å; L869-I873 HydrophobicContact CG-CD1 3.89Å; L869-I873 VanDerWaalsContact O-CB 3.31Å; L869-I873 WeakPolarHBondContact O-CB 3.44Å; L869-I873 WeakPolarHBondContact O-CD1 3.05Å; L869-I873 WeakPolarHBondContact O-CG1 3.27Å; L869-I873 PolarHBondContact O-N 2.65Å; Q870-I873 PolarHBondContact O-N 2.78Å; I873-M875 VanDerWaalsContact C-N 3.29Å; I873-M875 PolarHBondContact O-N 2.68Å; I873-I876 PolarHBondContact O-N 3.01Å; I873-I876 VanDerWaalsContact O-N 3.15Å; I873-L877 HydrophobicContact CG2-CD1 3.66Å; I873-L877 HydrophobicContact CG2-CG 4.18Å; I873-L877 WeakPolarHBondContact O-CB 3.42Å; I873-L877 WeakPolarHBondContact O-CG 3.23Å; I873-L877 PolarHBondContact O-N 3.45Å; I873-F909 HydrophobicContact CD1-CD2 3.58Å; I873-F909 HydrophobicContact CD1-CE2 3.13Å; I873-F909 HydrophobicContact CD1-CG 4.47Å; I873-F909 HydrophobicContact CD1-CZ 3.74Å; I873-F933 HydrophobicContact CD1-CD1 4.45Å; I873-F933 HydrophobicContact CD1-CE1 3.48Å; I873-F933 VanDerWaalsContact CD1-CE1 3.48Å; I873-F933 HydrophobicContact CD1-CZ 3.63Å; I873-F933 HydrophobicContact CG1-CE1 3.84Å; I873-F933 HydrophobicContact CG1-CZ 4.45Å; I873-L936 HydrophobicContact CB-CD1 4.16Å; I873-L936 HydrophobicContact CG1-CD1 4.11Å; I873-L936 HydrophobicContact CG2-CD1 3.57Å
874	N	66.7	Low	61.3	Low	28 Å²	28	30 Å²	30	15%	0.15	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-37.2	178.8	-74.2	-22.1	0	0	0	112.1	Q627 Q870 H871 L878	Q627-N874 HydrophobicContact CG-CB 4.28Å; Q870-N874 WeakPolarHBondContact O-CB 3.25Å; Q870-N874 PolarHBondContact O-N 2.85Å; Q870-N874 PolarHBondContact O-ND2 3Å; H871-N874 PolarHBondContact O-N 3.37Å; N874-L878 VanDerWaalsContact O-CB 3.23Å; N874-L878 WeakPolarHBondContact O-CB 3.12Å; N874-L878 PolarHBondContact O-N 3.36Å
875	M	65.1	Low	61.1	Low	3 Å²	3	28 Å²	28	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-48	171.9	-80.2	-64.4	-71.8	0	0	112.7	Q627 I628 L631 H871 S872 I873 L878 L879	Q627-M875 HydrophobicContact CB-CG 3.39Å; Q627-M875 HydrophobicContact CB-SD 3.29Å; Q627-M875 WeakPolarHBondContact CB-SD 3.43Å; Q627-M875 HydrophobicContact CG-CG 3.76Å; Q627-M875 HydrophobicContact CG-SD 3.75Å; I628-M875 HydrophobicContact CD1-CE 4.3Å; I628-M875 HydrophobicContact CG1-CE 4Å; I628-M875 HydrophobicContact CG1-SD 4.3Å; L631-M875 HydrophobicContact CD1-CG 3.94Å; H871-M875 PolarHBondContact O-N 2.86Å; S872-M875 WeakPolarHBondContact O-CB 3.4Å; S872-M875 PolarHBondContact O-N 2.81Å; I873-M875 VanDerWaalsContact C-N 3.29Å; I873-M875 PolarHBondContact O-N 2.68Å; M875-L878 PolarHBondContact O-N 3.49Å; M875-L879 WeakPolarHBondContact O-CG 3.34Å; M875-L879 PolarHBondContact O-N 3.31Å
876	I	64.6	Low	60.6	Low	6 Å²	6	30.6 Å²	30.6	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-46.1	179.9	-62.7	165.4	0	0	0	110	S872 I873 L878 L879 I880 L936 I954 F991	S872-I876 WeakPolarHBondContact O-CG1 3.41Å; S872-I876 PolarHBondContact O-N 3.2Å; S872-I876 VanDerWaalsContact O-N 3.1Å; I873-I876 PolarHBondContact O-N 3.01Å; I873-I876 VanDerWaalsContact O-N 3.15Å; I876-L878 VanDerWaalsContact C-N 3.28Å; I876-L878 PolarHBondContact O-N 2.96Å; I876-L879 PolarHBondContact O-N 3.25Å; I876-I880 HydrophobicContact CG2-CD1 3.75Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 VanDerWaalsContact O-CG1 3.23Å; I876-I880 WeakPolarHBondContact O-CG1 3.24Å; I876-I880 PolarHBondContact O-N 3.42Å; I876-L936 HydrophobicContact CB-CD2 4.2Å; I876-L936 HydrophobicContact CD1-CD2 4.09Å; I876-L936 HydrophobicContact CG2-CD2 3.62Å; I876-L936 HydrophobicContact CG2-CG 4.34Å; I876-I954 HydrophobicContact CG1-CD1 4.25Å; I876-F991 HydrophobicContact CD1-CB 4.26Å; I876-F991 HydrophobicContact CD1-CD1 3.87Å; I876-F991 HydrophobicContact CD1-CD2 3.71Å; I876-F991 HydrophobicContact CD1-CE1 4.14Å; I876-F991 HydrophobicContact CD1-CE2 3.96Å; I876-F991 HydrophobicContact CD1-CG 3.65Å; I876-F991 HydrophobicContact CD1-CZ 4.15Å; I876-F991 HydrophobicContact CG1-CD2 4.05Å; I876-F991 HydrophobicContact CG1-CE2 4.05Å; I876-F991 HydrophobicContact CG1-CG 4.47Å; I876-F991 HydrophobicContact CG1-CZ 4.5Å
877	L	66.7	Low	60	Low	2 Å²	2	32.5 Å²	32.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-39.6	177.5	-76.6	176.3	0	0	0	112	I873 I880 K881 Y902 M905 L936	I873-L877 HydrophobicContact CG2-CD1 3.66Å; I873-L877 HydrophobicContact CG2-CG 4.18Å; I873-L877 WeakPolarHBondContact O-CB 3.42Å; I873-L877 WeakPolarHBondContact O-CG 3.23Å; I873-L877 PolarHBondContact O-N 3.45Å; L877-I880 PolarHBondContact O-N 3.19Å; L877-K881 PolarHBondContact O-N 3.14Å; L877-Y902 HydrophobicContact CB-CD2 4.23Å; L877-Y902 HydrophobicContact CB-CE2 3.63Å; L877-Y902 HydrophobicContact CD2-CD2 4.32Å; L877-Y902 HydrophobicContact CG-CE2 4.49Å; L877-M905 HydrophobicContact CD2-CE 3.98Å; L877-L936 HydrophobicContact CD1-CD1 4.35Å; L877-L936 HydrophobicContact CD2-CD1 3.95Å; L877-L936 HydrophobicContact CD2-CG 4.28Å; L877-L936 HydrophobicContact CG-CD1 3.78Å
878	L	63.4	Low	59.2	Low	7 Å²	7	27.8 Å²	27.8	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-43.5	176.9	-172.3	139.6	0	0	0	111.8	Y620 N623 V624 N874 M875 I876 I880 K881 E882	Y620-L878 HydrophobicContact CD2-CD1 4.06Å; Y620-L878 HydrophobicContact CD2-CG 4.4Å; Y620-L878 HydrophobicContact CE2-CD1 3.84Å; Y620-L878 HydrophobicContact CE2-CD2 3.63Å; Y620-L878 HydrophobicContact CE2-CG 3.75Å; N623-L878 HydrophobicContact CB-CD1 4.12Å; V624-L878 HydrophobicContact CG2-CD1 3.62Å; V624-L878 HydrophobicContact CG2-CD2 3.62Å; V624-L878 HydrophobicContact CG2-CG 4.27Å; N874-L878 VanDerWaalsContact O-CB 3.23Å; N874-L878 WeakPolarHBondContact O-CB 3.12Å; N874-L878 PolarHBondContact O-N 3.36Å; M875-L878 PolarHBondContact O-N 3.49Å; I876-L878 VanDerWaalsContact C-N 3.28Å; I876-L878 PolarHBondContact O-N 2.96Å; L878-I880 PolarHBondContact O-N 2.96Å; L878-K881 PolarHBondContact O-N 3.47Å; L878-E882 WeakPolarHBondContact O-CG 3.29Å; L878-E882 PolarHBondContact O-N 3.21Å
879	L	60.7	Low	58.6	Low	18 Å²	18	33.4 Å²	33.4	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-39.7	174.2	-70.2	169.7	0	0	0	112.5	V661 M875 I876 K881 Q883 L945 I954	V661-L879 HydrophobicContact CG2-CD2 4.42Å; M875-L879 WeakPolarHBondContact O-CG 3.34Å; M875-L879 PolarHBondContact O-N 3.31Å; I876-L879 PolarHBondContact O-N 3.25Å; L879-K881 VanDerWaalsContact C-N 3.32Å; L879-K881 PolarHBondContact O-N 2.91Å; L879-Q883 WeakPolarHBondContact O-CB 3.33Å; L879-Q883 WeakPolarHBondContact O-CG 3.44Å; L879-Q883 PolarHBondContact O-N 3.09Å; L879-L945 HydrophobicContact CB-CD1 4.29Å; L879-I954 HydrophobicContact CD1-CD1 3.46Å; L879-I954 VanDerWaalsContact CD1-CD1 3.46Å; L879-I954 HydrophobicContact CD1-CG1 3.95Å
880	I	61.8	Low	57.6	Low	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-44.3	174.2	-67.8	167.8	0	0	0	109.9	I876 L877 L878 Q883 F884 F898 A940 A943 L945	I876-I880 HydrophobicContact CG2-CD1 3.75Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 VanDerWaalsContact O-CG1 3.23Å; I876-I880 WeakPolarHBondContact O-CG1 3.24Å; I876-I880 PolarHBondContact O-N 3.42Å; L877-I880 PolarHBondContact O-N 3.19Å; L878-I880 PolarHBondContact O-N 2.96Å; I880-Q883 PolarHBondContact O-N 3.32Å; I880-F884 HydrophobicContact CG2-CD2 3.69Å; I880-F884 HydrophobicContact CG2-CE2 3.45Å; I880-F884 VanDerWaalsContact CG2-CE2 3.45Å; I880-F884 WeakPolarHBondContact O-CD2 3.39Å; I880-F884 PolarHBondContact O-N 3.17Å; I880-F884 VanDerWaalsContact O-N 3.1Å; I880-F898 HydrophobicContact CB-CZ 4.31Å; I880-F898 HydrophobicContact CG2-CE2 3.46Å; I880-F898 VanDerWaalsContact CG2-CE2 3.46Å; I880-F898 HydrophobicContact CG2-CZ 3.43Å; I880-F898 VanDerWaalsContact CG2-CZ 3.43Å; I880-A940 HydrophobicContact CD1-CB 4.06Å; I880-A940 HydrophobicContact CG1-CB 4.49Å; I880-A943 HydrophobicContact CB-CB 4.46Å; I880-A943 HydrophobicContact CG1-CB 4.3Å; I880-A943 HydrophobicContact CG2-CB 4.1Å; I880-L945 HydrophobicContact CB-CD1 4.5Å; I880-L945 HydrophobicContact CG1-CD1 3.54Å
881	K	63	Low	56.3	Low	52 Å²	52	40.4 Å²	40.4	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-47.9	179.6	-176.5	173	-176.6	164.9	0	112.1	L877 L878 L879 Q883 F884 Q885 F898 E899 Y902	L877-K881 PolarHBondContact O-N 3.14Å; L878-K881 PolarHBondContact O-N 3.47Å; L879-K881 VanDerWaalsContact C-N 3.32Å; L879-K881 PolarHBondContact O-N 2.91Å; K881-Q883 VanDerWaalsContact C-N 3.3Å; K881-Q883 PolarHBondContact O-N 3.46Å; K881-F884 PolarHBondContact O-N 3.47Å; K881-Q885 PolarHBondContact O-N 2.93Å; K881-F898 HydrophobicContact CB-CE1 3.96Å; K881-F898 HydrophobicContact CB-CZ 4.44Å; K881-F898 HydrophobicContact CG-CE1 4.17Å; K881-E899 IonicContact NZ-OE1 3.26Å; K881-E899 PolarHBondContact NZ-OE1 2.63Å; K881-E899 VanDerWaalsContact NZ-OE1 3.15Å; K881-Y902 HydrophobicContact CB-CE2 4.46Å
882	E	57.9	Low	55.5	Low	18 Å²	18	46.7 Å²	46.7	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-41.6	177.2	-70.9	-64.4	130.3	0	0	111.6	Y620 L878 F884 Q885 H886	Y620-E882 HydrophobicContact CE2-CG 3.93Å; Y620-E882 WeakPolarHBondContact CE2-OE1 3.41Å; Y620-E882 VanDerWaalsContact OH-CD 3.24Å; Y620-E882 VanDerWaalsContact OH-CG 3.28Å; Y620-E882 WeakPolarHBondContact OH-CG 3.22Å; Y620-E882 PolarHBondContact OH-OE1 3.22Å; L878-E882 WeakPolarHBondContact O-CG 3.29Å; L878-E882 PolarHBondContact O-N 3.21Å; E882-F884 PolarHBondContact O-N 2.86Å; E882-Q885 PolarHBondContact O-N 3.15Å; E882-H886 PolarHBondContact O-N 2.77Å
883	Q	55.1	Low	54.8	Low	5 Å²	5	48.9 Å²	48.9	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-44.7	175.6	-80	-60.5	-44.2	0	0	113.2	E665 R668 L879 I880 K881 H887 A943	E665-Q883 VanDerWaalsContact CG-NE2 3.27Å; E665-Q883 PolarHBondContact OE1-NE2 3.25Å; R668-Q883 VanDerWaalsContact NH2-NE2 3.16Å; L879-Q883 WeakPolarHBondContact O-CB 3.33Å; L879-Q883 WeakPolarHBondContact O-CG 3.44Å; L879-Q883 PolarHBondContact O-N 3.09Å; I880-Q883 PolarHBondContact O-N 3.32Å; K881-Q883 VanDerWaalsContact C-N 3.3Å; K881-Q883 PolarHBondContact O-N 3.46Å; Q883-H887 WeakPolarHBondContact O-CB 3.27Å; Q883-H887 PolarHBondContact O-N 3.44Å; Q883-H887 PolarHBondContact O-ND1 2.97Å; Q883-H887 PolarHBondContact OE1-CE1 2.93Å; Q883-H887 PolarHBondContact OE1-ND1 2.96Å; Q883-A943 HydrophobicContact CB-CB 4.04Å
884	F	58.2	Low	54.2	Low	8 Å²	8	54.5 Å²	54.5	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-40.8	178.8	-79	-62.7	0	0	0	112.5	I880 K881 E882 H886 H887 S888 L891 V893 F898 Y939 L942 A943	I880-F884 HydrophobicContact CG2-CD2 3.69Å; I880-F884 HydrophobicContact CG2-CE2 3.45Å; I880-F884 VanDerWaalsContact CG2-CE2 3.45Å; I880-F884 WeakPolarHBondContact O-CD2 3.39Å; I880-F884 PolarHBondContact O-N 3.17Å; I880-F884 VanDerWaalsContact O-N 3.1Å; K881-F884 PolarHBondContact O-N 3.47Å; E882-F884 PolarHBondContact O-N 2.86Å; F884-H886 VanDerWaalsContact C-N 3.34Å; F884-H886 PolarHBondContact O-N 3.46Å; F884-H887 PolarHBondContact O-N 3.08Å; F884-S888 PolarHBondContact O-N 3.33Å; F884-L891 HydrophobicContact CD1-CB 4.37Å; F884-L891 HydrophobicContact CD1-CD1 3.68Å; F884-L891 HydrophobicContact CE1-CB 4.38Å; F884-L891 HydrophobicContact CE1-CD1 3.77Å; F884-V893 HydrophobicContact CD1-CB 4.32Å; F884-V893 HydrophobicContact CD1-CG1 4.4Å; F884-V893 HydrophobicContact CD1-CG2 4.47Å; F884-V893 HydrophobicContact CE1-CB 4.07Å; F884-V893 HydrophobicContact CE1-CG1 4.13Å; F884-V893 HydrophobicContact CE1-CG2 3.79Å; F884-F898 HydrophobicContact CB-CD1 4.44Å; F884-F898 HydrophobicContact CD2-CD1 4.04Å; F884-F898 AromaticContact CD2-CD2 3.59Å; F884-F898 HydrophobicContact CD2-CD2 3.59Å; F884-F898 AromaticContact CD2-CE1 3.97Å; F884-F898 HydrophobicContact CD2-CE1 3.97Å; F884-F898 AromaticContact CD2-CE2 3.51Å; F884-F898 HydrophobicContact CD2-CE2 3.51Å; F884-F898 AromaticContact CD2-CG 3.86Å; F884-F898 HydrophobicContact CD2-CG 3.86Å; F884-F898 AromaticContact CD2-CZ 3.72Å; F884-F898 HydrophobicContact CD2-CZ 3.72Å; F884-F898 AromaticContact CE2-CD2 3.56Å; F884-F898 HydrophobicContact CE2-CD2 3.56Å; F884-F898 AromaticContact CE2-CE2 3.48Å; F884-F898 HydrophobicContact CE2-CE2 3.48Å; F884-F898 VanDerWaalsContact CE2-CE2 3.48Å; F884-F898 HydrophobicContact CE2-CG 4.26Å; F884-F898 HydrophobicContact CE2-CZ 4.12Å; F884-F898 HydrophobicContact CG-CD1 4.49Å; F884-F898 HydrophobicContact CG-CD2 4.45Å; F884-F898 HydrophobicContact CG-CG 4.36Å; F884-F898 HydrophobicContact CZ-CD2 4.41Å; F884-Y939 HydrophobicContact CE2-CD1 4.42Å; F884-L942 HydrophobicContact CZ-CB 4Å; F884-A943 HydrophobicContact CE2-CB 4.18Å; F884-A943 HydrophobicContact CZ-CB 4.39Å
885	Q	53.1	Low	53.3	Low	102 Å²	102	57.9 Å²	57.9	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-36.6	178.5	-74.2	-171.3	-28.7	0	0	112.7	K881 E882	K881-Q885 PolarHBondContact O-N 2.93Å; E882-Q885 PolarHBondContact O-N 3.15Å
886	H	46.6	Very low	52.8	Low	92 Å²	92	64.1 Å²	64.1	43%	0.426	32%	0.317	S	S	.	.	H	α-helix	trans	-79.8	-18.7	178.5	-83.6	-62.6	0	0	0	114.5	E882 F884 I1157	E882-H886 PolarHBondContact O-N 2.77Å; F884-H886 VanDerWaalsContact C-N 3.34Å; F884-H886 PolarHBondContact O-N 3.46Å; H886-I1157 VanDerWaalsContact CE1-CD1 3.45Å; H886-I1157 WeakPolarHBondContact CE1-CD1 3.36Å
887	H	43.8	Very low	52.5	Low	45 Å²	45	68.5 Å²	68.5	21%	0.208	34%	0.34	C	S	.	.	H	α-helix	trans	-124.1	14.9	-172.8	-60.9	82.5	0	0	0	114.6	N669 Q883 F884 E889 Y890 L891	N669-H887 PolarHBondContact ND2-CE1 3.2Å; N669-H887 PolarHBondContact ND2-NE2 2.72Å; Q883-H887 WeakPolarHBondContact O-CB 3.27Å; Q883-H887 PolarHBondContact O-N 3.44Å; Q883-H887 PolarHBondContact O-ND1 2.97Å; Q883-H887 PolarHBondContact OE1-CE1 2.93Å; Q883-H887 PolarHBondContact OE1-ND1 2.96Å; F884-H887 PolarHBondContact O-N 3.08Å; H887-E889 PolarHBondContact O-N 3.17Å; H887-E889 VanDerWaalsContact O-N 3.09Å; H887-Y890 PolarHBondContact O-N 3.24Å; H887-L891 HydrophobicContact CB-CD1 3.87Å; H887-L891 HydrophobicContact CB-CG 4.26Å; H887-L891 PolarHBondContact O-N 2.84Å
888	S	41.4	Very low	52.1	Low	45 Å²	45	68.9 Å²	68.9	32%	0.315	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	-177	58	0	0	0	0	113.9	F884 Y890 E895	F884-S888 PolarHBondContact O-N 3.33Å; S888-Y890 PolarHBondContact O-N 3.45Å; S888-E895 WeakPolarHBondContact CB-OE1 3.48Å; S888-E895 PolarHBondContact OG-OE1 3.18Å
889	E	43.2	Very low	51.9	Low	169 Å²	169	72.9 Å²	72.9	79%	0.79	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.7	172	-73.3	-172.5	175.7	0	0	114	H887	H887-E889 PolarHBondContact O-N 3.17Å; H887-E889 VanDerWaalsContact O-N 3.09Å
890	Y	39.9	Very low	51.8	Low	160 Å²	160	74.6 Å²	74.6	63%	0.627	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-30.1	-174.9	-68.5	-73	0	0	0	114	H887 S888	H887-Y890 PolarHBondContact O-N 3.24Å; S888-Y890 PolarHBondContact O-N 3.45Å
891	L	38.6	Very low	52	Low	33 Å²	33	76.9 Å²	76.9	17%	0.173	39%	0.389	C	S	.	.	S	Bend	trans	-88.5	111.7	174	-66.6	169.3	0	0	0	106.7	F884 H887 V893	F884-L891 HydrophobicContact CD1-CB 4.37Å; F884-L891 HydrophobicContact CD1-CD1 3.68Å; F884-L891 HydrophobicContact CE1-CB 4.38Å; F884-L891 HydrophobicContact CE1-CD1 3.77Å; H887-L891 HydrophobicContact CB-CD1 3.87Å; H887-L891 HydrophobicContact CB-CG 4.26Å; H887-L891 PolarHBondContact O-N 2.84Å; L891-V893 HydrophobicContact CB-CG2 4.27Å; L891-V893 PolarHBondContact O-N 3.33Å
892	N	45.9	Very low	52	Low	182 Å²	182	75.8 Å²	75.8	97%	0.973	38%	0.384	S	S	*	.			trans	-70.4	46.4	-179.5	-135	22	0	0	0	111.6
893	V	48.4	Very low	52.3	Low	48 Å²	48	80.2 Å²	80.2	29%	0.291	41%	0.407	S	S	.	.			trans	-112.4	118.1	-175.5	-179.3	0	0	0	0	106.7	F884 L891 E895 F898	F884-V893 HydrophobicContact CD1-CB 4.32Å; F884-V893 HydrophobicContact CD1-CG1 4.4Å; F884-V893 HydrophobicContact CD1-CG2 4.47Å; F884-V893 HydrophobicContact CE1-CB 4.07Å; F884-V893 HydrophobicContact CE1-CG1 4.13Å; F884-V893 HydrophobicContact CE1-CG2 3.79Å; L891-V893 HydrophobicContact CB-CG2 4.27Å; L891-V893 PolarHBondContact O-N 3.33Å; V893-E895 PolarHBondContact O-N 3.25Å; V893-F898 HydrophobicContact CG1-CB 4.27Å
894	D	53.4	Low	52.8	Low	121 Å²	121	84.2 Å²	84.2	65%	0.647	43%	0.429	S	S	*	.			trans	-57.2	111.5	171.3	-91	-34.1	0	0	0	109	N896 N897 F898	D894-N896 PolarHBondContact O-N 3.47Å; D894-N896 VanDerWaalsContact O-N 3.16Å; D894-N897 HydrophobicContact CB-CB 3.84Å; D894-N897 WeakPolarHBondContact O-CA 3.45Å; D894-N897 WeakPolarHBondContact O-CB 3.27Å; D894-N897 PolarHBondContact O-N 2.97Å; D894-F898 PolarHBondContact O-N 2.71Å; D894-F898 VanDerWaalsContact O-N 3.08Å
895	E	49.1	Very low	53.2	Low	99 Å²	99	84 Å²	84	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-50.5	-41	178	-75.4	-177.5	166.3	0	0	111.5	S888 V893 N897 F898 E899	S888-E895 WeakPolarHBondContact CB-OE1 3.48Å; S888-E895 PolarHBondContact OG-OE1 3.18Å; V893-E895 PolarHBondContact O-N 3.25Å; E895-N897 VanDerWaalsContact C-N 3.27Å; E895-N897 PolarHBondContact O-N 2.65Å; E895-F898 PolarHBondContact O-N 3.08Å; E895-E899 PolarHBondContact O-N 3.38Å
896	N	53.1	Low	53.7	Low	134 Å²	134	80.2 Å²	80.2	72%	0.717	41%	0.414	S	S	*	.	H	α-helix	trans	-59.3	-37.5	177.1	-68.6	-25.3	0	0	0	112.6	D894 A900	D894-N896 PolarHBondContact O-N 3.47Å; D894-N896 VanDerWaalsContact O-N 3.16Å; N896-A900 WeakPolarHBondContact O-CB 3.41Å; N896-A900 PolarHBondContact O-N 3.08Å; N896-A900 VanDerWaalsContact O-N 3.14Å
897	N	59.6	Low	54.7	Low	98 Å²	98	82.6 Å²	82.6	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-76.1	-36.9	-179.1	-153.9	7.5	0	0	0	110.4	D894 E895 N901	D894-N897 HydrophobicContact CB-CB 3.84Å; D894-N897 WeakPolarHBondContact O-CA 3.45Å; D894-N897 WeakPolarHBondContact O-CB 3.27Å; D894-N897 PolarHBondContact O-N 2.97Å; E895-N897 VanDerWaalsContact C-N 3.27Å; E895-N897 PolarHBondContact O-N 2.65Å; N897-N901 WeakPolarHBondContact O-CB 3.16Å; N897-N901 VanDerWaalsContact O-CG 3.32Å; N897-N901 PolarHBondContact O-N 3.39Å; N897-N901 PolarHBondContact O-ND2 3.35Å; N897-N901 PolarHBondContact OD1-ND2 3.3Å
898	F	58.8	Low	55.9	Low	10 Å²	10	83.2 Å²	83.2	4%	0.044	42%	0.423	C	S	.	.	H	α-helix	trans	-64.7	-45.9	172.9	177.2	-98.9	0	0	0	111.7	I880 K881 F884 V893 D894 E895 A900 N901 Y902 Y939	I880-F898 HydrophobicContact CB-CZ 4.31Å; I880-F898 HydrophobicContact CG2-CE2 3.46Å; I880-F898 VanDerWaalsContact CG2-CE2 3.46Å; I880-F898 HydrophobicContact CG2-CZ 3.43Å; I880-F898 VanDerWaalsContact CG2-CZ 3.43Å; K881-F898 HydrophobicContact CB-CE1 3.96Å; K881-F898 HydrophobicContact CB-CZ 4.44Å; K881-F898 HydrophobicContact CG-CE1 4.17Å; F884-F898 HydrophobicContact CB-CD1 4.44Å; F884-F898 HydrophobicContact CD2-CD1 4.04Å; F884-F898 AromaticContact CD2-CD2 3.59Å; F884-F898 HydrophobicContact CD2-CD2 3.59Å; F884-F898 AromaticContact CD2-CE1 3.97Å; F884-F898 HydrophobicContact CD2-CE1 3.97Å; F884-F898 AromaticContact CD2-CE2 3.51Å; F884-F898 HydrophobicContact CD2-CE2 3.51Å; F884-F898 AromaticContact CD2-CG 3.86Å; F884-F898 HydrophobicContact CD2-CG 3.86Å; F884-F898 AromaticContact CD2-CZ 3.72Å; F884-F898 HydrophobicContact CD2-CZ 3.72Å; F884-F898 AromaticContact CE2-CD2 3.56Å; F884-F898 HydrophobicContact CE2-CD2 3.56Å; F884-F898 AromaticContact CE2-CE2 3.48Å; F884-F898 HydrophobicContact CE2-CE2 3.48Å; F884-F898 VanDerWaalsContact CE2-CE2 3.48Å; F884-F898 HydrophobicContact CE2-CG 4.26Å; F884-F898 HydrophobicContact CE2-CZ 4.12Å; F884-F898 HydrophobicContact CG-CD1 4.49Å; F884-F898 HydrophobicContact CG-CD2 4.45Å; F884-F898 HydrophobicContact CG-CG 4.36Å; F884-F898 HydrophobicContact CZ-CD2 4.41Å; V893-F898 HydrophobicContact CG1-CB 4.27Å; D894-F898 PolarHBondContact O-N 2.71Å; D894-F898 VanDerWaalsContact O-N 3.08Å; E895-F898 PolarHBondContact O-N 3.08Å; F898-A900 PolarHBondContact O-N 3.36Å; F898-N901 CarbonylContact O-C 3.59Å; F898-N901 PolarHBondContact O-N 2.65Å; F898-Y902 HydrophobicContact CE1-CD2 4.34Å; F898-Y902 HydrophobicContact CZ-CD2 4.2Å; F898-Y902 VanDerWaalsContact O-CB 3.3Å; F898-Y902 WeakPolarHBondContact O-CB 3.25Å; F898-Y902 PolarHBondContact O-N 2.88Å; F898-Y939 AromaticContact CD2-CD1 3.91Å; F898-Y939 HydrophobicContact CD2-CD1 3.91Å; F898-Y939 AromaticContact CD2-CE1 3.98Å; F898-Y939 HydrophobicContact CD2-CE1 3.98Å; F898-Y939 AromaticContact CE2-CD1 3.93Å; F898-Y939 HydrophobicContact CE2-CD1 3.93Å; F898-Y939 HydrophobicContact CE2-CE1 4.38Å; F898-Y939 HydrophobicContact CE2-CG 4.3Å
899	E	57.9	Low	57.3	Low	91 Å²	91	81.2 Å²	81.2	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-40.3	-178.6	-166.3	166.5	-137.7	0	0	112.1	K881 E895 Y902 L903	K881-E899 IonicContact NZ-OE1 3.26Å; K881-E899 PolarHBondContact NZ-OE1 2.63Å; K881-E899 VanDerWaalsContact NZ-OE1 3.15Å; E895-E899 PolarHBondContact O-N 3.38Å; E899-Y902 PolarHBondContact O-N 3.49Å; E899-L903 WeakPolarHBondContact O-CG 2.88Å; E899-L903 PolarHBondContact O-N 3.46Å
900	A	59.6	Low	58.4	Low	55 Å²	55	76.8 Å²	76.8	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-45.4	172.2	0	0	0	0	0	111.9	N896 F898 L903 L904	N896-A900 WeakPolarHBondContact O-CB 3.41Å; N896-A900 PolarHBondContact O-N 3.08Å; N896-A900 VanDerWaalsContact O-N 3.14Å; F898-A900 PolarHBondContact O-N 3.36Å; A900-L903 PolarHBondContact O-N 3.49Å; A900-L904 WeakPolarHBondContact O-CB 3.37Å; A900-L904 PolarHBondContact O-N 3.17Å
901	N	65.2	Low	59.9	Low	47 Å²	47	73.7 Å²	73.7	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.6	-77.9	-54.5	0	0	0	112.7	N897 F898 L904 M905 Y939	N897-N901 WeakPolarHBondContact O-CB 3.16Å; N897-N901 VanDerWaalsContact O-CG 3.32Å; N897-N901 PolarHBondContact O-N 3.39Å; N897-N901 PolarHBondContact O-ND2 3.35Å; N897-N901 PolarHBondContact OD1-ND2 3.3Å; F898-N901 CarbonylContact O-C 3.59Å; F898-N901 PolarHBondContact O-N 2.65Å; N901-L904 PolarHBondContact O-N 2.89Å; N901-M905 WeakPolarHBondContact O-CB 3.2Å; N901-M905 VanDerWaalsContact O-CG 3.26Å; N901-M905 WeakPolarHBondContact O-CG 3.45Å; N901-M905 PolarHBondContact O-N 3.48Å; N901-Y939 HydrophobicContact CB-CE2 4.48Å; N901-Y939 WeakPolarHBondContact CB-OH 3.35Å; N901-Y939 VanDerWaalsContact CG-OH 3.27Å; N901-Y939 PolarHBondContact ND2-OH 3.1Å
902	Y	64	Low	61.3	Low	30 Å²	30	72.3 Å²	72.3	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-50.6	174.1	172.9	-82.8	0	0	0	110.7	L877 K881 F898 E899 L904 M905 A906	L877-Y902 HydrophobicContact CB-CD2 4.23Å; L877-Y902 HydrophobicContact CB-CE2 3.63Å; L877-Y902 HydrophobicContact CD2-CD2 4.32Å; L877-Y902 HydrophobicContact CG-CE2 4.49Å; K881-Y902 HydrophobicContact CB-CE2 4.46Å; F898-Y902 HydrophobicContact CE1-CD2 4.34Å; F898-Y902 HydrophobicContact CZ-CD2 4.2Å; F898-Y902 VanDerWaalsContact O-CB 3.3Å; F898-Y902 WeakPolarHBondContact O-CB 3.25Å; F898-Y902 PolarHBondContact O-N 2.88Å; E899-Y902 PolarHBondContact O-N 3.49Å; Y902-L904 VanDerWaalsContact C-N 3.31Å; Y902-L904 PolarHBondContact O-N 3.21Å; Y902-M905 PolarHBondContact O-N 3.46Å; Y902-A906 WeakPolarHBondContact O-CB 2.97Å; Y902-A906 PolarHBondContact O-N 3Å
903	L	62.9	Low	62.3	Low	110 Å²	110	64.8 Å²	64.8	58%	0.576	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-40.5	178.2	-72.1	171.2	0	0	0	111.3	E899 A900 Y907	E899-L903 WeakPolarHBondContact O-CG 2.88Å; E899-L903 PolarHBondContact O-N 3.46Å; A900-L903 PolarHBondContact O-N 3.49Å; L903-Y907 VanDerWaalsContact O-CB 3.3Å; L903-Y907 WeakPolarHBondContact O-CB 2.84Å; L903-Y907 PolarHBondContact O-N 2.76Å
904	L	65.3	Low	63	Low	89 Å²	89	65.2 Å²	65.2	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.8	-154.9	99.9	0	0	0	111.6	A900 N901 Y902 Y907 E908	A900-L904 WeakPolarHBondContact O-CB 3.37Å; A900-L904 PolarHBondContact O-N 3.17Å; N901-L904 PolarHBondContact O-N 2.89Å; Y902-L904 VanDerWaalsContact C-N 3.31Å; Y902-L904 PolarHBondContact O-N 3.21Å; L904-Y907 PolarHBondContact O-N 3.27Å; L904-E908 WeakPolarHBondContact CD2-OE1 3.39Å; L904-E908 WeakPolarHBondContact O-CB 3.24Å; L904-E908 VanDerWaalsContact O-CG 3.28Å; L904-E908 WeakPolarHBondContact O-CG 2.98Å; L904-E908 PolarHBondContact O-N 3.44Å
905	M	67	Low	63.4	Low	5 Å²	5	63.6 Å²	63.6	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-42.4	177.4	-77.1	-174.1	-63.7	0	0	112.2	L877 N901 Y902 Y907 F909 K935 Y939	L877-M905 HydrophobicContact CD2-CE 3.98Å; N901-M905 WeakPolarHBondContact O-CB 3.2Å; N901-M905 VanDerWaalsContact O-CG 3.26Å; N901-M905 WeakPolarHBondContact O-CG 3.45Å; N901-M905 PolarHBondContact O-N 3.48Å; Y902-M905 PolarHBondContact O-N 3.46Å; M905-Y907 VanDerWaalsContact C-N 3.35Å; M905-F909 VanDerWaalsContact O-CB 3.29Å; M905-F909 WeakPolarHBondContact O-CB 2.97Å; M905-F909 PolarHBondContact O-N 3.33Å; M905-K935 HydrophobicContact CG-CD 4.27Å; M905-K935 HydrophobicContact SD-CB 3.88Å; M905-K935 HydrophobicContact SD-CD 4.49Å; M905-Y939 HydrophobicContact CE-CD2 3.46Å; M905-Y939 VanDerWaalsContact CE-CD2 3.46Å; M905-Y939 HydrophobicContact CE-CE2 3.53Å; M905-Y939 HydrophobicContact CE-CG 4.32Å; M905-Y939 HydrophobicContact SD-CD2 3.63Å; M905-Y939 HydrophobicContact SD-CE2 3.66Å
906	A	64.5	Low	63.8	Low	21 Å²	21	60 Å²	60	17%	0.174	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-43.6	175.6	0	0	0	0	0	111.1	Y902 F909 D910	Y902-A906 WeakPolarHBondContact O-CB 2.97Å; Y902-A906 PolarHBondContact O-N 3Å; A906-F909 PolarHBondContact O-N 3.25Å; A906-D910 PolarHBondContact O-N 3.45Å
907	Y	67.4	Low	64	Low	143 Å²	143	58.3 Å²	58.3	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-65.7	-46.5	176.7	-177.4	-96.6	0	0	0	113.2	L903 L904 M905 F909 D910 Q911	L903-Y907 VanDerWaalsContact O-CB 3.3Å; L903-Y907 WeakPolarHBondContact O-CB 2.84Å; L903-Y907 PolarHBondContact O-N 2.76Å; L904-Y907 PolarHBondContact O-N 3.27Å; M905-Y907 VanDerWaalsContact C-N 3.35Å; Y907-F909 VanDerWaalsContact C-N 3.25Å; Y907-F909 PolarHBondContact O-N 3.49Å; Y907-D910 PolarHBondContact O-N 3.14Å; Y907-Q911 HydrophobicContact CD1-CG 4.38Å; Y907-Q911 HydrophobicContact CE1-CG 3.98Å; Y907-Q911 VanDerWaalsContact CE1-NE2 3.32Å; Y907-Q911 VanDerWaalsContact CZ-NE2 3.26Å; Y907-Q911 PolarHBondContact O-N 2.89Å; Y907-Q911 PolarHBondContact OH-NE2 3.36Å
908	E	69.3	Low	63.8	Low	57 Å²	57	59.3 Å²	59.3	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-43	174.4	-77	177.2	175.9	0	0	110	L904 Q911 C912 I932 K935	L904-E908 WeakPolarHBondContact CD2-OE1 3.39Å; L904-E908 WeakPolarHBondContact O-CB 3.24Å; L904-E908 VanDerWaalsContact O-CG 3.28Å; L904-E908 WeakPolarHBondContact O-CG 2.98Å; L904-E908 PolarHBondContact O-N 3.44Å; E908-Q911 PolarHBondContact O-N 2.87Å; E908-C912 PolarHBondContact O-N 2.59Å; E908-C912 PolarHBondContact O-SG 3.3Å; E908-I932 HydrophobicContact CB-CD1 3.84Å; E908-I932 HydrophobicContact CB-CG1 4.29Å; E908-K935 IonicContact OE1-NZ 3.15Å; E908-K935 PolarHBondContact OE1-NZ 2.94Å; E908-K935 VanDerWaalsContact OE1-NZ 3.16Å; E908-K935 IonicContact OE2-NZ 3.16Å; E908-K935 PolarHBondContact OE2-NZ 2.93Å
909	F	69.2	Low	63.6	Low	3 Å²	3	69.7 Å²	69.7	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-49.3	178.3	-178.4	-90.4	0	0	0	112.1	L869 Q870 I873 M905 A906 Y907 Q911 C912 Y913 L929 I932	L869-F909 HydrophobicContact CD2-CE2 4.32Å; L869-F909 HydrophobicContact CG-CE2 4.29Å; L869-F909 HydrophobicContact CG-CZ 4.32Å; Q870-F909 HydrophobicContact CB-CE1 3.55Å; Q870-F909 HydrophobicContact CB-CZ 3.93Å; Q870-F909 HydrophobicContact CG-CD1 4.33Å; Q870-F909 HydrophobicContact CG-CE1 3.58Å; Q870-F909 HydrophobicContact CG-CZ 4.45Å; I873-F909 HydrophobicContact CD1-CD2 3.58Å; I873-F909 HydrophobicContact CD1-CE2 3.13Å; I873-F909 HydrophobicContact CD1-CG 4.47Å; I873-F909 HydrophobicContact CD1-CZ 3.74Å; M905-F909 VanDerWaalsContact O-CB 3.29Å; M905-F909 WeakPolarHBondContact O-CB 2.97Å; M905-F909 PolarHBondContact O-N 3.33Å; A906-F909 PolarHBondContact O-N 3.25Å; Y907-F909 VanDerWaalsContact C-N 3.25Å; Y907-F909 PolarHBondContact O-N 3.49Å; F909-Q911 VanDerWaalsContact C-N 3.29Å; F909-Q911 PolarHBondContact O-N 3.04Å; F909-C912 PolarHBondContact O-N 3.33Å; F909-Y913 HydrophobicContact CE1-CD2 4.03Å; F909-Y913 HydrophobicContact CE1-CG 4.24Å; F909-Y913 AromaticContact CZ-CD2 3.89Å; F909-Y913 HydrophobicContact CZ-CD2 3.89Å; F909-Y913 HydrophobicContact CZ-CG 4.49Å; F909-Y913 VanDerWaalsContact O-CB 3.29Å; F909-Y913 WeakPolarHBondContact O-CB 3.28Å; F909-Y913 PolarHBondContact O-N 3.46Å; F909-L929 HydrophobicContact CD2-CD2 3.8Å; F909-L929 HydrophobicContact CE2-CD2 3.64Å; F909-I932 HydrophobicContact CB-CD1 4.29Å; F909-I932 HydrophobicContact CB-CG2 4.33Å; F909-I932 HydrophobicContact CD2-CG2 4.38Å
910	D	68	Low	63.3	Low	76 Å²	76	70.1 Å²	70.1	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-37.6	179.5	-77	-20.1	0	0	0	111.6	Q870 A906 Y907 Y913 S914	Q870-D910 PolarHBondContact NE2-OD1 3.07Å; A906-D910 PolarHBondContact O-N 3.45Å; Y907-D910 PolarHBondContact O-N 3.14Å; D910-Y913 PolarHBondContact O-N 2.78Å; D910-S914 VanDerWaalsContact O-CB 3.32Å; D910-S914 WeakPolarHBondContact O-CB 3Å; D910-S914 PolarHBondContact O-N 2.85Å; D910-S914 PolarHBondContact O-OG 3.16Å
911	Q	69.8	Low	62.6	Low	96 Å²	96	74.5 Å²	74.5	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-53.2	172.1	-76.2	-155.7	-17.7	0	0	111.7	Y907 E908 F909 Y913 S914 D915	Y907-Q911 HydrophobicContact CD1-CG 4.38Å; Y907-Q911 HydrophobicContact CE1-CG 3.98Å; Y907-Q911 VanDerWaalsContact CE1-NE2 3.32Å; Y907-Q911 VanDerWaalsContact CZ-NE2 3.26Å; Y907-Q911 PolarHBondContact O-N 2.89Å; Y907-Q911 PolarHBondContact OH-NE2 3.36Å; E908-Q911 PolarHBondContact O-N 2.87Å; F909-Q911 VanDerWaalsContact C-N 3.29Å; F909-Q911 PolarHBondContact O-N 3.04Å; Q911-Y913 PolarHBondContact O-N 3.09Å; Q911-S914 PolarHBondContact O-N 2.72Å; Q911-S914 VanDerWaalsContact O-N 3.16Å; Q911-S914 PolarHBondContact O-OG 3.46Å; Q911-D915 PolarHBondContact O-N 3.47Å; Q911-D915 VanDerWaalsContact O-N 3.16Å
912	C	69.1	Low	62.1	Low	4 Å²	4	77.3 Å²	77.3	3%	0.027	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-35.3	178.6	-63.1	0	0	0	0	112.3	E908 F909 C928 L929 I932	E908-C912 PolarHBondContact O-N 2.59Å; E908-C912 PolarHBondContact O-SG 3.3Å; F909-C912 PolarHBondContact O-N 3.33Å; C912-C928 HydrophobicContact CB-CB 3.82Å; C912-C928 WeakPolarHBondContact CB-SG 3.46Å; C912-C928 VanDerWaalsContact SG-C 3.51Å; C912-C928 WeakPolarHBondContact SG-CB 3.4Å; C912-C928 CovalentContact SG-SG 2.02Å; C912-C928 PolarHBondContact SG-SG 2.73Å; C912-L929 HydrophobicContact CB-CD2 3.71Å; C912-L929 HydrophobicContact CB-CG 4.12Å; C912-I932 HydrophobicContact CB-CD1 4.42Å; C912-I932 WeakPolarHBondContact SG-CD1 3.27Å
913	Y	65.9	Low	61.7	Low	23 Å²	23	83.2 Å²	83.2	9%	0.09	41%	0.41	C	S	.	.	H	α-helix	trans	-74.3	-38.6	178.4	-169	-85.9	0	0	0	112	I866 Q870 F909 D910 Q911 D915 Y916 D917	I866-Y913 HydrophobicContact CG2-CD2 4.2Å; I866-Y913 HydrophobicContact CG2-CE2 3.49Å; I866-Y913 VanDerWaalsContact CG2-CE2 3.49Å; Q870-Y913 HydrophobicContact CB-CE2 4.4Å; F909-Y913 HydrophobicContact CE1-CD2 4.03Å; F909-Y913 HydrophobicContact CE1-CG 4.24Å; F909-Y913 AromaticContact CZ-CD2 3.89Å; F909-Y913 HydrophobicContact CZ-CD2 3.89Å; F909-Y913 HydrophobicContact CZ-CG 4.49Å; F909-Y913 VanDerWaalsContact O-CB 3.29Å; F909-Y913 WeakPolarHBondContact O-CB 3.28Å; F909-Y913 PolarHBondContact O-N 3.46Å; D910-Y913 PolarHBondContact O-N 2.78Å; Q911-Y913 PolarHBondContact O-N 3.09Å; Y913-D915 PolarHBondContact O-N 2.84Å; Y913-Y916 WeakPolarHBondContact O-CA 3.35Å; Y913-Y916 WeakPolarHBondContact O-CB 3.45Å; Y913-Y916 PolarHBondContact O-N 3.18Å; Y913-D917 PolarHBondContact O-N 2.84Å; Y913-D917 VanDerWaalsContact O-N 3.17Å
914	S	65.1	Low	61.6	Low	57 Å²	57	82.6 Å²	82.6	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-36.4	177.5	70.5	0	0	0	0	113.2	D910 Q911 Y916 D917 N918	D910-S914 VanDerWaalsContact O-CB 3.32Å; D910-S914 WeakPolarHBondContact O-CB 3Å; D910-S914 PolarHBondContact O-N 2.85Å; D910-S914 PolarHBondContact O-OG 3.16Å; Q911-S914 PolarHBondContact O-N 2.72Å; Q911-S914 VanDerWaalsContact O-N 3.16Å; Q911-S914 PolarHBondContact O-OG 3.46Å; S914-Y916 PolarHBondContact O-N 3.08Å; S914-D917 PolarHBondContact O-N 2.77Å; S914-N918 PolarHBondContact O-N 2.87Å; S914-N918 PolarHBondContact O-ND2 3.38Å
915	D	61	Low	61.4	Low	87 Å²	87	78.8 Å²	78.8	47%	0.465	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-27.6	172.8	-79	-17.6	0	0	0	111.9	Q911 Y913	Q911-D915 PolarHBondContact O-N 3.47Å; Q911-D915 VanDerWaalsContact O-N 3.16Å; Y913-D915 PolarHBondContact O-N 2.84Å
916	Y	57.5	Low	61	Low	24 Å²	24	80.7 Å²	80.7	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-74.5	-47.6	177	-172.4	-100.2	0	0	0	113.4	H863 I866 Y913 S914 N918 R919 V925	H863-Y916 AromaticContact CE1-CE1 3.75Å; H863-Y916 AromaticContact ND1-CE1 3.36Å; H863-Y916 WeakPolarHBondContact ND1-CE1 3.04Å; H863-Y916 AromaticContact ND1-CZ 3.33Å; H863-Y916 VanDerWaalsContact ND1-CZ 3.33Å; H863-Y916 PolarHBondContact ND1-OH 2.76Å; I866-Y916 HydrophobicContact CB-CE1 4.24Å; I866-Y916 HydrophobicContact CD1-CD1 4.2Å; I866-Y916 HydrophobicContact CD1-CD2 4.49Å; I866-Y916 HydrophobicContact CD1-CE1 3.36Å; I866-Y916 HydrophobicContact CD1-CE2 3.72Å; I866-Y916 WeakPolarHBondContact CD1-OH 3.23Å; I866-Y916 HydrophobicContact CG1-CE1 4.42Å; I866-Y916 HydrophobicContact CG2-CD1 3.85Å; I866-Y916 HydrophobicContact CG2-CE1 3.77Å; Y913-Y916 WeakPolarHBondContact O-CA 3.35Å; Y913-Y916 WeakPolarHBondContact O-CB 3.45Å; Y913-Y916 PolarHBondContact O-N 3.18Å; S914-Y916 PolarHBondContact O-N 3.08Å; Y916-N918 PolarHBondContact O-N 3.38Å; Y916-N918 VanDerWaalsContact O-N 3.13Å; Y916-R919 PolarHBondContact O-N 3.34Å; Y916-V925 HydrophobicContact CD2-CB 4.43Å; Y916-V925 HydrophobicContact CD2-CG1 3.89Å; Y916-V925 HydrophobicContact CD2-CG2 4.25Å; Y916-V925 HydrophobicContact CG-CG1 4.45Å
917	D	56.6	Low	61.1	Low	99 Å²	99	86.5 Å²	86.5	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-26.4	179.9	-96.1	-15.3	0	0	0	112	Y913 S914 R919	Y913-D917 PolarHBondContact O-N 2.84Å; Y913-D917 VanDerWaalsContact O-N 3.17Å; S914-D917 PolarHBondContact O-N 2.77Å; D917-R919 PolarHBondContact O-N 3.19Å
918	N	56	Low	61.3	Low	118 Å²	118	82 Å²	82	63%	0.631	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	14	174.3	-72.3	-34.8	0	0	0	114.9	S914 Y916 L920	S914-N918 PolarHBondContact O-N 2.87Å; S914-N918 PolarHBondContact O-ND2 3.38Å; Y916-N918 PolarHBondContact O-N 3.38Å; Y916-N918 VanDerWaalsContact O-N 3.13Å; N918-L920 PolarHBondContact O-N 3.4Å; N918-L920 VanDerWaalsContact O-N 3.15Å
919	R	55	Low	61.3	Low	228 Å²	228	79.5 Å²	79.5	86%	0.86	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	19	176.7	-62.7	-175.4	177.1	-179.5	-0.4	115.4	Y916 D917 L921	Y916-R919 PolarHBondContact O-N 3.34Å; D917-R919 PolarHBondContact O-N 3.19Å; R919-L921 VanDerWaalsContact C-N 3.3Å; R919-L921 PolarHBondContact O-N 3.03Å
920	L	50.5	Low	61.4	Low	101 Å²	101	82 Å²	82	53%	0.529	41%	0.411	S	S	.	.			trans	-79.3	82.6	171.3	-83.4	152.9	0	0	0	109.5	N918 N922	N918-L920 PolarHBondContact O-N 3.4Å; N918-L920 VanDerWaalsContact O-N 3.15Å; L920-N922 VanDerWaalsContact C-N 3.26Å; L920-N922 PolarHBondContact O-N 3.14Å
921	L	46.2	Very low	61.6	Low	146 Å²	146	81.4 Å²	81.4	76%	0.764	41%	0.412	S	S	*	.			trans	-73.6	70.6	-177.6	-149.4	122.1	0	0	0	111	R919	R919-L921 VanDerWaalsContact C-N 3.3Å; R919-L921 PolarHBondContact O-N 3.03Å
922	N	53.4	Low	61.7	Low	106 Å²	106	77.1 Å²	77.1	57%	0.567	39%	0.392	S	S	*	.	S	Bend	trans	-130.6	154.7	-174.7	-86.5	-21	0	0	0	113.9	L920 T924 V925	L920-N922 VanDerWaalsContact C-N 3.26Å; L920-N922 PolarHBondContact O-N 3.14Å; N922-T924 WeakPolarHBondContact CB-OG1 3.48Å; N922-T924 PolarHBondContact O-N 2.02Å; N922-V925 PolarHBondContact O-N 3.18Å
923	Q	55.4	Low	61.8	Low	155 Å²	155	77.2 Å²	77.2	72%	0.724	39%	0.392	S	S	*	.	H	α-helix	trans	-47.2	-22.6	171.7	-71.6	175.1	-19.8	0	0	113.4	Q926 H927	Q923-Q926 PolarHBondContact O-N 2.83Å; Q923-H927 PolarHBondContact O-N 2.66Å; Q923-H927 PolarHBondContact O-ND1 3.26Å
924	T	61	Low	62.1	Low	97 Å²	97	79 Å²	79	60%	0.595	40%	0.403	S	S	*	.	H	α-helix	trans	-56.7	-44.9	172.8	32.8	0	0	0	0	113.3	N922 Q926 H927 C928	N922-T924 WeakPolarHBondContact CB-OG1 3.48Å; N922-T924 PolarHBondContact O-N 2.02Å; T924-Q926 VanDerWaalsContact C-N 3.33Å; T924-Q926 PolarHBondContact O-N 3.46Å; T924-H927 PolarHBondContact O-N 3.09Å; T924-C928 WeakPolarHBondContact O-CB 3.32Å; T924-C928 PolarHBondContact O-N 3.38Å
925	V	60.9	Low	62.5	Low	8 Å²	8	80.1 Å²	80.1	5%	0.048	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-38.9	-179.8	177.5	0	0	0	0	110.9	I861 Y916 N922 C928 L929	I861-V925 HydrophobicContact CD1-CB 4.47Å; I861-V925 HydrophobicContact CD1-CG1 4.03Å; Y916-V925 HydrophobicContact CD2-CB 4.43Å; Y916-V925 HydrophobicContact CD2-CG1 3.89Å; Y916-V925 HydrophobicContact CD2-CG2 4.25Å; Y916-V925 HydrophobicContact CG-CG1 4.45Å; N922-V925 PolarHBondContact O-N 3.18Å; V925-C928 WeakPolarHBondContact O-CB 3.32Å; V925-C928 PolarHBondContact O-N 2.79Å; V925-L929 HydrophobicContact CG1-CD1 3.75Å; V925-L929 HydrophobicContact CG1-CG 4.19Å; V925-L929 WeakPolarHBondContact O-CB 3.37Å; V925-L929 WeakPolarHBondContact O-CG 3.46Å; V925-L929 PolarHBondContact O-N 3.22Å
926	Q	60	Low	62.9	Low	45 Å²	45	76.1 Å²	76.1	21%	0.21	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-42.8	175.6	-171.6	-166.4	-6.8	0	0	111.9	G859 I861 Q923 T924 C928 L929 K930	G859-Q926 PolarHBondContact O-NE2 2.91Å; G859-Q926 PolarHBondContact O-OE1 3.11Å; I861-Q926 HydrophobicContact CD1-CB 4.06Å; I861-Q926 HydrophobicContact CG1-CB 4.41Å; Q923-Q926 PolarHBondContact O-N 2.83Å; T924-Q926 VanDerWaalsContact C-N 3.33Å; T924-Q926 PolarHBondContact O-N 3.46Å; Q926-C928 PolarHBondContact O-N 3.14Å; Q926-L929 PolarHBondContact O-N 3.43Å; Q926-K930 WeakPolarHBondContact O-CB 3.4Å; Q926-K930 PolarHBondContact O-N 3Å; Q926-K930 VanDerWaalsContact O-N 3.09Å
927	H	66.8	Low	63.6	Low	144 Å²	144	75.2 Å²	75.2	67%	0.667	38%	0.376	S	S	*	.	H	α-helix	trans	-63.6	-27.6	175.1	-80.9	41.5	0	0	0	112.2	Q923 T924 P931	Q923-H927 PolarHBondContact O-N 2.66Å; Q923-H927 PolarHBondContact O-ND1 3.26Å; T924-H927 PolarHBondContact O-N 3.09Å; H927-P931 WeakPolarHBondContact O-CD 3.36Å; H927-P931 WeakPolarHBondContact O-CG 3.48Å
928	C	71.1	Confident	64.2	Low	47 Å²	47	75.2 Å²	75.2	32%	0.318	37%	0.372	S	S	.	.	H	α-helix	trans	-77.2	-48.5	175.6	-158.5	0	0	0	0	112.2	C912 T924 V925 Q926 P931	C912-C928 HydrophobicContact CB-CB 3.82Å; C912-C928 WeakPolarHBondContact CB-SG 3.46Å; C912-C928 VanDerWaalsContact SG-C 3.51Å; C912-C928 WeakPolarHBondContact SG-CB 3.4Å; C912-C928 CovalentContact SG-SG 2.02Å; C912-C928 PolarHBondContact SG-SG 2.73Å; T924-C928 WeakPolarHBondContact O-CB 3.32Å; T924-C928 PolarHBondContact O-N 3.38Å; V925-C928 WeakPolarHBondContact O-CB 3.32Å; V925-C928 PolarHBondContact O-N 2.79Å; Q926-C928 PolarHBondContact O-N 3.14Å; C928-P931 WeakPolarHBondContact O-CD 3.36Å
929	L	69.5	Low	64.7	Low	5 Å²	5	71.2 Å²	71.2	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-75.8	-35.6	-173.5	-72.9	175	0	0	0	114.3	I861 L869 F909 C912 V925 Q926 I932 F933	I861-L929 HydrophobicContact CD1-CD1 4.12Å; L869-L929 HydrophobicContact CD2-CD1 4.27Å; F909-L929 HydrophobicContact CD2-CD2 3.8Å; F909-L929 HydrophobicContact CE2-CD2 3.64Å; C912-L929 HydrophobicContact CB-CD2 3.71Å; C912-L929 HydrophobicContact CB-CG 4.12Å; V925-L929 HydrophobicContact CG1-CD1 3.75Å; V925-L929 HydrophobicContact CG1-CG 4.19Å; V925-L929 WeakPolarHBondContact O-CB 3.37Å; V925-L929 WeakPolarHBondContact O-CG 3.46Å; V925-L929 PolarHBondContact O-N 3.22Å; Q926-L929 PolarHBondContact O-N 3.43Å; L929-I932 WeakPolarHBondContact O-CB 3.25Å; L929-I932 PolarHBondContact O-N 3.44Å; L929-I932 VanDerWaalsContact O-N 3.14Å; L929-F933 HydrophobicContact CB-CD2 4.4Å; L929-F933 HydrophobicContact CB-CE2 4.05Å; L929-F933 WeakPolarHBondContact O-CD2 3.49Å; L929-F933 PolarHBondContact O-N 3.2Å
930	K	70.9	Confident	65.2	Low	55 Å²	55	60.4 Å²	60.4	24%	0.239	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-47.1	-174.1	179.7	-176.9	171.1	-168.6	0	113.5	Q926 I932 F933 D934 E998	Q926-K930 WeakPolarHBondContact O-CB 3.4Å; Q926-K930 PolarHBondContact O-N 3Å; Q926-K930 VanDerWaalsContact O-N 3.09Å; K930-I932 PolarHBondContact O-N 3.42Å; K930-F933 PolarHBondContact O-N 3.34Å; K930-D934 PolarHBondContact O-N 3.42Å; K930-E998 VanDerWaalsContact CE-CD 3.44Å; K930-E998 WeakPolarHBondContact CE-OE1 3.2Å; K930-E998 VanDerWaalsContact CE-OE2 3.27Å; K930-E998 WeakPolarHBondContact CE-OE2 3.33Å; K930-E998 IonicContact NZ-OE1 2.87Å; K930-E998 PolarHBondContact NZ-OE1 3.48Å; K930-E998 IonicContact NZ-OE2 3.73Å; K930-E998 PolarHBondContact NZ-OE2 2.79Å
931	P	72.4	Confident	65.8	Low	65 Å²	65	58.4 Å²	58.4	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-58.6	-34.5	174.3	-23.8	33.4	0	0	0	113.4	H927 C928 D934 K935	H927-P931 WeakPolarHBondContact O-CD 3.36Å; H927-P931 WeakPolarHBondContact O-CG 3.48Å; C928-P931 WeakPolarHBondContact O-CD 3.36Å; P931-D934 PolarHBondContact O-N 3.24Å; P931-K935 WeakPolarHBondContact O-CG 3.36Å; P931-K935 PolarHBondContact O-N 3.1Å
932	I	71.2	Confident	66.5	Low	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-44.8	178.3	-59.8	173.5	0	0	0	109.9	E908 F909 C912 L929 K930 D934 K935 L936	E908-I932 HydrophobicContact CB-CD1 3.84Å; E908-I932 HydrophobicContact CB-CG1 4.29Å; F909-I932 HydrophobicContact CB-CD1 4.29Å; F909-I932 HydrophobicContact CB-CG2 4.33Å; F909-I932 HydrophobicContact CD2-CG2 4.38Å; C912-I932 HydrophobicContact CB-CD1 4.42Å; C912-I932 WeakPolarHBondContact SG-CD1 3.27Å; L929-I932 WeakPolarHBondContact O-CB 3.25Å; L929-I932 PolarHBondContact O-N 3.44Å; L929-I932 VanDerWaalsContact O-N 3.14Å; K930-I932 PolarHBondContact O-N 3.42Å; I932-D934 VanDerWaalsContact C-N 3.32Å; I932-D934 PolarHBondContact O-N 3.35Å; I932-K935 PolarHBondContact O-N 3.17Å; I932-L936 VanDerWaalsContact O-CB 3.32Å; I932-L936 WeakPolarHBondContact O-CB 3.31Å; I932-L936 PolarHBondContact O-N 3.32Å
933	F	71.6	Confident	66.7	Low	5 Å²	5	49.7 Å²	49.7	2%	0.022	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-42	173.3	-76.4	-63.8	0	0	0	112.7	I856 L869 I873 L929 K930 L936 W937 Y1000	I856-F933 HydrophobicContact CD1-CD2 4.06Å; I856-F933 HydrophobicContact CD1-CE2 4.02Å; L869-F933 HydrophobicContact CD1-CE1 3.65Å; L869-F933 HydrophobicContact CD1-CE2 4.28Å; L869-F933 HydrophobicContact CD1-CZ 3.2Å; L869-F933 HydrophobicContact CD2-CE2 4.19Å; L869-F933 HydrophobicContact CD2-CZ 3.71Å; L869-F933 HydrophobicContact CG-CE1 4.4Å; L869-F933 HydrophobicContact CG-CZ 3.65Å; I873-F933 HydrophobicContact CD1-CD1 4.45Å; I873-F933 HydrophobicContact CD1-CE1 3.48Å; I873-F933 VanDerWaalsContact CD1-CE1 3.48Å; I873-F933 HydrophobicContact CD1-CZ 3.63Å; I873-F933 HydrophobicContact CG1-CE1 3.84Å; I873-F933 HydrophobicContact CG1-CZ 4.45Å; L929-F933 HydrophobicContact CB-CD2 4.4Å; L929-F933 HydrophobicContact CB-CE2 4.05Å; L929-F933 WeakPolarHBondContact O-CD2 3.49Å; L929-F933 PolarHBondContact O-N 3.2Å; K930-F933 PolarHBondContact O-N 3.34Å; F933-L936 PolarHBondContact O-N 3.48Å; F933-W937 HydrophobicContact CD1-CE3 4.49Å; F933-W937 HydrophobicContact CD1-CZ3 4.04Å; F933-W937 WeakPolarHBondContact O-CB 3.47Å; F933-W937 PolarHBondContact O-N 2.91Å; F933-Y1000 HydrophobicContact CB-CD1 4.09Å; F933-Y1000 HydrophobicContact CB-CE1 3.5Å; F933-Y1000 HydrophobicContact CB-CE2 4.03Å; F933-Y1000 VanDerWaalsContact CB-CZ 3.45Å; F933-Y1000 HydrophobicContact CD1-CD1 4.06Å; F933-Y1000 HydrophobicContact CD1-CE1 4.26Å; F933-Y1000 HydrophobicContact CD2-CD2 4.49Å; F933-Y1000 HydrophobicContact CG-CD1 4.05Å; F933-Y1000 HydrophobicContact CG-CD2 4.48Å; F933-Y1000 AromaticContact CG-CE1 3.98Å; F933-Y1000 HydrophobicContact CG-CE1 3.98Å; F933-Y1000 HydrophobicContact CG-CE2 4.4Å; F933-Y1000 HydrophobicContact CG-CG 4.3Å
934	D	72.5	Confident	66.7	Low	62 Å²	62	47.2 Å²	47.2	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-45.2	177.9	-70	-34.7	0	0	0	111.6	K930 P931 I932 W937 H938 K993 Y1000	K930-D934 PolarHBondContact O-N 3.42Å; P931-D934 PolarHBondContact O-N 3.24Å; I932-D934 VanDerWaalsContact C-N 3.32Å; I932-D934 PolarHBondContact O-N 3.35Å; D934-W937 PolarHBondContact O-N 3.49Å; D934-H938 PolarHBondContact O-N 3.28Å; D934-K993 IonicContact OD1-NZ 2.79Å; D934-K993 PolarHBondContact OD1-NZ 3.06Å; D934-Y1000 PolarHBondContact OD1-OH 2.93Å
935	K	72.3	Confident	66.5	Low	80 Å²	80	44 Å²	44	35%	0.348	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-48	174	-74.3	-179.4	-172.9	173.7	0	111.4	M905 E908 P931 I932 W937 H938 Y939	M905-K935 HydrophobicContact CG-CD 4.27Å; M905-K935 HydrophobicContact SD-CB 3.88Å; M905-K935 HydrophobicContact SD-CD 4.49Å; E908-K935 IonicContact OE1-NZ 3.15Å; E908-K935 PolarHBondContact OE1-NZ 2.94Å; E908-K935 VanDerWaalsContact OE1-NZ 3.16Å; E908-K935 IonicContact OE2-NZ 3.16Å; E908-K935 PolarHBondContact OE2-NZ 2.93Å; P931-K935 WeakPolarHBondContact O-CG 3.36Å; P931-K935 PolarHBondContact O-N 3.1Å; I932-K935 PolarHBondContact O-N 3.17Å; K935-W937 VanDerWaalsContact C-N 3.32Å; K935-W937 PolarHBondContact O-N 2.98Å; K935-H938 WeakPolarHBondContact O-CB 3.49Å; K935-H938 PolarHBondContact O-N 3.38Å; K935-H938 VanDerWaalsContact O-N 3.08Å; K935-Y939 VanDerWaalsContact O-CD2 3.23Å; K935-Y939 WeakPolarHBondContact O-CD2 2.99Å; K935-Y939 PolarHBondContact O-N 2.89Å
936	L	70	Confident	66.2	Low	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-42.2	-179.5	-175.6	149.7	0	0	0	111.5	I873 I876 L877 I932 F933 H938 Y939 A940	I873-L936 HydrophobicContact CB-CD1 4.16Å; I873-L936 HydrophobicContact CG1-CD1 4.11Å; I873-L936 HydrophobicContact CG2-CD1 3.57Å; I876-L936 HydrophobicContact CB-CD2 4.2Å; I876-L936 HydrophobicContact CD1-CD2 4.09Å; I876-L936 HydrophobicContact CG2-CD2 3.62Å; I876-L936 HydrophobicContact CG2-CG 4.34Å; L877-L936 HydrophobicContact CD1-CD1 4.35Å; L877-L936 HydrophobicContact CD2-CD1 3.95Å; L877-L936 HydrophobicContact CD2-CG 4.28Å; L877-L936 HydrophobicContact CG-CD1 3.78Å; I932-L936 VanDerWaalsContact O-CB 3.32Å; I932-L936 WeakPolarHBondContact O-CB 3.31Å; I932-L936 PolarHBondContact O-N 3.32Å; F933-L936 PolarHBondContact O-N 3.48Å; L936-H938 VanDerWaalsContact C-N 3.32Å; L936-H938 PolarHBondContact O-N 3.39Å; L936-Y939 PolarHBondContact O-N 3.11Å; L936-A940 WeakPolarHBondContact O-CB 3.32Å; L936-A940 PolarHBondContact O-N 3.29Å
937	W	71.5	Confident	65.7	Low	6 Å²	6	43 Å²	43	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-36.5	174.1	-110.5	-101.4	0	0	0	112.6	F933 D934 K935 A940 Q941 L950 F991 K993 Y1000	F933-W937 HydrophobicContact CD1-CE3 4.49Å; F933-W937 HydrophobicContact CD1-CZ3 4.04Å; F933-W937 WeakPolarHBondContact O-CB 3.47Å; F933-W937 PolarHBondContact O-N 2.91Å; D934-W937 PolarHBondContact O-N 3.49Å; K935-W937 VanDerWaalsContact C-N 3.32Å; K935-W937 PolarHBondContact O-N 2.98Å; W937-A940 PolarHBondContact O-N 3.27Å; W937-Q941 VanDerWaalsContact O-CG 3.25Å; W937-Q941 WeakPolarHBondContact O-CG 3.11Å; W937-Q941 PolarHBondContact O-N 2.98Å; W937-L950 PolarHBondContact NE1-O 2.88Å; W937-F991 HydrophobicContact CH2-CB 3.92Å; W937-F991 HydrophobicContact CZ2-CB 4.03Å; W937-K993 HydrophobicContact CB-CD 4.41Å; W937-K993 HydrophobicContact CD2-CB 4.24Å; W937-K993 HydrophobicContact CD2-CD 4.26Å; W937-K993 HydrophobicContact CG-CB 4.48Å; W937-K993 HydrophobicContact CG-CD 3.9Å; W937-K993 HydrophobicContact CZ2-CB 3.86Å; W937-Y1000 HydrophobicContact CD2-CE1 4.28Å; W937-Y1000 HydrophobicContact CE3-CD1 4.29Å; W937-Y1000 AromaticContact CE3-CE1 3.94Å; W937-Y1000 HydrophobicContact CE3-CE1 3.94Å; W937-Y1000 AromaticContact CH2-CD1 3.98Å; W937-Y1000 HydrophobicContact CH2-CD1 3.98Å; W937-Y1000 HydrophobicContact CH2-CE1 4.38Å; W937-Y1000 AromaticContact CZ3-CD1 3.87Å; W937-Y1000 HydrophobicContact CZ3-CD1 3.87Å; W937-Y1000 AromaticContact CZ3-CE1 4Å; W937-Y1000 HydrophobicContact CZ3-CE1 4Å
938	H	70	Confident	64.8	Low	98 Å²	98	41.9 Å²	41.9	45%	0.454	21%	0.212	S	C	.	.	H	α-helix	trans	-64.2	-44.2	175	-174.7	62.7	0	0	0	111.7	D934 K935 L936 Q941 L942	D934-H938 PolarHBondContact O-N 3.28Å; K935-H938 WeakPolarHBondContact O-CB 3.49Å; K935-H938 PolarHBondContact O-N 3.38Å; K935-H938 VanDerWaalsContact O-N 3.08Å; L936-H938 VanDerWaalsContact C-N 3.32Å; L936-H938 PolarHBondContact O-N 3.39Å; H938-Q941 WeakPolarHBondContact O-CB 3.26Å; H938-Q941 PolarHBondContact O-N 3.41Å; H938-L942 WeakPolarHBondContact O-CG 3.39Å; H938-L942 PolarHBondContact O-N 2.69Å
939	Y	67.2	Low	63.9	Low	35 Å²	35	44.8 Å²	44.8	14%	0.137	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-36.4	174.4	-75.1	-68.5	0	0	0	112.8	F884 F898 N901 M905 K935 L936 Q941 L942 A943	F884-Y939 HydrophobicContact CE2-CD1 4.42Å; F898-Y939 AromaticContact CD2-CD1 3.91Å; F898-Y939 HydrophobicContact CD2-CD1 3.91Å; F898-Y939 AromaticContact CD2-CE1 3.98Å; F898-Y939 HydrophobicContact CD2-CE1 3.98Å; F898-Y939 AromaticContact CE2-CD1 3.93Å; F898-Y939 HydrophobicContact CE2-CD1 3.93Å; F898-Y939 HydrophobicContact CE2-CE1 4.38Å; F898-Y939 HydrophobicContact CE2-CG 4.3Å; N901-Y939 HydrophobicContact CB-CE2 4.48Å; N901-Y939 WeakPolarHBondContact CB-OH 3.35Å; N901-Y939 VanDerWaalsContact CG-OH 3.27Å; N901-Y939 PolarHBondContact ND2-OH 3.1Å; M905-Y939 HydrophobicContact CE-CD2 3.46Å; M905-Y939 VanDerWaalsContact CE-CD2 3.46Å; M905-Y939 HydrophobicContact CE-CE2 3.53Å; M905-Y939 HydrophobicContact CE-CG 4.32Å; M905-Y939 HydrophobicContact SD-CD2 3.63Å; M905-Y939 HydrophobicContact SD-CE2 3.66Å; K935-Y939 VanDerWaalsContact O-CD2 3.23Å; K935-Y939 WeakPolarHBondContact O-CD2 2.99Å; K935-Y939 PolarHBondContact O-N 2.89Å; L936-Y939 PolarHBondContact O-N 3.11Å; Y939-Q941 VanDerWaalsContact C-N 3.28Å; Y939-Q941 PolarHBondContact O-N 3.08Å; Y939-L942 HydrophobicContact CD1-CD1 4.09Å; Y939-L942 HydrophobicContact CE1-CD1 4.4Å; Y939-L942 PolarHBondContact O-N 2.73Å; Y939-A943 WeakPolarHBondContact O-CB 3.32Å; Y939-A943 PolarHBondContact O-N 3.22Å
940	A	64.2	Low	63.1	Low	1 Å²	1	46.7 Å²	46.7	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-37.9	171.9	0	0	0	0	0	111.6	I880 L936 W937 A943 H944 L945 T946	I880-A940 HydrophobicContact CD1-CB 4.06Å; I880-A940 HydrophobicContact CG1-CB 4.49Å; L936-A940 WeakPolarHBondContact O-CB 3.32Å; L936-A940 PolarHBondContact O-N 3.29Å; W937-A940 PolarHBondContact O-N 3.27Å; A940-A943 CarbonylContact O-C 3.31Å; A940-H944 PolarHBondContact O-N 3.46Å; A940-H944 VanDerWaalsContact O-N 3.16Å; A940-L945 HydrophobicContact CB-CB 4.25Å; A940-L945 WeakPolarHBondContact O-CB 3.38Å; A940-L945 PolarHBondContact O-N 2.92Å; A940-T946 HydrophobicContact CB-CG2 3.86Å
941	Q	62.8	Low	62.2	Low	59 Å²	59	45 Å²	45	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-65.2	-44.4	173.1	-71.9	163.7	4.7	0	0	112	W937 H938 Y939 A943 H944 T946 L950	W937-Q941 VanDerWaalsContact O-CG 3.25Å; W937-Q941 WeakPolarHBondContact O-CG 3.11Å; W937-Q941 PolarHBondContact O-N 2.98Å; H938-Q941 WeakPolarHBondContact O-CB 3.26Å; H938-Q941 PolarHBondContact O-N 3.41Å; Y939-Q941 VanDerWaalsContact C-N 3.28Å; Y939-Q941 PolarHBondContact O-N 3.08Å; Q941-A943 VanDerWaalsContact C-N 3.32Å; Q941-A943 PolarHBondContact O-N 2.96Å; Q941-H944 PolarHBondContact O-N 3.39Å; Q941-H944 PolarHBondContact O-ND1 2.97Å; Q941-T946 HydrophobicContact CG-CG2 4.04Å; Q941-T946 VanDerWaalsContact CG-OG1 3.26Å; Q941-T946 WeakPolarHBondContact CG-OG1 3.41Å; Q941-L950 HydrophobicContact CG-CD2 3.96Å
942	L	62.1	Low	61.3	Low	67 Å²	67	42 Å²	42	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-64	-36.9	177.5	-69.7	174.1	0	0	0	112.2	F884 H938 Y939 H944	F884-L942 HydrophobicContact CZ-CB 4Å; H938-L942 WeakPolarHBondContact O-CG 3.39Å; H938-L942 PolarHBondContact O-N 2.69Å; Y939-L942 HydrophobicContact CD1-CD1 4.09Å; Y939-L942 HydrophobicContact CE1-CD1 4.4Å; Y939-L942 PolarHBondContact O-N 2.73Å; L942-H944 PolarHBondContact O-N 3.42Å
943	A	57.8	Low	60.2	Low	1 Å²	1	43.3 Å²	43.3	1%	0.008	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.5	173.7	0	0	0	0	0	113.4	I880 Q883 F884 Y939 A940 Q941 L945	I880-A943 HydrophobicContact CB-CB 4.46Å; I880-A943 HydrophobicContact CG1-CB 4.3Å; I880-A943 HydrophobicContact CG2-CB 4.1Å; Q883-A943 HydrophobicContact CB-CB 4.04Å; F884-A943 HydrophobicContact CE2-CB 4.18Å; F884-A943 HydrophobicContact CZ-CB 4.39Å; Y939-A943 WeakPolarHBondContact O-CB 3.32Å; Y939-A943 PolarHBondContact O-N 3.22Å; A940-A943 CarbonylContact O-C 3.31Å; Q941-A943 VanDerWaalsContact C-N 3.32Å; Q941-A943 PolarHBondContact O-N 2.96Å; A943-L945 HydrophobicContact CB-CD1 4.16Å; A943-L945 HydrophobicContact CB-CG 4.26Å; A943-L945 PolarHBondContact O-N 3.41Å
944	H	55.5	Low	59.2	Low	103 Å²	103	44 Å²	44	48%	0.477	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	55.1	-178.4	-54.2	-52.5	0	0	0	112.7	R668 F679 A940 Q941 L942	R668-H944 PolarHBondContact NH1-O 3.39Å; F679-H944 HydrophobicContact CD2-CB 4.2Å; F679-H944 HydrophobicContact CE2-CB 4.14Å; F679-H944 WeakPolarHBondContact CE2-O 3.43Å; F679-H944 WeakPolarHBondContact CZ-O 3.28Å; A940-H944 PolarHBondContact O-N 3.46Å; A940-H944 VanDerWaalsContact O-N 3.16Å; Q941-H944 PolarHBondContact O-N 3.39Å; Q941-H944 PolarHBondContact O-ND1 2.97Å; L942-H944 PolarHBondContact O-N 3.42Å
945	L	55.5	Low	57.9	Low	29 Å²	29	42.7 Å²	42.7	15%	0.152	21%	0.206	C	C	.	.			trans	-109	-8.3	176.3	-66.7	170.3	0	0	0	113.4	L879 I880 A940 A943	L879-L945 HydrophobicContact CB-CD1 4.29Å; I880-L945 HydrophobicContact CB-CD1 4.5Å; I880-L945 HydrophobicContact CG1-CD1 3.54Å; A940-L945 HydrophobicContact CB-CB 4.25Å; A940-L945 WeakPolarHBondContact O-CB 3.38Å; A940-L945 PolarHBondContact O-N 2.92Å; A943-L945 HydrophobicContact CB-CD1 4.16Å; A943-L945 HydrophobicContact CB-CG 4.26Å; A943-L945 PolarHBondContact O-N 3.41Å
946	T	54.5	Low	56.7	Low	12 Å²	12	39.1 Å²	39.1	7%	0.074	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-111	140.9	-172.8	59.6	0	0	0	0	113.4	F679 A940 Q941 Q951 A952	F679-T946 WeakPolarHBondContact CD1-O 3.44Å; F679-T946 WeakPolarHBondContact CE1-O 3.44Å; A940-T946 HydrophobicContact CB-CG2 3.86Å; Q941-T946 HydrophobicContact CG-CG2 4.04Å; Q941-T946 VanDerWaalsContact CG-OG1 3.26Å; Q941-T946 WeakPolarHBondContact CG-OG1 3.41Å; T946-Q951 CarbonylContact C-O 3.49Å; T946-Q951 WeakPolarHBondContact CA-O 3.45Å; T946-A952 HydrophobicContact CG2-CB 4.2Å
947	D	49.8	Very low	55.5	Low	20 Å²	20	41.6 Å²	41.6	11%	0.107	20%	0.2	C	C	.	.			trans	-74.2	-174.7	175.4	84	-10.1	0	0	0	114.2	N680 K949 L950 Q951 F953	N680-D947 VanDerWaalsContact OD1-CA 3.23Å; N680-D947 WeakPolarHBondContact OD1-CA 2.97Å; D947-K949 PolarHBondContact O-N 3.47Å; D947-K949 VanDerWaalsContact OD1-CA 3.27Å; D947-K949 WeakPolarHBondContact OD1-CA 3.17Å; D947-K949 WeakPolarHBondContact OD1-CB 3.43Å; D947-K949 PolarHBondContact OD1-N 3.33Å; D947-L950 PolarHBondContact O-N 2.05Å; D947-L950 PolarHBondContact OD1-N 2.63Å; D947-Q951 PolarHBondContact N-O 3.13Å; D947-Q951 WeakPolarHBondContact OD1-CA 3.02Å; D947-Q951 WeakPolarHBondContact OD1-CB 3.49Å; D947-Q951 PolarHBondContact OD1-N 3.47Å; D947-F953 HydrophobicContact CB-CD2 4.48Å; D947-F953 HydrophobicContact CB-CE2 4.09Å
948	N	48.8	Very low	54.2	Low	121 Å²	121	41.7 Å²	41.7	65%	0.647	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	-179.3	-108.8	-28.1	0	0	0	111.7	N680 L950	N680-N948 HydrophobicContact CB-CB 3.53Å; N680-N948 WeakPolarHBondContact CB-ND2 2.84Å; N680-N948 VanDerWaalsContact CG-CB 3.5Å; N680-N948 VanDerWaalsContact CG-OD1 3.22Å; N680-N948 PolarHBondContact ND2-OD1 3.32Å; N680-N948 WeakPolarHBondContact OD1-CA 3.26Å; N680-N948 PolarHBondContact OD1-N 3.11Å; N948-L950 VanDerWaalsContact C-N 3.3Å
949	K	51.2	Low	52.8	Low	108 Å²	108	38.2 Å²	38.2	47%	0.47	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	9.6	-178.3	-63.8	-179	179.3	176.8	0	111.3	D947 Q951	D947-K949 PolarHBondContact O-N 3.47Å; D947-K949 VanDerWaalsContact OD1-CA 3.27Å; D947-K949 WeakPolarHBondContact OD1-CA 3.17Å; D947-K949 WeakPolarHBondContact OD1-CB 3.43Å; D947-K949 PolarHBondContact OD1-N 3.33Å; K949-Q951 VanDerWaalsContact C-N 3.25Å; K949-Q951 HydrophobicContact CB-CG 3.98Å; K949-Q951 PolarHBondContact O-N 2.93Å
950	L	53.5	Low	51.4	Low	46 Å²	46	37.3 Å²	37.3	24%	0.241	19%	0.189	C	C	.	.	S	Bend	trans	60.1	32.5	-176.2	-56.3	-180	0	0	0	113.4	W937 Q941 D947 N948 L995	W937-L950 PolarHBondContact NE1-O 2.88Å; Q941-L950 HydrophobicContact CG-CD2 3.96Å; D947-L950 PolarHBondContact O-N 2.05Å; D947-L950 PolarHBondContact OD1-N 2.63Å; N948-L950 VanDerWaalsContact C-N 3.3Å; L950-L995 HydrophobicContact CD1-CD1 4.18Å; L950-L995 HydrophobicContact CD1-CD2 3.74Å; L950-L995 HydrophobicContact CD1-CG 4.41Å
951	Q	51.9	Low	50	Low	18 Å²	18	39.5 Å²	39.5	8%	0.084	20%	0.2	C	C	.	.			trans	-94.5	125.8	172.8	-52.1	-175.7	-10	0	0	108.3	T946 D947 K949 F953 V992	T946-Q951 CarbonylContact C-O 3.49Å; T946-Q951 WeakPolarHBondContact CA-O 3.45Å; D947-Q951 PolarHBondContact N-O 3.13Å; D947-Q951 WeakPolarHBondContact OD1-CA 3.02Å; D947-Q951 WeakPolarHBondContact OD1-CB 3.49Å; D947-Q951 PolarHBondContact OD1-N 3.47Å; K949-Q951 VanDerWaalsContact C-N 3.25Å; K949-Q951 HydrophobicContact CB-CG 3.98Å; K949-Q951 PolarHBondContact O-N 2.93Å; Q951-F953 HydrophobicContact CB-CD2 4.25Å; Q951-F953 HydrophobicContact CB-CE2 3.58Å; Q951-F953 HydrophobicContact CB-CZ 4.09Å; Q951-F953 WeakPolarHBondContact O-CD2 3.39Å; Q951-V992 HydrophobicContact CG-CG1 4.06Å
952	A	53	Low	48.6	Very low	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.7	174.6	0	0	0	0	0	108.7	T946 F991	T946-A952 HydrophobicContact CG2-CB 4.2Å; A952-F991 HydrophobicContact CB-CB 4.04Å; A952-F991 PolarHBondContact N-O 2.53Å; A952-F991 CarbonylContact O-C 3.59Å; A952-F991 WeakPolarHBondContact O-CA 2.86Å; A952-F991 WeakPolarHBondContact O-CB 3.32Å; A952-F991 PolarHBondContact O-N 2.89Å
953	F	48.5	Very low	47.3	Very low	33 Å²	33	38.9 Å²	38.9	15%	0.145	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.6	-179.1	-67.9	-97.9	0	0	0	110.5	W683 D947 Q951 K990	W683-F953 HydrophobicContact CD2-CB 4.31Å; W683-F953 HydrophobicContact CE3-CB 3.54Å; W683-F953 HydrophobicContact CE3-CD2 4.37Å; W683-F953 HydrophobicContact CE3-CG 4Å; W683-F953 HydrophobicContact CH2-CB 3.93Å; W683-F953 HydrophobicContact CZ3-CB 3.3Å; W683-F953 HydrophobicContact CZ3-CG 4.19Å; D947-F953 HydrophobicContact CB-CD2 4.48Å; D947-F953 HydrophobicContact CB-CE2 4.09Å; Q951-F953 HydrophobicContact CB-CD2 4.25Å; Q951-F953 HydrophobicContact CB-CE2 3.58Å; Q951-F953 HydrophobicContact CB-CZ 4.09Å; Q951-F953 WeakPolarHBondContact O-CD2 3.39Å; F953-K990 HydrophobicContact CD1-CB 4.11Å; F953-K990 HydrophobicContact CD1-CD 4.04Å; F953-K990 HydrophobicContact CD1-CG 3.63Å; F953-K990 HydrophobicContact CE1-CB 4.3Å; F953-K990 HydrophobicContact CE1-CD 3.38Å; F953-K990 HydrophobicContact CE1-CG 3.49Å; F953-K990 VanDerWaalsContact CE1-CG 3.49Å; F953-K990 HydrophobicContact CG-CG 4.43Å; F953-K990 HydrophobicContact CZ-CD 3.97Å; F953-K990 HydrophobicContact CZ-CG 4.17Å
954	I	50.8	Low	46.2	Very low	18 Å²	18	40.4 Å²	40.4	9%	0.092	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	101.7	170	-56.9	178.2	0	0	0	106.9	I876 L879 I956 L989 F991	I876-I954 HydrophobicContact CG1-CD1 4.25Å; L879-I954 HydrophobicContact CD1-CD1 3.46Å; L879-I954 VanDerWaalsContact CD1-CD1 3.46Å; L879-I954 HydrophobicContact CD1-CG1 3.95Å; I954-I956 HydrophobicContact CG2-CD1 4.49Å; I954-I956 HydrophobicContact CG2-CG1 4.06Å; I954-I956 PolarHBondContact O-N 3.34Å; I954-L989 CarbonylContact C-O 3.26Å; I954-L989 WeakPolarHBondContact CA-O 3.38Å; I954-L989 HydrophobicContact CB-CB 4.22Å; I954-L989 PolarHBondContact N-O 3.32Å; I954-L989 CarbonylContact O-C 3.58Å; I954-L989 WeakPolarHBondContact O-CA 3.37Å; I954-L989 WeakPolarHBondContact O-CB 3.15Å; I954-L989 PolarHBondContact O-N 3.04Å; I954-F991 HydrophobicContact CD1-CD2 4.11Å; I954-F991 HydrophobicContact CD1-CE2 3.84Å; I954-F991 HydrophobicContact CG1-CD2 4.45Å
955	N	45.6	Very low	45.3	Very low	36 Å²	36	42.1 Å²	42.1	19%	0.193	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.5	175.7	-69.6	-6.5	0	0	0	109.5	W683 Y957 V988	W683-N955 WeakPolarHBondContact CZ3-ND2 3.45Å; N955-Y957 HydrophobicContact CB-CD2 4.28Å; N955-Y957 HydrophobicContact CB-CE2 3.61Å; N955-Y957 PolarHBondContact ND2-OH 3.21Å; N955-V988 HydrophobicContact CB-CG2 4.37Å; N955-V988 WeakPolarHBondContact OD1-CG1 3.33Å
956	I	46.7	Very low	44.2	Very low	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	99.9	174.6	-59.8	-172.5	0	0	0	109.1	I660 I954 V958 V987 L989	I660-I956 HydrophobicContact CD1-CB 4.38Å; I660-I956 HydrophobicContact CD1-CD1 4.28Å; I660-I956 HydrophobicContact CD1-CG1 4.24Å; I660-I956 HydrophobicContact CD1-CG2 3.49Å; I660-I956 VanDerWaalsContact CD1-CG2 3.49Å; I660-I956 HydrophobicContact CG1-CG2 4Å; I660-I956 HydrophobicContact CG2-CG1 4.16Å; I954-I956 HydrophobicContact CG2-CD1 4.49Å; I954-I956 HydrophobicContact CG2-CG1 4.06Å; I954-I956 PolarHBondContact O-N 3.34Å; I956-V958 HydrophobicContact CG2-CG2 3.83Å; I956-V958 PolarHBondContact O-N 3.44Å; I956-V987 CarbonylContact C-O 3.34Å; I956-V987 VanDerWaalsContact C-O 3.25Å; I956-V987 VanDerWaalsContact CA-O 3.24Å; I956-V987 WeakPolarHBondContact CA-O 3.43Å; I956-V987 VanDerWaalsContact CB-O 3.28Å; I956-V987 WeakPolarHBondContact CB-O 3.37Å; I956-V987 PolarHBondContact N-O 3.04Å; I956-V987 CarbonylContact O-C 3.55Å; I956-V987 VanDerWaalsContact O-C 3.31Å; I956-V987 WeakPolarHBondContact O-CA 3.38Å; I956-V987 PolarHBondContact O-N 2.86Å; I956-L989 HydrophobicContact CD1-CD1 3.31Å; I956-L989 HydrophobicContact CD1-CG 4.04Å; I956-L989 HydrophobicContact CG1-CD1 4.15Å; I956-L989 HydrophobicContact CG1-CG 4.47Å
957	Y	45.8	Very low	43.2	Very low	53 Å²	53	50.4 Å²	50.4	21%	0.208	26%	0.258	C	S	.	.			trans	-83.2	101.2	175.3	-64.8	-80.9	0	0	0	109.8	W763 H766 N955	W763-Y957 HydrophobicContact CB-CD1 4.12Å; W763-Y957 HydrophobicContact CB-CE1 3.76Å; H766-Y957 HydrophobicContact CB-CD2 3.9Å; H766-Y957 HydrophobicContact CB-CG 4.32Å; H766-Y957 AromaticContact CD2-CE2 3.94Å; H766-Y957 AromaticContact CG-CD2 3.81Å; N955-Y957 HydrophobicContact CB-CD2 4.28Å; N955-Y957 HydrophobicContact CB-CE2 3.61Å; N955-Y957 PolarHBondContact ND2-OH 3.21Å
958	V	44.3	Very low	42.3	Very low	9 Å²	9	53.2 Å²	53.2	6%	0.055	29%	0.291	C	S	.	.			trans	-96.7	114.4	169.5	-173.2	0	0	0	0	108.2	I956 G960 V987	I956-V958 HydrophobicContact CG2-CG2 3.83Å; I956-V958 PolarHBondContact O-N 3.44Å; V958-G960 PolarHBondContact O-N 2.92Å; V958-V987 HydrophobicContact CG2-CG2 4.42Å
959	P	39.3	Very low	41.6	Very low	24 Å²	24	55.1 Å²	55.1	16%	0.156	30%	0.3	C	S	.	.			trans	-66.3	128.7	177.3	26.2	-32.8	0	0	0	111.8	L774 F785	L774-P959 HydrophobicContact CD1-CG 4.39Å; F785-P959 HydrophobicContact CD1-CB 3.47Å; F785-P959 VanDerWaalsContact CD1-CB 3.47Å; F785-P959 HydrophobicContact CD1-CG 4.15Å; F785-P959 HydrophobicContact CE1-CB 3.01Å; F785-P959 HydrophobicContact CE1-CG 3.22Å; F785-P959 HydrophobicContact CZ-CB 3.9Å; F785-P959 HydrophobicContact CZ-CG 3.6Å
960	G	38.1	Very low	40.6	Very low	16 Å²	16	56.5 Å²	56.5	17%	0.165	31%	0.312	C	S	.	.			trans	177.5	163.9	175.7	0	0	0	0	0	114.2	V958 L985	V958-G960 PolarHBondContact O-N 2.92Å; G960-L985 PolarHBondContact O-N 3.37Å
961	I	34.9	Very low	39.7	Very low	47 Å²	47	59 Å²	59	24%	0.241	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.3	177.4	-56.1	175.2	0	0	0	108.5	N640 V784 K982	N640-I961 PolarHBondContact ND2-O 3.05Å; V784-I961 HydrophobicContact CG1-CD1 3.9Å; V784-I961 HydrophobicContact CG1-CG1 4.43Å; I961-K982 HydrophobicContact CG2-CB 4.07Å; I961-K982 HydrophobicContact CG2-CD 4.28Å; I961-K982 HydrophobicContact CG2-CG 4.4Å
962	M	33.2	Very low	38.6	Very low	39 Å²	39	66.7 Å²	66.7	19%	0.192	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.6	170.1	-157.5	171.4	89.4	0	0	109.8	L983 L985	M962-L983 PolarHBondContact N-O 3.45Å; M962-L983 PolarHBondContact O-N 3.27Å; M962-L985 HydrophobicContact CB-CD1 4.37Å; M962-L985 HydrophobicContact SD-CD1 4.21Å
963	N	35.2	Very low	37.4	Very low	75 Å²	75	71.4 Å²	71.4	40%	0.401	39%	0.393	S	S	.	.			trans	-110.7	98.7	176.3	-155.1	12.3	0	0	0	107.5	K965	N963-K965 PolarHBondContact O-N 3.08Å
964	P	35.2	Very low	36.8	Very low	32 Å²	32	78.3 Å²	78.3	21%	0.208	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-69	2.5	-168.1	25.8	-34.2	0	0	0	114.7	D966 L971	P964-D966 VanDerWaalsContact C-N 3.28Å; P964-D966 PolarHBondContact O-N 3.42Å; P964-L971 HydrophobicContact CB-CD1 4.09Å; P964-L971 HydrophobicContact CG-CD1 4.31Å
965	K	34.6	Very low	35.9	Very low	140 Å²	140	80 Å²	80	61%	0.609	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21.4	-179.7	-79.9	-167.1	174.7	-172.9	0	114.3	N963	N963-K965 PolarHBondContact O-N 3.08Å
966	D	34.1	Very low	35.5	Very low	129 Å²	129	85 Å²	85	69%	0.69	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-89.4	-11.8	-176.7	-69.3	-29.9	0	0	0	113.5	P964 G968	P964-D966 VanDerWaalsContact C-N 3.28Å; P964-D966 PolarHBondContact O-N 3.42Å; D966-G968 PolarHBondContact O-N 3.4Å; D966-G968 VanDerWaalsContact O-N 3.17Å
967	D	32.2	Very low	34.8	Very low	86 Å²	86	93.1 Å²	93.1	46%	0.46	52%	0.516	S	S	.	.	S	Bend	trans	-88	84.6	170	-68.7	-25.1	0	0	0	109.1	I969 L970	D967-I969 PolarHBondContact O-N 2.96Å; D967-L970 PolarHBondContact O-N 2.92Å
968	G	32.3	Very low	34	Very low	78 Å²	78	94.1 Å²	94.1	80%	0.804	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	19.4	-173.2	0	0	0	0	0	117.3	D966	D966-G968 PolarHBondContact O-N 3.4Å; D966-G968 VanDerWaalsContact O-N 3.17Å
969	I	33.1	Very low	33.3	Very low	162 Å²	162	104.4 Å²	104.4	83%	0.831	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-15	-179	-59.7	-179.3	0	0	0	113.2	D967	D967-I969 PolarHBondContact O-N 2.96Å
970	L	31.3	Very low	32.9	Very low	137 Å²	137	106.1 Å²	106.1	72%	0.717	58%	0.58	S	S	*	*	S	Bend	trans	-121.3	10.6	-171.6	-75.6	172	0	0	0	117.7	D967	D967-L970 PolarHBondContact O-N 2.92Å
971	L	33.4	Very low	32.7	Very low	98 Å²	98	111.4 Å²	111.4	51%	0.513	60%	0.603	S	S	.	*			trans	-136.6	86.6	-179.6	-66.8	169.8	0	0	0	112.5	P964 P973	P964-L971 HydrophobicContact CB-CD1 4.09Å; P964-L971 HydrophobicContact CG-CD1 4.31Å; L971-P973 WeakPolarHBondContact O-CD 3.37Å
972	M	28	Very low	32.5	Very low	179 Å²	179	113.6 Å²	113.6	88%	0.882	61%	0.611	S	S	*	*			trans	-75.9	111.8	143.9	-87.3	-171.5	84.7	0	0	106.9	L974	M972-L974 PolarHBondContact O-N 2.9Å
973	P	29.7	Very low	32.5	Very low	103 Å²	103	112.8 Å²	112.8	67%	0.669	61%	0.608	S	S	*	*			trans	-70	104.4	-178.9	27.9	-31	0	0	0	108.9	L971 S975	L971-P973 WeakPolarHBondContact O-CD 3.37Å; P973-S975 PolarHBondContact O-N 3.18Å; P973-S975 VanDerWaalsContact O-N 3.09Å
974	L	35.2	Very low	32.6	Very low	178 Å²	178	114.2 Å²	114.2	93%	0.932	61%	0.611	S	S	*	*	S	Bend	trans	-69.3	1.5	179.7	-84.3	163.4	0	0	0	114.2	M972	M972-L974 PolarHBondContact O-N 2.9Å
975	S	32.3	Very low	32.8	Very low	53 Å²	53	113.8 Å²	113.8	37%	0.371	61%	0.607	S	S	.	*			trans	-157.6	141.7	158.9	82	0	0	0	0	112.4	P973 Q977 S978	P973-S975 PolarHBondContact O-N 3.18Å; P973-S975 VanDerWaalsContact O-N 3.09Å; S975-Q977 PolarHBondContact O-N 3.03Å; S975-S978 PolarHBondContact O-N 3.39Å; S975-S978 PolarHBondContact O-OG 3.09Å; S975-S978 PolarHBondContact OG-N 3.19Å
976	P	35.8	Very low	33.3	Very low	143 Å²	143	107.5 Å²	107.5	93%	0.929	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-10.8	179.1	-18.7	30.4	0	0	0	114.6
977	Q	32.9	Very low	33.9	Very low	174 Å²	174	102 Å²	102	81%	0.813	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-4	-177	-65.4	-174	-7.1	0	0	113.7	S975 R979	S975-Q977 PolarHBondContact O-N 3.03Å; Q977-R979 PolarHBondContact O-N 3.44Å; Q977-R979 VanDerWaalsContact O-N 3.08Å
978	S	29.6	Very low	34.5	Very low	74 Å²	74	98.4 Å²	98.4	52%	0.517	54%	0.535	S	S	.	.			trans	-75.2	103.9	177.5	53.8	0	0	0	0	110.4	S975	S975-S978 PolarHBondContact O-N 3.39Å; S975-S978 PolarHBondContact O-OG 3.09Å; S975-S978 PolarHBondContact OG-N 3.19Å
979	R	29.8	Very low	35.4	Very low	226 Å²	226	94.9 Å²	94.9	85%	0.853	50%	0.497	S	S	*	.			trans	-59.4	138.1	172.6	-65	179.4	-177.8	179.3	0.9	108.7	Q977 I981	Q977-R979 PolarHBondContact O-N 3.44Å; Q977-R979 VanDerWaalsContact O-N 3.08Å; R979-I981 PolarHBondContact O-N 3.1Å
980	P	30.1	Very low	36.4	Very low	60 Å²	60	88.8 Å²	88.8	39%	0.39	47%	0.465	S	S	.	.			trans	-62.7	113.6	176.8	25	-31.1	0	0	0	109	K982	P980-K982 PolarHBondContact O-N 3.22Å; P980-K982 VanDerWaalsContact O-N 3.14Å
981	I	32.7	Very low	37.7	Very low	127 Å²	127	82.5 Å²	82.5	65%	0.651	43%	0.432	S	S	*	.			trans	-68.2	107.7	173.4	-57.2	171.5	0	0	0	105.6	R979 L983	R979-I981 PolarHBondContact O-N 3.1Å; I981-L983 HydrophobicContact CG2-CD2 4.24Å
982	K	32.2	Very low	39	Very low	92 Å²	92	78 Å²	78	40%	0.4	41%	0.408	S	S	.	.			trans	-76	130.4	177.6	-70.9	-178.5	180	179.1	0	108.6	I961 P980	I961-K982 HydrophobicContact CG2-CB 4.07Å; I961-K982 HydrophobicContact CG2-CD 4.28Å; I961-K982 HydrophobicContact CG2-CG 4.4Å; P980-K982 PolarHBondContact O-N 3.22Å; P980-K982 VanDerWaalsContact O-N 3.14Å
983	L	32.7	Very low	40.6	Very low	23 Å²	23	71 Å²	71	12%	0.12	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.8	-170.9	-69.9	169	0	0	0	109.3	M962 I981 S1008	M962-L983 PolarHBondContact N-O 3.45Å; M962-L983 PolarHBondContact O-N 3.27Å; I981-L983 HydrophobicContact CG2-CD2 4.24Å; L983-S1008 VanDerWaalsContact CB-CB 3.45Å; L983-S1008 WeakPolarHBondContact CD1-OG 2.96Å; L983-S1008 WeakPolarHBondContact CD2-OG 3.38Å
984	H	37.7	Very low	42.2	Very low	104 Å²	104	69.1 Å²	69.1	48%	0.481	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.6	176.4	-63.8	-78	0	0	0	109.6	W786	W786-H984 AromaticContact CZ3-CE1 3.81Å
985	L	38.8	Very low	43.1	Very low	23 Å²	23	65.8 Å²	65.8	12%	0.12	34%	0.338	C	S	.	.			trans	-90	124.6	-176.9	-156.8	94.2	0	0	0	110.7	I643 G960 M962 V987 Y1006	I643-L985 HydrophobicContact CD1-CD2 4.09Å; G960-L985 PolarHBondContact O-N 3.37Å; M962-L985 HydrophobicContact CB-CD1 4.37Å; M962-L985 HydrophobicContact SD-CD1 4.21Å; L985-V987 HydrophobicContact CD2-CG2 4Å; L985-V987 HydrophobicContact CG-CG2 4.48Å; L985-Y1006 HydrophobicContact CD1-CD1 4Å; L985-Y1006 HydrophobicContact CG-CD1 4.32Å
986	G	44.3	Very low	44.3	Very low	8 Å²	8	69 Å²	69	8%	0.082	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.2	159.3	0	0	0	0	0	108.6	L1005 Y1006 I1007	G986-L1005 VanDerWaalsContact O-O 3.13Å; G986-Y1006 WeakPolarHBondContact O-CA 3.48Å; G986-I1007 PolarHBondContact O-N 3.34Å; G986-I1007 VanDerWaalsContact O-N 3.17Å
987	V	47.1	Very low	45.3	Very low	15 Å²	15	66.1 Å²	66.1	9%	0.091	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	100.3	-178.5	-176.1	0	0	0	0	109	I956 V958 L985 L1004 Y1006	I956-V987 CarbonylContact C-O 3.34Å; I956-V987 VanDerWaalsContact C-O 3.25Å; I956-V987 VanDerWaalsContact CA-O 3.24Å; I956-V987 WeakPolarHBondContact CA-O 3.43Å; I956-V987 VanDerWaalsContact CB-O 3.28Å; I956-V987 WeakPolarHBondContact CB-O 3.37Å; I956-V987 PolarHBondContact N-O 3.04Å; I956-V987 CarbonylContact O-C 3.55Å; I956-V987 VanDerWaalsContact O-C 3.31Å; I956-V987 WeakPolarHBondContact O-CA 3.38Å; I956-V987 PolarHBondContact O-N 2.86Å; V958-V987 HydrophobicContact CG2-CG2 4.42Å; L985-V987 HydrophobicContact CD2-CG2 4Å; L985-V987 HydrophobicContact CG-CG2 4.48Å; V987-L1004 HydrophobicContact CG1-CD2 3.63Å; V987-L1004 HydrophobicContact CG1-CG 4.16Å; V987-Y1006 HydrophobicContact CG1-CE1 4.26Å; V987-Y1006 HydrophobicContact CG2-CD1 3.78Å; V987-Y1006 HydrophobicContact CG2-CE1 3.59Å
988	V	44.7	Very low	46.6	Very low	10 Å²	10	62.3 Å²	62.3	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.7	174.6	171.8	0	0	0	0	109.1	N955 S1003 L1004 L1005 I1007	N955-V988 HydrophobicContact CB-CG2 4.37Å; N955-V988 WeakPolarHBondContact OD1-CG1 3.33Å; V988-S1003 VanDerWaalsContact O-O 3.1Å; V988-L1004 WeakPolarHBondContact O-CA 3.32Å; V988-L1005 HydrophobicContact CB-CB 4.16Å; V988-L1005 PolarHBondContact N-O 3.05Å; V988-L1005 PolarHBondContact O-N 2.81Å; V988-I1007 HydrophobicContact CG2-CD1 3.97Å
989	L	51.2	Low	48.3	Very low	4 Å²	4	59.1 Å²	59.1	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.3	168	-69.1	175.8	0	0	0	109	L631 I954 I956 L1002 L1004	L631-L989 HydrophobicContact CD1-CD1 3.78Å; L631-L989 HydrophobicContact CD2-CD1 4.02Å; L631-L989 HydrophobicContact CD2-CD2 4.23Å; L631-L989 HydrophobicContact CG-CD1 4.34Å; I954-L989 CarbonylContact C-O 3.26Å; I954-L989 WeakPolarHBondContact CA-O 3.38Å; I954-L989 HydrophobicContact CB-CB 4.22Å; I954-L989 PolarHBondContact N-O 3.32Å; I954-L989 CarbonylContact O-C 3.58Å; I954-L989 WeakPolarHBondContact O-CA 3.37Å; I954-L989 WeakPolarHBondContact O-CB 3.15Å; I954-L989 PolarHBondContact O-N 3.04Å; I956-L989 HydrophobicContact CD1-CD1 3.31Å; I956-L989 HydrophobicContact CD1-CG 4.04Å; I956-L989 HydrophobicContact CG1-CD1 4.15Å; I956-L989 HydrophobicContact CG1-CG 4.47Å; L989-L1002 HydrophobicContact CB-CD1 4.04Å; L989-L1002 HydrophobicContact CD2-CD1 3.72Å; L989-L1002 HydrophobicContact CD2-CD2 4.28Å; L989-L1002 HydrophobicContact CD2-CG 4.35Å; L989-L1002 HydrophobicContact CG-CD1 4.44Å; L989-L1004 HydrophobicContact CD2-CD1 3.3Å; L989-L1004 HydrophobicContact CD2-CD2 4.28Å; L989-L1004 HydrophobicContact CD2-CG 3.51Å
990	K	54.2	Low	49.9	Very low	33 Å²	33	48.5 Å²	48.5	14%	0.143	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.1	179.8	-177	-177.2	-177.1	165.3	0	110	F953 V992 L1002 S1003	F953-K990 HydrophobicContact CD1-CB 4.11Å; F953-K990 HydrophobicContact CD1-CD 4.04Å; F953-K990 HydrophobicContact CD1-CG 3.63Å; F953-K990 HydrophobicContact CE1-CB 4.3Å; F953-K990 HydrophobicContact CE1-CD 3.38Å; F953-K990 HydrophobicContact CE1-CG 3.49Å; F953-K990 VanDerWaalsContact CE1-CG 3.49Å; F953-K990 HydrophobicContact CG-CG 4.43Å; F953-K990 HydrophobicContact CZ-CD 3.97Å; F953-K990 HydrophobicContact CZ-CG 4.17Å; K990-V992 HydrophobicContact CD-CG2 3.66Å; K990-V992 VanDerWaalsContact CE-CG2 3.41Å; K990-V992 HydrophobicContact CG-CG2 3.6Å; K990-L1002 CarbonylContact O-C 3.35Å; K990-L1002 WeakPolarHBondContact O-CA 3.47Å; K990-S1003 PolarHBondContact N-O 3.4Å; K990-S1003 PolarHBondContact O-N 3.3Å
991	F	59.8	Low	51.5	Low	5 Å²	5	45.7 Å²	45.7	2%	0.022	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.2	171.5	-72.7	-74.8	0	0	0	110.2	F855 I876 W937 A952 I954 S1001 L1002	F855-F991 HydrophobicContact CE2-CD1 4.46Å; F855-F991 HydrophobicContact CE2-CE1 4.2Å; I876-F991 HydrophobicContact CD1-CB 4.26Å; I876-F991 HydrophobicContact CD1-CD1 3.87Å; I876-F991 HydrophobicContact CD1-CD2 3.71Å; I876-F991 HydrophobicContact CD1-CE1 4.14Å; I876-F991 HydrophobicContact CD1-CE2 3.96Å; I876-F991 HydrophobicContact CD1-CG 3.65Å; I876-F991 HydrophobicContact CD1-CZ 4.15Å; I876-F991 HydrophobicContact CG1-CD2 4.05Å; I876-F991 HydrophobicContact CG1-CE2 4.05Å; I876-F991 HydrophobicContact CG1-CG 4.47Å; I876-F991 HydrophobicContact CG1-CZ 4.5Å; W937-F991 HydrophobicContact CH2-CB 3.92Å; W937-F991 HydrophobicContact CZ2-CB 4.03Å; A952-F991 HydrophobicContact CB-CB 4.04Å; A952-F991 PolarHBondContact N-O 2.53Å; A952-F991 CarbonylContact O-C 3.59Å; A952-F991 WeakPolarHBondContact O-CA 2.86Å; A952-F991 WeakPolarHBondContact O-CB 3.32Å; A952-F991 PolarHBondContact O-N 2.89Å; I954-F991 HydrophobicContact CD1-CD2 4.11Å; I954-F991 HydrophobicContact CD1-CE2 3.84Å; I954-F991 HydrophobicContact CG1-CD2 4.45Å; F991-S1001 WeakPolarHBondContact CA-O 3.31Å; F991-L1002 HydrophobicContact CD1-CB 4.28Å; F991-L1002 HydrophobicContact CD1-CD1 4.01Å; F991-L1002 HydrophobicContact CD2-CD1 4.26Å; F991-L1002 HydrophobicContact CE1-CB 3.9Å; F991-L1002 HydrophobicContact CE1-CD1 3.49Å; F991-L1002 VanDerWaalsContact CE1-CD1 3.49Å; F991-L1002 HydrophobicContact CE1-CD2 4.43Å; F991-L1002 HydrophobicContact CE1-CG 4.12Å; F991-L1002 HydrophobicContact CE2-CD1 3.8Å; F991-L1002 HydrophobicContact CG-CD1 4.36Å; F991-L1002 HydrophobicContact CZ-CD1 3.41Å; F991-L1002 VanDerWaalsContact CZ-CD1 3.41Å; F991-L1002 HydrophobicContact CZ-CD2 4.46Å; F991-L1002 HydrophobicContact CZ-CG 4.35Å
992	V	59.8	Low	52.7	Low	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.5	-175.9	-168.4	0	0	0	0	110.2	Q951 K990 Y1000 S1001	Q951-V992 HydrophobicContact CG-CG1 4.06Å; K990-V992 HydrophobicContact CD-CG2 3.66Å; K990-V992 VanDerWaalsContact CE-CG2 3.41Å; K990-V992 HydrophobicContact CG-CG2 3.6Å; V992-Y1000 WeakPolarHBondContact O-CA 3.36Å; V992-S1001 WeakPolarHBondContact CB-OG 3.38Å; V992-S1001 PolarHBondContact N-O 3.19Å; V992-S1001 PolarHBondContact O-N 3.47Å
993	K	62.6	Low	53.6	Low	32 Å²	32	35.6 Å²	35.6	14%	0.139	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.1	161.2	179.2	176.8	176.7	167	0	108.7	D934 W937 L995 N999 Y1000	D934-K993 IonicContact OD1-NZ 2.79Å; D934-K993 PolarHBondContact OD1-NZ 3.06Å; W937-K993 HydrophobicContact CB-CD 4.41Å; W937-K993 HydrophobicContact CD2-CB 4.24Å; W937-K993 HydrophobicContact CD2-CD 4.26Å; W937-K993 HydrophobicContact CG-CB 4.48Å; W937-K993 HydrophobicContact CG-CD 3.9Å; W937-K993 HydrophobicContact CZ2-CB 3.86Å; K993-L995 PolarHBondContact O-N 3.37Å; K993-N999 WeakPolarHBondContact CA-O 3.24Å; K993-Y1000 HydrophobicContact CB-CD1 4.29Å; K993-Y1000 HydrophobicContact CB-CE1 3.98Å; K993-Y1000 HydrophobicContact CD-CE1 3.74Å; K993-Y1000 WeakPolarHBondContact CE-OH 3.45Å; K993-Y1000 HydrophobicContact CG-CD1 4.36Å; K993-Y1000 HydrophobicContact CG-CE1 3.7Å; K993-Y1000 PolarHBondContact NZ-OH 3.45Å
994	H	61.7	Low	54.4	Low	64 Å²	64	34.8 Å²	34.8	30%	0.296	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	111.5	173.6	-76.2	-84.1	0	0	0	109.8	T996 E998 N999	H994-T996 VanDerWaalsContact C-N 3.28Å; H994-T996 PolarHBondContact O-N 2.79Å; H994-E998 WeakPolarHBondContact O-CA 3.25Å; H994-E998 PolarHBondContact O-N 3.09Å; H994-N999 HydrophobicContact CB-CB 4.02Å; H994-N999 PolarHBondContact N-O 3.05Å
995	L	56	Low	54.5	Low	109 Å²	109	31.5 Å²	31.5	57%	0.571	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.1	-176.4	-73.2	163.3	0	0	0	114.4	L950 K993	L950-L995 HydrophobicContact CD1-CD1 4.18Å; L950-L995 HydrophobicContact CD1-CD2 3.74Å; L950-L995 HydrophobicContact CD1-CG 4.41Å; K993-L995 PolarHBondContact O-N 3.37Å
996	T	56.6	Low	54.7	Low	120 Å²	120	31.8 Å²	31.8	74%	0.736	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-35.8	-176.2	56.2	0	0	0	0	113.2	H994	H994-T996 VanDerWaalsContact C-N 3.28Å; H994-T996 PolarHBondContact O-N 2.79Å
997	D	56.4	Low	54.5	Low	83 Å²	83	33.4 Å²	33.4	44%	0.444	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-2.6	-168.3	-57	-3.8	0	0	0	112.1	N999	D997-N999 VanDerWaalsContact CB-ND2 3.33Å; D997-N999 WeakPolarHBondContact CB-ND2 3.35Å; D997-N999 PolarHBondContact O-N 2.86Å; D997-N999 PolarHBondContact O-OD1 3.48Å; D997-N999 VanDerWaalsContact O-OD1 3.08Å
998	E	61.3	Low	54.1	Low	94 Å²	94	33.6 Å²	33.6	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30	-173.9	-54.3	-178.7	142.2	0	0	113.4	K930 H994 Y1000	K930-E998 VanDerWaalsContact CE-CD 3.44Å; K930-E998 WeakPolarHBondContact CE-OE1 3.2Å; K930-E998 VanDerWaalsContact CE-OE2 3.27Å; K930-E998 WeakPolarHBondContact CE-OE2 3.33Å; K930-E998 IonicContact NZ-OE1 2.87Å; K930-E998 PolarHBondContact NZ-OE1 3.48Å; K930-E998 IonicContact NZ-OE2 3.73Å; K930-E998 PolarHBondContact NZ-OE2 2.79Å; H994-E998 WeakPolarHBondContact O-CA 3.25Å; H994-E998 PolarHBondContact O-N 3.09Å; E998-Y1000 WeakPolarHBondContact O-CD2 3.5Å
999	N	63.9	Low	53.7	Low	7 Å²	7	35.4 Å²	35.4	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.2	-179.6	-61.3	-21.9	0	0	0	111.2	F854 I856 K857 N858 K993 H994 D997	F854-N999 HydrophobicContact CD1-CB 4.46Å; F854-N999 HydrophobicContact CE1-CB 4.49Å; I856-N999 CarbonylContact O-C 3.32Å; I856-N999 WeakPolarHBondContact O-CA 3.42Å; I856-N999 WeakPolarHBondContact O-CB 3.35Å; K857-N999 VanDerWaalsContact CA-OD1 3.31Å; K857-N999 WeakPolarHBondContact CA-OD1 3.43Å; N858-N999 PolarHBondContact N-OD1 2.84Å; N858-N999 PolarHBondContact OD1-ND2 2.66Å; K993-N999 WeakPolarHBondContact CA-O 3.24Å; H994-N999 HydrophobicContact CB-CB 4.02Å; H994-N999 PolarHBondContact N-O 3.05Å; D997-N999 VanDerWaalsContact CB-ND2 3.33Å; D997-N999 WeakPolarHBondContact CB-ND2 3.35Å; D997-N999 PolarHBondContact O-N 2.86Å; D997-N999 PolarHBondContact O-OD1 3.48Å; D997-N999 VanDerWaalsContact O-OD1 3.08Å
1000	Y	65.1	Low	52.9	Low	3 Å²	3	39.4 Å²	39.4	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.4	175.1	-68.5	-87.2	0	0	0	108.9	F855 I856 F933 D934 W937 V992 K993 E998	F855-Y1000 PolarHBondContact N-O 3.1Å; I856-Y1000 HydrophobicContact CB-CD2 4.18Å; I856-Y1000 HydrophobicContact CD1-CD2 3.86Å; I856-Y1000 HydrophobicContact CG1-CD2 4.43Å; I856-Y1000 PolarHBondContact N-O 3.44Å; I856-Y1000 VanDerWaalsContact N-O 3.09Å; I856-Y1000 PolarHBondContact O-N 3.1Å; F933-Y1000 HydrophobicContact CB-CD1 4.09Å; F933-Y1000 HydrophobicContact CB-CE1 3.5Å; F933-Y1000 HydrophobicContact CB-CE2 4.03Å; F933-Y1000 VanDerWaalsContact CB-CZ 3.45Å; F933-Y1000 HydrophobicContact CD1-CD1 4.06Å; F933-Y1000 HydrophobicContact CD1-CE1 4.26Å; F933-Y1000 HydrophobicContact CD2-CD2 4.49Å; F933-Y1000 HydrophobicContact CG-CD1 4.05Å; F933-Y1000 HydrophobicContact CG-CD2 4.48Å; F933-Y1000 AromaticContact CG-CE1 3.98Å; F933-Y1000 HydrophobicContact CG-CE1 3.98Å; F933-Y1000 HydrophobicContact CG-CE2 4.4Å; F933-Y1000 HydrophobicContact CG-CG 4.3Å; D934-Y1000 PolarHBondContact OD1-OH 2.93Å; W937-Y1000 HydrophobicContact CD2-CE1 4.28Å; W937-Y1000 HydrophobicContact CE3-CD1 4.29Å; W937-Y1000 AromaticContact CE3-CE1 3.94Å; W937-Y1000 HydrophobicContact CE3-CE1 3.94Å; W937-Y1000 AromaticContact CH2-CD1 3.98Å; W937-Y1000 HydrophobicContact CH2-CD1 3.98Å; W937-Y1000 HydrophobicContact CH2-CE1 4.38Å; W937-Y1000 AromaticContact CZ3-CD1 3.87Å; W937-Y1000 HydrophobicContact CZ3-CD1 3.87Å; W937-Y1000 AromaticContact CZ3-CE1 4Å; W937-Y1000 HydrophobicContact CZ3-CE1 4Å; V992-Y1000 WeakPolarHBondContact O-CA 3.36Å; K993-Y1000 HydrophobicContact CB-CD1 4.29Å; K993-Y1000 HydrophobicContact CB-CE1 3.98Å; K993-Y1000 HydrophobicContact CD-CE1 3.74Å; K993-Y1000 WeakPolarHBondContact CE-OH 3.45Å; K993-Y1000 HydrophobicContact CG-CD1 4.36Å; K993-Y1000 HydrophobicContact CG-CE1 3.7Å; K993-Y1000 PolarHBondContact NZ-OH 3.45Å; E998-Y1000 WeakPolarHBondContact O-CD2 3.5Å
1001	S	62.1	Low	52	Low	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.8	176.8	63	0	0	0	0	112.2	E852 K853 F991 V992	E852-S1001 PolarHBondContact OE1-OG 3.39Å; K853-S1001 WeakPolarHBondContact O-CA 3.36Å; F991-S1001 WeakPolarHBondContact CA-O 3.31Å; V992-S1001 WeakPolarHBondContact CB-OG 3.38Å; V992-S1001 PolarHBondContact N-O 3.19Å; V992-S1001 PolarHBondContact O-N 3.47Å
1002	L	58.2	Low	50.9	Low	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.7	159.1	170.9	67.5	0	0	0	107.4	L631 K853 F855 L989 K990 F991 L1004	L631-L1002 HydrophobicContact CD2-CD2 4.25Å; K853-L1002 WeakPolarHBondContact CA-O 3.48Å; K853-L1002 WeakPolarHBondContact CB-O 3.5Å; K853-L1002 PolarHBondContact N-O 3.07Å; K853-L1002 PolarHBondContact O-N 2.95Å; F855-L1002 HydrophobicContact CE1-CB 4.45Å; F855-L1002 HydrophobicContact CE2-CB 3.43Å; F855-L1002 VanDerWaalsContact CE2-CB 3.43Å; F855-L1002 HydrophobicContact CZ-CB 3.36Å; F855-L1002 HydrophobicContact CZ-CD2 4.19Å; F855-L1002 HydrophobicContact CZ-CG 4.41Å; L989-L1002 HydrophobicContact CB-CD1 4.04Å; L989-L1002 HydrophobicContact CD2-CD1 3.72Å; L989-L1002 HydrophobicContact CD2-CD2 4.28Å; L989-L1002 HydrophobicContact CD2-CG 4.35Å; L989-L1002 HydrophobicContact CG-CD1 4.44Å; K990-L1002 CarbonylContact O-C 3.35Å; K990-L1002 WeakPolarHBondContact O-CA 3.47Å; F991-L1002 HydrophobicContact CD1-CB 4.28Å; F991-L1002 HydrophobicContact CD1-CD1 4.01Å; F991-L1002 HydrophobicContact CD2-CD1 4.26Å; F991-L1002 HydrophobicContact CE1-CB 3.9Å; F991-L1002 HydrophobicContact CE1-CD1 3.49Å; F991-L1002 VanDerWaalsContact CE1-CD1 3.49Å; F991-L1002 HydrophobicContact CE1-CD2 4.43Å; F991-L1002 HydrophobicContact CE1-CG 4.12Å; F991-L1002 HydrophobicContact CE2-CD1 3.8Å; F991-L1002 HydrophobicContact CG-CD1 4.36Å; F991-L1002 HydrophobicContact CZ-CD1 3.41Å; F991-L1002 VanDerWaalsContact CZ-CD1 3.41Å; F991-L1002 HydrophobicContact CZ-CD2 4.46Å; F991-L1002 HydrophobicContact CZ-CG 4.35Å; L1002-L1004 HydrophobicContact CD2-CD1 4.1Å; L1002-L1004 HydrophobicContact CG-CD1 4.31Å
1003	S	51.5	Low	49.6	Very low	1 Å²	1	46.6 Å²	46.6	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.1	170	-14.7	0	0	0	0	110	W850 D851 E852 V988 K990	W850-S1003 VanDerWaalsContact NE1-CB 3.28Å; D851-S1003 WeakPolarHBondContact O-CA 3.41Å; E852-S1003 PolarHBondContact OE1-OG 3.41Å; V988-S1003 VanDerWaalsContact O-O 3.1Å; K990-S1003 PolarHBondContact N-O 3.4Å; K990-S1003 PolarHBondContact O-N 3.3Å
1004	L	48.7	Very low	48.2	Very low	7 Å²	7	49.1 Å²	49.1	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.8	160.3	-98	95.3	0	0	0	107.9	D851 V987 V988 L989 L1002 Y1006	D851-L1004 PolarHBondContact N-O 3.27Å; D851-L1004 PolarHBondContact O-N 3Å; V987-L1004 HydrophobicContact CG1-CD2 3.63Å; V987-L1004 HydrophobicContact CG1-CG 4.16Å; V988-L1004 WeakPolarHBondContact O-CA 3.32Å; L989-L1004 HydrophobicContact CD2-CD1 3.3Å; L989-L1004 HydrophobicContact CD2-CD2 4.28Å; L989-L1004 HydrophobicContact CD2-CG 3.51Å; L1002-L1004 HydrophobicContact CD2-CD1 4.1Å; L1002-L1004 HydrophobicContact CG-CD1 4.31Å; L1004-Y1006 HydrophobicContact CB-CE2 4.11Å; L1004-Y1006 HydrophobicContact CD2-CE1 4.44Å; L1004-Y1006 HydrophobicContact CD2-CE2 3.94Å; L1004-Y1006 WeakPolarHBondContact CD2-OH 3.23Å
1005	L	41.3	Very low	47	Very low	35 Å²	35	50.1 Å²	50.1	18%	0.183	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.1	173.8	-178.6	79.7	0	0	0	108.3	V848 W850 G986 V988 I1007	V848-L1005 HydrophobicContact CG1-CD1 3.32Å; V848-L1005 HydrophobicContact CG1-CG 4.36Å; W850-L1005 HydrophobicContact CB-CD1 3.94Å; W850-L1005 VanDerWaalsContact CD1-CD1 3.48Å; W850-L1005 HydrophobicContact CG-CD1 4Å; G986-L1005 VanDerWaalsContact O-O 3.13Å; V988-L1005 HydrophobicContact CB-CB 4.16Å; V988-L1005 PolarHBondContact N-O 3.05Å; V988-L1005 PolarHBondContact O-N 2.81Å; L1005-I1007 HydrophobicContact CD2-CD1 3.62Å; L1005-I1007 HydrophobicContact CD2-CG1 3.41Å; L1005-I1007 VanDerWaalsContact CD2-CG1 3.41Å; L1005-I1007 HydrophobicContact CG-CD1 4.33Å; L1005-I1007 HydrophobicContact CG-CG1 3.59Å; L1005-I1007 PolarHBondContact O-N 3.37Å
1006	Y	43.3	Very low	46	Very low	29 Å²	29	47.4 Å²	47.4	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	98.8	167.2	-60.7	-86.3	0	0	0	107.5	G635 L637 V849 L985 G986 V987 L1004	G635-Y1006 WeakPolarHBondContact CA-OH 3.22Å; L637-Y1006 HydrophobicContact CD1-CE1 4.06Å; V849-Y1006 HydrophobicContact CB-CD2 3.98Å; V849-Y1006 HydrophobicContact CB-CG 4.43Å; V849-Y1006 HydrophobicContact CG1-CD2 4.03Å; V849-Y1006 PolarHBondContact N-O 3.39Å; V849-Y1006 WeakPolarHBondContact O-CD2 3.42Å; V849-Y1006 PolarHBondContact O-N 3.46Å; L985-Y1006 HydrophobicContact CD1-CD1 4Å; L985-Y1006 HydrophobicContact CG-CD1 4.32Å; G986-Y1006 WeakPolarHBondContact O-CA 3.48Å; V987-Y1006 HydrophobicContact CG1-CE1 4.26Å; V987-Y1006 HydrophobicContact CG2-CD1 3.78Å; V987-Y1006 HydrophobicContact CG2-CE1 3.59Å; L1004-Y1006 HydrophobicContact CB-CE2 4.11Å; L1004-Y1006 HydrophobicContact CD2-CE1 4.44Å; L1004-Y1006 HydrophobicContact CD2-CE2 3.94Å; L1004-Y1006 WeakPolarHBondContact CD2-OH 3.23Å
1007	I	38.4	Very low	45	Very low	42 Å²	42	44.6 Å²	44.6	22%	0.215	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.7	-178.1	-56.7	176.3	0	0	0	108.9	G986 V988 L1005	G986-I1007 PolarHBondContact O-N 3.34Å; G986-I1007 VanDerWaalsContact O-N 3.17Å; V988-I1007 HydrophobicContact CG2-CD1 3.97Å; L1005-I1007 HydrophobicContact CD2-CD1 3.62Å; L1005-I1007 HydrophobicContact CD2-CG1 3.41Å; L1005-I1007 VanDerWaalsContact CD2-CG1 3.41Å; L1005-I1007 HydrophobicContact CG-CD1 4.33Å; L1005-I1007 HydrophobicContact CG-CG1 3.59Å; L1005-I1007 PolarHBondContact O-N 3.37Å
1008	S	38.8	Very low	44.2	Very low	18 Å²	18	43.9 Å²	43.9	13%	0.126	23%	0.234	C	C	.	.			trans	-144.9	76.4	158.8	63.4	0	0	0	0	110.8	G847 L983	G847-S1008 CarbonylContact O-C 3.5Å; G847-S1008 VanDerWaalsContact O-C 3.32Å; G847-S1008 WeakPolarHBondContact O-CA 3.45Å; G847-S1008 PolarHBondContact O-N 3.49Å; G847-S1008 VanDerWaalsContact O-N 3.12Å; G847-S1008 PolarHBondContact O-OG 2.9Å; L983-S1008 VanDerWaalsContact CB-CB 3.45Å; L983-S1008 WeakPolarHBondContact CD1-OG 2.96Å; L983-S1008 WeakPolarHBondContact CD2-OG 3.38Å
1009	N	36.4	Very low	43	Very low	49 Å²	49	43.1 Å²	43.1	26%	0.262	23%	0.23	S	C	.	.			trans	-111.1	115.5	-173.4	-163.9	-2.8	0	0	0	113.2	Q1011	N1009-Q1011 VanDerWaalsContact C-N 3.25Å; N1009-Q1011 PolarHBondContact O-N 3.29Å; N1009-Q1011 WeakPolarHBondContact OD1-CB 2.93Å; N1009-Q1011 PolarHBondContact OD1-N 2.96Å
1010	P	35.7	Very low	41.6	Very low	87 Å²	87	43.9 Å²	43.9	57%	0.565	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	169.1	25.2	-31.4	0	0	0	114	H1012 H1013	P1010-H1012 VanDerWaalsContact C-N 3.32Å; P1010-H1012 PolarHBondContact O-N 3.48Å; P1010-H1013 WeakPolarHBondContact O-CA 3.29Å; P1010-H1013 WeakPolarHBondContact O-CB 3.33Å; P1010-H1013 PolarHBondContact O-N 3.23Å
1011	Q	35.5	Very low	40.4	Very low	50 Å²	50	47.9 Å²	47.9	23%	0.234	26%	0.256	C	S	.	.	H	α-helix	trans	-74.7	-25	179.1	-156.1	161.5	-18.6	0	0	113.2	W844 N1009 H1013 T1014 E1015	W844-Q1011 HydrophobicContact CH2-CG 4.41Å; W844-Q1011 VanDerWaalsContact CZ2-NE2 3.3Å; N1009-Q1011 VanDerWaalsContact C-N 3.25Å; N1009-Q1011 PolarHBondContact O-N 3.29Å; N1009-Q1011 WeakPolarHBondContact OD1-CB 2.93Å; N1009-Q1011 PolarHBondContact OD1-N 2.96Å; Q1011-H1013 PolarHBondContact O-N 2.97Å; Q1011-T1014 WeakPolarHBondContact CA-OG1 3.2Å; Q1011-T1014 PolarHBondContact O-N 2.83Å; Q1011-T1014 VanDerWaalsContact O-N 3.09Å; Q1011-T1014 PolarHBondContact O-OG1 3.49Å; Q1011-E1015 PolarHBondContact O-N 3.29Å
1012	H	35.2	Very low	39.4	Very low	70 Å²	70	50.6 Å²	50.6	32%	0.324	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-29.3	166.9	-148.3	-55.9	0	0	0	110.5	P1010 L1016	P1010-H1012 VanDerWaalsContact C-N 3.32Å; P1010-H1012 PolarHBondContact O-N 3.48Å; H1012-L1016 WeakPolarHBondContact O-CB 3.33Å; H1012-L1016 PolarHBondContact O-N 3.02Å
1013	H	32	Very low	38.4	Very low	72 Å²	72	51.9 Å²	51.9	33%	0.333	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-42.4	175.2	-157.9	-82.4	0	0	0	112	P1010 Q1011 I1017 S1081	P1010-H1013 WeakPolarHBondContact O-CA 3.29Å; P1010-H1013 WeakPolarHBondContact O-CB 3.33Å; P1010-H1013 PolarHBondContact O-N 3.23Å; Q1011-H1013 PolarHBondContact O-N 2.97Å; H1013-I1017 WeakPolarHBondContact ND1-CD1 3.37Å; H1013-I1017 WeakPolarHBondContact O-CB 3.37Å; H1013-I1017 WeakPolarHBondContact O-CD1 3.23Å; H1013-I1017 WeakPolarHBondContact O-CG1 3Å; H1013-I1017 PolarHBondContact O-N 3.21Å; H1013-S1081 WeakPolarHBondContact CE1-CB 3.46Å; H1013-S1081 WeakPolarHBondContact NE2-CB 3.41Å
1014	T	34.2	Very low	37.7	Very low	85 Å²	85	54.5 Å²	54.5	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-72.2	-38.7	178.1	37.7	0	0	0	0	113.1	Q1011 I1017 S1018	Q1011-T1014 WeakPolarHBondContact CA-OG1 3.2Å; Q1011-T1014 PolarHBondContact O-N 2.83Å; Q1011-T1014 VanDerWaalsContact O-N 3.09Å; Q1011-T1014 PolarHBondContact O-OG1 3.49Å; T1014-I1017 PolarHBondContact O-N 3.44Å; T1014-S1018 PolarHBondContact O-N 3.02Å
1015	E	37	Very low	37.4	Very low	85 Å²	85	61.3 Å²	61.3	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-68.7	-44.2	176.3	-74.8	170.9	-165.8	0	0	110.4	Q1011 I1017 S1018 E1019	Q1011-E1015 PolarHBondContact O-N 3.29Å; E1015-I1017 VanDerWaalsContact C-N 3.34Å; E1015-I1017 PolarHBondContact O-N 2.96Å; E1015-S1018 PolarHBondContact O-N 2.9Å; E1015-S1018 VanDerWaalsContact O-N 3.12Å; E1015-S1018 PolarHBondContact O-OG 2.66Å; E1015-E1019 WeakPolarHBondContact O-CB 3.43Å; E1015-E1019 WeakPolarHBondContact O-CG 3.23Å; E1015-E1019 PolarHBondContact O-N 3.27Å
1016	L	34.3	Very low	37.3	Very low	53 Å²	53	63.8 Å²	63.8	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-44.1	172	-166	94.5	0	0	0	111.1	H1012 S1018 E1019 L1020	H1012-L1016 WeakPolarHBondContact O-CB 3.33Å; H1012-L1016 PolarHBondContact O-N 3.02Å; L1016-S1018 PolarHBondContact O-N 3.33Å; L1016-E1019 PolarHBondContact O-N 3.06Å; L1016-L1020 HydrophobicContact CD2-CD1 3.76Å; L1016-L1020 HydrophobicContact CG-CD1 3.78Å; L1016-L1020 HydrophobicContact CG-CG 4.17Å; L1016-L1020 WeakPolarHBondContact O-CB 3.28Å; L1016-L1020 WeakPolarHBondContact O-CD1 2.75Å; L1016-L1020 WeakPolarHBondContact O-CG 3.2Å; L1016-L1020 PolarHBondContact O-N 2.94Å
1017	I	35.8	Very low	37.1	Very low	61 Å²	61	65.3 Å²	65.3	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-58	-47.8	174.3	-72.6	162.5	0	0	0	111	H1013 T1014 E1015 E1019 L1020 D1021	H1013-I1017 WeakPolarHBondContact ND1-CD1 3.37Å; H1013-I1017 WeakPolarHBondContact O-CB 3.37Å; H1013-I1017 WeakPolarHBondContact O-CD1 3.23Å; H1013-I1017 WeakPolarHBondContact O-CG1 3Å; H1013-I1017 PolarHBondContact O-N 3.21Å; T1014-I1017 PolarHBondContact O-N 3.44Å; E1015-I1017 VanDerWaalsContact C-N 3.34Å; E1015-I1017 PolarHBondContact O-N 2.96Å; I1017-E1019 VanDerWaalsContact C-N 3.33Å; I1017-E1019 PolarHBondContact O-N 3.09Å; I1017-L1020 PolarHBondContact O-N 3.03Å; I1017-D1021 WeakPolarHBondContact O-CB 3Å; I1017-D1021 VanDerWaalsContact O-CG 3.29Å; I1017-D1021 PolarHBondContact O-N 3.09Å
1018	S	39	Very low	37.1	Very low	68 Å²	68	66.8 Å²	66.8	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-35.6	-179	80.5	0	0	0	0	113.1	T1014 E1015 L1016 S1022	T1014-S1018 PolarHBondContact O-N 3.02Å; E1015-S1018 PolarHBondContact O-N 2.9Å; E1015-S1018 VanDerWaalsContact O-N 3.12Å; E1015-S1018 PolarHBondContact O-OG 2.66Å; L1016-S1018 PolarHBondContact O-N 3.33Å; S1018-S1022 PolarHBondContact O-N 3.23Å
1019	E	36.8	Very low	37.3	Very low	78 Å²	78	70.3 Å²	70.3	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-74.5	-38.2	177.5	-73.6	-166.8	161.5	0	0	111.5	E1015 L1016 I1017 S1022 A1023	E1015-E1019 WeakPolarHBondContact O-CB 3.43Å; E1015-E1019 WeakPolarHBondContact O-CG 3.23Å; E1015-E1019 PolarHBondContact O-N 3.27Å; L1016-E1019 PolarHBondContact O-N 3.06Å; I1017-E1019 VanDerWaalsContact C-N 3.33Å; I1017-E1019 PolarHBondContact O-N 3.09Å; E1019-S1022 WeakPolarHBondContact O-CB 3.23Å; E1019-S1022 PolarHBondContact O-N 3.45Å; E1019-A1023 WeakPolarHBondContact O-CB 3.44Å; E1019-A1023 PolarHBondContact O-N 2.99Å
1020	L	33.9	Very low	37.5	Very low	22 Å²	22	73.9 Å²	73.9	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-62.2	-42.5	171.3	-74.8	169.3	0	0	0	111	L1016 I1017 S1022 A1023 F1024 Y1073	L1016-L1020 HydrophobicContact CD2-CD1 3.76Å; L1016-L1020 HydrophobicContact CG-CD1 3.78Å; L1016-L1020 HydrophobicContact CG-CG 4.17Å; L1016-L1020 WeakPolarHBondContact O-CB 3.28Å; L1016-L1020 WeakPolarHBondContact O-CD1 2.75Å; L1016-L1020 WeakPolarHBondContact O-CG 3.2Å; L1016-L1020 PolarHBondContact O-N 2.94Å; I1017-L1020 PolarHBondContact O-N 3.03Å; L1020-S1022 VanDerWaalsContact C-N 3.31Å; L1020-S1022 PolarHBondContact O-N 3.23Å; L1020-A1023 PolarHBondContact O-N 3.32Å; L1020-F1024 WeakPolarHBondContact O-CB 3.35Å; L1020-F1024 PolarHBondContact O-N 3.39Å; L1020-Y1073 HydrophobicContact CD2-CE1 3.33Å; L1020-Y1073 WeakPolarHBondContact CD2-OH 3.29Å
1021	D	40.5	Very low	37.5	Very low	88 Å²	88	71 Å²	71	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-36	175	-75.1	-16.1	0	0	0	111.5	I1017 F1024 K1025	I1017-D1021 WeakPolarHBondContact O-CB 3Å; I1017-D1021 VanDerWaalsContact O-CG 3.29Å; I1017-D1021 PolarHBondContact O-N 3.09Å; D1021-F1024 WeakPolarHBondContact O-CB 3.18Å; D1021-K1025 PolarHBondContact O-N 3.32Å
1022	S	41.4	Very low	37.8	Very low	58 Å²	58	74.7 Å²	74.7	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-69.6	-41.3	173.4	-173.5	0	0	0	0	112.5	S1018 E1019 L1020 F1024 K1025 N1026	S1018-S1022 PolarHBondContact O-N 3.23Å; E1019-S1022 WeakPolarHBondContact O-CB 3.23Å; E1019-S1022 PolarHBondContact O-N 3.45Å; L1020-S1022 VanDerWaalsContact C-N 3.31Å; L1020-S1022 PolarHBondContact O-N 3.23Å; S1022-F1024 VanDerWaalsContact C-N 3.33Å; S1022-K1025 PolarHBondContact O-N 3.03Å; S1022-N1026 PolarHBondContact O-N 3.31Å; S1022-N1026 VanDerWaalsContact O-N 3.13Å
1023	A	36.5	Very low	38.3	Very low	32 Å²	32	77 Å²	77	26%	0.264	40%	0.399	S	S	.	.	H	α-helix	trans	-65.2	-40	175.3	0	0	0	0	0	110.9	E1019 L1020 K1025 N1026 Y1027	E1019-A1023 WeakPolarHBondContact O-CB 3.44Å; E1019-A1023 PolarHBondContact O-N 2.99Å; L1020-A1023 PolarHBondContact O-N 3.32Å; A1023-K1025 PolarHBondContact O-N 3.42Å; A1023-N1026 PolarHBondContact O-N 3Å; A1023-Y1027 WeakPolarHBondContact O-CB 3.32Å; A1023-Y1027 PolarHBondContact O-N 2.83Å
1024	F	37.2	Very low	38.7	Very low	55 Å²	55	75.8 Å²	75.8	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-56.1	-47.7	172.6	-177.2	-103.7	0	0	0	111.5	L1020 D1021 S1022 N1026 Y1027 L1028 W1070 W1074 M1092	L1020-F1024 WeakPolarHBondContact O-CB 3.35Å; L1020-F1024 PolarHBondContact O-N 3.39Å; D1021-F1024 WeakPolarHBondContact O-CB 3.18Å; S1022-F1024 VanDerWaalsContact C-N 3.33Å; F1024-N1026 PolarHBondContact O-N 2.87Å; F1024-Y1027 PolarHBondContact O-N 3.35Å; F1024-L1028 HydrophobicContact CD1-CD1 3.78Å; F1024-L1028 HydrophobicContact CD1-CG 4.48Å; F1024-L1028 HydrophobicContact CE1-CD1 3.22Å; F1024-L1028 HydrophobicContact CE1-CG 4.1Å; F1024-L1028 HydrophobicContact CE2-CD1 4.31Å; F1024-L1028 HydrophobicContact CE2-CG 4.39Å; F1024-L1028 HydrophobicContact CZ-CD1 3.51Å; F1024-L1028 HydrophobicContact CZ-CD2 4.45Å; F1024-L1028 HydrophobicContact CZ-CG 4.03Å; F1024-L1028 WeakPolarHBondContact O-CB 2.99Å; F1024-L1028 PolarHBondContact O-N 2.91Å; F1024-W1070 HydrophobicContact CD2-CH2 4.39Å; F1024-W1070 AromaticContact CD2-CZ2 3.72Å; F1024-W1070 HydrophobicContact CD2-CZ2 3.72Å; F1024-W1070 AromaticContact CE2-CH2 3.99Å; F1024-W1070 HydrophobicContact CE2-CH2 3.99Å; F1024-W1070 AromaticContact CE2-CZ2 3.69Å; F1024-W1070 HydrophobicContact CE2-CZ2 3.69Å; F1024-W1074 HydrophobicContact CD2-CZ2 4.22Å; F1024-W1074 HydrophobicContact CE2-CZ2 4.37Å; F1024-M1092 HydrophobicContact CE2-CE 3.78Å; F1024-M1092 HydrophobicContact CE2-SD 3.67Å; F1024-M1092 HydrophobicContact CZ-CE 3.61Å; F1024-M1092 HydrophobicContact CZ-SD 4.02Å
1025	K	41.8	Very low	39	Very low	150 Å²	150	74.7 Å²	74.7	65%	0.652	39%	0.391	S	S	*	.	H	α-helix	trans	-62.5	-43.6	178.1	-167.6	176.6	-177.6	177.7	0	112.6	D1021 S1022 A1023 L1029	D1021-K1025 PolarHBondContact O-N 3.32Å; S1022-K1025 PolarHBondContact O-N 3.03Å; A1023-K1025 PolarHBondContact O-N 3.42Å; K1025-L1029 PolarHBondContact O-N 2.95Å
1026	N	39.6	Very low	39.5	Very low	88 Å²	88	74.4 Å²	74.4	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-39.5	178.4	-75.8	-13.9	0	0	0	112	S1022 A1023 F1024 L1029 H1030	S1022-N1026 PolarHBondContact O-N 3.31Å; S1022-N1026 VanDerWaalsContact O-N 3.13Å; A1023-N1026 PolarHBondContact O-N 3Å; F1024-N1026 PolarHBondContact O-N 2.87Å; N1026-L1029 WeakPolarHBondContact O-CB 3.08Å; N1026-L1029 PolarHBondContact O-N 3.17Å; N1026-H1030 PolarHBondContact O-CD2 3.37Å; N1026-H1030 PolarHBondContact O-N 3.43Å
1027	Y	37.9	Very low	40.1	Very low	60 Å²	60	77.2 Å²	77.2	24%	0.235	41%	0.411	C	S	.	.	H	α-helix	trans	-72.7	-40	-180	-171.6	-90.8	0	0	0	112.3	A1023 F1024 L1029 H1030 G1031 S1066 W1070 M1096	A1023-Y1027 WeakPolarHBondContact O-CB 3.32Å; A1023-Y1027 PolarHBondContact O-N 2.83Å; F1024-Y1027 PolarHBondContact O-N 3.35Å; Y1027-L1029 PolarHBondContact O-N 2.96Å; Y1027-H1030 PolarHBondContact O-N 3.49Å; Y1027-H1030 VanDerWaalsContact O-N 3.15Å; Y1027-G1031 PolarHBondContact O-N 3.19Å; Y1027-S1066 WeakPolarHBondContact CE2-OG 3.4Å; Y1027-S1066 VanDerWaalsContact OH-CB 3.29Å; Y1027-S1066 WeakPolarHBondContact OH-CB 3.34Å; Y1027-S1066 PolarHBondContact OH-O 3.13Å; Y1027-S1066 PolarHBondContact OH-OG 3.03Å; Y1027-W1070 AromaticContact CD1-CD1 3.93Å; Y1027-W1070 AromaticContact CD1-NE1 3.73Å; Y1027-W1070 AromaticContact CE1-CD1 3.81Å; Y1027-W1070 HydrophobicContact CE1-CG 4.32Å; Y1027-M1096 HydrophobicContact CD1-CE 4.44Å; Y1027-M1096 HydrophobicContact CE1-CE 3.76Å; Y1027-M1096 HydrophobicContact CE1-SD 4.38Å
1028	L	38.9	Very low	40.3	Very low	73 Å²	73	76.4 Å²	76.4	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-55.3	-40.9	169.5	-84.3	176.3	0	0	0	111.1	F1024 G1031 E1032	F1024-L1028 HydrophobicContact CD1-CD1 3.78Å; F1024-L1028 HydrophobicContact CD1-CG 4.48Å; F1024-L1028 HydrophobicContact CE1-CD1 3.22Å; F1024-L1028 HydrophobicContact CE1-CG 4.1Å; F1024-L1028 HydrophobicContact CE2-CD1 4.31Å; F1024-L1028 HydrophobicContact CE2-CG 4.39Å; F1024-L1028 HydrophobicContact CZ-CD1 3.51Å; F1024-L1028 HydrophobicContact CZ-CD2 4.45Å; F1024-L1028 HydrophobicContact CZ-CG 4.03Å; F1024-L1028 WeakPolarHBondContact O-CB 2.99Å; F1024-L1028 PolarHBondContact O-N 2.91Å; L1028-G1031 PolarHBondContact O-N 3.35Å; L1028-E1032 VanDerWaalsContact O-CB 3.29Å; L1028-E1032 WeakPolarHBondContact O-CB 3.47Å; L1028-E1032 WeakPolarHBondContact O-CG 3.26Å; L1028-E1032 PolarHBondContact O-N 3.46Å
1029	L	43.6	Very low	40.4	Very low	93 Å²	93	77.7 Å²	77.7	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-39.1	177.8	-147.5	107.1	0	0	0	112.6	K1025 N1026 Y1027 K1033	K1025-L1029 PolarHBondContact O-N 2.95Å; N1026-L1029 WeakPolarHBondContact O-CB 3.08Å; N1026-L1029 PolarHBondContact O-N 3.17Å; Y1027-L1029 PolarHBondContact O-N 2.96Å; L1029-K1033 WeakPolarHBondContact O-CB 3.14Å; L1029-K1033 PolarHBondContact O-N 3.28Å
1030	H	40	Very low	41	Very low	123 Å²	123	77 Å²	77	57%	0.569	42%	0.415	S	S	*	.	H	α-helix	trans	-74	-38.5	176	-81.5	-67.8	0	0	0	112.7	N1026 Y1027 K1033 A1034	N1026-H1030 PolarHBondContact O-CD2 3.37Å; N1026-H1030 PolarHBondContact O-N 3.43Å; Y1027-H1030 PolarHBondContact O-N 3.49Å; Y1027-H1030 VanDerWaalsContact O-N 3.15Å; H1030-K1033 WeakPolarHBondContact O-CB 3.42Å; H1030-K1033 PolarHBondContact O-N 2.94Å; H1030-A1034 WeakPolarHBondContact O-CB 3.39Å; H1030-A1034 PolarHBondContact O-N 2.67Å
1031	G	37.2	Very low	41.5	Very low	27 Å²	27	78.6 Å²	78.6	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-48.7	173.3	0	0	0	0	0	110.9	Y1027 L1028 K1033 A1034 L1035	Y1027-G1031 PolarHBondContact O-N 3.19Å; L1028-G1031 PolarHBondContact O-N 3.35Å; G1031-K1033 VanDerWaalsContact C-N 3.31Å; G1031-K1033 PolarHBondContact O-N 3.09Å; G1031-A1034 PolarHBondContact O-N 3.43Å; G1031-L1035 VanDerWaalsContact O-CB 3.25Å; G1031-L1035 WeakPolarHBondContact O-CB 3.43Å; G1031-L1035 PolarHBondContact O-N 2.89Å
1032	E	41.6	Very low	41.3	Very low	127 Å²	127	77 Å²	77	59%	0.593	42%	0.424	S	S	*	.	H	α-helix	trans	-56.8	-42.6	172	-82.8	-175.1	154.4	0	0	111.6	L1028 L1035 T1036	L1028-E1032 VanDerWaalsContact O-CB 3.29Å; L1028-E1032 WeakPolarHBondContact O-CB 3.47Å; L1028-E1032 WeakPolarHBondContact O-CG 3.26Å; L1028-E1032 PolarHBondContact O-N 3.46Å; E1032-L1035 PolarHBondContact O-N 3.49Å; E1032-T1036 VanDerWaalsContact O-CB 3.3Å; E1032-T1036 WeakPolarHBondContact O-CB 3.31Å; E1032-T1036 WeakPolarHBondContact O-CG2 3.34Å; E1032-T1036 PolarHBondContact O-N 3.47Å; E1032-T1036 PolarHBondContact O-OG1 3.06Å
1033	K	44.9	Very low	41	Very low	120 Å²	120	78.7 Å²	78.7	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-49.5	173.4	-89.4	-176.4	175.1	-179.6	0	112.7	L1029 H1030 G1031 L1035 T1036 D1037	L1029-K1033 WeakPolarHBondContact O-CB 3.14Å; L1029-K1033 PolarHBondContact O-N 3.28Å; H1030-K1033 WeakPolarHBondContact O-CB 3.42Å; H1030-K1033 PolarHBondContact O-N 2.94Å; G1031-K1033 VanDerWaalsContact C-N 3.31Å; G1031-K1033 PolarHBondContact O-N 3.09Å; K1033-L1035 VanDerWaalsContact C-N 3.3Å; K1033-L1035 PolarHBondContact O-N 3.36Å; K1033-T1036 VanDerWaalsContact CA-OG1 3.27Å; K1033-T1036 WeakPolarHBondContact CA-OG1 3.49Å; K1033-T1036 PolarHBondContact O-N 3.4Å; K1033-T1036 PolarHBondContact O-OG1 3.13Å; K1033-D1037 WeakPolarHBondContact O-CB 3.34Å; K1033-D1037 VanDerWaalsContact O-CG 3.25Å; K1033-D1037 PolarHBondContact O-N 3.2Å
1034	A	40.7	Very low	41.2	Very low	46 Å²	46	83.9 Å²	83.9	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-39.8	179	0	0	0	0	0	111.7	H1030 G1031 D1037 I1038	H1030-A1034 WeakPolarHBondContact O-CB 3.39Å; H1030-A1034 PolarHBondContact O-N 2.67Å; G1031-A1034 PolarHBondContact O-N 3.43Å; A1034-D1037 PolarHBondContact O-N 3.28Å; A1034-I1038 WeakPolarHBondContact O-CB 3.22Å; A1034-I1038 WeakPolarHBondContact O-CD1 3.49Å; A1034-I1038 WeakPolarHBondContact O-CG1 3.38Å; A1034-I1038 PolarHBondContact O-N 3.49Å
1035	L	40.1	Very low	41.1	Very low	61 Å²	61	90.2 Å²	90.2	32%	0.319	49%	0.485	S	S	.	.	H	α-helix	trans	-72.6	-36.9	179.7	-140.4	146.6	0	0	0	111.4	G1031 E1032 K1033 I1038 L1039 A1099	G1031-L1035 VanDerWaalsContact O-CB 3.25Å; G1031-L1035 WeakPolarHBondContact O-CB 3.43Å; G1031-L1035 PolarHBondContact O-N 2.89Å; E1032-L1035 PolarHBondContact O-N 3.49Å; K1033-L1035 VanDerWaalsContact C-N 3.3Å; K1033-L1035 PolarHBondContact O-N 3.36Å; L1035-I1038 PolarHBondContact O-N 2.9Å; L1035-L1039 HydrophobicContact CD2-CD1 3.61Å; L1035-L1039 HydrophobicContact CD2-CG 4.05Å; L1035-L1039 VanDerWaalsContact O-CB 3.25Å; L1035-L1039 WeakPolarHBondContact O-CB 3.49Å; L1035-L1039 VanDerWaalsContact O-CG 3.23Å; L1035-L1039 WeakPolarHBondContact O-CG 3.37Å; L1035-L1039 PolarHBondContact O-N 3.18Å; L1035-A1099 HydrophobicContact CD1-CB 3.68Å; L1035-A1099 HydrophobicContact CD2-CB 4.22Å; L1035-A1099 HydrophobicContact CG-CB 4.23Å
1036	T	47.2	Very low	40.6	Very low	80 Å²	80	91.3 Å²	91.3	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-68	-36.1	171.4	45.1	0	0	0	0	111.9	E1032 K1033 L1039 A1040	E1032-T1036 VanDerWaalsContact O-CB 3.3Å; E1032-T1036 WeakPolarHBondContact O-CB 3.31Å; E1032-T1036 WeakPolarHBondContact O-CG2 3.34Å; E1032-T1036 PolarHBondContact O-N 3.47Å; E1032-T1036 PolarHBondContact O-OG1 3.06Å; K1033-T1036 VanDerWaalsContact CA-OG1 3.27Å; K1033-T1036 WeakPolarHBondContact CA-OG1 3.49Å; K1033-T1036 PolarHBondContact O-N 3.4Å; K1033-T1036 PolarHBondContact O-OG1 3.13Å; T1036-L1039 PolarHBondContact O-N 3.35Å; T1036-A1040 WeakPolarHBondContact O-CA 3.49Å; T1036-A1040 WeakPolarHBondContact O-CB 3.34Å; T1036-A1040 PolarHBondContact O-N 3.34Å
1037	D	46.8	Very low	40.3	Very low	111 Å²	111	96.4 Å²	96.4	59%	0.594	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-41.2	173	-72.3	-22.8	0	0	0	111.6	K1033 A1034 S1041	K1033-D1037 WeakPolarHBondContact O-CB 3.34Å; K1033-D1037 VanDerWaalsContact O-CG 3.25Å; K1033-D1037 PolarHBondContact O-N 3.2Å; A1034-D1037 PolarHBondContact O-N 3.28Å; D1037-S1041 WeakPolarHBondContact O-CB 3.22Å; D1037-S1041 PolarHBondContact O-N 3.46Å; D1037-S1041 PolarHBondContact O-OG 3.49Å
1038	I	41.1	Very low	40.3	Very low	44 Å²	44	100.4 Å²	100.4	23%	0.226	54%	0.541	C	S	.	.	H	α-helix	trans	-66.5	-43.8	174.4	-68.2	165.9	0	0	0	110.6	A1034 L1035 S1041 S1042 L1100	A1034-I1038 WeakPolarHBondContact O-CB 3.22Å; A1034-I1038 WeakPolarHBondContact O-CD1 3.49Å; A1034-I1038 WeakPolarHBondContact O-CG1 3.38Å; A1034-I1038 PolarHBondContact O-N 3.49Å; L1035-I1038 PolarHBondContact O-N 2.9Å; I1038-S1041 WeakPolarHBondContact CA-OG 2.99Å; I1038-S1041 PolarHBondContact O-N 3.29Å; I1038-S1041 PolarHBondContact O-OG 3.36Å; I1038-S1042 VanDerWaalsContact O-CB 3.3Å; I1038-S1042 WeakPolarHBondContact O-CB 3.04Å; I1038-S1042 PolarHBondContact O-N 2.82Å; I1038-L1100 HydrophobicContact CD1-CD2 3.66Å
1039	L	41.5	Very low	40	Very low	96 Å²	96	104.8 Å²	104.8	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-68.9	-39.9	178.3	-74.9	173.9	0	0	0	111.9	L1035 T1036 S1041 S1042 S1043	L1035-L1039 HydrophobicContact CD2-CD1 3.61Å; L1035-L1039 HydrophobicContact CD2-CG 4.05Å; L1035-L1039 VanDerWaalsContact O-CB 3.25Å; L1035-L1039 WeakPolarHBondContact O-CB 3.49Å; L1035-L1039 VanDerWaalsContact O-CG 3.23Å; L1035-L1039 WeakPolarHBondContact O-CG 3.37Å; L1035-L1039 PolarHBondContact O-N 3.18Å; T1036-L1039 PolarHBondContact O-N 3.35Å; L1039-S1041 VanDerWaalsContact C-N 3.31Å; L1039-S1041 PolarHBondContact O-N 3.14Å; L1039-S1042 VanDerWaalsContact CA-OG 3.28Å; L1039-S1042 WeakPolarHBondContact CA-OG 3.04Å; L1039-S1042 PolarHBondContact O-N 2.99Å; L1039-S1042 VanDerWaalsContact O-N 3.12Å; L1039-S1042 PolarHBondContact O-OG 3.15Å; L1039-S1043 PolarHBondContact O-N 2.8Å
1040	A	48.9	Very low	39.5	Very low	63 Å²	63	103.1 Å²	103.1	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-41.4	175	0	0	0	0	0	110.9	T1036 S1043	T1036-A1040 WeakPolarHBondContact O-CA 3.49Å; T1036-A1040 WeakPolarHBondContact O-CB 3.34Å; T1036-A1040 PolarHBondContact O-N 3.34Å; A1040-S1043 PolarHBondContact O-OG 2.96Å
1041	S	43.3	Very low	39.3	Very low	56 Å²	56	102.1 Å²	102.1	39%	0.392	57%	0.569	S	S	.	*	H	α-helix	trans	-72.7	-26.4	173.5	55.8	0	0	0	0	113.6	D1037 I1038 L1039 S1043	D1037-S1041 WeakPolarHBondContact O-CB 3.22Å; D1037-S1041 PolarHBondContact O-N 3.46Å; D1037-S1041 PolarHBondContact O-OG 3.49Å; I1038-S1041 WeakPolarHBondContact CA-OG 2.99Å; I1038-S1041 PolarHBondContact O-N 3.29Å; I1038-S1041 PolarHBondContact O-OG 3.36Å; L1039-S1041 VanDerWaalsContact C-N 3.31Å; L1039-S1041 PolarHBondContact O-N 3.14Å; S1041-S1043 VanDerWaalsContact C-N 3.31Å; S1041-S1043 PolarHBondContact O-N 3.16Å
1042	S	37.8	Very low	39.3	Very low	54 Å²	54	106.4 Å²	106.4	38%	0.378	60%	0.595	S	S	.	*	H	α-helix	trans	-78.6	-7	176.2	79.9	0	0	0	0	114.9	I1038 L1039 I1044	I1038-S1042 VanDerWaalsContact O-CB 3.3Å; I1038-S1042 WeakPolarHBondContact O-CB 3.04Å; I1038-S1042 PolarHBondContact O-N 2.82Å; L1039-S1042 VanDerWaalsContact CA-OG 3.28Å; L1039-S1042 WeakPolarHBondContact CA-OG 3.04Å; L1039-S1042 PolarHBondContact O-N 2.99Å; L1039-S1042 VanDerWaalsContact O-N 3.12Å; L1039-S1042 PolarHBondContact O-OG 3.15Å; S1042-I1044 CarbonylContact O-C 3.25Å; S1042-I1044 PolarHBondContact O-N 2.94Å
1043	S	35.2	Very low	39.3	Very low	93 Å²	93	102.9 Å²	102.9	65%	0.65	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	2.6	176.1	67.1	0	0	0	0	114.1	L1039 A1040 S1041 K1045	L1039-S1043 PolarHBondContact O-N 2.8Å; A1040-S1043 PolarHBondContact O-OG 2.96Å; S1041-S1043 VanDerWaalsContact C-N 3.31Å; S1041-S1043 PolarHBondContact O-N 3.16Å; S1043-K1045 VanDerWaalsContact C-N 3.26Å; S1043-K1045 PolarHBondContact O-N 3.23Å
1044	I	40.5	Very low	39	Very low	142 Å²	142	106 Å²	106	73%	0.728	60%	0.598	S	S	*	*	S	Bend	trans	-72.1	87.3	159.6	-54.5	174.4	0	0	0	107.9	S1042 E1046	S1042-I1044 CarbonylContact O-C 3.25Å; S1042-I1044 PolarHBondContact O-N 2.94Å; I1044-E1046 PolarHBondContact O-N 3.1Å
1045	K	34.8	Very low	38.9	Very low	188 Å²	188	109.8 Å²	109.8	82%	0.817	61%	0.611	S	S	*	*			trans	-43.3	137.1	165.3	-77.7	178.2	173.8	178.4	0	110.2	S1043	S1043-K1045 VanDerWaalsContact C-N 3.26Å; S1043-K1045 PolarHBondContact O-N 3.23Å
1046	E	32.1	Very low	39.3	Very low	173 Å²	173	111.2 Å²	111.2	81%	0.808	62%	0.615	S	S	*	*	S	Bend	trans	76.7	83.3	167.8	-57.8	175.4	-176.4	0	0	116.8	I1044	I1044-E1046 PolarHBondContact O-N 3.1Å
1047	K	32.2	Very low	39.5	Very low	194 Å²	194	112.8 Å²	112.8	84%	0.843	62%	0.616	S	S	*	*				169.2	135.2	112.1	-90.7	163.9	-176.8	175.9	0	109.1	F1049	K1047-F1049 PolarHBondContact O-N 3.3Å
1048	V	37.4	Very low	39.6	Very low	145 Å²	145	113.2 Å²	113.2	88%	0.879	61%	0.614	S	S	*	*	S	Bend	trans	-36.4	123.7	167.4	178.3	0	0	0	0	109.7	G1050	V1048-G1050 PolarHBondContact O-N 3.3Å
1049	F	33.9	Very low	40.2	Very low	165 Å²	165	116.7 Å²	116.7	72%	0.724	63%	0.629	S	S	*	*			trans	-43.5	93.4	-169	-78.1	-91.3	0	0	0	113.4	K1047	K1047-F1049 PolarHBondContact O-N 3.3Å
1050	G	31.6	Very low	40.9	Very low	57 Å²	57	114.2 Å²	114.2	59%	0.588	62%	0.616	S	S	*	*			trans	-72.8	128.6	168.2	0	0	0	0	0	109.7	V1048 S1052	V1048-G1050 PolarHBondContact O-N 3.3Å; G1050-S1052 PolarHBondContact O-N 3.3Å
1051	S	37.2	Very low	41.4	Very low	103 Å²	103	114 Å²	114	72%	0.72	60%	0.604	S	S	*	*	S	Bend	trans	-64.7	19	-167	55.7	0	0	0	0	117.7
1052	S	35.6	Very low	41.9	Very low	117 Å²	117	115 Å²	115	82%	0.818	61%	0.605	S	S	*	*			trans	-105.8	14.4	-162.5	65.2	0	0	0	0	117.3	G1050	G1050-S1052 PolarHBondContact O-N 3.3Å
1053	S	42.8	Very low	42.9	Very low	53 Å²	53	113.7 Å²	113.7	37%	0.371	60%	0.598	S	S	.	*			trans	-116.7	104.2	171	53.4	0	0	0	0	111.3	I1055 H1056	S1053-I1055 PolarHBondContact O-N 3.32Å; S1053-H1056 PolarHBondContact O-N 3.36Å; S1053-H1056 PolarHBondContact OG-CD2 3.4Å; S1053-H1056 VanDerWaalsContact OG-CD2 3.23Å
1054	F	38.3	Very low	44.1	Very low	186 Å²	186	109.8 Å²	109.8	82%	0.816	57%	0.569	S	S	*	*	H	α-helix	trans	-56.3	-31.4	-179.2	-130.3	-91.7	0	0	0	112.9	K1057	F1054-K1057 PolarHBondContact O-N 3.11Å
1055	I	38.6	Very low	45.1	Very low	125 Å²	125	104.4 Å²	104.4	64%	0.641	54%	0.541	S	S	*	.	H	α-helix	trans	-71.8	-34.5	-178.4	-59.1	171.6	0	0	0	111.8	S1053	S1053-I1055 PolarHBondContact O-N 3.32Å
1056	H	49	Very low	46.2	Very low	90 Å²	90	97.3 Å²	97.3	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-74.7	-26.5	177.9	-78.5	-63.6	0	0	0	112.6	S1053 I1060	S1053-H1056 PolarHBondContact O-N 3.36Å; S1053-H1056 PolarHBondContact OG-CD2 3.4Å; S1053-H1056 VanDerWaalsContact OG-CD2 3.23Å; H1056-I1060 VanDerWaalsContact O-CG1 3.32Å; H1056-I1060 WeakPolarHBondContact O-CG1 2.94Å; H1056-I1060 PolarHBondContact O-N 2.75Å; H1056-I1060 VanDerWaalsContact O-N 3.16Å
1057	K	50.5	Low	47.6	Very low	114 Å²	114	89.1 Å²	89.1	50%	0.496	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-42.2	175.2	-75.3	-174.8	178.4	178.9	0	111.9	F1054 Q1061	F1054-K1057 PolarHBondContact O-N 3.11Å; K1057-Q1061 WeakPolarHBondContact O-CB 3.35Å; K1057-Q1061 PolarHBondContact O-N 2.79Å
1058	E	49.8	Very low	49.3	Very low	120 Å²	120	80.1 Å²	80.1	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-67	-41.3	-178.1	-168.3	177	178.1	0	0	112.5	Q1061 N1062	E1058-Q1061 WeakPolarHBondContact O-CB 3.43Å; E1058-Q1061 PolarHBondContact O-N 3.3Å; E1058-N1062 VanDerWaalsContact O-CG 3.25Å; E1058-N1062 PolarHBondContact O-N 3.2Å; E1058-N1062 PolarHBondContact O-ND2 3.46Å
1059	H	52.8	Low	50.2	Low	116 Å²	116	75.5 Å²	75.5	54%	0.537	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-45.6	177.4	-78	-68.7	0	0	0	112.9	Q1061 N1062 A1063	H1059-Q1061 PolarHBondContact O-N 3.47Å; H1059-N1062 PolarHBondContact O-N 3.05Å; H1059-A1063 PolarHBondContact O-N 3.46Å
1060	I	56.3	Low	51.4	Low	44 Å²	44	68.7 Å²	68.7	23%	0.226	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-41.3	174.7	-68	170	0	0	0	109.6	H1056 A1063 I1064	H1056-I1060 VanDerWaalsContact O-CG1 3.32Å; H1056-I1060 WeakPolarHBondContact O-CG1 2.94Å; H1056-I1060 PolarHBondContact O-N 2.75Å; H1056-I1060 VanDerWaalsContact O-N 3.16Å; I1060-A1063 PolarHBondContact O-N 3.42Å; I1060-I1064 HydrophobicContact CG2-CD1 3.9Å; I1060-I1064 HydrophobicContact CG2-CG1 4.44Å; I1060-I1064 VanDerWaalsContact O-CG1 3.3Å; I1060-I1064 WeakPolarHBondContact O-CG1 3.32Å; I1060-I1064 PolarHBondContact O-N 2.89Å
1061	Q	59.3	Low	52.9	Low	59 Å²	59	66 Å²	66	28%	0.276	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-47	178.5	-179	179.4	-31.3	0	0	112.7	K1057 E1058 H1059 A1063 I1064 Q1065 S1145	K1057-Q1061 WeakPolarHBondContact O-CB 3.35Å; K1057-Q1061 PolarHBondContact O-N 2.79Å; E1058-Q1061 WeakPolarHBondContact O-CB 3.43Å; E1058-Q1061 PolarHBondContact O-N 3.3Å; H1059-Q1061 PolarHBondContact O-N 3.47Å; Q1061-A1063 VanDerWaalsContact C-N 3.27Å; Q1061-A1063 PolarHBondContact O-N 2.94Å; Q1061-I1064 PolarHBondContact O-N 3.46Å; Q1061-Q1065 WeakPolarHBondContact O-CB 3.39Å; Q1061-Q1065 PolarHBondContact O-N 3.23Å; Q1061-S1145 VanDerWaalsContact NE2-CA 3.29Å
1062	N	55.2	Low	53.8	Low	77 Å²	77	62.5 Å²	62.5	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-36.3	175.9	-70.4	-20.7	0	0	0	111.8	E1058 H1059 S1066	E1058-N1062 VanDerWaalsContact O-CG 3.25Å; E1058-N1062 PolarHBondContact O-N 3.2Å; E1058-N1062 PolarHBondContact O-ND2 3.46Å; H1059-N1062 PolarHBondContact O-N 3.05Å; N1062-S1066 WeakPolarHBondContact O-CB 3.25Å; N1062-S1066 PolarHBondContact O-N 3.49Å
1063	A	58	Low	54.6	Low	27 Å²	27	61.6 Å²	61.6	22%	0.223	30%	0.3	C	S	.	.	H	α-helix	trans	-69.1	-41.5	178.1	0	0	0	0	0	112.7	H1059 I1060 Q1061 S1066 A1067 L1100	H1059-A1063 PolarHBondContact O-N 3.46Å; I1060-A1063 PolarHBondContact O-N 3.42Å; Q1061-A1063 VanDerWaalsContact C-N 3.27Å; Q1061-A1063 PolarHBondContact O-N 2.94Å; A1063-S1066 PolarHBondContact O-N 3.28Å; A1063-A1067 PolarHBondContact O-N 2.96Å; A1063-L1100 HydrophobicContact CB-CD1 3.67Å; A1063-L1100 HydrophobicContact CB-CD2 3.76Å; A1063-L1100 HydrophobicContact CB-CG 4.34Å
1064	I	61.2	Low	55.1	Low	11 Å²	11	60.1 Å²	60.1	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-46.3	174.6	-65.6	166	0	0	0	110.6	I1060 Q1061 S1066 A1067 F1068 L1097 L1100 L1102 L1141	I1060-I1064 HydrophobicContact CG2-CD1 3.9Å; I1060-I1064 HydrophobicContact CG2-CG1 4.44Å; I1060-I1064 VanDerWaalsContact O-CG1 3.3Å; I1060-I1064 WeakPolarHBondContact O-CG1 3.32Å; I1060-I1064 PolarHBondContact O-N 2.89Å; Q1061-I1064 PolarHBondContact O-N 3.46Å; I1064-S1066 VanDerWaalsContact C-N 3.32Å; I1064-S1066 PolarHBondContact O-N 3.33Å; I1064-A1067 WeakPolarHBondContact O-CB 3.22Å; I1064-A1067 PolarHBondContact O-N 3.05Å; I1064-F1068 HydrophobicContact CG2-CD2 4.01Å; I1064-F1068 HydrophobicContact CG2-CE2 3.53Å; I1064-F1068 HydrophobicContact CG2-CZ 3.95Å; I1064-F1068 PolarHBondContact O-N 2.61Å; I1064-F1068 VanDerWaalsContact O-N 3.08Å; I1064-L1097 HydrophobicContact CB-CD2 4.43Å; I1064-L1097 HydrophobicContact CG1-CD2 4Å; I1064-L1097 HydrophobicContact CG2-CD2 4.12Å; I1064-L1100 HydrophobicContact CG1-CD1 3.88Å; I1064-L1102 HydrophobicContact CD1-CD1 3.63Å; I1064-L1102 HydrophobicContact CG1-CD1 3.88Å; I1064-L1141 HydrophobicContact CD1-CD1 3.62Å; I1064-L1141 HydrophobicContact CD1-CD2 4.5Å
1065	Q	59.5	Low	55.8	Low	28 Å²	28	51.2 Å²	51.2	13%	0.131	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-48.3	178.4	-178.4	171.1	9.5	0	0	111	Q1061 A1067 F1068 D1069	Q1061-Q1065 WeakPolarHBondContact O-CB 3.39Å; Q1061-Q1065 PolarHBondContact O-N 3.23Å; Q1065-A1067 PolarHBondContact O-N 2.89Å; Q1065-F1068 PolarHBondContact O-N 2.85Å; Q1065-F1068 VanDerWaalsContact O-N 3.16Å; Q1065-D1069 WeakPolarHBondContact O-CB 3.49Å; Q1065-D1069 VanDerWaalsContact O-CG 3.27Å; Q1065-D1069 PolarHBondContact O-N 2.97Å
1066	S	58.8	Low	56.1	Low	40 Å²	40	46.2 Å²	46.2	28%	0.28	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-33.9	176.6	-156	0	0	0	0	112.2	Y1027 N1062 A1063 I1064 W1070	Y1027-S1066 WeakPolarHBondContact CE2-OG 3.4Å; Y1027-S1066 VanDerWaalsContact OH-CB 3.29Å; Y1027-S1066 WeakPolarHBondContact OH-CB 3.34Å; Y1027-S1066 PolarHBondContact OH-O 3.13Å; Y1027-S1066 PolarHBondContact OH-OG 3.03Å; N1062-S1066 WeakPolarHBondContact O-CB 3.25Å; N1062-S1066 PolarHBondContact O-N 3.49Å; A1063-S1066 PolarHBondContact O-N 3.28Å; I1064-S1066 VanDerWaalsContact C-N 3.32Å; I1064-S1066 PolarHBondContact O-N 3.33Å; S1066-W1070 WeakPolarHBondContact O-CB 3.5Å; S1066-W1070 PolarHBondContact O-N 3.42Å
1067	A	62.5	Low	55.7	Low	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-72.1	-35.5	177.5	0	0	0	0	0	113.5	A1063 I1064 Q1065 L1071 T1093 M1096	A1063-A1067 PolarHBondContact O-N 2.96Å; I1064-A1067 WeakPolarHBondContact O-CB 3.22Å; I1064-A1067 PolarHBondContact O-N 3.05Å; Q1065-A1067 PolarHBondContact O-N 2.89Å; A1067-L1071 PolarHBondContact O-N 3.21Å; A1067-T1093 HydrophobicContact CB-CG2 4.06Å; A1067-T1093 PolarHBondContact O-OG1 2.99Å; A1067-M1096 HydrophobicContact CB-CB 4.22Å; A1067-M1096 HydrophobicContact CB-SD 4.05Å
1068	F	66.3	Low	55.3	Low	6 Å²	6	39.5 Å²	39.5	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-76.2	-40.2	174.6	-66	-30	0	0	0	112.8	I1064 Q1065 W1070 L1071 Y1072 T1093 L1097 C1132 R1133 L1136 L1138	I1064-F1068 HydrophobicContact CG2-CD2 4.01Å; I1064-F1068 HydrophobicContact CG2-CE2 3.53Å; I1064-F1068 HydrophobicContact CG2-CZ 3.95Å; I1064-F1068 PolarHBondContact O-N 2.61Å; I1064-F1068 VanDerWaalsContact O-N 3.08Å; Q1065-F1068 PolarHBondContact O-N 2.85Å; Q1065-F1068 VanDerWaalsContact O-N 3.16Å; F1068-W1070 PolarHBondContact O-N 3.48Å; F1068-L1071 PolarHBondContact O-N 3.31Å; F1068-L1071 VanDerWaalsContact O-N 3.16Å; F1068-Y1072 WeakPolarHBondContact O-CB 3.28Å; F1068-Y1072 PolarHBondContact O-N 2.94Å; F1068-T1093 HydrophobicContact CD1-CG2 4.13Å; F1068-T1093 HydrophobicContact CE1-CG2 4.35Å; F1068-L1097 HydrophobicContact CE1-CD1 4.22Å; F1068-C1132 HydrophobicContact CD1-CB 3.71Å; F1068-C1132 HydrophobicContact CE1-CB 3.67Å; F1068-C1132 HydrophobicContact CE2-CB 4.49Å; F1068-C1132 HydrophobicContact CG-CB 4.19Å; F1068-C1132 HydrophobicContact CZ-CB 4.08Å; F1068-R1133 HydrophobicContact CE2-CB 4.33Å; F1068-L1136 HydrophobicContact CE1-CD1 3.58Å; F1068-L1136 HydrophobicContact CZ-CD1 4.15Å; F1068-L1138 HydrophobicContact CE1-CD1 4.45Å; F1068-L1138 HydrophobicContact CZ-CD1 3.7Å
1069	D	57.1	Low	54.7	Low	47 Å²	47	35.5 Å²	35.5	25%	0.251	18%	0.177	S	C	.	.	H	α-helix	trans	-57.5	-37.8	171.8	-69.3	-22.7	0	0	0	110.3	Q1065 Y1072 Y1073 L1148	Q1065-D1069 WeakPolarHBondContact O-CB 3.49Å; Q1065-D1069 VanDerWaalsContact O-CG 3.27Å; Q1065-D1069 PolarHBondContact O-N 2.97Å; D1069-Y1072 WeakPolarHBondContact O-CB 3.32Å; D1069-Y1072 PolarHBondContact O-N 2.85Å; D1069-Y1073 VanDerWaalsContact O-CB 3.25Å; D1069-Y1073 WeakPolarHBondContact O-CB 3.33Å; D1069-Y1073 PolarHBondContact O-N 3.4Å; D1069-L1148 WeakPolarHBondContact OD2-CD1 3.41Å
1070	W	59.4	Low	53.9	Low	23 Å²	23	33.8 Å²	33.8	9%	0.087	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-41.5	176.5	-158	84.6	0	0	0	112.8	F1024 Y1027 S1066 F1068 Y1073 W1074 M1092	F1024-W1070 HydrophobicContact CD2-CH2 4.39Å; F1024-W1070 AromaticContact CD2-CZ2 3.72Å; F1024-W1070 HydrophobicContact CD2-CZ2 3.72Å; F1024-W1070 AromaticContact CE2-CH2 3.99Å; F1024-W1070 HydrophobicContact CE2-CH2 3.99Å; F1024-W1070 AromaticContact CE2-CZ2 3.69Å; F1024-W1070 HydrophobicContact CE2-CZ2 3.69Å; Y1027-W1070 AromaticContact CD1-CD1 3.93Å; Y1027-W1070 AromaticContact CD1-NE1 3.73Å; Y1027-W1070 AromaticContact CE1-CD1 3.81Å; Y1027-W1070 HydrophobicContact CE1-CG 4.32Å; S1066-W1070 WeakPolarHBondContact O-CB 3.5Å; S1066-W1070 PolarHBondContact O-N 3.42Å; F1068-W1070 PolarHBondContact O-N 3.48Å; W1070-Y1073 WeakPolarHBondContact O-CB 3.35Å; W1070-Y1073 PolarHBondContact O-N 3.19Å; W1070-W1074 AromaticContact CD2-CD1 3.57Å; W1070-W1074 AromaticContact CD2-NE1 3.67Å; W1070-W1074 AromaticContact CE2-CD1 3.64Å; W1070-W1074 AromaticContact CE2-NE1 3.23Å; W1070-W1074 AromaticContact CE3-CD1 3.56Å; W1070-W1074 HydrophobicContact CE3-CG 4.37Å; W1070-W1074 AromaticContact CE3-NE1 3.79Å; W1070-W1074 AromaticContact CH2-CD1 3.66Å; W1070-W1074 HydrophobicContact CH2-CD2 4.23Å; W1070-W1074 AromaticContact CH2-CE2 3.38Å; W1070-W1074 HydrophobicContact CH2-CG 4.36Å; W1070-W1074 AromaticContact CH2-CZ2 3.69Å; W1070-W1074 HydrophobicContact CH2-CZ2 3.69Å; W1070-W1074 AromaticContact CH2-NE1 3.01Å; W1070-W1074 AromaticContact CZ2-CD1 3.74Å; W1070-W1074 AromaticContact CZ2-CE2 3.65Å; W1070-W1074 AromaticContact CZ2-CZ2 3.97Å; W1070-W1074 HydrophobicContact CZ2-CZ2 3.97Å; W1070-W1074 AromaticContact CZ2-NE1 2.93Å; W1070-W1074 AromaticContact CZ3-CD1 3.59Å; W1070-W1074 HydrophobicContact CZ3-CD2 4.4Å; W1070-W1074 AromaticContact CZ3-CE2 3.97Å; W1070-W1074 HydrophobicContact CZ3-CG 4.18Å; W1070-W1074 AromaticContact CZ3-NE1 3.48Å; W1070-W1074 AromaticContact NE1-NE1 3.94Å; W1070-W1074 VanDerWaalsContact O-CD1 3.3Å; W1070-W1074 PolarHBondContact O-N 3.02Å; W1070-M1092 HydrophobicContact CE3-CB 4.45Å; W1070-M1092 HydrophobicContact CH2-CB 4.01Å; W1070-M1092 HydrophobicContact CH2-CG 4.18Å; W1070-M1092 HydrophobicContact CH2-SD 3.23Å; W1070-M1092 WeakPolarHBondContact CH2-SD 3.37Å; W1070-M1092 HydrophobicContact CZ2-SD 4.07Å; W1070-M1092 HydrophobicContact CZ3-CB 3.6Å; W1070-M1092 HydrophobicContact CZ3-CG 4.21Å; W1070-M1092 HydrophobicContact CZ3-SD 3.86Å
1071	L	62.4	Low	53.1	Low	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-42.9	173	-176.2	60	0	0	0	111.7	A1067 F1068 Y1073 W1074 S1075 F1086 Y1090 T1093 F1128	A1067-L1071 PolarHBondContact O-N 3.21Å; F1068-L1071 PolarHBondContact O-N 3.31Å; F1068-L1071 VanDerWaalsContact O-N 3.16Å; L1071-Y1073 VanDerWaalsContact C-N 3.31Å; L1071-Y1073 PolarHBondContact O-N 3.26Å; L1071-W1074 PolarHBondContact O-N 2.86Å; L1071-S1075 VanDerWaalsContact O-CB 3.29Å; L1071-S1075 WeakPolarHBondContact O-CB 3.34Å; L1071-S1075 PolarHBondContact O-N 2.7Å; L1071-S1075 PolarHBondContact O-OG 2.74Å; L1071-F1086 HydrophobicContact CD1-CD2 4.38Å; L1071-F1086 HydrophobicContact CD1-CE2 3.88Å; L1071-F1086 HydrophobicContact CD1-CZ 4.31Å; L1071-F1086 HydrophobicContact CG-CE2 4.39Å; L1071-Y1090 HydrophobicContact CD1-CD2 4.28Å; L1071-Y1090 HydrophobicContact CD2-CD2 3.93Å; L1071-T1093 HydrophobicContact CB-CG2 4.43Å; L1071-T1093 HydrophobicContact CD2-CG2 4.45Å; L1071-F1128 HydrophobicContact CB-CE1 4.09Å; L1071-F1128 HydrophobicContact CD2-CE1 4.07Å; L1071-F1128 HydrophobicContact CD2-CZ 4.01Å; L1071-F1128 HydrophobicContact CG-CE1 3.91Å; L1071-F1128 HydrophobicContact CG-CZ 3.95Å
1072	Y	56.8	Low	52.1	Low	30 Å²	30	33 Å²	33	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-45.3	174.6	-172.8	-108.2	0	0	0	110.8	F1068 D1069 S1075 I1076 S1119 P1125 F1128	F1068-Y1072 WeakPolarHBondContact O-CB 3.28Å; F1068-Y1072 PolarHBondContact O-N 2.94Å; D1069-Y1072 WeakPolarHBondContact O-CB 3.32Å; D1069-Y1072 PolarHBondContact O-N 2.85Å; Y1072-S1075 VanDerWaalsContact CA-OG 3.3Å; Y1072-S1075 WeakPolarHBondContact CA-OG 3.42Å; Y1072-S1075 PolarHBondContact O-N 3.31Å; Y1072-S1075 PolarHBondContact O-OG 3.06Å; Y1072-I1076 HydrophobicContact CD1-CD1 3.7Å; Y1072-I1076 HydrophobicContact CD2-CD1 3.87Å; Y1072-I1076 HydrophobicContact CE1-CD1 3.22Å; Y1072-I1076 HydrophobicContact CE2-CD1 3.44Å; Y1072-I1076 VanDerWaalsContact CE2-CD1 3.44Å; Y1072-I1076 HydrophobicContact CE2-CG1 4.5Å; Y1072-I1076 HydrophobicContact CG-CD1 4Å; Y1072-I1076 WeakPolarHBondContact O-CB 3.43Å; Y1072-I1076 WeakPolarHBondContact O-CG1 3.48Å; Y1072-I1076 PolarHBondContact O-N 2.95Å; Y1072-I1076 WeakPolarHBondContact OH-CD1 3.39Å; Y1072-S1119 WeakPolarHBondContact CE2-O 3.47Å; Y1072-S1119 PolarHBondContact OH-O 3.5Å; Y1072-P1125 HydrophobicContact CD1-CB 3.93Å; Y1072-P1125 HydrophobicContact CD1-CG 3.82Å; Y1072-P1125 HydrophobicContact CE1-CB 4.13Å; Y1072-P1125 HydrophobicContact CE1-CG 3.61Å; Y1072-P1125 HydrophobicContact CG-CB 4.28Å; Y1072-F1128 HydrophobicContact CD2-CB 3.52Å; Y1072-F1128 AromaticContact CD2-CD1 3.5Å; Y1072-F1128 HydrophobicContact CD2-CD1 3.5Å; Y1072-F1128 HydrophobicContact CD2-CD2 4.18Å; Y1072-F1128 HydrophobicContact CD2-CE1 4.2Å; Y1072-F1128 AromaticContact CD2-CG 3.45Å; Y1072-F1128 HydrophobicContact CD2-CG 3.45Å; Y1072-F1128 VanDerWaalsContact CD2-CG 3.45Å; Y1072-F1128 HydrophobicContact CE2-CB 3.85Å; Y1072-F1128 HydrophobicContact CE2-CG 4.16Å; Y1072-F1128 AromaticContact CG-CD1 4Å; Y1072-F1128 HydrophobicContact CG-CD1 4Å; Y1072-F1128 HydrophobicContact CG-CG 4.37Å
1073	Y	52.3	Low	51.6	Low	98 Å²	98	37.6 Å²	37.6	38%	0.384	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-44.9	177.6	-172.8	-89.7	0	0	0	112.3	L1020 D1069 W1070 L1071 S1075 I1076 L1077	L1020-Y1073 HydrophobicContact CD2-CE1 3.33Å; L1020-Y1073 WeakPolarHBondContact CD2-OH 3.29Å; D1069-Y1073 VanDerWaalsContact O-CB 3.25Å; D1069-Y1073 WeakPolarHBondContact O-CB 3.33Å; D1069-Y1073 PolarHBondContact O-N 3.4Å; W1070-Y1073 WeakPolarHBondContact O-CB 3.35Å; W1070-Y1073 PolarHBondContact O-N 3.19Å; L1071-Y1073 VanDerWaalsContact C-N 3.31Å; L1071-Y1073 PolarHBondContact O-N 3.26Å; Y1073-S1075 VanDerWaalsContact C-N 3.34Å; Y1073-S1075 PolarHBondContact O-N 3.01Å; Y1073-I1076 PolarHBondContact O-N 2.75Å; Y1073-L1077 HydrophobicContact CD1-CD1 3.94Å; Y1073-L1077 HydrophobicContact CD2-CD1 3.33Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.6Å; Y1073-L1077 HydrophobicContact CE2-CD1 2.93Å; Y1073-L1077 HydrophobicContact CE2-CG 4.39Å; Y1073-L1077 HydrophobicContact CG-CD1 3.8Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.26Å; Y1073-L1077 PolarHBondContact O-N 3.32Å; Y1073-L1077 WeakPolarHBondContact OH-CD1 3.37Å
1074	W	52.9	Low	51	Low	21 Å²	21	43.5 Å²	43.5	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-36.2	177.2	-90.4	78.1	0	0	0	113.4	F1024 W1070 L1071 K1078 P1079 I1088	F1024-W1074 HydrophobicContact CD2-CZ2 4.22Å; F1024-W1074 HydrophobicContact CE2-CZ2 4.37Å; W1070-W1074 AromaticContact CD2-CD1 3.57Å; W1070-W1074 AromaticContact CD2-NE1 3.67Å; W1070-W1074 AromaticContact CE2-CD1 3.64Å; W1070-W1074 AromaticContact CE2-NE1 3.23Å; W1070-W1074 AromaticContact CE3-CD1 3.56Å; W1070-W1074 HydrophobicContact CE3-CG 4.37Å; W1070-W1074 AromaticContact CE3-NE1 3.79Å; W1070-W1074 AromaticContact CH2-CD1 3.66Å; W1070-W1074 HydrophobicContact CH2-CD2 4.23Å; W1070-W1074 AromaticContact CH2-CE2 3.38Å; W1070-W1074 HydrophobicContact CH2-CG 4.36Å; W1070-W1074 AromaticContact CH2-CZ2 3.69Å; W1070-W1074 HydrophobicContact CH2-CZ2 3.69Å; W1070-W1074 AromaticContact CH2-NE1 3.01Å; W1070-W1074 AromaticContact CZ2-CD1 3.74Å; W1070-W1074 AromaticContact CZ2-CE2 3.65Å; W1070-W1074 AromaticContact CZ2-CZ2 3.97Å; W1070-W1074 HydrophobicContact CZ2-CZ2 3.97Å; W1070-W1074 AromaticContact CZ2-NE1 2.93Å; W1070-W1074 AromaticContact CZ3-CD1 3.59Å; W1070-W1074 HydrophobicContact CZ3-CD2 4.4Å; W1070-W1074 AromaticContact CZ3-CE2 3.97Å; W1070-W1074 HydrophobicContact CZ3-CG 4.18Å; W1070-W1074 AromaticContact CZ3-NE1 3.48Å; W1070-W1074 AromaticContact NE1-NE1 3.94Å; W1070-W1074 VanDerWaalsContact O-CD1 3.3Å; W1070-W1074 PolarHBondContact O-N 3.02Å; L1071-W1074 PolarHBondContact O-N 2.86Å; W1074-K1078 HydrophobicContact CD2-CD 4.01Å; W1074-K1078 HydrophobicContact CE3-CB 4.22Å; W1074-K1078 HydrophobicContact CE3-CD 3.25Å; W1074-K1078 HydrophobicContact CE3-CG 4.29Å; W1074-K1078 HydrophobicContact CH2-CD 3.74Å; W1074-K1078 HydrophobicContact CZ2-CD 4.34Å; W1074-K1078 HydrophobicContact CZ3-CD 3.13Å; W1074-K1078 HydrophobicContact CZ3-CG 4.46Å; W1074-K1078 VanDerWaalsContact O-CB 3.26Å; W1074-K1078 WeakPolarHBondContact O-CB 3.29Å; W1074-K1078 PolarHBondContact O-N 3.31Å; W1074-P1079 WeakPolarHBondContact O-CD 3.43Å; W1074-I1088 HydrophobicContact CH2-CB 4.45Å; W1074-I1088 HydrophobicContact CH2-CG2 3.79Å; W1074-I1088 HydrophobicContact CZ3-CB 4Å; W1074-I1088 HydrophobicContact CZ3-CG2 3.85Å
1075	S	52.6	Low	50.4	Low	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-79.6	-14.3	178.7	57.2	0	0	0	0	113.6	L1071 Y1072 Y1073 P1079 S1119	L1071-S1075 VanDerWaalsContact O-CB 3.29Å; L1071-S1075 WeakPolarHBondContact O-CB 3.34Å; L1071-S1075 PolarHBondContact O-N 2.7Å; L1071-S1075 PolarHBondContact O-OG 2.74Å; Y1072-S1075 VanDerWaalsContact CA-OG 3.3Å; Y1072-S1075 WeakPolarHBondContact CA-OG 3.42Å; Y1072-S1075 PolarHBondContact O-N 3.31Å; Y1072-S1075 PolarHBondContact O-OG 3.06Å; Y1073-S1075 VanDerWaalsContact C-N 3.34Å; Y1073-S1075 PolarHBondContact O-N 3.01Å; S1075-P1079 WeakPolarHBondContact O-CD 3.47Å; S1075-P1079 WeakPolarHBondContact O-CG 3.23Å; S1075-S1119 WeakPolarHBondContact CB-OG 3.32Å; S1075-S1119 PolarHBondContact O-OG 3.01Å; S1075-S1119 WeakPolarHBondContact OG-CB 3.17Å; S1075-S1119 PolarHBondContact OG-OG 3.3Å
1076	I	45.4	Very low	50.3	Low	20 Å²	20	42.6 Å²	42.6	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-100.7	-44.4	174.5	-69.9	175.3	0	0	0	111.7	F764 Y1072 Y1073	F764-I1076 HydrophobicContact CB-CG2 4.34Å; F764-I1076 HydrophobicContact CD2-CG2 3.8Å; F764-I1076 HydrophobicContact CE2-CG2 4.14Å; F764-I1076 WeakPolarHBondContact CE2-O 3.32Å; F764-I1076 HydrophobicContact CG-CG2 4.08Å; F764-I1076 VanDerWaalsContact CZ-O 3.29Å; F764-I1076 WeakPolarHBondContact CZ-O 3.26Å; Y1072-I1076 HydrophobicContact CD1-CD1 3.7Å; Y1072-I1076 HydrophobicContact CD2-CD1 3.87Å; Y1072-I1076 HydrophobicContact CE1-CD1 3.22Å; Y1072-I1076 HydrophobicContact CE2-CD1 3.44Å; Y1072-I1076 VanDerWaalsContact CE2-CD1 3.44Å; Y1072-I1076 HydrophobicContact CE2-CG1 4.5Å; Y1072-I1076 HydrophobicContact CG-CD1 4Å; Y1072-I1076 WeakPolarHBondContact O-CB 3.43Å; Y1072-I1076 WeakPolarHBondContact O-CG1 3.48Å; Y1072-I1076 PolarHBondContact O-N 2.95Å; Y1072-I1076 WeakPolarHBondContact OH-CD1 3.39Å; Y1073-I1076 PolarHBondContact O-N 2.75Å
1077	L	41.7	Very low	50.3	Low	26 Å²	26	44.8 Å²	44.8	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-92.4	-22.7	-170	-70.5	165.5	0	0	0	114	Y1073	Y1073-L1077 HydrophobicContact CD1-CD1 3.94Å; Y1073-L1077 HydrophobicContact CD2-CD1 3.33Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.6Å; Y1073-L1077 HydrophobicContact CE2-CD1 2.93Å; Y1073-L1077 HydrophobicContact CE2-CG 4.39Å; Y1073-L1077 HydrophobicContact CG-CD1 3.8Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.26Å; Y1073-L1077 PolarHBondContact O-N 3.32Å; Y1073-L1077 WeakPolarHBondContact OH-CD1 3.37Å
1078	K	40.2	Very low	49.9	Very low	37 Å²	37	47.7 Å²	47.7	16%	0.161	23%	0.234	C	C	.	.	S	Bend	trans	-106	-14.4	-174.7	-142.5	177.8	-167.6	177.4	0	117.6	W1074 I1080 S1081 S1085	W1074-K1078 HydrophobicContact CD2-CD 4.01Å; W1074-K1078 HydrophobicContact CE3-CB 4.22Å; W1074-K1078 HydrophobicContact CE3-CD 3.25Å; W1074-K1078 HydrophobicContact CE3-CG 4.29Å; W1074-K1078 HydrophobicContact CH2-CD 3.74Å; W1074-K1078 HydrophobicContact CZ2-CD 4.34Å; W1074-K1078 HydrophobicContact CZ3-CD 3.13Å; W1074-K1078 HydrophobicContact CZ3-CG 4.46Å; W1074-K1078 VanDerWaalsContact O-CB 3.26Å; W1074-K1078 WeakPolarHBondContact O-CB 3.29Å; W1074-K1078 PolarHBondContact O-N 3.31Å; K1078-I1080 PolarHBondContact O-N 2.96Å; K1078-S1081 WeakPolarHBondContact CG-OG 3.03Å; K1078-S1081 PolarHBondContact O-N 3.21Å; K1078-S1081 PolarHBondContact O-OG 2.94Å; K1078-S1085 PolarHBondContact O-OG 3Å
1079	P	38.5	Very low	49.6	Very low	35 Å²	35	47.4 Å²	47.4	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.1	178.2	-26.4	33	0	0	0	113.9	W1074 S1075 S1081 E1116	W1074-P1079 WeakPolarHBondContact O-CD 3.43Å; S1075-P1079 WeakPolarHBondContact O-CD 3.47Å; S1075-P1079 WeakPolarHBondContact O-CG 3.23Å; P1079-S1081 PolarHBondContact O-N 3.39Å; P1079-E1116 WeakPolarHBondContact CB-OE1 3.5Å; P1079-E1116 HydrophobicContact CG-CG 4.29Å; P1079-E1116 WeakPolarHBondContact CG-OE1 2.89Å
1080	I	36.1	Very low	50	Low	81 Å²	81	46 Å²	46	42%	0.415	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.3	-178.1	-58.5	176.3	0	0	0	111.4	W763 F764 K1078	W763-I1080 HydrophobicContact CH2-CD1 3.62Å; W763-I1080 HydrophobicContact CZ2-CD1 3.61Å; F764-I1080 HydrophobicContact CE2-CD1 4.37Å; F764-I1080 HydrophobicContact CZ-CD1 3.74Å; K1078-I1080 PolarHBondContact O-N 2.96Å
1081	S	38.7	Very low	50	Low	44 Å²	44	47.9 Å²	47.9	31%	0.308	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-26.5	-168.6	71.6	0	0	0	0	116.4	H1013 K1078 P1079	H1013-S1081 WeakPolarHBondContact CE1-CB 3.46Å; H1013-S1081 WeakPolarHBondContact NE2-CB 3.41Å; K1078-S1081 WeakPolarHBondContact CG-OG 3.03Å; K1078-S1081 PolarHBondContact O-N 3.21Å; K1078-S1081 PolarHBondContact O-OG 2.94Å; P1079-S1081 PolarHBondContact O-N 3.39Å
1082	S	38.1	Very low	49.9	Very low	43 Å²	43	50.6 Å²	50.6	30%	0.301	25%	0.254	S	S	.	.			trans	-158.6	136.8	175.7	75.5	0	0	0	0	114.1	Y1084 S1085	S1082-Y1084 PolarHBondContact O-N 3.36Å; S1082-S1085 WeakPolarHBondContact O-CB 3.36Å; S1082-S1085 PolarHBondContact O-N 3.15Å; S1082-S1085 PolarHBondContact O-OG 2.81Å; S1082-S1085 WeakPolarHBondContact OG-CB 3.32Å; S1082-S1085 PolarHBondContact OG-N 3.41Å
1083	E	44.9	Very low	50.4	Low	173 Å²	173	49.2 Å²	49.2	81%	0.808	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-18	172	-74.7	178.2	157.8	0	0	113.6
1084	Y	44.9	Very low	51.1	Low	150 Å²	150	45.4 Å²	45.4	59%	0.588	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-1.7	-176.1	-55.4	-78	0	0	0	113.2	S1082 V1087 I1088	S1082-Y1084 PolarHBondContact O-N 3.36Å; Y1084-V1087 PolarHBondContact O-N 3.47Å; Y1084-I1088 WeakPolarHBondContact O-CB 3.43Å; Y1084-I1088 WeakPolarHBondContact O-CD1 3.1Å; Y1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; Y1084-I1088 PolarHBondContact O-N 3Å
1085	S	50.4	Low	51.4	Low	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-50.4	-171.7	61.7	0	0	0	0	112.7	K1078 S1082 V1087 I1088 G1089	K1078-S1085 PolarHBondContact O-OG 3Å; S1082-S1085 WeakPolarHBondContact O-CB 3.36Å; S1082-S1085 PolarHBondContact O-N 3.15Å; S1082-S1085 PolarHBondContact O-OG 2.81Å; S1082-S1085 WeakPolarHBondContact OG-CB 3.32Å; S1082-S1085 PolarHBondContact OG-N 3.41Å; S1085-V1087 VanDerWaalsContact C-N 3.31Å; S1085-V1087 PolarHBondContact O-N 3.29Å; S1085-I1088 PolarHBondContact O-N 3.44Å; S1085-G1089 PolarHBondContact O-N 2.9Å
1086	F	56.8	Low	51.9	Low	19 Å²	19	48.1 Å²	48.1	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-45.2	173.1	179.6	-93.8	0	0	0	111.4	L1071 I1088 G1089 Y1090 L1108 L1115 E1116	L1071-F1086 HydrophobicContact CD1-CD2 4.38Å; L1071-F1086 HydrophobicContact CD1-CE2 3.88Å; L1071-F1086 HydrophobicContact CD1-CZ 4.31Å; L1071-F1086 HydrophobicContact CG-CE2 4.39Å; F1086-I1088 VanDerWaalsContact C-N 3.35Å; F1086-I1088 PolarHBondContact O-N 3.25Å; F1086-G1089 PolarHBondContact O-N 2.91Å; F1086-Y1090 HydrophobicContact CE1-CD2 4.25Å; F1086-Y1090 HydrophobicContact CE1-CG 4.15Å; F1086-Y1090 AromaticContact CZ-CD2 3.95Å; F1086-Y1090 HydrophobicContact CZ-CD2 3.95Å; F1086-Y1090 HydrophobicContact CZ-CG 4.26Å; F1086-Y1090 WeakPolarHBondContact O-CB 3.35Å; F1086-Y1090 PolarHBondContact O-N 3.42Å; F1086-L1108 HydrophobicContact CE1-CD1 4.24Å; F1086-L1115 HydrophobicContact CE1-CB 4.42Å; F1086-L1115 HydrophobicContact CE2-CB 3.74Å; F1086-L1115 HydrophobicContact CZ-CB 3.4Å; F1086-L1115 VanDerWaalsContact CZ-CB 3.4Å; F1086-L1115 HydrophobicContact CZ-CD1 4.08Å; F1086-L1115 HydrophobicContact CZ-CG 4.39Å; F1086-E1116 HydrophobicContact CB-CB 4.42Å; F1086-E1116 HydrophobicContact CB-CG 4.25Å; F1086-E1116 HydrophobicContact CD2-CB 3.77Å; F1086-E1116 HydrophobicContact CD2-CG 4.15Å; F1086-E1116 HydrophobicContact CE2-CB 4.28Å; F1086-E1116 HydrophobicContact CG-CB 4.02Å; F1086-E1116 HydrophobicContact CG-CG 4.34Å
1087	V	57.9	Low	52.8	Low	86 Å²	86	47.1 Å²	47.1	52%	0.521	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-43.5	-179.8	-178.9	0	0	0	0	111.6	Y1084 S1085 S1091	Y1084-V1087 PolarHBondContact O-N 3.47Å; S1085-V1087 VanDerWaalsContact C-N 3.31Å; S1085-V1087 PolarHBondContact O-N 3.29Å; V1087-S1091 VanDerWaalsContact O-CB 3.24Å; V1087-S1091 WeakPolarHBondContact O-CB 3.2Å; V1087-S1091 PolarHBondContact O-N 3.34Å; V1087-S1091 PolarHBondContact O-OG 3.43Å
1088	I	55.5	Low	53.8	Low	62 Å²	62	52.5 Å²	52.5	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-50.2	175.3	-67.4	163.6	0	0	0	109.7	W1074 Y1084 S1085 F1086 Y1090 S1091 M1092	W1074-I1088 HydrophobicContact CH2-CB 4.45Å; W1074-I1088 HydrophobicContact CH2-CG2 3.79Å; W1074-I1088 HydrophobicContact CZ3-CB 4Å; W1074-I1088 HydrophobicContact CZ3-CG2 3.85Å; Y1084-I1088 WeakPolarHBondContact O-CB 3.43Å; Y1084-I1088 WeakPolarHBondContact O-CD1 3.1Å; Y1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; Y1084-I1088 PolarHBondContact O-N 3Å; S1085-I1088 PolarHBondContact O-N 3.44Å; F1086-I1088 VanDerWaalsContact C-N 3.35Å; F1086-I1088 PolarHBondContact O-N 3.25Å; I1088-Y1090 VanDerWaalsContact C-N 3.34Å; I1088-Y1090 PolarHBondContact O-N 3.11Å; I1088-S1091 WeakPolarHBondContact CA-OG 3.3Å; I1088-S1091 PolarHBondContact O-N 3.26Å; I1088-S1091 PolarHBondContact O-OG 3.42Å; I1088-M1092 HydrophobicContact CG2-CE 3.8Å; I1088-M1092 WeakPolarHBondContact O-CG 3.36Å; I1088-M1092 PolarHBondContact O-N 2.84Å
1089	G	58.8	Low	54.6	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-48	-56.5	175.5	0	0	0	0	0	111.8	S1085 F1086 M1092 T1093	S1085-G1089 PolarHBondContact O-N 2.9Å; F1086-G1089 PolarHBondContact O-N 2.91Å; G1089-M1092 PolarHBondContact O-N 2.85Å; G1089-T1093 PolarHBondContact O-N 2.65Å; G1089-T1093 PolarHBondContact O-OG1 3.16Å; G1089-T1093 VanDerWaalsContact O-OG1 3.12Å
1090	Y	65.1	Low	55.5	Low	18 Å²	18	52.4 Å²	52.4	7%	0.071	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-44.2	-180	-172.4	-103	0	0	0	112.7	L1071 F1086 I1088 M1092 T1093 L1094 L1108 L1115 L1136	L1071-Y1090 HydrophobicContact CD1-CD2 4.28Å; L1071-Y1090 HydrophobicContact CD2-CD2 3.93Å; F1086-Y1090 HydrophobicContact CE1-CD2 4.25Å; F1086-Y1090 HydrophobicContact CE1-CG 4.15Å; F1086-Y1090 AromaticContact CZ-CD2 3.95Å; F1086-Y1090 HydrophobicContact CZ-CD2 3.95Å; F1086-Y1090 HydrophobicContact CZ-CG 4.26Å; F1086-Y1090 WeakPolarHBondContact O-CB 3.35Å; F1086-Y1090 PolarHBondContact O-N 3.42Å; I1088-Y1090 VanDerWaalsContact C-N 3.34Å; I1088-Y1090 PolarHBondContact O-N 3.11Å; Y1090-M1092 VanDerWaalsContact C-N 3.31Å; Y1090-M1092 PolarHBondContact O-N 3.24Å; Y1090-T1093 PolarHBondContact O-N 3.34Å; Y1090-L1094 HydrophobicContact CD1-CD1 3.76Å; Y1090-L1094 HydrophobicContact CD1-CG 4.24Å; Y1090-L1094 HydrophobicContact CE1-CD1 3.41Å; Y1090-L1094 VanDerWaalsContact CE1-CD1 3.41Å; Y1090-L1094 HydrophobicContact CE1-CD2 4.39Å; Y1090-L1094 HydrophobicContact CE1-CG 3.94Å; Y1090-L1094 WeakPolarHBondContact O-CG 3.26Å; Y1090-L1094 PolarHBondContact O-N 3.05Å; Y1090-L1108 HydrophobicContact CD1-CD1 3.93Å; Y1090-L1108 HydrophobicContact CD2-CD1 4.29Å; Y1090-L1108 HydrophobicContact CE1-CD1 3.49Å; Y1090-L1108 VanDerWaalsContact CE1-CD1 3.49Å; Y1090-L1108 HydrophobicContact CE1-CG 3.95Å; Y1090-L1108 HydrophobicContact CE2-CD1 3.92Å; Y1090-L1108 HydrophobicContact CE2-CD2 3.93Å; Y1090-L1108 HydrophobicContact CE2-CG 4.17Å; Y1090-L1108 HydrophobicContact CG-CD1 4.31Å; Y1090-L1108 WeakPolarHBondContact OH-CG 3.41Å; Y1090-L1115 HydrophobicContact CD2-CD1 4.15Å; Y1090-L1115 HydrophobicContact CE2-CD1 3.74Å; Y1090-L1136 HydrophobicContact CE2-CD2 3.93Å; Y1090-L1136 WeakPolarHBondContact OH-CD2 3.32Å
1091	S	60.2	Low	56.7	Low	62 Å²	62	51.2 Å²	51.2	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-37.2	178.1	70.3	0	0	0	0	112.7	V1087 I1088 G1095	V1087-S1091 VanDerWaalsContact O-CB 3.24Å; V1087-S1091 WeakPolarHBondContact O-CB 3.2Å; V1087-S1091 PolarHBondContact O-N 3.34Å; V1087-S1091 PolarHBondContact O-OG 3.43Å; I1088-S1091 WeakPolarHBondContact CA-OG 3.3Å; I1088-S1091 PolarHBondContact O-N 3.26Å; I1088-S1091 PolarHBondContact O-OG 3.42Å; S1091-G1095 PolarHBondContact O-N 3.26Å
1092	M	60.8	Low	57.9	Low	57 Å²	57	51 Å²	51	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-72.5	-40.3	175.3	-69.8	-168.5	-172	0	0	111.7	F1024 W1070 I1088 G1089 Y1090 L1094 G1095 M1096	F1024-M1092 HydrophobicContact CE2-CE 3.78Å; F1024-M1092 HydrophobicContact CE2-SD 3.67Å; F1024-M1092 HydrophobicContact CZ-CE 3.61Å; F1024-M1092 HydrophobicContact CZ-SD 4.02Å; W1070-M1092 HydrophobicContact CE3-CB 4.45Å; W1070-M1092 HydrophobicContact CH2-CB 4.01Å; W1070-M1092 HydrophobicContact CH2-CG 4.18Å; W1070-M1092 HydrophobicContact CH2-SD 3.23Å; W1070-M1092 WeakPolarHBondContact CH2-SD 3.37Å; W1070-M1092 HydrophobicContact CZ2-SD 4.07Å; W1070-M1092 HydrophobicContact CZ3-CB 3.6Å; W1070-M1092 HydrophobicContact CZ3-CG 4.21Å; W1070-M1092 HydrophobicContact CZ3-SD 3.86Å; I1088-M1092 HydrophobicContact CG2-CE 3.8Å; I1088-M1092 WeakPolarHBondContact O-CG 3.36Å; I1088-M1092 PolarHBondContact O-N 2.84Å; G1089-M1092 PolarHBondContact O-N 2.85Å; Y1090-M1092 VanDerWaalsContact C-N 3.31Å; Y1090-M1092 PolarHBondContact O-N 3.24Å; M1092-L1094 VanDerWaalsContact C-N 3.31Å; M1092-L1094 PolarHBondContact O-N 3.35Å; M1092-G1095 CarbonylContact O-C 3.54Å; M1092-G1095 WeakPolarHBondContact O-CA 3.45Å; M1092-G1095 PolarHBondContact O-N 3.47Å; M1092-G1095 VanDerWaalsContact O-N 3.08Å; M1092-M1096 WeakPolarHBondContact O-CG 3.39Å; M1092-M1096 PolarHBondContact O-N 3.39Å
1093	T	66.9	Low	59.1	Low	1 Å²	1	58 Å²	58	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-43.7	172.7	-59.8	0	0	0	0	110.9	A1067 F1068 L1071 G1089 Y1090 G1095 M1096 L1097	A1067-T1093 HydrophobicContact CB-CG2 4.06Å; A1067-T1093 PolarHBondContact O-OG1 2.99Å; F1068-T1093 HydrophobicContact CD1-CG2 4.13Å; F1068-T1093 HydrophobicContact CE1-CG2 4.35Å; L1071-T1093 HydrophobicContact CB-CG2 4.43Å; L1071-T1093 HydrophobicContact CD2-CG2 4.45Å; G1089-T1093 PolarHBondContact O-N 2.65Å; G1089-T1093 PolarHBondContact O-OG1 3.16Å; G1089-T1093 VanDerWaalsContact O-OG1 3.12Å; Y1090-T1093 PolarHBondContact O-N 3.34Å; T1093-G1095 VanDerWaalsContact C-N 3.34Å; T1093-G1095 PolarHBondContact O-N 3.16Å; T1093-M1096 PolarHBondContact O-N 2.95Å; T1093-L1097 HydrophobicContact CG2-CD1 4.1Å; T1093-L1097 WeakPolarHBondContact O-CB 3.23Å; T1093-L1097 WeakPolarHBondContact O-CG 3.42Å; T1093-L1097 PolarHBondContact O-N 3.28Å
1094	L	66.3	Low	60.2	Low	17 Å²	17	50.2 Å²	50.2	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-41.6	172.3	-72.8	175.5	0	0	0	112.3	Y1090 M1092 L1097 R1098 P1104 L1136	Y1090-L1094 HydrophobicContact CD1-CD1 3.76Å; Y1090-L1094 HydrophobicContact CD1-CG 4.24Å; Y1090-L1094 HydrophobicContact CE1-CD1 3.41Å; Y1090-L1094 VanDerWaalsContact CE1-CD1 3.41Å; Y1090-L1094 HydrophobicContact CE1-CD2 4.39Å; Y1090-L1094 HydrophobicContact CE1-CG 3.94Å; Y1090-L1094 WeakPolarHBondContact O-CG 3.26Å; Y1090-L1094 PolarHBondContact O-N 3.05Å; M1092-L1094 VanDerWaalsContact C-N 3.31Å; M1092-L1094 PolarHBondContact O-N 3.35Å; L1094-L1097 PolarHBondContact O-N 2.99Å; L1094-R1098 WeakPolarHBondContact O-CB 3.14Å; L1094-R1098 WeakPolarHBondContact O-CG 3.3Å; L1094-R1098 PolarHBondContact O-N 3.42Å; L1094-P1104 HydrophobicContact CD2-CB 3.74Å; L1094-P1104 HydrophobicContact CD2-CG 3.44Å; L1094-P1104 VanDerWaalsContact CD2-CG 3.44Å; L1094-L1136 HydrophobicContact CD2-CD2 3.82Å
1095	G	60.7	Low	61.1	Low	36 Å²	36	46.2 Å²	46.2	37%	0.371	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-45.2	175.9	0	0	0	0	0	112.9	S1091 M1092 T1093 R1098 A1099	S1091-G1095 PolarHBondContact O-N 3.26Å; M1092-G1095 CarbonylContact O-C 3.54Å; M1092-G1095 WeakPolarHBondContact O-CA 3.45Å; M1092-G1095 PolarHBondContact O-N 3.47Å; M1092-G1095 VanDerWaalsContact O-N 3.08Å; T1093-G1095 VanDerWaalsContact C-N 3.34Å; T1093-G1095 PolarHBondContact O-N 3.16Å; G1095-R1098 PolarHBondContact O-N 3.11Å; G1095-A1099 WeakPolarHBondContact O-CB 3.5Å; G1095-A1099 PolarHBondContact O-N 3.27Å
1096	M	62.1	Low	61.4	Low	42 Å²	42	50.4 Å²	50.4	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-46.2	175.8	-70.5	177.9	-169.8	0	0	111	Y1027 A1067 M1092 T1093 R1098 A1099 L1100	Y1027-M1096 HydrophobicContact CD1-CE 4.44Å; Y1027-M1096 HydrophobicContact CE1-CE 3.76Å; Y1027-M1096 HydrophobicContact CE1-SD 4.38Å; A1067-M1096 HydrophobicContact CB-CB 4.22Å; A1067-M1096 HydrophobicContact CB-SD 4.05Å; M1092-M1096 WeakPolarHBondContact O-CG 3.39Å; M1092-M1096 PolarHBondContact O-N 3.39Å; T1093-M1096 PolarHBondContact O-N 2.95Å; M1096-R1098 PolarHBondContact O-N 2.75Å; M1096-A1099 PolarHBondContact O-N 3.29Å; M1096-L1100 WeakPolarHBondContact O-CG 3.44Å; M1096-L1100 PolarHBondContact O-N 3.5Å; M1096-L1100 VanDerWaalsContact O-N 3.1Å
1097	L	64.9	Low	61.3	Low	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-43.3	177.7	-69.2	169.3	0	0	0	111.9	I1064 F1068 T1093 L1094 A1099 L1100 G1101 L1102 P1104 L1136 L1138	I1064-L1097 HydrophobicContact CB-CD2 4.43Å; I1064-L1097 HydrophobicContact CG1-CD2 4Å; I1064-L1097 HydrophobicContact CG2-CD2 4.12Å; F1068-L1097 HydrophobicContact CE1-CD1 4.22Å; T1093-L1097 HydrophobicContact CG2-CD1 4.1Å; T1093-L1097 WeakPolarHBondContact O-CB 3.23Å; T1093-L1097 WeakPolarHBondContact O-CG 3.42Å; T1093-L1097 PolarHBondContact O-N 3.28Å; L1094-L1097 PolarHBondContact O-N 2.99Å; L1097-A1099 VanDerWaalsContact C-N 3.35Å; L1097-A1099 PolarHBondContact O-N 3.01Å; L1097-L1100 WeakPolarHBondContact O-CB 3.25Å; L1097-L1100 PolarHBondContact O-N 2.66Å; L1097-G1101 PolarHBondContact O-N 3.1Å; L1097-L1102 HydrophobicContact CB-CB 4.45Å; L1097-L1102 HydrophobicContact CD2-CD1 3.79Å; L1097-L1102 WeakPolarHBondContact O-CB 3.43Å; L1097-L1102 PolarHBondContact O-N 2.89Å; L1097-P1104 HydrophobicContact CB-CG 4.2Å; L1097-P1104 HydrophobicContact CD1-CB 4.41Å; L1097-P1104 HydrophobicContact CD1-CG 4.36Å; L1097-L1136 HydrophobicContact CD1-CD1 3.84Å; L1097-L1138 HydrophobicContact CD1-CD1 4.13Å; L1097-L1138 HydrophobicContact CD2-CD1 4.27Å
1098	R	62.2	Low	61.1	Low	138 Å²	138	49.7 Å²	49.7	52%	0.521	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-38.3	175.5	-75.3	175.9	-178.8	164.7	0	113.1	L1094 G1095 M1096 L1100 G1101 L1102	L1094-R1098 WeakPolarHBondContact O-CB 3.14Å; L1094-R1098 WeakPolarHBondContact O-CG 3.3Å; L1094-R1098 PolarHBondContact O-N 3.42Å; G1095-R1098 PolarHBondContact O-N 3.11Å; M1096-R1098 PolarHBondContact O-N 2.75Å; R1098-L1100 PolarHBondContact O-N 3.08Å; R1098-G1101 WeakPolarHBondContact O-CA 3.47Å; R1098-G1101 PolarHBondContact O-N 3.39Å; R1098-L1102 VanDerWaalsContact CA-O 3.3Å; R1098-L1102 WeakPolarHBondContact CA-O 3.27Å
1099	A	56	Low	60.6	Low	47 Å²	47	55 Å²	55	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-26.1	176.4	0	0	0	0	0	112.8	L1035 G1095 M1096 L1097 G1101	L1035-A1099 HydrophobicContact CD1-CB 3.68Å; L1035-A1099 HydrophobicContact CD2-CB 4.22Å; L1035-A1099 HydrophobicContact CG-CB 4.23Å; G1095-A1099 WeakPolarHBondContact O-CB 3.5Å; G1095-A1099 PolarHBondContact O-N 3.27Å; M1096-A1099 PolarHBondContact O-N 3.29Å; L1097-A1099 VanDerWaalsContact C-N 3.35Å; L1097-A1099 PolarHBondContact O-N 3.01Å; A1099-G1101 PolarHBondContact O-N 2.86Å
1100	L	58.1	Low	59.8	Low	23 Å²	23	63.7 Å²	63.7	12%	0.12	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.8	170	-63.7	170.2	0	0	0	113.3	I1038 A1063 I1064 M1096 L1097 R1098	I1038-L1100 HydrophobicContact CD1-CD2 3.66Å; A1063-L1100 HydrophobicContact CB-CD1 3.67Å; A1063-L1100 HydrophobicContact CB-CD2 3.76Å; A1063-L1100 HydrophobicContact CB-CG 4.34Å; I1064-L1100 HydrophobicContact CG1-CD1 3.88Å; M1096-L1100 WeakPolarHBondContact O-CG 3.44Å; M1096-L1100 PolarHBondContact O-N 3.5Å; M1096-L1100 VanDerWaalsContact O-N 3.1Å; L1097-L1100 WeakPolarHBondContact O-CB 3.25Å; L1097-L1100 PolarHBondContact O-N 2.66Å; R1098-L1100 PolarHBondContact O-N 3.08Å
1101	G	61.3	Low	59	Low	57 Å²	57	67 Å²	67	59%	0.588	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.8	-178.4	0	0	0	0	0	114.7	L1097 R1098 A1099	L1097-G1101 PolarHBondContact O-N 3.1Å; R1098-G1101 WeakPolarHBondContact O-CA 3.47Å; R1098-G1101 PolarHBondContact O-N 3.39Å; A1099-G1101 PolarHBondContact O-N 2.86Å
1102	L	64.4	Low	58.4	Low	40 Å²	40	67.7 Å²	67.7	21%	0.209	39%	0.39	C	S	.	.			trans	-93.3	143.2	176	-59.2	166.9	0	0	0	110.8	I1064 L1097 R1098 P1104 L1138	I1064-L1102 HydrophobicContact CD1-CD1 3.63Å; I1064-L1102 HydrophobicContact CG1-CD1 3.88Å; L1097-L1102 HydrophobicContact CB-CB 4.45Å; L1097-L1102 HydrophobicContact CD2-CD1 3.79Å; L1097-L1102 WeakPolarHBondContact O-CB 3.43Å; L1097-L1102 PolarHBondContact O-N 2.89Å; R1098-L1102 VanDerWaalsContact CA-O 3.3Å; R1098-L1102 WeakPolarHBondContact CA-O 3.27Å; L1102-P1104 VanDerWaalsContact C-CD 3.43Å; L1102-P1104 WeakPolarHBondContact O-CD 3.45Å; L1102-L1138 HydrophobicContact CB-CD2 4.18Å; L1102-L1138 HydrophobicContact CD1-CD2 4.12Å; L1102-L1138 HydrophobicContact CD2-CD2 4.33Å; L1102-L1138 HydrophobicContact CG-CD2 4.45Å
1103	E	63.6	Low	58.1	Low	190 Å²	190	67.9 Å²	67.9	89%	0.888	39%	0.391	S	S	*	.			trans	-108.7	81	175.8	-68.6	-171.3	167.5	0	0	111.2
1104	P	67.7	Low	57.6	Low	9 Å²	9	71.9 Å²	71.9	6%	0.058	41%	0.412	C	S	.	.			trans	-69.4	147.4	179.2	27.2	-34.6	0	0	0	112.4	L1094 L1097 L1102 T1106 L1136	L1094-P1104 HydrophobicContact CD2-CB 3.74Å; L1094-P1104 HydrophobicContact CD2-CG 3.44Å; L1094-P1104 VanDerWaalsContact CD2-CG 3.44Å; L1097-P1104 HydrophobicContact CB-CG 4.2Å; L1097-P1104 HydrophobicContact CD1-CB 4.41Å; L1097-P1104 HydrophobicContact CD1-CG 4.36Å; L1102-P1104 VanDerWaalsContact C-CD 3.43Å; L1102-P1104 WeakPolarHBondContact O-CD 3.45Å; P1104-T1106 PolarHBondContact O-N 3.46Å; P1104-L1136 WeakPolarHBondContact CA-O 3.5Å; P1104-L1136 HydrophobicContact CB-CB 4.12Å; P1104-L1136 HydrophobicContact CB-CD2 4.06Å
1105	V	64.2	Low	57.3	Low	66 Å²	66	71.2 Å²	71.2	40%	0.4	41%	0.409	S	S	.	.			trans	-63.8	121.6	175	-177.8	0	0	0	0	109.8	L1136	V1105-L1136 PolarHBondContact N-O 3Å; V1105-L1136 VanDerWaalsContact N-O 3.09Å
1106	T	55.3	Low	57	Low	88 Å²	88	72 Å²	72	54%	0.54	40%	0.403	S	S	.	.			trans	-78.4	-20.5	-172.9	48.9	0	0	0	0	114.8	P1104	P1104-T1106 PolarHBondContact O-N 3.46Å
1107	A	55.3	Low	56.5	Low	44 Å²	44	73.5 Å²	73.5	36%	0.364	41%	0.41	S	S	.	.			trans	-101.7	93	-170.8	0	0	0	0	0	112.5	L1109	A1107-L1109 PolarHBondContact O-N 3.41Å
1108	L	53.2	Low	56	Low	47 Å²	47	74.2 Å²	74.2	25%	0.246	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-55.8	-37	173.1	-77.5	161.6	0	0	0	113	F1086 Y1090 K1110 H1111 L1115 V1135	F1086-L1108 HydrophobicContact CE1-CD1 4.24Å; Y1090-L1108 HydrophobicContact CD1-CD1 3.93Å; Y1090-L1108 HydrophobicContact CD2-CD1 4.29Å; Y1090-L1108 HydrophobicContact CE1-CD1 3.49Å; Y1090-L1108 VanDerWaalsContact CE1-CD1 3.49Å; Y1090-L1108 HydrophobicContact CE1-CG 3.95Å; Y1090-L1108 HydrophobicContact CE2-CD1 3.92Å; Y1090-L1108 HydrophobicContact CE2-CD2 3.93Å; Y1090-L1108 HydrophobicContact CE2-CG 4.17Å; Y1090-L1108 HydrophobicContact CG-CD1 4.31Å; Y1090-L1108 WeakPolarHBondContact OH-CG 3.41Å; L1108-K1110 PolarHBondContact O-N 2.77Å; L1108-H1111 PolarHBondContact O-N 3.39Å; L1108-L1115 HydrophobicContact CD2-CD1 3.42Å; L1108-L1115 VanDerWaalsContact CD2-CD1 3.42Å; L1108-L1115 HydrophobicContact CD2-CG 4.05Å; L1108-V1135 HydrophobicContact CD2-CG1 3.65Å
1109	L	45.5	Very low	55.5	Low	173 Å²	173	67.6 Å²	67.6	91%	0.906	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-52.7	-22	-176.3	-88.5	150.3	0	0	0	114.8	A1107	A1107-L1109 PolarHBondContact O-N 3.41Å
1110	K	42.8	Very low	55	Low	183 Å²	183	67.7 Å²	67.7	80%	0.796	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-76.4	-20.5	178.8	-77.4	-172.9	175.7	-178.4	0	114.4	L1108	L1108-K1110 PolarHBondContact O-N 2.77Å
1111	H	46.9	Very low	54.4	Low	86 Å²	86	69.1 Å²	69.1	40%	0.398	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-17.2	-176.5	-73.6	85.3	0	0	0	113.6	L1108 I1113 V1135	L1108-H1111 PolarHBondContact O-N 3.39Å; H1111-I1113 HydrophobicContact CB-CB 4.39Å; H1111-I1113 HydrophobicContact CB-CD1 4.18Å; H1111-I1113 HydrophobicContact CB-CG1 4.29Å; H1111-I1113 PolarHBondContact O-N 2.97Å; H1111-V1135 PolarHBondContact CE1-O 3.13Å; H1111-V1135 VanDerWaalsContact CE1-O 3.29Å
1112	G	49.1	Very low	53.9	Low	78 Å²	78	66.6 Å²	66.6	80%	0.804	36%	0.36	S	S	*	.			trans	64.8	14.1	-175.4	0	0	0	0	0	114.1
1113	I	53.4	Low	53	Low	60 Å²	60	66 Å²	66	31%	0.308	36%	0.364	S	S	.	.			trans	-105.3	124.7	-177.4	-63.4	168.8	0	0	0	108.5	H1111 L1115 E1118 I1131 V1135	H1111-I1113 HydrophobicContact CB-CB 4.39Å; H1111-I1113 HydrophobicContact CB-CD1 4.18Å; H1111-I1113 HydrophobicContact CB-CG1 4.29Å; H1111-I1113 PolarHBondContact O-N 2.97Å; I1113-L1115 PolarHBondContact O-N 3.39Å; I1113-E1118 HydrophobicContact CG2-CG 3.45Å; I1113-E1118 VanDerWaalsContact CG2-CG 3.45Å; I1113-I1131 HydrophobicContact CG2-CG2 4.37Å; I1113-V1135 HydrophobicContact CD1-CG2 3.98Å
1114	D	57.6	Low	52.4	Low	86 Å²	86	57.8 Å²	57.8	46%	0.46	33%	0.327	S	S	.	.			trans	-89.4	96.2	171.6	-173.4	-8.4	0	0	0	109.8	E1116 M1117 E1118	D1114-E1116 PolarHBondContact O-N 2.95Å; D1114-E1116 VanDerWaalsContact O-N 3.1Å; D1114-E1116 WeakPolarHBondContact OD1-CB 3.43Å; D1114-E1116 PolarHBondContact OD1-N 3.13Å; D1114-M1117 HydrophobicContact CB-CB 4.22Å; D1114-M1117 HydrophobicContact CB-CG 4.25Å; D1114-M1117 PolarHBondContact O-N 3.26Å; D1114-E1118 WeakPolarHBondContact O-CG 3.39Å; D1114-E1118 PolarHBondContact O-N 3.49Å
1115	L	59.7	Low	51.5	Low	2 Å²	2	58.2 Å²	58.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-24.7	-179.9	-77.3	178.3	0	0	0	113.3	F1086 Y1090 L1108 I1113 S1119 F1128 I1131 V1135	F1086-L1115 HydrophobicContact CE1-CB 4.42Å; F1086-L1115 HydrophobicContact CE2-CB 3.74Å; F1086-L1115 HydrophobicContact CZ-CB 3.4Å; F1086-L1115 VanDerWaalsContact CZ-CB 3.4Å; F1086-L1115 HydrophobicContact CZ-CD1 4.08Å; F1086-L1115 HydrophobicContact CZ-CG 4.39Å; Y1090-L1115 HydrophobicContact CD2-CD1 4.15Å; Y1090-L1115 HydrophobicContact CE2-CD1 3.74Å; L1108-L1115 HydrophobicContact CD2-CD1 3.42Å; L1108-L1115 VanDerWaalsContact CD2-CD1 3.42Å; L1108-L1115 HydrophobicContact CD2-CG 4.05Å; I1113-L1115 PolarHBondContact O-N 3.39Å; L1115-S1119 PolarHBondContact O-N 3.44Å; L1115-S1119 VanDerWaalsContact O-N 3.17Å; L1115-F1128 HydrophobicContact CB-CE2 4.4Å; L1115-F1128 HydrophobicContact CD2-CE2 4.1Å; L1115-F1128 VanDerWaalsContact O-CE2 3.23Å; L1115-F1128 WeakPolarHBondContact O-CE2 3.48Å; L1115-I1131 HydrophobicContact CD2-CG2 3.91Å; L1115-V1135 HydrophobicContact CD1-CG1 4.32Å; L1115-V1135 HydrophobicContact CD2-CG2 4.38Å
1116	E	54.6	Low	51	Low	54 Å²	54	56.5 Å²	56.5	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-70.7	-42.4	176.5	-168.8	169.8	-171.5	0	0	111.1	P1079 F1086 D1114 S1119 I1120	P1079-E1116 WeakPolarHBondContact CB-OE1 3.5Å; P1079-E1116 HydrophobicContact CG-CG 4.29Å; P1079-E1116 WeakPolarHBondContact CG-OE1 2.89Å; F1086-E1116 HydrophobicContact CB-CB 4.42Å; F1086-E1116 HydrophobicContact CB-CG 4.25Å; F1086-E1116 HydrophobicContact CD2-CB 3.77Å; F1086-E1116 HydrophobicContact CD2-CG 4.15Å; F1086-E1116 HydrophobicContact CE2-CB 4.28Å; F1086-E1116 HydrophobicContact CG-CB 4.02Å; F1086-E1116 HydrophobicContact CG-CG 4.34Å; D1114-E1116 PolarHBondContact O-N 2.95Å; D1114-E1116 VanDerWaalsContact O-N 3.1Å; D1114-E1116 WeakPolarHBondContact OD1-CB 3.43Å; D1114-E1116 PolarHBondContact OD1-N 3.13Å; E1116-S1119 PolarHBondContact O-OG 3.45Å; E1116-I1120 WeakPolarHBondContact O-CG1 3.43Å
1117	M	50.3	Low	51.2	Low	73 Å²	73	54.2 Å²	54.2	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-69.1	-39.8	173.7	-68.3	-68.8	-90	0	0	111.4	D1114 S1119 I1120 F1121	D1114-M1117 HydrophobicContact CB-CB 4.22Å; D1114-M1117 HydrophobicContact CB-CG 4.25Å; D1114-M1117 PolarHBondContact O-N 3.26Å; M1117-S1119 VanDerWaalsContact C-N 3.34Å; M1117-S1119 PolarHBondContact O-N 2.94Å; M1117-I1120 WeakPolarHBondContact O-CB 3.48Å; M1117-I1120 PolarHBondContact O-N 3.07Å; M1117-F1121 HydrophobicContact CB-CD2 4.35Å; M1117-F1121 HydrophobicContact CB-CE2 4.36Å; M1117-F1121 HydrophobicContact CE-CE2 3.63Å; M1117-F1121 HydrophobicContact CE-CZ 4.32Å; M1117-F1121 WeakPolarHBondContact O-CD2 3.28Å; M1117-F1121 PolarHBondContact O-N 2.86Å; M1117-F1121 HydrophobicContact SD-CE2 3.99Å
1118	E	54.2	Low	51.5	Low	14 Å²	14	52.1 Å²	52.1	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-45.3	177.3	-74.5	-60.4	155.2	0	0	112.4	I532 I1113 D1114 I1120 F1121 I1122 F1128 I1131	I532-E1118 WeakPolarHBondContact CD1-OE2 3.34Å; I532-E1118 VanDerWaalsContact CG2-OE1 3.23Å; I532-E1118 WeakPolarHBondContact CG2-OE1 3.49Å; I1113-E1118 HydrophobicContact CG2-CG 3.45Å; I1113-E1118 VanDerWaalsContact CG2-CG 3.45Å; D1114-E1118 WeakPolarHBondContact O-CG 3.39Å; D1114-E1118 PolarHBondContact O-N 3.49Å; E1118-I1120 VanDerWaalsContact C-N 3.28Å; E1118-I1120 PolarHBondContact O-N 3.27Å; E1118-F1121 PolarHBondContact O-N 3.37Å; E1118-I1122 HydrophobicContact CB-CD1 4.01Å; E1118-I1122 WeakPolarHBondContact O-CB 2.99Å; E1118-I1122 WeakPolarHBondContact O-CD1 3.32Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.47Å; E1118-I1122 PolarHBondContact O-N 3.36Å; E1118-F1128 HydrophobicContact CB-CD2 4.28Å; E1118-F1128 HydrophobicContact CB-CE2 4.26Å; E1118-I1131 VanDerWaalsContact OE2-CD1 3.27Å; E1118-I1131 WeakPolarHBondContact OE2-CD1 3.47Å
1119	S	52.7	Low	52	Low	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-37.2	179.8	71.1	0	0	0	0	112.6	Y1072 S1075 L1115 E1116 M1117	Y1072-S1119 WeakPolarHBondContact CE2-O 3.47Å; Y1072-S1119 PolarHBondContact OH-O 3.5Å; S1075-S1119 WeakPolarHBondContact CB-OG 3.32Å; S1075-S1119 PolarHBondContact O-OG 3.01Å; S1075-S1119 WeakPolarHBondContact OG-CB 3.17Å; S1075-S1119 PolarHBondContact OG-OG 3.3Å; L1115-S1119 PolarHBondContact O-N 3.44Å; L1115-S1119 VanDerWaalsContact O-N 3.17Å; E1116-S1119 PolarHBondContact O-OG 3.45Å; M1117-S1119 VanDerWaalsContact C-N 3.34Å; M1117-S1119 PolarHBondContact O-N 2.94Å
1120	I	45.9	Very low	53	Low	48 Å²	48	44.1 Å²	44.1	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-43.9	178.6	-63.1	168.3	0	0	0	110.5	E1116 M1117 E1118	E1116-I1120 WeakPolarHBondContact O-CG1 3.43Å; M1117-I1120 WeakPolarHBondContact O-CB 3.48Å; M1117-I1120 PolarHBondContact O-N 3.07Å; E1118-I1120 VanDerWaalsContact C-N 3.28Å; E1118-I1120 PolarHBondContact O-N 3.27Å
1121	F	44.9	Very low	54.1	Low	53 Å²	53	37.2 Å²	37.2	23%	0.232	22%	0.216	C	C	.	.	H	α-helix	trans	-89.6	-29.1	-171.9	-68.3	-63.1	0	0	0	114.6	H529 L531 I532 R772 M1117 E1118 G1123	H529-F1121 PolarHBondContact CE1-O 3.2Å; H529-F1121 PolarHBondContact ND1-O 3.27Å; L531-F1121 HydrophobicContact CB-CD2 4.48Å; L531-F1121 HydrophobicContact CB-CG 4.47Å; L531-F1121 HydrophobicContact CD1-CD1 3.7Å; L531-F1121 HydrophobicContact CD1-CE1 3.22Å; L531-F1121 HydrophobicContact CD1-CE2 4.2Å; L531-F1121 HydrophobicContact CD1-CG 4.38Å; L531-F1121 HydrophobicContact CD1-CZ 3.52Å; I532-F1121 HydrophobicContact CD1-CB 3.82Å; I532-F1121 HydrophobicContact CG1-CB 4.3Å; R772-F1121 PolarHBondContact NH2-O 3.49Å; M1117-F1121 HydrophobicContact CB-CD2 4.35Å; M1117-F1121 HydrophobicContact CB-CE2 4.36Å; M1117-F1121 HydrophobicContact CE-CE2 3.63Å; M1117-F1121 HydrophobicContact CE-CZ 4.32Å; M1117-F1121 WeakPolarHBondContact O-CD2 3.28Å; M1117-F1121 PolarHBondContact O-N 2.86Å; M1117-F1121 HydrophobicContact SD-CE2 3.99Å; E1118-F1121 PolarHBondContact O-N 3.37Å; F1121-G1123 VanDerWaalsContact C-N 3.27Å; F1121-G1123 PolarHBondContact O-N 2.96Å
1122	I	50.9	Low	55.2	Low	5 Å²	5	33.1 Å²	33.1	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-35.4	-179.5	-82.8	169.8	0	0	0	111.9	H529 I532 E1118 S1124 Q1127 F1128 I1131	H529-I1122 VanDerWaalsContact CE1-CA 3.46Å; H529-I1122 WeakPolarHBondContact CE1-CA 3.48Å; H529-I1122 PolarHBondContact CE1-O 3.21Å; I532-I1122 HydrophobicContact CD1-CG1 4.24Å; E1118-I1122 HydrophobicContact CB-CD1 4.01Å; E1118-I1122 WeakPolarHBondContact O-CB 2.99Å; E1118-I1122 WeakPolarHBondContact O-CD1 3.32Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.47Å; E1118-I1122 PolarHBondContact O-N 3.36Å; I1122-S1124 WeakPolarHBondContact CG2-O 3.32Å; I1122-S1124 PolarHBondContact O-N 3.46Å; I1122-Q1127 HydrophobicContact CG2-CB 3.4Å; I1122-Q1127 VanDerWaalsContact CG2-CB 3.4Å; I1122-Q1127 PolarHBondContact O-OE1 2.92Å; I1122-F1128 HydrophobicContact CD1-CB 4Å; I1122-F1128 HydrophobicContact CD1-CD2 4.01Å; I1122-F1128 HydrophobicContact CG2-CB 4.16Å; I1122-I1131 HydrophobicContact CD1-CB 4.42Å; I1122-I1131 HydrophobicContact CD1-CD1 3.31Å; I1122-I1131 HydrophobicContact CD1-CG1 3.96Å; I1122-I1131 HydrophobicContact CG1-CD1 4.12Å
1123	G	45.2	Very low	56.2	Low	28 Å²	28	30 Å²	30	29%	0.289	16%	0.161	S	C	.	.			trans	67.9	-2.7	177.3	0	0	0	0	0	115.6	F1121	F1121-G1123 VanDerWaalsContact C-N 3.27Å; F1121-G1123 PolarHBondContact O-N 2.96Å
1124	S	50.3	Low	57	Low	16 Å²	16	32.2 Å²	32.2	11%	0.112	17%	0.17	C	C	.	.			trans	-132	130.8	170.2	76.6	0	0	0	0	112.5	I1122 T1126 Q1127 F1128	I1122-S1124 WeakPolarHBondContact CG2-O 3.32Å; I1122-S1124 PolarHBondContact O-N 3.46Å; S1124-T1126 PolarHBondContact O-N 3.29Å; S1124-T1126 PolarHBondContact OG-OG1 2.83Å; S1124-Q1127 PolarHBondContact O-N 3.35Å; S1124-Q1127 VanDerWaalsContact OG-CB 3.29Å; S1124-Q1127 WeakPolarHBondContact OG-CB 3.28Å; S1124-Q1127 WeakPolarHBondContact OG-CG 3.39Å; S1124-Q1127 PolarHBondContact OG-N 3.01Å; S1124-Q1127 PolarHBondContact OG-OE1 3.14Å; S1124-F1128 PolarHBondContact O-N 3.43Å; S1124-F1128 VanDerWaalsContact O-N 3.14Å
1125	P	49.4	Very low	57.6	Low	19 Å²	19	28.4 Å²	28.4	12%	0.123	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-26.6	173.7	-19.1	26.6	0	0	0	112.4	Y1072 G1129	Y1072-P1125 HydrophobicContact CD1-CB 3.93Å; Y1072-P1125 HydrophobicContact CD1-CG 3.82Å; Y1072-P1125 HydrophobicContact CE1-CB 4.13Å; Y1072-P1125 HydrophobicContact CE1-CG 3.61Å; Y1072-P1125 HydrophobicContact CG-CB 4.28Å; P1125-G1129 PolarHBondContact O-N 2.99Å
1126	T	54.8	Low	58.1	Low	30 Å²	30	28.3 Å²	28.3	18%	0.184	15%	0.15	C	C	.	.	H	α-helix	trans	-74.4	-48.9	-175.5	53	0	0	0	0	113.1	S1124 F1128 G1129 N1130 I1146 L1148	S1124-T1126 PolarHBondContact O-N 3.29Å; S1124-T1126 PolarHBondContact OG-OG1 2.83Å; T1126-F1128 VanDerWaalsContact C-N 3.25Å; T1126-F1128 PolarHBondContact O-N 3.38Å; T1126-G1129 PolarHBondContact O-N 3.44Å; T1126-N1130 PolarHBondContact O-N 3.24Å; T1126-N1130 PolarHBondContact O-ND2 2.97Å; T1126-I1146 HydrophobicContact CG2-CG2 3.94Å; T1126-I1146 WeakPolarHBondContact CG2-O 3.43Å; T1126-I1146 WeakPolarHBondContact O-CG2 3.49Å; T1126-L1148 HydrophobicContact CG2-CB 4.35Å; T1126-L1148 WeakPolarHBondContact CG2-O 3.49Å
1127	Q	59.1	Low	58.7	Low	40 Å²	40	27.8 Å²	27.8	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-36.5	172	-74.7	165.6	-35.7	0	0	110.4	N526 I1122 S1124 G1129 N1130 I1131	N526-Q1127 PolarHBondContact O-NE2 3.24Å; N526-Q1127 PolarHBondContact O-OE1 3.47Å; I1122-Q1127 HydrophobicContact CG2-CB 3.4Å; I1122-Q1127 VanDerWaalsContact CG2-CB 3.4Å; I1122-Q1127 PolarHBondContact O-OE1 2.92Å; S1124-Q1127 PolarHBondContact O-N 3.35Å; S1124-Q1127 VanDerWaalsContact OG-CB 3.29Å; S1124-Q1127 WeakPolarHBondContact OG-CB 3.28Å; S1124-Q1127 WeakPolarHBondContact OG-CG 3.39Å; S1124-Q1127 PolarHBondContact OG-N 3.01Å; S1124-Q1127 PolarHBondContact OG-OE1 3.14Å; Q1127-G1129 VanDerWaalsContact C-N 3.34Å; Q1127-G1129 PolarHBondContact O-N 3.47Å; Q1127-N1130 WeakPolarHBondContact O-CA 3.32Å; Q1127-N1130 WeakPolarHBondContact O-CB 3.18Å; Q1127-N1130 PolarHBondContact O-N 3.3Å; Q1127-I1131 WeakPolarHBondContact O-CG1 3.45Å; Q1127-I1131 PolarHBondContact O-N 3.14Å
1128	F	60.7	Low	59.6	Low	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-42.6	176	-179.7	-104.7	0	0	0	111.5	L1071 Y1072 L1115 E1118 I1122 S1124 T1126 N1130 I1131 C1132	L1071-F1128 HydrophobicContact CB-CE1 4.09Å; L1071-F1128 HydrophobicContact CD2-CE1 4.07Å; L1071-F1128 HydrophobicContact CD2-CZ 4.01Å; L1071-F1128 HydrophobicContact CG-CE1 3.91Å; L1071-F1128 HydrophobicContact CG-CZ 3.95Å; Y1072-F1128 HydrophobicContact CD2-CB 3.52Å; Y1072-F1128 AromaticContact CD2-CD1 3.5Å; Y1072-F1128 HydrophobicContact CD2-CD1 3.5Å; Y1072-F1128 HydrophobicContact CD2-CD2 4.18Å; Y1072-F1128 HydrophobicContact CD2-CE1 4.2Å; Y1072-F1128 AromaticContact CD2-CG 3.45Å; Y1072-F1128 HydrophobicContact CD2-CG 3.45Å; Y1072-F1128 VanDerWaalsContact CD2-CG 3.45Å; Y1072-F1128 HydrophobicContact CE2-CB 3.85Å; Y1072-F1128 HydrophobicContact CE2-CG 4.16Å; Y1072-F1128 AromaticContact CG-CD1 4Å; Y1072-F1128 HydrophobicContact CG-CD1 4Å; Y1072-F1128 HydrophobicContact CG-CG 4.37Å; L1115-F1128 HydrophobicContact CB-CE2 4.4Å; L1115-F1128 HydrophobicContact CD2-CE2 4.1Å; L1115-F1128 VanDerWaalsContact O-CE2 3.23Å; L1115-F1128 WeakPolarHBondContact O-CE2 3.48Å; E1118-F1128 HydrophobicContact CB-CD2 4.28Å; E1118-F1128 HydrophobicContact CB-CE2 4.26Å; I1122-F1128 HydrophobicContact CD1-CB 4Å; I1122-F1128 HydrophobicContact CD1-CD2 4.01Å; I1122-F1128 HydrophobicContact CG2-CB 4.16Å; S1124-F1128 PolarHBondContact O-N 3.43Å; S1124-F1128 VanDerWaalsContact O-N 3.14Å; T1126-F1128 VanDerWaalsContact C-N 3.25Å; T1126-F1128 PolarHBondContact O-N 3.38Å; F1128-N1130 VanDerWaalsContact C-N 3.29Å; F1128-N1130 PolarHBondContact O-N 3.39Å; F1128-I1131 PolarHBondContact O-N 2.75Å; F1128-C1132 WeakPolarHBondContact CE1-SG 3.41Å; F1128-C1132 WeakPolarHBondContact CZ-SG 3.5Å; F1128-C1132 WeakPolarHBondContact O-CB 3.42Å; F1128-C1132 PolarHBondContact O-N 3.06Å; F1128-C1132 PolarHBondContact O-SG 3.34Å
1129	G	63.7	Low	59.9	Low	2 Å²	2	29 Å²	29	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-38	171.1	0	0	0	0	0	112.6	P1125 T1126 Q1127 R1133	P1125-G1129 PolarHBondContact O-N 2.99Å; T1126-G1129 PolarHBondContact O-N 3.44Å; Q1127-G1129 VanDerWaalsContact C-N 3.34Å; Q1127-G1129 PolarHBondContact O-N 3.47Å; G1129-R1133 VanDerWaalsContact O-CB 3.26Å; G1129-R1133 WeakPolarHBondContact O-CB 3.38Å; G1129-R1133 PolarHBondContact O-N 3.33Å
1130	N	65.9	Low	60.1	Low	49 Å²	49	38.4 Å²	38.4	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-45.6	174.3	-74.3	-41.8	0	0	0	111.8	T1126 Q1127 F1128 R1133 E1134 I1146	T1126-N1130 PolarHBondContact O-N 3.24Å; T1126-N1130 PolarHBondContact O-ND2 2.97Å; Q1127-N1130 WeakPolarHBondContact O-CA 3.32Å; Q1127-N1130 WeakPolarHBondContact O-CB 3.18Å; Q1127-N1130 PolarHBondContact O-N 3.3Å; F1128-N1130 VanDerWaalsContact C-N 3.29Å; F1128-N1130 PolarHBondContact O-N 3.39Å; N1130-R1133 WeakPolarHBondContact O-CB 3.42Å; N1130-R1133 PolarHBondContact O-N 3.41Å; N1130-E1134 PolarHBondContact O-N 2.94Å; N1130-I1146 WeakPolarHBondContact OD1-CD1 3.36Å
1131	I	67.5	Low	60.5	Low	39 Å²	39	38.6 Å²	38.6	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-46.7	177	-63.1	-165.8	0	0	0	110.2	I1113 L1115 E1118 I1122 Q1127 F1128 R1133 E1134 V1135	I1113-I1131 HydrophobicContact CG2-CG2 4.37Å; L1115-I1131 HydrophobicContact CD2-CG2 3.91Å; E1118-I1131 VanDerWaalsContact OE2-CD1 3.27Å; E1118-I1131 WeakPolarHBondContact OE2-CD1 3.47Å; I1122-I1131 HydrophobicContact CD1-CB 4.42Å; I1122-I1131 HydrophobicContact CD1-CD1 3.31Å; I1122-I1131 HydrophobicContact CD1-CG1 3.96Å; I1122-I1131 HydrophobicContact CG1-CD1 4.12Å; Q1127-I1131 WeakPolarHBondContact O-CG1 3.45Å; Q1127-I1131 PolarHBondContact O-N 3.14Å; F1128-I1131 PolarHBondContact O-N 2.75Å; I1131-R1133 PolarHBondContact O-N 2.81Å; I1131-E1134 PolarHBondContact O-N 3.42Å; I1131-E1134 VanDerWaalsContact O-N 3.12Å; I1131-V1135 HydrophobicContact CG2-CG2 3.93Å; I1131-V1135 WeakPolarHBondContact O-CB 3.33Å; I1131-V1135 VanDerWaalsContact O-CG2 3.29Å; I1131-V1135 WeakPolarHBondContact O-CG2 3.43Å; I1131-V1135 PolarHBondContact O-N 3.12Å
1132	C	70.4	Confident	60.9	Low	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.8	-42.3	175.1	-71.3	0	0	0	0	111.3	F1068 F1128 E1134 V1135 L1136	F1068-C1132 HydrophobicContact CD1-CB 3.71Å; F1068-C1132 HydrophobicContact CE1-CB 3.67Å; F1068-C1132 HydrophobicContact CE2-CB 4.49Å; F1068-C1132 HydrophobicContact CG-CB 4.19Å; F1068-C1132 HydrophobicContact CZ-CB 4.08Å; F1128-C1132 WeakPolarHBondContact CE1-SG 3.41Å; F1128-C1132 WeakPolarHBondContact CZ-SG 3.5Å; F1128-C1132 WeakPolarHBondContact O-CB 3.42Å; F1128-C1132 PolarHBondContact O-N 3.06Å; F1128-C1132 PolarHBondContact O-SG 3.34Å; C1132-E1134 PolarHBondContact O-N 3.25Å; C1132-V1135 PolarHBondContact O-N 3.08Å; C1132-L1136 HydrophobicContact CB-CD1 4.35Å; C1132-L1136 WeakPolarHBondContact O-CB 3.31Å; C1132-L1136 WeakPolarHBondContact O-CD1 3.01Å; C1132-L1136 WeakPolarHBondContact O-CG 3.27Å; C1132-L1136 PolarHBondContact O-N 2.63Å
1133	R	69.1	Low	60.7	Low	11 Å²	11	46.8 Å²	46.8	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-42.2	178	-169.3	-173.9	72.1	144.5	20.3	112.3	F1068 G1129 N1130 I1131 G1137 L1138 L1141 K1143	F1068-R1133 HydrophobicContact CE2-CB 4.33Å; G1129-R1133 VanDerWaalsContact O-CB 3.26Å; G1129-R1133 WeakPolarHBondContact O-CB 3.38Å; G1129-R1133 PolarHBondContact O-N 3.33Å; N1130-R1133 WeakPolarHBondContact O-CB 3.42Å; N1130-R1133 PolarHBondContact O-N 3.41Å; I1131-R1133 PolarHBondContact O-N 2.81Å; R1133-G1137 PolarHBondContact O-N 2.92Å; R1133-L1138 HydrophobicContact CG-CB 3.65Å; R1133-L1138 WeakPolarHBondContact CG-O 3.31Å; R1133-L1138 PolarHBondContact O-N 3.42Å; R1133-L1141 PolarHBondContact NH1-O 3.45Å; R1133-K1143 VanDerWaalsContact NH2-CG 3.35Å
1134	E	69.6	Low	60.6	Low	108 Å²	108	50 Å²	50	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-68	-49.7	176.7	-72.6	-177.5	176.7	0	0	111.3	N1130 I1131 C1132 L1136 G1137	N1130-E1134 PolarHBondContact O-N 2.94Å; I1131-E1134 PolarHBondContact O-N 3.42Å; I1131-E1134 VanDerWaalsContact O-N 3.12Å; C1132-E1134 PolarHBondContact O-N 3.25Å; E1134-L1136 VanDerWaalsContact C-N 3.31Å; E1134-L1136 PolarHBondContact O-N 3.44Å; E1134-G1137 PolarHBondContact O-N 3.01Å; E1134-G1137 VanDerWaalsContact O-N 3.12Å
1135	V	69.7	Low	60.1	Low	5 Å²	5	49.9 Å²	49.9	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-36.9	-179.2	172.7	0	0	0	0	112.3	L1108 H1111 I1113 L1115 I1131 C1132 G1137	L1108-V1135 HydrophobicContact CD2-CG1 3.65Å; H1111-V1135 PolarHBondContact CE1-O 3.13Å; H1111-V1135 VanDerWaalsContact CE1-O 3.29Å; I1113-V1135 HydrophobicContact CD1-CG2 3.98Å; L1115-V1135 HydrophobicContact CD1-CG1 4.32Å; L1115-V1135 HydrophobicContact CD2-CG2 4.38Å; I1131-V1135 HydrophobicContact CG2-CG2 3.93Å; I1131-V1135 WeakPolarHBondContact O-CB 3.33Å; I1131-V1135 VanDerWaalsContact O-CG2 3.29Å; I1131-V1135 WeakPolarHBondContact O-CG2 3.43Å; I1131-V1135 PolarHBondContact O-N 3.12Å; C1132-V1135 PolarHBondContact O-N 3.08Å; V1135-G1137 VanDerWaalsContact C-N 3.32Å
1136	L	70.7	Confident	59.5	Low	1 Å²	1	50 Å²	50	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.4	179.9	-64.6	169	0	0	0	113.7	F1068 Y1090 L1094 L1097 P1104 V1105 C1132 E1134 L1138	F1068-L1136 HydrophobicContact CE1-CD1 3.58Å; F1068-L1136 HydrophobicContact CZ-CD1 4.15Å; Y1090-L1136 HydrophobicContact CE2-CD2 3.93Å; Y1090-L1136 WeakPolarHBondContact OH-CD2 3.32Å; L1094-L1136 HydrophobicContact CD2-CD2 3.82Å; L1097-L1136 HydrophobicContact CD1-CD1 3.84Å; P1104-L1136 WeakPolarHBondContact CA-O 3.5Å; P1104-L1136 HydrophobicContact CB-CB 4.12Å; P1104-L1136 HydrophobicContact CB-CD2 4.06Å; V1105-L1136 PolarHBondContact N-O 3Å; V1105-L1136 VanDerWaalsContact N-O 3.09Å; C1132-L1136 HydrophobicContact CB-CD1 4.35Å; C1132-L1136 WeakPolarHBondContact O-CB 3.31Å; C1132-L1136 WeakPolarHBondContact O-CD1 3.01Å; C1132-L1136 WeakPolarHBondContact O-CG 3.27Å; C1132-L1136 PolarHBondContact O-N 2.63Å; E1134-L1136 VanDerWaalsContact C-N 3.31Å; E1134-L1136 PolarHBondContact O-N 3.44Å; L1136-L1138 HydrophobicContact CB-CD1 3.89Å; L1136-L1138 HydrophobicContact CB-CG 4.05Å; L1136-L1138 HydrophobicContact CD1-CD1 4.21Å
1137	G	68	Low	58.4	Low	43 Å²	43	53 Å²	53	44%	0.443	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	22	179.4	0	0	0	0	0	114.7	R1133 E1134 V1135 V1139	R1133-G1137 PolarHBondContact O-N 2.92Å; E1134-G1137 PolarHBondContact O-N 3.01Å; E1134-G1137 VanDerWaalsContact O-N 3.12Å; V1135-G1137 VanDerWaalsContact C-N 3.32Å; G1137-V1139 PolarHBondContact O-N 3.01Å; G1137-V1139 VanDerWaalsContact O-N 3.14Å
1138	L	69.1	Low	57.1	Low	14 Å²	14	54.5 Å²	54.5	7%	0.073	31%	0.306	C	S	.	.			trans	-87.9	35.3	-175.3	-64.4	168.5	0	0	0	112.7	F1068 L1097 L1102 R1133 L1136 E1140 L1141	F1068-L1138 HydrophobicContact CE1-CD1 4.45Å; F1068-L1138 HydrophobicContact CZ-CD1 3.7Å; L1097-L1138 HydrophobicContact CD1-CD1 4.13Å; L1097-L1138 HydrophobicContact CD2-CD1 4.27Å; L1102-L1138 HydrophobicContact CB-CD2 4.18Å; L1102-L1138 HydrophobicContact CD1-CD2 4.12Å; L1102-L1138 HydrophobicContact CD2-CD2 4.33Å; L1102-L1138 HydrophobicContact CG-CD2 4.45Å; R1133-L1138 HydrophobicContact CG-CB 3.65Å; R1133-L1138 WeakPolarHBondContact CG-O 3.31Å; R1133-L1138 PolarHBondContact O-N 3.42Å; L1136-L1138 HydrophobicContact CB-CD1 3.89Å; L1136-L1138 HydrophobicContact CB-CG 4.05Å; L1136-L1138 HydrophobicContact CD1-CD1 4.21Å; L1138-E1140 VanDerWaalsContact C-N 3.26Å; L1138-E1140 PolarHBondContact O-N 3.49Å; L1138-L1141 HydrophobicContact CB-CD1 4.31Å; L1138-L1141 PolarHBondContact O-N 3.28Å
1139	V	60.3	Low	55.7	Low	98 Å²	98	57.8 Å²	57.8	59%	0.594	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.2	-169.4	-170.4	0	0	0	0	112.8	G1137 L1141	G1137-V1139 PolarHBondContact O-N 3.01Å; G1137-V1139 VanDerWaalsContact O-N 3.14Å; V1139-L1141 PolarHBondContact O-N 2.93Å; V1139-L1141 VanDerWaalsContact O-N 3.1Å
1140	E	56.9	Low	54.1	Low	198 Å²	198	62.3 Å²	62.3	93%	0.925	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.9	-179.9	-63	-169.5	165.6	0	0	114.1	L1138	L1138-E1140 VanDerWaalsContact C-N 3.26Å; L1138-E1140 PolarHBondContact O-N 3.49Å
1141	L	54.3	Low	52.4	Low	51 Å²	51	68.1 Å²	68.1	27%	0.267	37%	0.369	S	S	.	.	S	Bend	trans	-87.6	137.5	179	-65.9	165.7	0	0	0	111.4	I1064 R1133 L1138 V1139	I1064-L1141 HydrophobicContact CD1-CD1 3.62Å; I1064-L1141 HydrophobicContact CD1-CD2 4.5Å; R1133-L1141 PolarHBondContact NH1-O 3.45Å; L1138-L1141 HydrophobicContact CB-CD1 4.31Å; L1138-L1141 PolarHBondContact O-N 3.28Å; V1139-L1141 PolarHBondContact O-N 2.93Å; V1139-L1141 VanDerWaalsContact O-N 3.1Å
1142	P	54.1	Low	50.6	Low	77 Å²	77	69 Å²	69	50%	0.5	38%	0.376	S	S	.	.			trans	-66.7	137.9	-178.3	24.3	-31.8	0	0	0	112.3	S1144 S1145	P1142-S1144 PolarHBondContact O-N 2.99Å; P1142-S1144 VanDerWaalsContact O-N 3.11Å; P1142-S1145 WeakPolarHBondContact O-CB 3.46Å; P1142-S1145 PolarHBondContact O-N 2.99Å; P1142-S1145 PolarHBondContact O-OG 3.23Å
1143	K	45.9	Very low	49	Very low	154 Å²	154	70.6 Å²	70.6	67%	0.67	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21	-178.9	-77.1	-175	176.2	-170.6	0	114.7	R1133 S1145	R1133-K1143 VanDerWaalsContact NH2-CG 3.35Å; K1143-S1145 PolarHBondContact O-N 3.25Å; K1143-S1145 VanDerWaalsContact O-N 3.08Å
1144	S	43.1	Very low	47.6	Very low	94 Å²	94	71.5 Å²	71.5	66%	0.657	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-66.5	-4.9	177.5	57.7	0	0	0	0	113.7	P1142 I1146	P1142-S1144 PolarHBondContact O-N 2.99Å; P1142-S1144 VanDerWaalsContact O-N 3.11Å; S1144-I1146 PolarHBondContact O-N 3.14Å
1145	S	39.6	Very low	46.2	Very low	14 Å²	14	67.6 Å²	67.6	10%	0.098	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-82.4	-5.1	-172.4	54	0	0	0	0	116.3	Q1061 P1142 K1143	Q1061-S1145 VanDerWaalsContact NE2-CA 3.29Å; P1142-S1145 WeakPolarHBondContact O-CB 3.46Å; P1142-S1145 PolarHBondContact O-N 2.99Å; P1142-S1145 PolarHBondContact O-OG 3.23Å; K1143-S1145 PolarHBondContact O-N 3.25Å; K1143-S1145 VanDerWaalsContact O-N 3.08Å
1146	I	37.7	Very low	44.8	Very low	23 Å²	23	72.9 Å²	72.9	12%	0.118	40%	0.4	C	S	.	.			trans	-113.3	41	-172	-59.7	160.3	0	0	0	110.8	T1126 N1130 S1144 L1148	T1126-I1146 HydrophobicContact CG2-CG2 3.94Å; T1126-I1146 WeakPolarHBondContact CG2-O 3.43Å; T1126-I1146 WeakPolarHBondContact O-CG2 3.49Å; N1130-I1146 WeakPolarHBondContact OD1-CD1 3.36Å; S1144-I1146 PolarHBondContact O-N 3.14Å; I1146-L1148 PolarHBondContact O-N 3.33Å
1147	S	31.8	Very low	43.6	Very low	93 Å²	93	75.5 Å²	75.5	65%	0.65	41%	0.414	S	S	*	.			trans	-90.2	75.8	-179.1	70.5	0	0	0	0	112.1
1148	L	32	Very low	43	Very low	70 Å²	70	73.8 Å²	73.8	37%	0.366	39%	0.394	S	S	.	.			trans	-105.4	88.7	150.7	-91.8	164.2	0	0	0	107.6	D1069 T1126 I1146 W1150	D1069-L1148 WeakPolarHBondContact OD2-CD1 3.41Å; T1126-L1148 HydrophobicContact CG2-CB 4.35Å; T1126-L1148 WeakPolarHBondContact CG2-O 3.49Å; I1146-L1148 PolarHBondContact O-N 3.33Å; L1148-W1150 PolarHBondContact O-N 3.4Å
1149	S	29.5	Very low	42.5	Very low	70 Å²	70	79 Å²	79	49%	0.49	42%	0.416	S	S	.	.			trans	-70.3	112.7	173.5	58.6	0	0	0	0	109.1	K1151	S1149-K1151 VanDerWaalsContact C-N 3.28Å; S1149-K1151 PolarHBondContact O-N 2.82Å
1150	W	30.2	Very low	42.8	Very low	96 Å²	96	74.5 Å²	74.5	36%	0.364	39%	0.389	S	S	.	.			trans	-56.4	106.5	138.4	-62.8	92	0	0	0	104.9	L1148 V1152	L1148-W1150 PolarHBondContact O-N 3.4Å; W1150-V1152 PolarHBondContact O-N 2.92Å; W1150-V1152 VanDerWaalsContact O-N 3.12Å
1151	K	30.8	Very low	43.5	Very low	172 Å²	172	65.1 Å²	65.1	75%	0.748	35%	0.345	S	S	*	.	S	Bend	trans	-67.1	-12.4	-171.9	-100.7	-166.9	176.7	-172.7	0	113.5	S1149	S1149-K1151 VanDerWaalsContact C-N 3.28Å; S1149-K1151 PolarHBondContact O-N 2.82Å
1152	V	30.6	Very low	44.6	Very low	58 Å²	58	63.3 Å²	63.3	35%	0.352	34%	0.335	S	S	.	.	S	Bend	trans	-141.3	97.9	174	-171.4	0	0	0	0	106.2	L666 W1150 E1156	L666-V1152 HydrophobicContact CD2-CB 4.2Å; L666-V1152 HydrophobicContact CD2-CG1 3.5Å; L666-V1152 VanDerWaalsContact CD2-CG1 3.5Å; W1150-V1152 PolarHBondContact O-N 2.92Å; W1150-V1152 VanDerWaalsContact O-N 3.12Å; V1152-E1156 HydrophobicContact CG1-CB 4.32Å; V1152-E1156 HydrophobicContact CG1-CG 4.35Å
1153	S	37	Very low	45.3	Very low	33 Å²	33	60.4 Å²	60.4	23%	0.231	32%	0.315	C	S	.	.			trans	-73.3	155.7	166.1	62.7	0	0	0	0	108.7	E1155 E1156	S1153-E1155 VanDerWaalsContact CB-CD 3.47Å; S1153-E1155 WeakPolarHBondContact CB-OE2 3.41Å; S1153-E1155 PolarHBondContact O-N 3.06Å; S1153-E1155 WeakPolarHBondContact OG-CB 3.19Å; S1153-E1155 VanDerWaalsContact OG-CD 3.25Å; S1153-E1155 PolarHBondContact OG-OE2 3.2Å; S1153-E1156 PolarHBondContact O-N 3.36Å; S1153-E1156 VanDerWaalsContact O-N 3.1Å
1154	P	38.1	Very low	46.5	Very low	29 Å²	29	53.2 Å²	53.2	19%	0.188	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-47.4	-22.2	169.9	-22.2	29.9	0	0	0	113.9	L666 I769 E1156 I1158	L666-P1154 HydrophobicContact CD1-CB 3.9Å; L666-P1154 HydrophobicContact CD1-CG 4.04Å; I769-P1154 HydrophobicContact CD1-CB 4.16Å; I769-P1154 HydrophobicContact CD1-CG 3.41Å; I769-P1154 VanDerWaalsContact CD1-CG 3.41Å; I769-P1154 HydrophobicContact CG1-CG 4.3Å; P1154-E1156 VanDerWaalsContact C-N 3.34Å; P1154-E1156 PolarHBondContact O-N 3.26Å; P1154-I1158 PolarHBondContact O-N 3.21Å
1155	E	41.4	Very low	48.1	Very low	26 Å²	26	48.9 Å²	48.9	12%	0.121	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-74.3	-9.3	-178.1	-51.9	111	-142	0	0	115.6	L525 N526 S1153 I1157 I1158 K1159	L525-E1155 HydrophobicContact CB-CG 3.66Å; N526-E1155 HydrophobicContact CB-CG 4.24Å; N526-E1155 VanDerWaalsContact CB-OE1 3.31Å; N526-E1155 WeakPolarHBondContact CB-OE1 3.36Å; N526-E1155 WeakPolarHBondContact CB-OE2 3.42Å; N526-E1155 PolarHBondContact ND2-OE2 2.97Å; S1153-E1155 VanDerWaalsContact CB-CD 3.47Å; S1153-E1155 WeakPolarHBondContact CB-OE2 3.41Å; S1153-E1155 PolarHBondContact O-N 3.06Å; S1153-E1155 WeakPolarHBondContact OG-CB 3.19Å; S1153-E1155 VanDerWaalsContact OG-CD 3.25Å; S1153-E1155 PolarHBondContact OG-OE2 3.2Å; E1155-I1157 PolarHBondContact O-N 3.35Å; E1155-I1158 WeakPolarHBondContact CA-O 3.33Å; E1155-K1159 WeakPolarHBondContact O-CA 3.4Å; E1155-K1159 WeakPolarHBondContact O-CG 3.47Å
1156	E	39.5	Very low	49.8	Very low	116 Å²	116	48.7 Å²	48.7	54%	0.542	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.8	-28.4	174.7	-73.8	-162.9	163	0	0	112.1	V1152 S1153 P1154 K1159	V1152-E1156 HydrophobicContact CG1-CB 4.32Å; V1152-E1156 HydrophobicContact CG1-CG 4.35Å; S1153-E1156 PolarHBondContact O-N 3.36Å; S1153-E1156 VanDerWaalsContact O-N 3.1Å; P1154-E1156 VanDerWaalsContact C-N 3.34Å; P1154-E1156 PolarHBondContact O-N 3.26Å; E1156-K1159 WeakPolarHBondContact O-CE 3.32Å
1157	I	45.8	Very low	51.5	Low	56 Å²	56	48.2 Å²	48.2	29%	0.287	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-51.2	-179.3	-56.5	169.8	0	0	0	111.2	Y662 H886 E1155 K1159	Y662-I1157 HydrophobicContact CE1-CB 3.93Å; Y662-I1157 HydrophobicContact CE1-CD1 3.89Å; Y662-I1157 HydrophobicContact CE1-CG2 3.71Å; H886-I1157 VanDerWaalsContact CE1-CD1 3.45Å; H886-I1157 WeakPolarHBondContact CE1-CD1 3.36Å; E1155-I1157 PolarHBondContact O-N 3.35Å; I1157-K1159 PolarHBondContact O-N 3.49Å
1158	I	55.5	Low	53.6	Low	8 Å²	8	43.8 Å²	43.8	4%	0.041	22%	0.217	C	C	.	.	S	Bend	trans	-92.5	78.3	170.4	-56.5	-179.5	0	0	0	108.1	L525 I658 Y662 P1154 E1155 S1160 H1163 V1164	L525-I1158 HydrophobicContact CD2-CG2 4.27Å; I658-I1158 HydrophobicContact CG2-CD1 3.51Å; Y662-I1158 HydrophobicContact CD2-CD1 4.32Å; Y662-I1158 HydrophobicContact CE2-CD1 4.36Å; P1154-I1158 PolarHBondContact O-N 3.21Å; E1155-I1158 WeakPolarHBondContact CA-O 3.33Å; I1158-S1160 VanDerWaalsContact C-N 3.29Å; I1158-S1160 PolarHBondContact O-N 3.22Å; I1158-H1163 HydrophobicContact CG2-CB 4.33Å; I1158-V1164 HydrophobicContact CG2-CG2 3.31Å
1159	K	58.3	Low	55.9	Low	123 Å²	123	40.4 Å²	40.4	54%	0.535	20%	0.2	S	C	.	.			trans	-61.9	-36.8	-172.7	-69.1	177.5	-178.1	-173.4	0	113.2	P524 L525 E1155 E1156 I1157	P524-K1159 WeakPolarHBondContact CA-O 3.26Å; L525-K1159 PolarHBondContact N-O 3.32Å; L525-K1159 VanDerWaalsContact N-O 3.17Å; E1155-K1159 WeakPolarHBondContact O-CA 3.4Å; E1155-K1159 WeakPolarHBondContact O-CG 3.47Å; E1156-K1159 WeakPolarHBondContact O-CE 3.32Å; I1157-K1159 PolarHBondContact O-N 3.49Å
1160	S	65.9	Low	58.2	Low	4 Å²	4	37.2 Å²	37.2	3%	0.028	18%	0.177	C	C	.	.	S	Bend	trans	-153.3	163.4	-173.2	75.8	0	0	0	0	112.7	L521 Q523 I1158 K1162 H1163	L521-S1160 VanDerWaalsContact O-CB 3.29Å; L521-S1160 WeakPolarHBondContact O-CB 3.43Å; L521-S1160 PolarHBondContact O-OG 2.91Å; L521-S1160 VanDerWaalsContact O-OG 3.08Å; Q523-S1160 WeakPolarHBondContact O-CA 2.91Å; Q523-S1160 WeakPolarHBondContact O-CB 3.49Å; I1158-S1160 VanDerWaalsContact C-N 3.29Å; I1158-S1160 PolarHBondContact O-N 3.22Å; S1160-K1162 PolarHBondContact O-N 3.46Å; S1160-K1162 WeakPolarHBondContact OG-CB 3.28Å; S1160-H1163 PolarHBondContact N-ND1 3.46Å; S1160-H1163 WeakPolarHBondContact O-CB 3.03Å; S1160-H1163 PolarHBondContact O-N 3.01Å; S1160-H1163 PolarHBondContact OG-ND1 3.36Å
1161	P	72.2	Confident	60.3	Low	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-50.9	-30.6	175	-28.9	35.5	0	0	0	114.2	Q523 L525 F528 L776 H1163 V1164 L1165	Q523-P1161 WeakPolarHBondContact O-CD 3.42Å; L525-P1161 HydrophobicContact CD1-CG 4.17Å; F528-P1161 HydrophobicContact CB-CG 4.26Å; F528-P1161 HydrophobicContact CD1-CG 4.37Å; F528-P1161 HydrophobicContact CD2-CG 3.68Å; F528-P1161 HydrophobicContact CE2-CG 4.1Å; F528-P1161 HydrophobicContact CG-CG 3.84Å; L776-P1161 HydrophobicContact CD1-CB 4.28Å; L776-P1161 HydrophobicContact CD2-CB 4.22Å; P1161-H1163 VanDerWaalsContact C-N 3.32Å; P1161-H1163 PolarHBondContact O-N 3.31Å; P1161-V1164 PolarHBondContact O-N 3.05Å; P1161-L1165 PolarHBondContact O-N 3.5Å; P1161-L1165 VanDerWaalsContact O-N 3.14Å
1162	K	76.9	Confident	62.5	Low	13 Å²	13	26.1 Å²	26.1	6%	0.057	13%	0.132	C	C	.	.	H	α-helix	trans	-50.7	-49.6	172	177.5	176.8	166.2	160.3	0	112.6	L521 Y522 L567 V568 S1160 V1164 L1165 E1166	L521-K1162 HydrophobicContact CD2-CB 4.09Å; L521-K1162 HydrophobicContact CD2-CG 4.38Å; L521-K1162 HydrophobicContact CG-CB 3.96Å; L521-K1162 PolarHBondContact O-N 3.45Å; Y522-K1162 HydrophobicContact CD1-CD 4.47Å; Y522-K1162 HydrophobicContact CE1-CD 3.87Å; L567-K1162 WeakPolarHBondContact O-CD 3.39Å; L567-K1162 WeakPolarHBondContact O-CE 3.31Å; L567-K1162 PolarHBondContact O-NZ 2.81Å; V568-K1162 HydrophobicContact CG2-CG 4.32Å; S1160-K1162 PolarHBondContact O-N 3.46Å; S1160-K1162 WeakPolarHBondContact OG-CB 3.28Å; K1162-V1164 VanDerWaalsContact C-N 3.3Å; K1162-V1164 PolarHBondContact O-N 3.32Å; K1162-L1165 PolarHBondContact O-N 3.49Å; K1162-E1166 WeakPolarHBondContact CE-OE1 3.46Å; K1162-E1166 IonicContact NZ-OE1 3.35Å; K1162-E1166 WeakPolarHBondContact O-CG 3.48Å; K1162-E1166 PolarHBondContact O-N 3.02Å
1163	H	70.3	Confident	64.8	Low	17 Å²	17	23.9 Å²	23.9	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-41.3	-173.4	-65.6	72.1	0	0	0	110.6	F600 I1158 S1160 P1161 E1166 F1167	F600-H1163 AromaticContact CD1-CD2 3.12Å; F600-H1163 WeakPolarHBondContact CD1-CD2 3.46Å; F600-H1163 AromaticContact CD1-NE2 3.62Å; F600-H1163 HydrophobicContact CE1-CB 4.28Å; F600-H1163 AromaticContact CE1-CD2 3.35Å; F600-H1163 WeakPolarHBondContact CE1-CD2 3.39Å; F600-H1163 AromaticContact CG-CD2 3.98Å; I1158-H1163 HydrophobicContact CG2-CB 4.33Å; S1160-H1163 PolarHBondContact N-ND1 3.46Å; S1160-H1163 WeakPolarHBondContact O-CB 3.03Å; S1160-H1163 PolarHBondContact O-N 3.01Å; S1160-H1163 PolarHBondContact OG-ND1 3.36Å; P1161-H1163 VanDerWaalsContact C-N 3.32Å; P1161-H1163 PolarHBondContact O-N 3.31Å; H1163-E1166 PolarHBondContact O-N 2.68Å; H1163-F1167 WeakPolarHBondContact O-CD2 3.15Å; H1163-F1167 WeakPolarHBondContact O-CG 3.31Å; H1163-F1167 PolarHBondContact O-N 2.74Å
1164	V	71.3	Confident	66.4	Low	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-47.1	176.1	-176.8	0	0	0	0	111.1	L773 L776 I1158 P1161 K1162 E1166 F1167 L1168	L773-V1164 HydrophobicContact CD2-CB 4.3Å; L773-V1164 HydrophobicContact CD2-CG1 3.68Å; L773-V1164 HydrophobicContact CD2-CG2 3.57Å; L776-V1164 HydrophobicContact CB-CG1 4.36Å; L776-V1164 HydrophobicContact CD1-CB 3.85Å; L776-V1164 HydrophobicContact CD1-CG1 3.78Å; L776-V1164 HydrophobicContact CD1-CG2 4.08Å; I1158-V1164 HydrophobicContact CG2-CG2 3.31Å; P1161-V1164 PolarHBondContact O-N 3.05Å; K1162-V1164 VanDerWaalsContact C-N 3.3Å; K1162-V1164 PolarHBondContact O-N 3.32Å; V1164-E1166 VanDerWaalsContact C-N 3.31Å; V1164-E1166 PolarHBondContact O-N 3.17Å; V1164-F1167 PolarHBondContact O-N 2.89Å; V1164-L1168 HydrophobicContact CG1-CD1 3.8Å; V1164-L1168 HydrophobicContact CG1-CG 4.41Å; V1164-L1168 VanDerWaalsContact O-CG 3.25Å; V1164-L1168 WeakPolarHBondContact O-CG 3.47Å; V1164-L1168 PolarHBondContact O-N 3.28Å
1165	L	75.7	Confident	67.6	Low	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-37.4	179	-69.1	170.3	0	0	0	112.3	L521 V568 P1161 K1162 L1168 N1169	L521-L1165 HydrophobicContact CD1-CD1 3.84Å; V568-L1165 HydrophobicContact CG1-CB 3.82Å; V568-L1165 HydrophobicContact CG2-CB 4.46Å; V568-L1165 HydrophobicContact CG2-CD1 4.22Å; P1161-L1165 PolarHBondContact O-N 3.5Å; P1161-L1165 VanDerWaalsContact O-N 3.14Å; K1162-L1165 PolarHBondContact O-N 3.49Å; L1165-L1168 PolarHBondContact O-N 3.2Å; L1165-N1169 WeakPolarHBondContact O-CB 3.44Å; L1165-N1169 PolarHBondContact O-N 3.3Å; L1165-N1169 PolarHBondContact O-ND2 3.43Å
1166	E	74.9	Confident	68.6	Low	9 Å²	9	27 Å²	27	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-41.6	176.2	-68.7	-177.2	161	0	0	112.3	V568 M569 K1162 H1163 V1164 N1169 L1170	V568-E1166 HydrophobicContact CG1-CG 3.68Å; M569-E1166 HydrophobicContact CB-CG 4.37Å; M569-E1166 PolarHBondContact N-OE1 3.09Å; K1162-E1166 WeakPolarHBondContact CE-OE1 3.46Å; K1162-E1166 IonicContact NZ-OE1 3.35Å; K1162-E1166 WeakPolarHBondContact O-CG 3.48Å; K1162-E1166 PolarHBondContact O-N 3.02Å; H1163-E1166 PolarHBondContact O-N 2.68Å; V1164-E1166 VanDerWaalsContact C-N 3.31Å; V1164-E1166 PolarHBondContact O-N 3.17Å; E1166-N1169 PolarHBondContact O-N 3.17Å; E1166-L1170 PolarHBondContact O-N 3.06Å
1167	F	72.9	Confident	69.1	Low	13 Å²	13	27.8 Å²	27.8	6%	0.057	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-43.7	173.8	-70.8	-51	0	0	0	112.3	F600 L617 L621 I658 H1163 V1164 N1169 L1170 Q1171	F600-F1167 HydrophobicContact CD2-CZ 4.46Å; F600-F1167 HydrophobicContact CE1-CZ 4.28Å; F600-F1167 AromaticContact CE2-CE1 3.52Å; F600-F1167 HydrophobicContact CE2-CE1 3.52Å; F600-F1167 HydrophobicContact CE2-CE2 4.24Å; F600-F1167 AromaticContact CE2-CZ 3.24Å; F600-F1167 HydrophobicContact CE2-CZ 3.24Å; F600-F1167 HydrophobicContact CZ-CD1 4.16Å; F600-F1167 AromaticContact CZ-CE1 3.32Å; F600-F1167 HydrophobicContact CZ-CE1 3.32Å; F600-F1167 AromaticContact CZ-CE2 3.82Å; F600-F1167 HydrophobicContact CZ-CE2 3.82Å; F600-F1167 AromaticContact CZ-CZ 3.13Å; F600-F1167 HydrophobicContact CZ-CZ 3.13Å; L617-F1167 HydrophobicContact CD1-CD1 4.33Å; L617-F1167 HydrophobicContact CD1-CE1 3.8Å; L617-F1167 HydrophobicContact CD2-CE1 4.02Å; L621-F1167 HydrophobicContact CD1-CD1 4.32Å; I658-F1167 HydrophobicContact CD1-CB 4.33Å; H1163-F1167 WeakPolarHBondContact O-CD2 3.15Å; H1163-F1167 WeakPolarHBondContact O-CG 3.31Å; H1163-F1167 PolarHBondContact O-N 2.74Å; V1164-F1167 PolarHBondContact O-N 2.89Å; F1167-N1169 VanDerWaalsContact C-N 3.32Å; F1167-N1169 PolarHBondContact O-N 3.1Å; F1167-L1170 PolarHBondContact O-N 2.98Å; F1167-Q1171 PolarHBondContact O-N 3.26Å; F1167-Q1171 VanDerWaalsContact O-N 3.09Å
1168	L	76	Confident	68.9	Low	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-37.4	176.9	-67.2	166.9	0	0	0	111.5	R651 L654 T777 V1164 L1165 Q1171 L1172	R651-L1168 HydrophobicContact CB-CD2 4.2Å; R651-L1168 HydrophobicContact CG-CD2 4.5Å; R651-L1168 VanDerWaalsContact NH2-CB 3.31Å; L654-L1168 HydrophobicContact CB-CD2 4.48Å; L654-L1168 HydrophobicContact CD2-CD2 4.24Å; T777-L1168 HydrophobicContact CG2-CD1 3.57Å; T777-L1168 HydrophobicContact CG2-CD2 3.68Å; T777-L1168 HydrophobicContact CG2-CG 4.3Å; V1164-L1168 HydrophobicContact CG1-CD1 3.8Å; V1164-L1168 HydrophobicContact CG1-CG 4.41Å; V1164-L1168 VanDerWaalsContact O-CG 3.25Å; V1164-L1168 WeakPolarHBondContact O-CG 3.47Å; V1164-L1168 PolarHBondContact O-N 3.28Å; L1165-L1168 PolarHBondContact O-N 3.2Å; L1168-Q1171 WeakPolarHBondContact O-CB 3.34Å; L1168-Q1171 PolarHBondContact O-N 2.66Å; L1168-L1172 WeakPolarHBondContact O-CG 3.35Å; L1168-L1172 PolarHBondContact O-N 3.4Å; L1168-L1172 VanDerWaalsContact O-N 3.13Å
1169	N	82	Confident	69.6	Low	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-37.4	174.8	-74.5	-16.4	0	0	0	112.4	T476 M569 P571 I574 L1165 E1166 F1167 Q1171 L1172 V1173	T476-N1169 WeakPolarHBondContact CA-OD1 3.42Å; T476-N1169 PolarHBondContact O-ND2 3.15Å; M569-N1169 PolarHBondContact O-ND2 2.92Å; P571-N1169 HydrophobicContact CG-CB 4.13Å; I574-N1169 HydrophobicContact CD1-CB 3.75Å; L1165-N1169 WeakPolarHBondContact O-CB 3.44Å; L1165-N1169 PolarHBondContact O-N 3.3Å; L1165-N1169 PolarHBondContact O-ND2 3.43Å; E1166-N1169 PolarHBondContact O-N 3.17Å; F1167-N1169 VanDerWaalsContact C-N 3.32Å; F1167-N1169 PolarHBondContact O-N 3.1Å; N1169-Q1171 VanDerWaalsContact C-N 3.32Å; N1169-L1172 PolarHBondContact O-N 3.4Å; N1169-V1173 WeakPolarHBondContact O-CG2 3.23Å; N1169-V1173 PolarHBondContact O-N 2.98Å
1170	L	76.2	Confident	70.2	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-40.8	174.5	-179.1	57.8	0	0	0	111.3	I574 L578 L614 L617 K618 L621 E1166 F1167 L1172 V1173 S1174	I574-L1170 HydrophobicContact CD1-CB 4.36Å; I574-L1170 HydrophobicContact CG2-CD1 3.68Å; L578-L1170 HydrophobicContact CD1-CD1 4.37Å; L614-L1170 HydrophobicContact CB-CD1 4.38Å; L614-L1170 HydrophobicContact CD2-CD1 4.05Å; L614-L1170 HydrophobicContact CD2-CD2 4.05Å; L617-L1170 HydrophobicContact CB-CD2 3.59Å; L617-L1170 HydrophobicContact CD1-CD2 4.3Å; K618-L1170 HydrophobicContact CB-CD1 4.2Å; K618-L1170 HydrophobicContact CB-CD2 4.46Å; K618-L1170 HydrophobicContact CB-CG 4.37Å; L621-L1170 HydrophobicContact CD1-CD2 3.99Å; L621-L1170 HydrophobicContact CD1-CG 4.37Å; E1166-L1170 PolarHBondContact O-N 3.06Å; F1167-L1170 PolarHBondContact O-N 2.98Å; L1170-L1172 VanDerWaalsContact C-N 3.34Å; L1170-L1172 PolarHBondContact O-N 3.46Å; L1170-V1173 PolarHBondContact O-N 2.92Å; L1170-S1174 WeakPolarHBondContact O-CB 3.5Å; L1170-S1174 PolarHBondContact O-N 3.49Å; L1170-S1174 PolarHBondContact O-OG 3.26Å
1171	Q	75.2	Confident	70.4	Confident	14 Å²	14	35.8 Å²	35.8	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-38.5	175.3	-166.3	-160.2	2.4	0	0	112.7	S625 S650 L654 F1167 L1168 N1169 V1173 S1174	S625-Q1171 PolarHBondContact OG-NE2 2.99Å; S650-Q1171 PolarHBondContact O-NE2 2.67Å; L654-Q1171 VanDerWaalsContact CB-CD 3.44Å; L654-Q1171 HydrophobicContact CD2-CB 3.58Å; L654-Q1171 VanDerWaalsContact CD2-CD 3.42Å; L654-Q1171 HydrophobicContact CD2-CG 3.74Å; F1167-Q1171 PolarHBondContact O-N 3.26Å; F1167-Q1171 VanDerWaalsContact O-N 3.09Å; L1168-Q1171 WeakPolarHBondContact O-CB 3.34Å; L1168-Q1171 PolarHBondContact O-N 2.66Å; N1169-Q1171 VanDerWaalsContact C-N 3.32Å; Q1171-V1173 VanDerWaalsContact C-N 3.26Å; Q1171-V1173 PolarHBondContact O-N 2.79Å; Q1171-S1174 VanDerWaalsContact CA-OG 3.31Å; Q1171-S1174 WeakPolarHBondContact CA-OG 3.38Å; Q1171-S1174 PolarHBondContact O-N 3.22Å; Q1171-S1174 PolarHBondContact O-OG 2.64Å
1172	L	76	Confident	70.3	Confident	21 Å²	21	37.9 Å²	37.9	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-34	177.7	-74.1	172.2	0	0	0	112.5	G443 I445 I446 T476 P571 R651 L1168 N1169 L1170	G443-L1172 VanDerWaalsContact O-CD2 3.3Å; G443-L1172 WeakPolarHBondContact O-CD2 3.09Å; I445-L1172 HydrophobicContact CB-CD1 3.98Å; I445-L1172 HydrophobicContact CB-CD2 4.12Å; I445-L1172 HydrophobicContact CG1-CD1 4.21Å; I445-L1172 HydrophobicContact CG1-CD2 4.13Å; I446-L1172 HydrophobicContact CD1-CB 4.16Å; I446-L1172 HydrophobicContact CG1-CB 4.46Å; T476-L1172 HydrophobicContact CG2-CD1 4.25Å; P571-L1172 HydrophobicContact CG-CD1 4.32Å; R651-L1172 HydrophobicContact CG-CD2 4.32Å; L1168-L1172 WeakPolarHBondContact O-CG 3.35Å; L1168-L1172 PolarHBondContact O-N 3.4Å; L1168-L1172 VanDerWaalsContact O-N 3.13Å; N1169-L1172 PolarHBondContact O-N 3.4Å; L1170-L1172 VanDerWaalsContact C-N 3.34Å; L1170-L1172 PolarHBondContact O-N 3.46Å
1173	V	78.7	Confident	69.9	Low	11 Å²	11	39.4 Å²	39.4	7%	0.067	19%	0.191	C	C	.	.	H	α-helix	trans	-86.9	-27.5	-179.7	-177.9	0	0	0	0	111.6	P571 I574 K575 L578 N1169 L1170 Q1171 H1175	P571-V1173 HydrophobicContact CB-CG2 3.68Å; P571-V1173 WeakPolarHBondContact O-CG2 3.34Å; I574-V1173 HydrophobicContact CB-CG2 4.21Å; I574-V1173 HydrophobicContact CG2-CB 4.12Å; I574-V1173 HydrophobicContact CG2-CG1 4.22Å; I574-V1173 HydrophobicContact CG2-CG2 4.12Å; K575-V1173 HydrophobicContact CB-CG1 3.74Å; K575-V1173 HydrophobicContact CG-CG1 4.12Å; L578-V1173 HydrophobicContact CD1-CG1 4Å; N1169-V1173 WeakPolarHBondContact O-CG2 3.23Å; N1169-V1173 PolarHBondContact O-N 2.98Å; L1170-V1173 PolarHBondContact O-N 2.92Å; Q1171-V1173 VanDerWaalsContact C-N 3.26Å; Q1171-V1173 PolarHBondContact O-N 2.79Å; V1173-H1175 PolarHBondContact O-N 3.48Å; V1173-H1175 VanDerWaalsContact O-N 3.08Å; V1173-H1175 PolarHBondContact O-ND1 3.02Å
1174	S	71.2	Confident	69.9	Low	1 Å²	1	40.9 Å²	40.9	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-22.8	-170.6	55.5	0	0	0	0	113.5	K618 L1170 Q1171 C1176	K618-S1174 WeakPolarHBondContact CE-O 3.48Å; K618-S1174 PolarHBondContact NZ-O 3.39Å; L1170-S1174 WeakPolarHBondContact O-CB 3.5Å; L1170-S1174 PolarHBondContact O-N 3.49Å; L1170-S1174 PolarHBondContact O-OG 3.26Å; Q1171-S1174 VanDerWaalsContact CA-OG 3.31Å; Q1171-S1174 WeakPolarHBondContact CA-OG 3.38Å; Q1171-S1174 PolarHBondContact O-N 3.22Å; Q1171-S1174 PolarHBondContact O-OG 2.64Å; S1174-C1176 PolarHBondContact OG-SG 3.2Å
1175	H	64.3	Low	69.8	Low	119 Å²	119	43.7 Å²	43.7	55%	0.551	21%	0.212	S	C	*	.			trans	41.5	71.6	-172.2	-64.7	68.3	0	0	0	108.2	V1173 D1177	V1173-H1175 PolarHBondContact O-N 3.48Å; V1173-H1175 VanDerWaalsContact O-N 3.08Å; V1173-H1175 PolarHBondContact O-ND1 3.02Å; H1175-D1177 PolarHBondContact O-N 2.98Å
1176	C	61.9	Low	69.3	Low	33 Å²	33	46.8 Å²	46.8	22%	0.223	23%	0.226	C	C	.	.			trans	-69.8	69.8	171.9	-48.3	0	0	0	0	107.4	C622 S1174 K1178	C622-C1176 WeakPolarHBondContact CA-SG 3.38Å; C622-C1176 HydrophobicContact CB-CB 3.75Å; C622-C1176 WeakPolarHBondContact CB-SG 3.5Å; C622-C1176 WeakPolarHBondContact SG-CB 3.11Å; C622-C1176 CovalentContact SG-SG 2.04Å; C622-C1176 PolarHBondContact SG-SG 3.36Å; S1174-C1176 PolarHBondContact OG-SG 3.2Å; C1176-K1178 PolarHBondContact O-N 3.14Å
1177	D	50.5	Low	68.9	Low	134 Å²	134	49.9 Å²	49.9	72%	0.717	24%	0.242	S	C	*	.			trans	-58.7	124.8	174.5	-73.1	-24.7	0	0	0	106.8	H1175	H1175-D1177 PolarHBondContact O-N 2.98Å
1178	K	41.5	Very low	68.5	Low	251 Å²	251	53.3 Å²	53.3	100%	1.091	26%	0.258	S	S	*	.			trans	-65	0	165.7	-66.5	-177	-177.6	-177.3	0	109.1	C1176	C1176-K1178 PolarHBondContact O-N 3.14Å

Retrieved 1,178 of 1,178 residues in 1295.1 ms (Link to these results)

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