A0A5K4F3K3_SCHMA Loading...

Stealth_CR2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3K3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,067 aa.

						>A0A5K4F3K3_SCHMA|A0A5K4F3K3
MLKEYLPSRMESLRADKMHLPFVITCLIIGLSYIILLTIYAILKICQGSNKFHTDKIIHGSTSYMSNNETQQRRFSSFSGYSTTLLNNYHCTSSQSQLARLTCPQKFWIMIYLCFRVFYTFLFTISVGLSFILSIETDATVEFTSAVHNNHFVTMNSFSNYNGNIGSRLSLPSVMNTMTLTTDIGNRWRGAKVWVLEAARMEDFSQTELLRQIQRGTSQISDCGKHYEDHSKQLSRYMMYISKKLISWFSQTNTKNEVINHNDLNENSMNYHSDNKLSYEDSISQSEHEMYNSNSNNNNNKSTLQWTSNGVNIPIPTIEQETWNHLERTSWLPYLDTVDDYLRKTRDDLDTKVIDYWAPYDQLLANLLTNPWLAPAYRALNTSWLQERRISFMDRTYFGLVSSDFDSEDENQSSNDVTALNGAKETQSLMLANFIGVPQPAHARLAGTRIWNSFRNLVPGLPSKFYYKLEPSSLSSSSSSSVLNKDVEFRRKPKLYHDHRQMLSSEDWYHIPSGQLDLDEKLNIDSFTDLNTQFYPYATTVMKRNGNPSIIDSNSYFLTLTQVRLLLLLLDAIIILSRCFKTFEFMHNIWFGDIKLINANHLIHEINNNSQIMIDSFDHSMHHHHHPQQTQQIHGNYHYQSQLQIRSPRHIQLSIGSTPFLHPASCSSNLHESNRHSISNDFPASIGTNHNEPVTANQTIRASEYERKSSTGINITQNDPPTLNFDNGTGRFTACYCCLDAHYLLVITGIGLLFIGLVLIWATDRHVRPGWLLAKTGVFARSRALEDCRQRTNAILKTIQPNYINMDLIRYAKFNAAKEAYWINQLTNRLEHVQTQIQLQFITELCLLQKGLVNHYYVLDQNAVRIHVPEITDTNSTFSACELIGPNFQFTEQALLILSNWKLDPLTNKQIKHTLKTPVCHFSPVVPATYAESHLSRLLRMTGLNEQPLQMNNKKTNEQITSNNNNQTEFIQFDGNQLDFDYEQFTTSIGSLSTLINAVYRLLLTSLTVMMAMGGLLVCLHMISILGRIIIRIPVRKVYYTTVYPPSTSIHNPSCSSTVYQTSSQHS
					

Structure Viewer

Loading PAE data...

(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	38.9	Very low	40	Very low	189 Å²	189	149.1 Å²	149.1	93%	0.931	72%	0.715	S	S	*	*				0	-122.8	0	-55.5	-49.6	177.2	0	0	110.9	K3 E4	M1-K3 PolarHBondContact O-N 2.88Å; M1-E4 PolarHBondContact N-OE2 3.41Å; M1-E4 PolarHBondContact O-N 3.44Å; M1-E4 VanDerWaalsContact O-N 3.1Å
2	L	37.8	Very low	40.1	Very low	154 Å²	154	142 Å²	142	81%	0.806	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-27.9	-165.7	-149.5	82.7	0	0	0	115.1	E4 L6	L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 3.46Å; L2-L6 VanDerWaalsContact O-CD1 3.32Å; L2-L6 WeakPolarHBondContact O-CD1 3.5Å
3	K	36.3	Very low	40.2	Very low	202 Å²	202	140.2 Å²	140.2	88%	0.878	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-13.5	-178	-158	171.9	-178.3	-179.8	0	114.4	M1	M1-K3 PolarHBondContact O-N 2.88Å
4	E	45.3	Very low	40.2	Very low	146 Å²	146	143.9 Å²	143.9	68%	0.682	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-14.8	-178	-71.3	152.1	118.9	0	0	113.3	M1 L2 P7	M1-E4 PolarHBondContact N-OE2 3.41Å; M1-E4 PolarHBondContact O-N 3.44Å; M1-E4 VanDerWaalsContact O-N 3.1Å; L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 3.46Å; E4-P7 VanDerWaalsContact O-CD 3.31Å; E4-P7 WeakPolarHBondContact O-CD 3.44Å
5	Y	39.3	Very low	40.4	Very low	173 Å²	173	137.9 Å²	137.9	68%	0.678	67%	0.673	S	S	*	*	S	Bend	trans	-92.9	0.9	-173.3	-119.3	-88.2	0	0	0	114.9
6	L	42.6	Very low	40.5	Very low	121 Å²	121	135.9 Å²	135.9	63%	0.634	67%	0.666	S	S	*	*	S	Bend	trans	-94.3	-24.2	-178.6	-87.8	85.8	0	0	0	117.8	L2 S8	L2-L6 VanDerWaalsContact O-CD1 3.32Å; L2-L6 WeakPolarHBondContact O-CD1 3.5Å; L6-S8 PolarHBondContact O-N 3.16Å
7	P	39.4	Very low	40.4	Very low	79 Å²	79	136.4 Å²	136.4	51%	0.513	66%	0.664	S	S	.	*	H	α-helix	trans	-61.3	-47.1	-174	-25.5	34.5	0	0	0	114.2	E4 R9 M10	E4-P7 VanDerWaalsContact O-CD 3.31Å; E4-P7 WeakPolarHBondContact O-CD 3.44Å; P7-R9 VanDerWaalsContact C-N 3.27Å; P7-R9 PolarHBondContact O-N 3.29Å; P7-R9 VanDerWaalsContact O-N 3.16Å; P7-M10 PolarHBondContact O-N 3.34Å
8	S	40	Very low	40.8	Very low	86 Å²	86	137.3 Å²	137.3	60%	0.601	67%	0.669	S	S	*	*	H	α-helix	trans	-68	-18.7	-167.2	55.8	0	0	0	0	115.2	L6	L6-S8 PolarHBondContact O-N 3.16Å
9	R	38.6	Very low	41.3	Very low	209 Å²	209	136.1 Å²	136.1	79%	0.789	66%	0.662	S	S	*	*	H	α-helix	trans	-90.1	-13.6	178.8	-138.7	178.8	-166.2	-173.2	5.5	113.8	P7	P7-R9 VanDerWaalsContact C-N 3.27Å; P7-R9 PolarHBondContact O-N 3.29Å; P7-R9 VanDerWaalsContact O-N 3.16Å
10	M	40.4	Very low	41.6	Very low	150 Å²	150	134.6 Å²	134.6	74%	0.739	66%	0.656	S	S	*	*	H	α-helix	trans	-81.7	-34.8	172.3	-79.7	-75.6	-166.6	0	0	112.1	P7 R14	P7-M10 PolarHBondContact O-N 3.34Å; M10-R14 PolarHBondContact O-N 3.05Å
11	E	41	Very low	42.1	Very low	131 Å²	131	131.1 Å²	131.1	61%	0.612	64%	0.644	S	S	*	*	H	α-helix	trans	-77.2	-33.4	-172.4	-63.3	-173.8	136.9	0	0	113	R14 A15	E11-R14 WeakPolarHBondContact O-CA 3.43Å; E11-R14 VanDerWaalsContact O-CB 3.27Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 3.25Å; E11-A15 PolarHBondContact O-N 2.84Å
12	S	42	Very low	42.8	Very low	64 Å²	64	129.1 Å²	129.1	45%	0.448	63%	0.631	S	S	.	*	H	α-helix	trans	-63	-41.6	171.7	53.5	0	0	0	0	112.3	R14 A15	S12-R14 PolarHBondContact O-N 2.92Å; S12-A15 PolarHBondContact O-N 2.89Å
13	L	41.3	Very low	43.8	Very low	118 Å²	118	125.9 Å²	125.9	62%	0.618	62%	0.617	S	S	*	*	H	α-helix	trans	-69.3	-10.3	171.3	-90.4	77.4	0	0	0	113.7
14	R	39.8	Very low	45.3	Very low	193 Å²	193	119.8 Å²	119.8	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-87	-28.2	174.7	-146.4	173.6	-167.5	167.7	3.7	112	M10 E11 S12	M10-R14 PolarHBondContact O-N 3.05Å; E11-R14 WeakPolarHBondContact O-CA 3.43Å; E11-R14 VanDerWaalsContact O-CB 3.27Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 3.25Å; S12-R14 PolarHBondContact O-N 2.92Å
15	A	43.9	Very low	46.4	Very low	53 Å²	53	116.2 Å²	116.2	44%	0.438	58%	0.582	S	S	.	*	H	α-helix	trans	-73.1	-39.2	177.8	0	0	0	0	0	113.2	E11 S12 K17 M18	E11-A15 PolarHBondContact O-N 2.84Å; S12-A15 PolarHBondContact O-N 2.89Å; A15-K17 PolarHBondContact O-N 3.06Å; A15-M18 PolarHBondContact O-N 3.28Å
16	D	41.7	Very low	47.6	Very low	106 Å²	106	111.1 Å²	111.1	57%	0.567	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-62.1	-12.1	178.3	-70.9	-26.9	0	0	0	113.3	M18	D16-M18 VanDerWaalsContact C-N 3.33Å; D16-M18 PolarHBondContact O-N 3.39Å
17	K	38.8	Very low	48.7	Very low	144 Å²	144	110.2 Å²	110.2	63%	0.626	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-79.9	2.9	176.4	-65	-171.2	177	-174.8	0	115.3	A15 P21	A15-K17 PolarHBondContact O-N 3.06Å; K17-P21 WeakPolarHBondContact O-CD 3.44Å; K17-P21 WeakPolarHBondContact O-CG 3.37Å
18	M	46.8	Very low	50.3	Low	154 Å²	154	111.4 Å²	111.4	76%	0.759	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-87.6	-28.8	176.2	-73.2	-164.5	172	0	0	114.7	A15 D16 P21	A15-M18 PolarHBondContact O-N 3.28Å; D16-M18 VanDerWaalsContact C-N 3.33Å; D16-M18 PolarHBondContact O-N 3.39Å; M18-P21 WeakPolarHBondContact O-CD 3.36Å; M18-P21 WeakPolarHBondContact O-CG 3.49Å
19	H	49.8	Very low	51.8	Low	114 Å²	114	112.2 Å²	112.2	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-90.3	-26.9	176.1	-62	-69.3	0	0	0	113	F22 V23 L772	H19-F22 PolarHBondContact O-N 3.08Å; H19-V23 WeakPolarHBondContact O-CG2 3.42Å; H19-V23 PolarHBondContact O-N 3.39Å; H19-V23 VanDerWaalsContact O-N 3.09Å; H19-L772 WeakPolarHBondContact NE2-CD1 3.08Å
20	L	47.9	Very low	53.2	Low	105 Å²	105	103.6 Å²	103.6	55%	0.55	54%	0.539	S	S	.	.	H	α-helix	trans	-50.7	-51.4	172.9	-164.6	98.4	0	0	0	113.4	F22 V23 I24	L20-F22 PolarHBondContact O-N 3.33Å; L20-V23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CD1-CD1 4.45Å; L20-I24 HydrophobicContact CD2-CD1 3.73Å; L20-I24 HydrophobicContact CG-CD1 3.68Å; L20-I24 HydrophobicContact CG-CG1 4.42Å; L20-I24 VanDerWaalsContact O-CB 3.29Å; L20-I24 WeakPolarHBondContact O-CB 3.5Å; L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.87Å
21	P	52.1	Low	54.7	Low	63 Å²	63	100.9 Å²	100.9	41%	0.409	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-41.3	179.6	24.4	-35	0	0	0	112.4	K17 M18 V23 I24 T25	K17-P21 WeakPolarHBondContact O-CD 3.44Å; K17-P21 WeakPolarHBondContact O-CG 3.37Å; M18-P21 WeakPolarHBondContact O-CD 3.36Å; M18-P21 WeakPolarHBondContact O-CG 3.49Å; P21-V23 PolarHBondContact O-N 2.73Å; P21-I24 CarbonylContact O-C 3.6Å; P21-I24 PolarHBondContact O-N 3.39Å; P21-T25 WeakPolarHBondContact O-CB 3.37Å; P21-T25 PolarHBondContact O-N 3.48Å; P21-T25 PolarHBondContact O-OG1 3.19Å
22	F	53.7	Low	56	Low	146 Å²	146	97.1 Å²	97.1	64%	0.64	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-46.4	178.4	-179.3	-99.8	0	0	0	112	H19 L20 I24 T25 C26	H19-F22 PolarHBondContact O-N 3.08Å; L20-F22 PolarHBondContact O-N 3.33Å; F22-I24 PolarHBondContact O-N 2.96Å; F22-T25 PolarHBondContact O-N 2.85Å; F22-C26 PolarHBondContact O-N 2.99Å; F22-C26 PolarHBondContact O-SG 3.31Å
23	V	58.5	Low	57.1	Low	87 Å²	87	101.3 Å²	101.3	53%	0.527	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-40.6	176.9	176.2	0	0	0	0	111.1	H19 L20 P21 C26 L27	H19-V23 WeakPolarHBondContact O-CG2 3.42Å; H19-V23 PolarHBondContact O-N 3.39Å; H19-V23 VanDerWaalsContact O-N 3.09Å; L20-V23 PolarHBondContact O-N 2.93Å; P21-V23 PolarHBondContact O-N 2.73Å; V23-C26 PolarHBondContact O-N 2.97Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 PolarHBondContact O-N 3.03Å
24	I	68.8	Low	58.5	Low	73 Å²	73	100.6 Å²	100.6	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-42.1	175.1	-74.5	175.3	0	0	0	111.6	L20 P21 F22 L27 I28	L20-I24 HydrophobicContact CD1-CD1 4.45Å; L20-I24 HydrophobicContact CD2-CD1 3.73Å; L20-I24 HydrophobicContact CG-CD1 3.68Å; L20-I24 HydrophobicContact CG-CG1 4.42Å; L20-I24 VanDerWaalsContact O-CB 3.29Å; L20-I24 WeakPolarHBondContact O-CB 3.5Å; L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.87Å; P21-I24 CarbonylContact O-C 3.6Å; P21-I24 PolarHBondContact O-N 3.39Å; F22-I24 PolarHBondContact O-N 2.96Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 PolarHBondContact O-N 3.13Å; I24-I28 HydrophobicContact CG2-CD1 3.53Å; I24-I28 HydrophobicContact CG2-CG1 4.17Å; I24-I28 WeakPolarHBondContact O-CB 3.36Å; I24-I28 VanDerWaalsContact O-CG1 3.26Å; I24-I28 WeakPolarHBondContact O-CG1 3.49Å; I24-I28 PolarHBondContact O-N 2.9Å
25	T	68.7	Low	60.1	Low	72 Å²	72	95.8 Å²	95.8	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-43.2	177.1	-61.2	0	0	0	0	110.8	P21 F22 L27 I28 I29	P21-T25 WeakPolarHBondContact O-CB 3.37Å; P21-T25 PolarHBondContact O-N 3.48Å; P21-T25 PolarHBondContact O-OG1 3.19Å; F22-T25 PolarHBondContact O-N 2.85Å; T25-L27 PolarHBondContact O-N 3.14Å; T25-I28 PolarHBondContact O-N 3.08Å; T25-I29 HydrophobicContact CG2-CD1 3.75Å; T25-I29 HydrophobicContact CG2-CG1 4.41Å; T25-I29 WeakPolarHBondContact O-CB 3.19Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.46Å; T25-I29 PolarHBondContact O-N 3.16Å
26	C	64.8	Low	61.4	Low	66 Å²	66	98.8 Å²	98.8	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-39.1	172.7	-71.9	0	0	0	0	112.5	F22 V23 G30	F22-C26 PolarHBondContact O-N 2.99Å; F22-C26 PolarHBondContact O-SG 3.31Å; V23-C26 PolarHBondContact O-N 2.97Å; C26-G30 PolarHBondContact O-N 3.43Å
27	L	65.8	Low	62.7	Low	102 Å²	102	95.9 Å²	95.9	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-66.3	-42.2	173.9	-105.4	166.8	0	0	0	112.6	V23 I24 T25 G30 L31	V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 PolarHBondContact O-N 3.03Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 PolarHBondContact O-N 3.13Å; T25-L27 PolarHBondContact O-N 3.14Å; L27-G30 PolarHBondContact O-N 3.49Å; L27-L31 HydrophobicContact CD2-CD1 4.25Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.44Å
28	I	72.4	Confident	64.3	Low	104 Å²	104	91.1 Å²	91.1	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-66.6	-41.2	178.1	-73.1	171.4	0	0	0	110.7	I24 T25 S32	I24-I28 HydrophobicContact CG2-CD1 3.53Å; I24-I28 HydrophobicContact CG2-CG1 4.17Å; I24-I28 WeakPolarHBondContact O-CB 3.36Å; I24-I28 VanDerWaalsContact O-CG1 3.26Å; I24-I28 WeakPolarHBondContact O-CG1 3.49Å; I24-I28 PolarHBondContact O-N 2.9Å; T25-I28 PolarHBondContact O-N 3.08Å; I28-S32 VanDerWaalsContact O-CB 3.24Å; I28-S32 WeakPolarHBondContact O-CB 3.41Å; I28-S32 PolarHBondContact O-N 2.72Å; I28-S32 PolarHBondContact O-OG 2.89Å; I28-S32 VanDerWaalsContact O-OG 3.11Å
29	I	71.9	Confident	65.5	Low	103 Å²	103	87.8 Å²	87.8	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-67.9	-41.7	175.6	-68.5	169.7	0	0	0	110.8	T25 S32 Y33	T25-I29 HydrophobicContact CG2-CD1 3.75Å; T25-I29 HydrophobicContact CG2-CG1 4.41Å; T25-I29 WeakPolarHBondContact O-CB 3.19Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.46Å; T25-I29 PolarHBondContact O-N 3.16Å; I29-S32 PolarHBondContact O-OG 3.24Å; I29-Y33 WeakPolarHBondContact O-CB 3.19Å; I29-Y33 PolarHBondContact O-N 3.41Å
30	G	66.8	Low	66.3	Low	27 Å²	27	89.3 Å²	89.3	28%	0.278	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.5	0	0	0	0	0	112.7	C26 L27 I34	C26-G30 PolarHBondContact O-N 3.43Å; L27-G30 PolarHBondContact O-N 3.49Å; G30-I34 VanDerWaalsContact O-CG1 3.29Å; G30-I34 WeakPolarHBondContact O-CG1 3.43Å; G30-I34 PolarHBondContact O-N 3.41Å
31	L	71.7	Confident	67.2	Low	94 Å²	94	84.8 Å²	84.8	49%	0.492	45%	0.446	S	S	.	.	H	α-helix	trans	-67.4	-42.3	177.5	-75.7	167.1	0	0	0	112.3	L27 Y33 I34 I35	L27-L31 HydrophobicContact CD2-CD1 4.25Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.44Å; L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.37Å; L31-I34 PolarHBondContact O-N 3.1Å; L31-I35 WeakPolarHBondContact O-CB 3.3Å; L31-I35 WeakPolarHBondContact O-CD1 3.48Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 3.09Å
32	S	68.7	Low	68.1	Low	52 Å²	52	86.5 Å²	86.5	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-66.4	-36.7	178.1	70.5	0	0	0	0	111.7	I28 I29 I35 L36	I28-S32 VanDerWaalsContact O-CB 3.24Å; I28-S32 WeakPolarHBondContact O-CB 3.41Å; I28-S32 PolarHBondContact O-N 2.72Å; I28-S32 PolarHBondContact O-OG 2.89Å; I28-S32 VanDerWaalsContact O-OG 3.11Å; I29-S32 PolarHBondContact O-OG 3.24Å; S32-I35 PolarHBondContact O-N 3.47Å; S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 VanDerWaalsContact O-CG 3.28Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.09Å
33	Y	65.6	Low	68.8	Low	151 Å²	151	84.4 Å²	84.4	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-63.4	-43.7	172	-168.8	-98.7	0	0	0	112.1	I29 L31 I35 L36 L37	I29-Y33 WeakPolarHBondContact O-CB 3.19Å; I29-Y33 PolarHBondContact O-N 3.41Å; L31-Y33 VanDerWaalsContact C-N 3.33Å; L31-Y33 PolarHBondContact O-N 3.37Å; Y33-I35 PolarHBondContact O-N 3.04Å; Y33-L36 PolarHBondContact O-N 2.96Å; Y33-L37 HydrophobicContact CE1-CD1 3.91Å; Y33-L37 VanDerWaalsContact O-CB 3.29Å; Y33-L37 WeakPolarHBondContact O-CB 3.27Å; Y33-L37 PolarHBondContact O-N 3.38Å
34	I	70.8	Confident	68.9	Low	103 Å²	103	86 Å²	86	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-42.6	174.8	-70	165.2	0	0	0	111.3	G30 L31 L37 T38	G30-I34 VanDerWaalsContact O-CG1 3.29Å; G30-I34 WeakPolarHBondContact O-CG1 3.43Å; G30-I34 PolarHBondContact O-N 3.41Å; L31-I34 PolarHBondContact O-N 3.1Å; I34-L37 PolarHBondContact O-N 3.47Å; I34-T38 WeakPolarHBondContact O-CG2 3.41Å; I34-T38 PolarHBondContact O-N 2.91Å; I34-T38 PolarHBondContact O-OG1 3.49Å
35	I	73.2	Confident	68.4	Low	93 Å²	93	86.2 Å²	86.2	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-43.6	178.4	-70.3	163.1	0	0	0	111.3	L31 S32 Y33 L37 T38 I39	L31-I35 WeakPolarHBondContact O-CB 3.3Å; L31-I35 WeakPolarHBondContact O-CD1 3.48Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 3.09Å; S32-I35 PolarHBondContact O-N 3.47Å; Y33-I35 PolarHBondContact O-N 3.04Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 3.41Å; I35-T38 PolarHBondContact O-N 3.49Å; I35-T38 PolarHBondContact O-OG1 3.27Å; I35-T38 VanDerWaalsContact O-OG1 3.05Å; I35-I39 HydrophobicContact CG2-CD1 3.74Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.4Å; I35-I39 VanDerWaalsContact O-CG1 3.23Å; I35-I39 WeakPolarHBondContact O-CG1 3.2Å; I35-I39 PolarHBondContact O-N 3.3Å
36	L	70.7	Confident	67.6	Low	115 Å²	115	86.6 Å²	86.6	60%	0.602	45%	0.451	S	S	*	.	H	α-helix	trans	-62.5	-38.4	175.1	-73.8	168.1	0	0	0	111.7	S32 Y33 Y40	S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 VanDerWaalsContact O-CG 3.28Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.09Å; Y33-L36 PolarHBondContact O-N 2.96Å; L36-Y40 WeakPolarHBondContact O-CB 3.34Å; L36-Y40 PolarHBondContact O-N 3.25Å
37	L	69.3	Low	67	Low	46 Å²	46	91.1 Å²	91.1	24%	0.241	47%	0.466	C	S	.	.	H	α-helix	trans	-72	-36	-180	-160.9	151.3	0	0	0	112.2	Y33 I34 I35 A41 M110	Y33-L37 HydrophobicContact CE1-CD1 3.91Å; Y33-L37 VanDerWaalsContact O-CB 3.29Å; Y33-L37 WeakPolarHBondContact O-CB 3.27Å; Y33-L37 PolarHBondContact O-N 3.38Å; I34-L37 PolarHBondContact O-N 3.47Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 3.41Å; L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.2Å; L37-M110 HydrophobicContact CD2-CE 3.69Å
38	T	71.9	Confident	65.9	Low	44 Å²	44	89.3 Å²	89.3	27%	0.27	47%	0.472	S	S	.	.	H	α-helix	trans	-71.4	-40	172	55.7	0	0	0	0	112.4	I34 I35 Y40 A41 I42 F107	I34-T38 WeakPolarHBondContact O-CG2 3.41Å; I34-T38 PolarHBondContact O-N 2.91Å; I34-T38 PolarHBondContact O-OG1 3.49Å; I35-T38 PolarHBondContact O-N 3.49Å; I35-T38 PolarHBondContact O-OG1 3.27Å; I35-T38 VanDerWaalsContact O-OG1 3.05Å; T38-Y40 PolarHBondContact O-N 3.38Å; T38-A41 PolarHBondContact O-N 3.25Å; T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.29Å; T38-I42 PolarHBondContact O-N 3.29Å; T38-F107 HydrophobicContact CG2-CZ 4.38Å
39	I	73.2	Confident	64.3	Low	84 Å²	84	88.6 Å²	88.6	43%	0.431	48%	0.476	S	S	.	.	H	α-helix	trans	-59.8	-46.3	172.6	-69.9	167.3	0	0	0	110.7	I35 A41 I42 L43	I35-I39 HydrophobicContact CG2-CD1 3.74Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.4Å; I35-I39 VanDerWaalsContact O-CG1 3.23Å; I35-I39 WeakPolarHBondContact O-CG1 3.2Å; I35-I39 PolarHBondContact O-N 3.3Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 3.47Å; I39-I42 PolarHBondContact O-N 3.19Å; I39-L43 HydrophobicContact CG2-CD1 3.99Å; I39-L43 WeakPolarHBondContact O-CG 3.1Å; I39-L43 PolarHBondContact O-N 3.36Å
40	Y	66.7	Low	62.7	Low	146 Å²	146	90.6 Å²	90.6	57%	0.573	49%	0.488	S	S	*	.	H	α-helix	trans	-60.5	-42.1	176.7	-179	-96.6	0	0	0	112.3	L36 T38 L43 K44	L36-Y40 WeakPolarHBondContact O-CB 3.34Å; L36-Y40 PolarHBondContact O-N 3.25Å; T38-Y40 PolarHBondContact O-N 3.38Å; Y40-L43 PolarHBondContact O-N 3.38Å; Y40-K44 HydrophobicContact CD1-CG 4.41Å; Y40-K44 HydrophobicContact CE1-CG 3.85Å; Y40-K44 WeakPolarHBondContact O-CB 3.36Å; Y40-K44 PolarHBondContact O-N 2.74Å; Y40-K44 VanDerWaalsContact OH-CE 3.27Å; Y40-K44 WeakPolarHBondContact OH-CE 3.16Å
41	A	67.1	Low	61.4	Low	10 Å²	10	99 Å²	99	8%	0.083	52%	0.516	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176	0	0	0	0	0	112.4	L37 T38 I39 K44 I45 F107 M110	L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.2Å; T38-A41 PolarHBondContact O-N 3.25Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 3.47Å; A41-K44 PolarHBondContact O-N 3.11Å; A41-I45 VanDerWaalsContact O-CG1 3.27Å; A41-I45 WeakPolarHBondContact O-CG1 3.22Å; A41-I45 PolarHBondContact O-N 3.45Å; A41-F107 HydrophobicContact CB-CD2 3.93Å; A41-F107 HydrophobicContact CB-CE2 3.52Å; A41-M110 HydrophobicContact CB-CE 4.32Å
42	I	70.2	Confident	59.4	Low	98 Å²	98	103.7 Å²	103.7	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-61.1	-46.7	175.2	-68.8	163.3	0	0	0	110.5	T38 I39 K44 I45 C46	T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.29Å; T38-I42 PolarHBondContact O-N 3.29Å; I39-I42 PolarHBondContact O-N 3.19Å; I42-K44 VanDerWaalsContact C-N 3.35Å; I42-K44 PolarHBondContact O-N 3.06Å; I42-I45 PolarHBondContact O-N 2.74Å; I42-I45 VanDerWaalsContact O-N 3.17Å; I42-C46 PolarHBondContact O-N 3.29Å; I42-C46 PolarHBondContact O-SG 3.11Å; I42-C46 VanDerWaalsContact O-SG 3.33Å
43	L	67.9	Low	57.6	Low	102 Å²	102	108.7 Å²	108.7	53%	0.534	55%	0.551	S	S	.	*	H	α-helix	trans	-59.7	-42.6	176.7	-71.2	168.8	0	0	0	112.3	I39 Y40 C46 Q47	I39-L43 HydrophobicContact CG2-CD1 3.99Å; I39-L43 WeakPolarHBondContact O-CG 3.1Å; I39-L43 PolarHBondContact O-N 3.36Å; Y40-L43 PolarHBondContact O-N 3.38Å; L43-C46 PolarHBondContact O-N 3.39Å; L43-Q47 WeakPolarHBondContact O-CG 3.47Å; L43-Q47 PolarHBondContact O-N 2.76Å; L43-Q47 VanDerWaalsContact O-N 3.08Å
44	K	61.4	Low	56.2	Low	120 Å²	120	107.3 Å²	107.3	52%	0.522	56%	0.558	S	S	.	*	H	α-helix	trans	-61.7	-40.1	173.9	-94.7	-89.8	-176.7	168.3	0	112.9	Y40 A41 I42 G48	Y40-K44 HydrophobicContact CD1-CG 4.41Å; Y40-K44 HydrophobicContact CE1-CG 3.85Å; Y40-K44 WeakPolarHBondContact O-CB 3.36Å; Y40-K44 PolarHBondContact O-N 2.74Å; Y40-K44 VanDerWaalsContact OH-CE 3.27Å; Y40-K44 WeakPolarHBondContact OH-CE 3.16Å; A41-K44 PolarHBondContact O-N 3.11Å; I42-K44 VanDerWaalsContact C-N 3.35Å; I42-K44 PolarHBondContact O-N 3.06Å; K44-G48 PolarHBondContact O-N 3.49Å
45	I	57.7	Low	54.4	Low	79 Å²	79	107.6 Å²	107.6	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-45.5	178.1	-70	164.8	0	0	0	110.3	A41 I42 Q47 G48	A41-I45 VanDerWaalsContact O-CG1 3.27Å; A41-I45 WeakPolarHBondContact O-CG1 3.22Å; A41-I45 PolarHBondContact O-N 3.45Å; I42-I45 PolarHBondContact O-N 2.74Å; I42-I45 VanDerWaalsContact O-N 3.17Å; I45-Q47 VanDerWaalsContact C-N 3.3Å; I45-Q47 PolarHBondContact O-N 2.85Å; I45-G48 PolarHBondContact O-N 3.19Å
46	C	52.2	Low	52.5	Low	80 Å²	80	110.7 Å²	110.7	54%	0.541	57%	0.571	S	S	.	*	H	α-helix	trans	-62	-34.2	177.6	-67.9	0	0	0	0	113.2	I42 L43 G48	I42-C46 PolarHBondContact O-N 3.29Å; I42-C46 PolarHBondContact O-SG 3.11Å; I42-C46 VanDerWaalsContact O-SG 3.33Å; L43-C46 PolarHBondContact O-N 3.39Å; C46-G48 VanDerWaalsContact C-N 3.27Å; C46-G48 PolarHBondContact O-N 3.4Å
47	Q	52.3	Low	50.7	Low	161 Å²	161	111.5 Å²	111.5	75%	0.752	57%	0.574	S	S	*	*	H	α-helix	trans	-69.9	-20.6	174.3	-75.1	-178.2	-7.5	0	0	113.8	L43 I45	L43-Q47 WeakPolarHBondContact O-CG 3.47Å; L43-Q47 PolarHBondContact O-N 2.76Å; L43-Q47 VanDerWaalsContact O-N 3.08Å; I45-Q47 VanDerWaalsContact C-N 3.3Å; I45-Q47 PolarHBondContact O-N 2.85Å
48	G	42.2	Very low	49.1	Very low	64 Å²	64	114.1 Å²	114.1	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-83.9	-17.1	-176.8	0	0	0	0	0	115.7	K44 I45 C46	K44-G48 PolarHBondContact O-N 3.49Å; I45-G48 PolarHBondContact O-N 3.19Å; C46-G48 VanDerWaalsContact C-N 3.27Å; C46-G48 PolarHBondContact O-N 3.4Å
49	S	38.6	Very low	47.3	Very low	89 Å²	89	119.4 Å²	119.4	62%	0.622	61%	0.609	S	S	*	*	S	Bend	trans	-87.2	-6.4	-164	-162.5	0	0	0	0	116.1	K51	S49-K51 PolarHBondContact O-N 3.36Å
50	N	38.8	Very low	45.3	Very low	145 Å²	145	116.3 Å²	116.3	78%	0.775	60%	0.597	S	S	*	*	S	Bend	trans	-94.3	15.9	-162.6	-76.3	3	0	0	0	116.1
51	K	38.7	Very low	43.7	Very low	202 Å²	202	113 Å²	113	88%	0.878	60%	0.596	S	S	*	*			trans	-138.7	104.1	173.3	-70.5	-165.8	175.6	-173.8	0	112.7	S49	S49-K51 PolarHBondContact O-N 3.36Å
52	F	29.6	Very low	41.9	Very low	193 Å²	193	117 Å²	117	85%	0.846	62%	0.619	S	S	*	*			trans	-100.1	172	168.5	-117.5	-94.7	0	0	0	110.4
53	H	31	Very low	40	Very low	158 Å²	158	114.3 Å²	114.3	73%	0.731	61%	0.609	S	S	*	*			trans	77.1	160.5	165.3	-94	-85.7	0	0	0	120.2
54	T	36.1	Very low	38.3	Very low	121 Å²	121	113.6 Å²	113.6	74%	0.742	60%	0.6	S	S	*	*			trans	63.4	108.3	-171.1	61.8	0	0	0	0	115.8
55	D	33.2	Very low	37	Very low	110 Å²	110	112.8 Å²	112.8	59%	0.588	60%	0.599	S	S	*	*				86.9	144.2	56.6	-73.4	-45.8	0	0	0	112
56	K	33.4	Very low	35.8	Very low	157 Å²	157	112.1 Å²	112.1	68%	0.683	60%	0.602	S	S	*	*			cis	-177	143.1	-19.8	-117.9	176.8	-170.8	150.3	0	110.6
57	I	33.8	Very low	35	Very low	132 Å²	132	113.8 Å²	113.8	68%	0.677	61%	0.605	S	S	*	*			trans	64.5	173.6	151.2	-46.3	155.5	0	0	0	116.5
58	I	34.9	Very low	34.2	Very low	102 Å²	102	110 Å²	110	52%	0.523	59%	0.59	S	S	.	*			trans	89.7	114.2	158.3	-57.6	-178.2	0	0	0	115.7	N727	I58-N727 WeakPolarHBondContact O-CB 3.11Å; I58-N727 PolarHBondContact O-ND2 3.02Å; I58-N727 VanDerWaalsContact O-ND2 3.14Å
59	H	33.9	Very low	33.8	Very low	154 Å²	154	113.7 Å²	113.7	71%	0.713	59%	0.59	S	S	*	*			cis	-163	106.4	0.3	-129.6	-33.8	0	0	0	116	D726	H59-D726 VanDerWaalsContact CA-OD1 3.24Å; H59-D726 WeakPolarHBondContact CA-OD1 2.76Å; H59-D726 VanDerWaalsContact N-CG 3.32Å; H59-D726 PolarHBondContact N-OD1 3.3Å
60	G	32.2	Very low	33.5	Very low	19 Å²	19	115.1 Å²	115.1	20%	0.196	60%	0.595	C	S	.	*			trans	81.1	165	156.4	0	0	0	0	0	115.2	N724 D726	G60-N724 WeakPolarHBondContact O-CB 3.42Å; G60-N724 PolarHBondContact O-OD1 3.24Å; G60-D726 PolarHBondContact N-OD1 3.17Å; G60-D726 VanDerWaalsContact N-OD1 3.15Å; G60-D726 PolarHBondContact N-OD2 3.39Å
61	S	31.9	Very low	33.3	Very low	76 Å²	76	117 Å²	117	53%	0.531	60%	0.6	S	S	.	*			cis	-161.4	155.6	-2.9	-71.4	0	0	0	0	108.3	N724	S61-N724 VanDerWaalsContact N-CB 3.33Å; S61-N724 VanDerWaalsContact N-CG 3.32Å; S61-N724 PolarHBondContact N-ND2 3.17Å; S61-N724 VanDerWaalsContact N-ND2 3.14Å; S61-N724 WeakPolarHBondContact O-CB 2.81Å; S61-N724 PolarHBondContact O-ND2 2.86Å
62	T	30.7	Very low	32.9	Very low	95 Å²	95	117.1 Å²	117.1	58%	0.583	60%	0.603	S	S	*	*			trans	56	145.4	150	47.4	0	0	0	0	120.2	T722	T62-T722 VanDerWaalsContact C-OG1 3.27Å; T62-T722 CarbonylContact O-C 3.59Å; T62-T722 VanDerWaalsContact O-CB 3.32Å; T62-T722 WeakPolarHBondContact O-CB 3.34Å; T62-T722 PolarHBondContact O-OG1 2.75Å
63	S	30.3	Very low	32.9	Very low	41 Å²	41	118.9 Å²	118.9	29%	0.287	60%	0.604	S	S	.	*			cis	-178.4	167.9	-23.4	37.9	0	0	0	0	110.8	P720 P721 T722	S63-P720 CarbonylContact O-C 3.49Å; S63-P720 VanDerWaalsContact O-C 3.22Å; S63-P721 WeakPolarHBondContact O-CB 3.46Å; S63-P721 WeakPolarHBondContact O-CD 3.47Å; S63-P721 WeakPolarHBondContact O-CG 3.44Å; S63-T722 PolarHBondContact N-OG1 3.39Å
64	Y	32.1	Very low	32.9	Very low	88 Å²	88	121.9 Å²	121.9	35%	0.345	61%	0.609	S	S	.	*			trans	90	68.7	156.4	-51.6	-67.1	0	0	0	123.5	D719 P721	Y64-D719 WeakPolarHBondContact CB-O 3.2Å; Y64-D719 HydrophobicContact CD1-CB 4.02Å; Y64-D719 HydrophobicContact CD2-CB 3.1Å; Y64-D719 HydrophobicContact CE1-CB 4.02Å; Y64-D719 HydrophobicContact CE2-CB 3.07Å; Y64-D719 VanDerWaalsContact CE2-OD2 3.25Å; Y64-D719 WeakPolarHBondContact CE2-OD2 3.2Å; Y64-D719 HydrophobicContact CG-CB 3.57Å; Y64-D719 PolarHBondContact OH-OD2 2.78Å; Y64-P721 WeakPolarHBondContact O-CD 3.37Å; Y64-P721 WeakPolarHBondContact O-CG 3.46Å
65	M	32.3	Very low	32.6	Very low	102 Å²	102	124.9 Å²	124.9	50%	0.502	61%	0.612	S	S	.	*				69.9	177.4	126.5	-68.7	165.5	58.6	0	0	118.1	I715 Q717	M65-I715 HydrophobicContact CE-CG2 4.43Å; M65-Q717 HydrophobicContact CE-CB 3.76Å; M65-Q717 HydrophobicContact SD-CB 4.45Å
66	S	32.9	Very low	32.5	Very low	66 Å²	66	124.9 Å²	124.9	46%	0.462	62%	0.621	S	S	.	*				-155.9	165.5	-52	66.6	0	0	0	0	112.1
67	N	36.5	Very low	32.5	Very low	114 Å²	114	122.6 Å²	122.6	61%	0.61	63%	0.625	S	S	*	*			trans	53.4	121	142.9	-58	-14.8	0	0	0	119.4
68	N	35.2	Very low	32.2	Very low	83 Å²	83	125.9 Å²	125.9	44%	0.444	63%	0.634	S	S	.	*				-150	149.8	84.7	-88.4	-30.8	0	0	0	112.8
69	E	34.6	Very low	32	Very low	141 Å²	141	126.6 Å²	126.6	66%	0.659	65%	0.648	S	S	*	*			trans	44.3	111.1	144.7	-60.5	177.2	139.4	0	0	117.8
70	T	31.7	Very low	31.8	Very low	118 Å²	118	122.4 Å²	122.4	72%	0.724	65%	0.647	S	S	*	*			cis	54.5	132	25.5	86.1	0	0	0	0	116.4
71	Q	34.9	Very low	31.6	Very low	186 Å²	186	132 Å²	132	87%	0.869	68%	0.679	S	S	*	*			trans	85.1	76.8	169.3	-50	-163.4	47.8	0	0	118.4
72	Q	29.8	Very low	31.4	Very low	204 Å²	204	133.1 Å²	133.1	95%	0.953	69%	0.687	S	S	*	*			trans	-128.5	72.3	141.7	-142	166.8	19.9	0	0	111
73	R	29.7	Very low	31.3	Very low	229 Å²	229	135.4 Å²	135.4	86%	0.864	70%	0.701	S	S	*	*			trans	-90.9	158.1	161.8	-81.7	-175.6	171.4	-178.2	-2.2	108.8
74	R	31.4	Very low	31.4	Very low	222 Å²	222	139.8 Å²	139.8	84%	0.838	73%	0.726	S	S	*	*			trans	75.3	140.7	175.2	-45.4	-177.6	-173.5	-178.9	3.2	114
75	F	30	Very low	31.2	Very low	183 Å²	183	143.1 Å²	143.1	80%	0.803	75%	0.749	S	S	*	*			cis	-166.7	152.3	-25.6	-111.2	-55	0	0	0	107.8
76	S	30.4	Very low	31.2	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	77%	0.766	S	S	*	*			trans	62.8	147	167.5	25.9	0	0	0	0	117.3
77	S	32.6	Very low	31.1	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	78%	0.782	S	S	*	*			cis	-157.7	135.4	-1.7	44	0	0	0	0	113.8
78	F	28.1	Very low	30.8	Very low	200 Å²	200	151.8 Å²	151.8	88%	0.877	79%	0.791	S	S	*	*			trans	76.2	127.7	143.5	-127.8	-113.4	0	0	0	122.9
79	S	30.9	Very low	30.5	Very low	117 Å²	117	158.4 Å²	158.4	82%	0.818	81%	0.812	S	S	*	*			trans	74.9	132	150.7	-155.4	0	0	0	0	121.1
80	G	30.4	Very low	30.3	Very low	67 Å²	67	160 Å²	160	69%	0.691	82%	0.819	S	S	*	*			trans	130.5	19.9	151.2	0	0	0	0	0	121.4
81	Y	27.4	Very low	30.2	Very low	219 Å²	219	159.8 Å²	159.8	86%	0.859	82%	0.821	S	S	*	*			trans	-57.6	155.2	174.9	-55.2	-91.5	0	0	0	112.5
82	S	27.4	Very low	30	Very low	101 Å²	101	156.8 Å²	156.8	71%	0.706	82%	0.816	S	S	*	*			cis	-158	151.1	23.1	-36.2	0	0	0	0	112.3
83	T	29.3	Very low	30.2	Very low	143 Å²	143	152.5 Å²	152.5	88%	0.877	81%	0.808	S	S	*	*	S	Bend	trans	169.6	9.7	139.4	31.7	0	0	0	0	115.4
84	T	32.5	Very low	30.5	Very low	132 Å²	132	145.1 Å²	145.1	81%	0.81	79%	0.791	S	S	*	*			trans	-98.5	4.4	-172.6	46.8	0	0	0	0	116.8	L86	T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.89Å
85	L	27.9	Very low	30.7	Very low	158 Å²	158	141.7 Å²	141.7	83%	0.827	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	8.2	-167.4	-81.1	170.2	0	0	0	117.3
86	L	31	Very low	31.1	Very low	165 Å²	165	137.2 Å²	137.2	86%	0.864	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-7.2	-169.1	-105.4	161.7	0	0	0	116.4	T84	T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.89Å
87	N	31.9	Very low	31.5	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	78%	0.775	S	S	*	*	S	Bend	trans	-103.3	-13.1	-173.2	-105	22.5	0	0	0	116.4
88	N	29	Very low	31.7	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	76%	0.762	S	S	*	*			trans	-104.1	17.6	-168.3	-76.1	18.9	0	0	0	115.6	H90	N88-H90 VanDerWaalsContact C-N 3.28Å; N88-H90 PolarHBondContact O-N 3.32Å; N88-H90 VanDerWaalsContact O-N 3.12Å
89	Y	28.8	Very low	32.5	Very low	222 Å²	222	133.4 Å²	133.4	87%	0.871	76%	0.755	S	S	*	*			trans	-85.6	68.2	169.9	-93.8	-85.7	0	0	0	111.4
90	H	31.7	Very low	33.2	Very low	175 Å²	175	138.4 Å²	138.4	81%	0.81	76%	0.756	S	S	*	*			trans	-106	153.2	164.6	-116.5	-92.6	0	0	0	110.8	N88 T92	N88-H90 VanDerWaalsContact C-N 3.28Å; N88-H90 PolarHBondContact O-N 3.32Å; N88-H90 VanDerWaalsContact O-N 3.12Å; H90-T92 PolarHBondContact O-N 3.24Å
91	C	28.5	Very low	34.1	Very low	114 Å²	114	137.4 Å²	137.4	77%	0.77	73%	0.734	S	S	*	*			trans	-52.5	128	-165.9	-53.8	0	0	0	0	115.5
92	T	31.9	Very low	35.6	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	71%	0.714	S	S	*	*	S	Bend		-179.4	160.4	127.8	25.9	0	0	0	0	112.2	H90 S94	H90-T92 PolarHBondContact O-N 3.24Å; T92-S94 VanDerWaalsContact C-N 3.31Å; T92-S94 PolarHBondContact O-N 3.15Å
93	S	34.5	Very low	36.6	Very low	114 Å²	114	129 Å²	129	80%	0.797	70%	0.704	S	S	*	*	S	Bend	trans	55	-28.3	162.7	72.5	0	0	0	0	122.2	Q95	S93-Q95 PolarHBondContact O-N 2.67Å
94	S	35.2	Very low	38	Very low	73 Å²	73	125.8 Å²	125.8	51%	0.51	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-17	-171.5	61	0	0	0	0	115.7	T92 S96 Q97	T92-S94 VanDerWaalsContact C-N 3.31Å; T92-S94 PolarHBondContact O-N 3.15Å; S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 2.81Å; S94-Q97 PolarHBondContact O-N 2.88Å; S94-Q97 VanDerWaalsContact O-N 3.16Å
95	Q	35.8	Very low	39.1	Very low	150 Å²	150	123.7 Å²	123.7	70%	0.701	67%	0.667	S	S	*	*	H	α-helix	trans	-64.4	-25.8	-168.4	-159.9	168.6	-0	0	0	114	S93 Q97 L98	S93-Q95 PolarHBondContact O-N 2.67Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.35Å; Q95-L98 PolarHBondContact O-N 2.75Å
96	S	37.7	Very low	40.3	Very low	90 Å²	90	122.4 Å²	122.4	63%	0.629	65%	0.654	S	S	*	*	H	α-helix	trans	-71.6	-22.6	177.9	59.6	0	0	0	0	114.1	S94	S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 2.81Å
97	Q	39.2	Very low	41.6	Very low	157 Å²	157	117 Å²	117	73%	0.734	62%	0.624	S	S	*	*	H	α-helix	trans	-83.5	-27.6	177.7	-63	-167	0.5	0	0	112.4	S94 Q95 A99 R100	S94-Q97 PolarHBondContact O-N 2.88Å; S94-Q97 VanDerWaalsContact O-N 3.16Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.35Å; Q97-A99 VanDerWaalsContact C-N 3.26Å; Q97-A99 PolarHBondContact O-N 3.22Å; Q97-R100 PolarHBondContact O-N 3.32Å
98	L	37.6	Very low	43.2	Very low	95 Å²	95	118.4 Å²	118.4	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-27.4	178.8	-121.1	69.2	0	0	0	113.1	Q95 R100 L101	Q95-L98 PolarHBondContact O-N 2.75Å; L98-R100 PolarHBondContact O-N 3.07Å; L98-R100 VanDerWaalsContact O-N 3.15Å; L98-L101 HydrophobicContact CG-CD1 4.12Å; L98-L101 WeakPolarHBondContact O-CD1 3.43Å; L98-L101 VanDerWaalsContact O-CG 3.26Å; L98-L101 WeakPolarHBondContact O-CG 3.37Å; L98-L101 PolarHBondContact O-N 2.81Å
99	A	44	Very low	45	Very low	88 Å²	88	114.6 Å²	114.6	73%	0.727	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-18.9	176.1	0	0	0	0	0	113.8	Q97	Q97-A99 VanDerWaalsContact C-N 3.26Å; Q97-A99 PolarHBondContact O-N 3.22Å
100	R	45.4	Very low	46.3	Very low	221 Å²	221	107.4 Å²	107.4	83%	0.834	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	15.8	179.2	-65.9	-173.3	177.1	-179.4	-0.2	114.3	Q97 L98 T102	Q97-R100 PolarHBondContact O-N 3.32Å; L98-R100 PolarHBondContact O-N 3.07Å; L98-R100 VanDerWaalsContact O-N 3.15Å; R100-T102 PolarHBondContact O-N 3.33Å; R100-T102 VanDerWaalsContact O-N 3.1Å
101	L	49.7	Very low	47.8	Very low	46 Å²	46	101.7 Å²	101.7	24%	0.241	55%	0.547	C	S	.	.			trans	-57	114.3	174.2	-79.5	167	0	0	0	111.5	L98 Q105 K106 I109	L98-L101 HydrophobicContact CG-CD1 4.12Å; L98-L101 WeakPolarHBondContact O-CD1 3.43Å; L98-L101 VanDerWaalsContact O-CG 3.26Å; L98-L101 WeakPolarHBondContact O-CG 3.37Å; L98-L101 PolarHBondContact O-N 2.81Å; L101-Q105 HydrophobicContact CD2-CB 3.74Å; L101-Q105 HydrophobicContact CD2-CG 4.38Å; L101-K106 HydrophobicContact CB-CG 4.35Å; L101-K106 VanDerWaalsContact O-CE 3.29Å; L101-K106 WeakPolarHBondContact O-CE 3.19Å; L101-I109 HydrophobicContact CD1-CD1 3.86Å; L101-I109 HydrophobicContact CD2-CD1 4.25Å
102	T	58.5	Low	49.4	Very low	71 Å²	71	103.1 Å²	103.1	44%	0.436	54%	0.537	S	S	.	.			trans	-66.1	159.5	179.7	62.3	0	0	0	0	111.9	R100 Q105 K106	R100-T102 PolarHBondContact O-N 3.33Å; R100-T102 VanDerWaalsContact O-N 3.1Å; T102-Q105 WeakPolarHBondContact O-CB 3.11Å; T102-Q105 PolarHBondContact O-N 3.42Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.37Å; T102-Q105 PolarHBondContact OG1-OE1 2.77Å; T102-K106 PolarHBondContact O-N 3.11Å
103	C	48.9	Very low	50.5	Low	73 Å²	73	99 Å²	99	49%	0.493	51%	0.511	S	S	.	.	H	α-helix	trans	-49.6	-48.3	178.4	-167.8	0	0	0	0	114.3	Q105 K106 F107	C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 PolarHBondContact O-N 2.69Å; C103-K106 PolarHBondContact O-N 3.26Å; C103-F107 PolarHBondContact O-N 3.46Å
104	P	58.1	Low	51.6	Low	76 Å²	76	96.4 Å²	96.4	49%	0.494	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-32.9	175.8	23.9	-34.5	0	0	0	113.5	F107 W108	P104-F107 WeakPolarHBondContact O-CB 3.26Å; P104-F107 PolarHBondContact O-N 3.22Å; P104-W108 PolarHBondContact O-N 3.36Å
105	Q	55.4	Low	52.6	Low	88 Å²	88	99.3 Å²	99.3	41%	0.411	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-38.3	175.2	-67.8	167.2	-55.6	0	0	111.5	L101 T102 C103 F107 W108 I109	L101-Q105 HydrophobicContact CD2-CB 3.74Å; L101-Q105 HydrophobicContact CD2-CG 4.38Å; T102-Q105 WeakPolarHBondContact O-CB 3.11Å; T102-Q105 PolarHBondContact O-N 3.42Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.37Å; T102-Q105 PolarHBondContact OG1-OE1 2.77Å; C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 PolarHBondContact O-N 2.69Å; Q105-F107 VanDerWaalsContact C-N 3.32Å; Q105-F107 PolarHBondContact O-N 3.01Å; Q105-W108 PolarHBondContact O-N 3.1Å; Q105-I109 WeakPolarHBondContact O-CD1 3.15Å; Q105-I109 VanDerWaalsContact O-CG1 3.3Å; Q105-I109 WeakPolarHBondContact O-CG1 3.27Å; Q105-I109 PolarHBondContact O-N 2.63Å
106	K	53.6	Low	53.9	Low	131 Å²	131	97.6 Å²	97.6	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-62.5	-38.2	172	-66.1	-176.6	177.7	-177	0	112	L101 T102 C103 I109 M110	L101-K106 HydrophobicContact CB-CG 4.35Å; L101-K106 VanDerWaalsContact O-CE 3.29Å; L101-K106 WeakPolarHBondContact O-CE 3.19Å; T102-K106 PolarHBondContact O-N 3.11Å; C103-K106 PolarHBondContact O-N 3.26Å; K106-I109 PolarHBondContact O-N 3.21Å; K106-M110 PolarHBondContact O-N 2.97Å
107	F	58.4	Low	54.9	Low	52 Å²	52	96.9 Å²	96.9	23%	0.228	47%	0.474	C	S	.	.	H	α-helix	trans	-64.8	-44.4	174.5	175.5	-111	0	0	0	112.8	T38 A41 C103 P104 Q105 I109 M110 I111	T38-F107 HydrophobicContact CG2-CZ 4.38Å; A41-F107 HydrophobicContact CB-CD2 3.93Å; A41-F107 HydrophobicContact CB-CE2 3.52Å; C103-F107 PolarHBondContact O-N 3.46Å; P104-F107 WeakPolarHBondContact O-CB 3.26Å; P104-F107 PolarHBondContact O-N 3.22Å; Q105-F107 VanDerWaalsContact C-N 3.32Å; Q105-F107 PolarHBondContact O-N 3.01Å; F107-I109 PolarHBondContact O-N 2.73Å; F107-M110 HydrophobicContact CD2-CE 4.05Å; F107-M110 HydrophobicContact CE2-CE 4.22Å; F107-M110 WeakPolarHBondContact O-CB 3.42Å; F107-M110 PolarHBondContact O-N 3.41Å; F107-I111 HydrophobicContact CD1-CD1 4.02Å; F107-I111 HydrophobicContact CD2-CD1 4.47Å; F107-I111 HydrophobicContact CE1-CD1 3.51Å; F107-I111 HydrophobicContact CE2-CD1 4Å; F107-I111 HydrophobicContact CE2-CG1 4.44Å; F107-I111 HydrophobicContact CG-CD1 4.49Å; F107-I111 HydrophobicContact CZ-CD1 3.52Å; F107-I111 HydrophobicContact CZ-CG1 4.41Å; F107-I111 PolarHBondContact O-N 2.78Å
108	W	66.4	Low	55.7	Low	175 Å²	175	94.6 Å²	94.6	66%	0.663	46%	0.462	S	S	*	.	H	α-helix	trans	-63.1	-39.4	174.4	-78.1	113.1	0	0	0	113	P104 Q105 M110 I111 Y112	P104-W108 PolarHBondContact O-N 3.36Å; Q105-W108 PolarHBondContact O-N 3.1Å; W108-M110 VanDerWaalsContact C-N 3.34Å; W108-I111 HydrophobicContact CE3-CD1 4.45Å; W108-I111 PolarHBondContact O-N 3.22Å; W108-Y112 WeakPolarHBondContact O-CB 3.28Å; W108-Y112 PolarHBondContact O-N 2.83Å
109	I	66.2	Low	56.6	Low	72 Å²	72	97 Å²	97	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-41.4	173.6	-69.6	163.4	0	0	0	110.8	L101 Q105 K106 F107 Y112 L113	L101-I109 HydrophobicContact CD1-CD1 3.86Å; L101-I109 HydrophobicContact CD2-CD1 4.25Å; Q105-I109 WeakPolarHBondContact O-CD1 3.15Å; Q105-I109 VanDerWaalsContact O-CG1 3.3Å; Q105-I109 WeakPolarHBondContact O-CG1 3.27Å; Q105-I109 PolarHBondContact O-N 2.63Å; K106-I109 PolarHBondContact O-N 3.21Å; F107-I109 PolarHBondContact O-N 2.73Å; I109-Y112 PolarHBondContact O-N 3.23Å; I109-L113 HydrophobicContact CG2-CD1 3.96Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 WeakPolarHBondContact O-CG 3.45Å; I109-L113 PolarHBondContact O-N 3.47Å
110	M	55.7	Low	57.2	Low	71 Å²	71	95.8 Å²	95.8	35%	0.35	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-45.9	175.6	-170.8	-166.9	72.9	0	0	112.1	L37 A41 K106 F107 W108 Y112 L113 C114	L37-M110 HydrophobicContact CD2-CE 3.69Å; A41-M110 HydrophobicContact CB-CE 4.32Å; K106-M110 PolarHBondContact O-N 2.97Å; F107-M110 HydrophobicContact CD2-CE 4.05Å; F107-M110 HydrophobicContact CE2-CE 4.22Å; F107-M110 WeakPolarHBondContact O-CB 3.42Å; F107-M110 PolarHBondContact O-N 3.41Å; W108-M110 VanDerWaalsContact C-N 3.34Å; M110-Y112 VanDerWaalsContact C-N 3.33Å; M110-Y112 PolarHBondContact O-N 3.48Å; M110-L113 PolarHBondContact O-N 3.03Å; M110-C114 PolarHBondContact O-N 3.27Å; M110-C114 PolarHBondContact O-SG 3.11Å; M110-C114 VanDerWaalsContact O-SG 3.37Å
111	I	63.2	Low	57.7	Low	56 Å²	56	88.8 Å²	88.8	29%	0.287	43%	0.425	S	S	.	.	H	α-helix	trans	-59	-45.7	175.4	-73.5	169.8	0	0	0	110.8	F107 W108 L113 C114 F115	F107-I111 HydrophobicContact CD1-CD1 4.02Å; F107-I111 HydrophobicContact CD2-CD1 4.47Å; F107-I111 HydrophobicContact CE1-CD1 3.51Å; F107-I111 HydrophobicContact CE2-CD1 4Å; F107-I111 HydrophobicContact CE2-CG1 4.44Å; F107-I111 HydrophobicContact CG-CD1 4.49Å; F107-I111 HydrophobicContact CZ-CD1 3.52Å; F107-I111 HydrophobicContact CZ-CG1 4.41Å; F107-I111 PolarHBondContact O-N 2.78Å; W108-I111 HydrophobicContact CE3-CD1 4.45Å; W108-I111 PolarHBondContact O-N 3.22Å; I111-L113 PolarHBondContact O-N 2.98Å; I111-C114 PolarHBondContact O-N 3.12Å; I111-F115 WeakPolarHBondContact O-CB 3.31Å; I111-F115 PolarHBondContact O-N 3.01Å
112	Y	62.4	Low	58.2	Low	143 Å²	143	90.5 Å²	90.5	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-62	-41.3	178.5	177.8	-100.5	0	0	0	112.3	W108 I109 M110 F115 R116	W108-Y112 WeakPolarHBondContact O-CB 3.28Å; W108-Y112 PolarHBondContact O-N 2.83Å; I109-Y112 PolarHBondContact O-N 3.23Å; M110-Y112 VanDerWaalsContact C-N 3.33Å; M110-Y112 PolarHBondContact O-N 3.48Å; Y112-F115 PolarHBondContact O-N 3.45Å; Y112-R116 VanDerWaalsContact O-CB 3.3Å; Y112-R116 WeakPolarHBondContact O-CB 3.38Å; Y112-R116 PolarHBondContact O-N 2.83Å
113	L	55.8	Low	58.5	Low	38 Å²	38	91.5 Å²	91.5	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-64.6	-46.6	174.8	-73.9	167.6	0	0	0	111.9	I109 M110 I111 F115 R116 V117 M586	I109-L113 HydrophobicContact CG2-CD1 3.96Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 WeakPolarHBondContact O-CG 3.45Å; I109-L113 PolarHBondContact O-N 3.47Å; M110-L113 PolarHBondContact O-N 3.03Å; I111-L113 PolarHBondContact O-N 2.98Å; L113-F115 VanDerWaalsContact C-N 3.35Å; L113-F115 PolarHBondContact O-N 2.64Å; L113-R116 PolarHBondContact O-N 2.69Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 2.67Å; L113-M586 HydrophobicContact CD1-CE 4.22Å; L113-M586 HydrophobicContact CD1-SD 3.66Å
114	C	55.7	Low	59	Low	58 Å²	58	90.4 Å²	90.4	39%	0.392	42%	0.424	S	S	.	.	H	α-helix	trans	-59	-44.6	175.5	-70.8	0	0	0	0	112	M110 I111 R116 V117 F118	M110-C114 PolarHBondContact O-N 3.27Å; M110-C114 PolarHBondContact O-SG 3.11Å; M110-C114 VanDerWaalsContact O-SG 3.37Å; I111-C114 PolarHBondContact O-N 3.12Å; C114-R116 PolarHBondContact O-N 3.33Å; C114-V117 PolarHBondContact O-N 2.93Å; C114-F118 WeakPolarHBondContact O-CB 3.19Å; C114-F118 PolarHBondContact O-N 2.95Å
115	F	57.7	Low	59.1	Low	134 Å²	134	90.2 Å²	90.2	59%	0.588	42%	0.418	S	S	*	.	H	α-helix	trans	-63.6	-39.8	176.3	-174.6	-94.9	0	0	0	112	I111 Y112 L113 F118 Y119	I111-F115 WeakPolarHBondContact O-CB 3.31Å; I111-F115 PolarHBondContact O-N 3.01Å; Y112-F115 PolarHBondContact O-N 3.45Å; L113-F115 VanDerWaalsContact C-N 3.35Å; L113-F115 PolarHBondContact O-N 2.64Å; F115-F118 PolarHBondContact O-N 3.45Å; F115-Y119 WeakPolarHBondContact O-CB 3.44Å; F115-Y119 PolarHBondContact O-N 3.45Å
116	R	61.7	Low	59.4	Low	114 Å²	114	88.7 Å²	88.7	43%	0.43	42%	0.417	S	S	.	.	H	α-helix	trans	-64.3	-43.5	177	-172.2	175.2	-177.3	172	1	112.1	Y112 L113 C114 Y119 T120	Y112-R116 VanDerWaalsContact O-CB 3.3Å; Y112-R116 WeakPolarHBondContact O-CB 3.38Å; Y112-R116 PolarHBondContact O-N 2.83Å; L113-R116 PolarHBondContact O-N 2.69Å; C114-R116 PolarHBondContact O-N 3.33Å; R116-Y119 PolarHBondContact O-N 2.75Å; R116-T120 PolarHBondContact O-N 2.91Å; R116-T120 PolarHBondContact O-OG1 3.35Å; R116-T120 VanDerWaalsContact O-OG1 3.1Å
117	V	59	Low	59.9	Low	76 Å²	76	84.6 Å²	84.6	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-44.7	175.5	172.7	0	0	0	0	111	L113 C114 Y119 T120 F121	L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 2.67Å; C114-V117 PolarHBondContact O-N 2.93Å; V117-Y119 PolarHBondContact O-N 2.92Å; V117-T120 WeakPolarHBondContact CA-OG1 3.38Å; V117-T120 PolarHBondContact O-N 2.82Å; V117-T120 PolarHBondContact O-OG1 2.9Å; V117-F121 PolarHBondContact O-N 3.28Å
118	F	56.4	Low	59.8	Low	109 Å²	109	83.6 Å²	83.6	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-41.7	176.1	-179.6	-107.5	0	0	0	112.5	C114 F115 F121 L122	C114-F118 WeakPolarHBondContact O-CB 3.19Å; C114-F118 PolarHBondContact O-N 2.95Å; F115-F118 PolarHBondContact O-N 3.45Å; F118-F121 WeakPolarHBondContact O-CB 3.04Å; F118-F121 PolarHBondContact O-N 3.38Å; F118-L122 HydrophobicContact CD1-CD1 4.1Å; F118-L122 HydrophobicContact CE1-CD1 3.53Å; F118-L122 HydrophobicContact CE1-CG 4.23Å; F118-L122 HydrophobicContact CE2-CG 4.48Å; F118-L122 HydrophobicContact CZ-CD1 3.81Å; F118-L122 HydrophobicContact CZ-CD2 4.37Å; F118-L122 HydrophobicContact CZ-CG 4.17Å; F118-L122 PolarHBondContact O-N 3.06Å
119	Y	57.1	Low	59.5	Low	145 Å²	145	79 Å²	79	57%	0.569	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-43.8	174.6	-179.7	-95.1	0	0	0	112.1	F115 R116 V117 F121 L122 F123	F115-Y119 WeakPolarHBondContact O-CB 3.44Å; F115-Y119 PolarHBondContact O-N 3.45Å; R116-Y119 PolarHBondContact O-N 2.75Å; V117-Y119 PolarHBondContact O-N 2.92Å; Y119-F121 VanDerWaalsContact C-N 3.31Å; Y119-F121 PolarHBondContact O-N 3.48Å; Y119-L122 PolarHBondContact O-N 3.02Å; Y119-F123 PolarHBondContact O-N 3.1Å
120	T	56.8	Low	59.1	Low	63 Å²	63	79 Å²	79	39%	0.387	40%	0.402	S	S	.	.	H	α-helix	trans	-64.4	-34.6	174.4	44.4	0	0	0	0	112.8	R116 V117 F123 T124	R116-T120 PolarHBondContact O-N 2.91Å; R116-T120 PolarHBondContact O-OG1 3.35Å; R116-T120 VanDerWaalsContact O-OG1 3.1Å; V117-T120 WeakPolarHBondContact CA-OG1 3.38Å; V117-T120 PolarHBondContact O-N 2.82Å; V117-T120 PolarHBondContact O-OG1 2.9Å; T120-F123 PolarHBondContact O-N 3.02Å; T120-T124 PolarHBondContact O-N 3.35Å; T120-T124 PolarHBondContact O-OG1 2.95Å
121	F	54.7	Low	59.1	Low	73 Å²	73	79.3 Å²	79.3	32%	0.32	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-46.2	175.1	179.9	-109	0	0	0	111.9	V117 F118 Y119 F123 T124 I125	V117-F121 PolarHBondContact O-N 3.28Å; F118-F121 WeakPolarHBondContact O-CB 3.04Å; F118-F121 PolarHBondContact O-N 3.38Å; Y119-F121 VanDerWaalsContact C-N 3.31Å; Y119-F121 PolarHBondContact O-N 3.48Å; F121-F123 VanDerWaalsContact C-N 3.3Å; F121-F123 PolarHBondContact O-N 3.05Å; F121-T124 WeakPolarHBondContact CA-OG1 3.21Å; F121-T124 PolarHBondContact O-N 2.81Å; F121-T124 PolarHBondContact O-OG1 2.83Å; F121-I125 HydrophobicContact CD1-CD1 3.97Å; F121-I125 HydrophobicContact CE1-CD1 3.46Å; F121-I125 VanDerWaalsContact CE1-CD1 3.46Å; F121-I125 HydrophobicContact CE2-CD1 4.22Å; F121-I125 HydrophobicContact CZ-CD1 3.61Å; F121-I125 PolarHBondContact O-N 3.32Å
122	L	60.6	Low	58.8	Low	82 Å²	82	79.2 Å²	79.2	43%	0.429	40%	0.401	S	S	.	.	H	α-helix	trans	-61.3	-37.5	173.4	-70.3	-179.8	0	0	0	112.5	F118 Y119 I125 S126	F118-L122 HydrophobicContact CD1-CD1 4.1Å; F118-L122 HydrophobicContact CE1-CD1 3.53Å; F118-L122 HydrophobicContact CE1-CG 4.23Å; F118-L122 HydrophobicContact CE2-CG 4.48Å; F118-L122 HydrophobicContact CZ-CD1 3.81Å; F118-L122 HydrophobicContact CZ-CD2 4.37Å; F118-L122 HydrophobicContact CZ-CG 4.17Å; F118-L122 PolarHBondContact O-N 3.06Å; Y119-L122 PolarHBondContact O-N 3.02Å; L122-I125 PolarHBondContact O-N 3.08Å; L122-S126 PolarHBondContact O-N 3.46Å
123	F	65.3	Low	58.2	Low	93 Å²	93	77 Å²	77	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-46.2	173.3	-176.4	-95.9	0	0	0	111.8	Y119 T120 F121 I125 S126 V127	Y119-F123 PolarHBondContact O-N 3.1Å; T120-F123 PolarHBondContact O-N 3.02Å; F121-F123 VanDerWaalsContact C-N 3.3Å; F121-F123 PolarHBondContact O-N 3.05Å; F123-I125 VanDerWaalsContact C-N 3.28Å; F123-I125 PolarHBondContact O-N 3.34Å; F123-S126 PolarHBondContact O-N 2.93Å; F123-S126 VanDerWaalsContact O-N 3.13Å; F123-S126 PolarHBondContact O-OG 2.76Å; F123-V127 HydrophobicContact CD1-CG2 4.16Å; F123-V127 HydrophobicContact CE1-CG2 3.76Å; F123-V127 HydrophobicContact CE2-CG2 4.43Å; F123-V127 HydrophobicContact CZ-CG2 3.91Å; F123-V127 WeakPolarHBondContact O-CG2 3.34Å; F123-V127 PolarHBondContact O-N 3.5Å
124	T	58.3	Low	57.8	Low	50 Å²	50	77 Å²	77	31%	0.307	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-33.6	175.8	48.8	0	0	0	0	113	T120 F121 G128 I575	T120-T124 PolarHBondContact O-N 3.35Å; T120-T124 PolarHBondContact O-OG1 2.95Å; F121-T124 WeakPolarHBondContact CA-OG1 3.21Å; F121-T124 PolarHBondContact O-N 2.81Å; F121-T124 PolarHBondContact O-OG1 2.83Å; T124-G128 PolarHBondContact O-N 2.76Å; T124-I575 HydrophobicContact CG2-CD1 3.7Å
125	I	61.3	Low	57.7	Low	72 Å²	72	79.7 Å²	79.7	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-68.2	-40.8	172.7	-73.1	175.1	0	0	0	111.4	F121 L122 F123 G128 L129	F121-I125 HydrophobicContact CD1-CD1 3.97Å; F121-I125 HydrophobicContact CE1-CD1 3.46Å; F121-I125 VanDerWaalsContact CE1-CD1 3.46Å; F121-I125 HydrophobicContact CE2-CD1 4.22Å; F121-I125 HydrophobicContact CZ-CD1 3.61Å; F121-I125 PolarHBondContact O-N 3.32Å; L122-I125 PolarHBondContact O-N 3.08Å; F123-I125 VanDerWaalsContact C-N 3.28Å; F123-I125 PolarHBondContact O-N 3.34Å; I125-G128 PolarHBondContact O-N 3.43Å; I125-L129 HydrophobicContact CG2-CD1 3.86Å; I125-L129 HydrophobicContact CG2-CG 4.38Å; I125-L129 WeakPolarHBondContact O-CB 3.43Å; I125-L129 WeakPolarHBondContact O-CG 3.46Å; I125-L129 PolarHBondContact O-N 2.7Å
126	S	62.3	Low	57.3	Low	55 Å²	55	79.4 Å²	79.4	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-68.3	-37.2	178.7	71.2	0	0	0	0	112.2	L122 F123 S130	L122-S126 PolarHBondContact O-N 3.46Å; F123-S126 PolarHBondContact O-N 2.93Å; F123-S126 VanDerWaalsContact O-N 3.13Å; F123-S126 PolarHBondContact O-OG 2.76Å; S126-S130 WeakPolarHBondContact O-CB 3.35Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 2.9Å
127	V	62.4	Low	56.8	Low	45 Å²	45	75.5 Å²	75.5	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-66	-44.8	171.9	174.8	0	0	0	0	110.9	F123 L129 S130 F131	F123-V127 HydrophobicContact CD1-CG2 4.16Å; F123-V127 HydrophobicContact CE1-CG2 3.76Å; F123-V127 HydrophobicContact CE2-CG2 4.43Å; F123-V127 HydrophobicContact CZ-CG2 3.91Å; F123-V127 WeakPolarHBondContact O-CG2 3.34Å; F123-V127 PolarHBondContact O-N 3.5Å; V127-L129 PolarHBondContact O-N 3.32Å; V127-S130 CarbonylContact O-C 3.58Å; V127-S130 WeakPolarHBondContact O-CB 3.41Å; V127-S130 PolarHBondContact O-N 3.17Å; V127-F131 PolarHBondContact O-N 3.22Å
128	G	56.8	Low	56.2	Low	31 Å²	31	78.5 Å²	78.5	32%	0.32	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-42.9	176.3	0	0	0	0	0	113.4	T124 I125 F131 I132	T124-G128 PolarHBondContact O-N 2.76Å; I125-G128 PolarHBondContact O-N 3.43Å; G128-F131 WeakPolarHBondContact O-CB 3.42Å; G128-F131 PolarHBondContact O-N 3.32Å; G128-I132 WeakPolarHBondContact O-CG1 3.25Å; G128-I132 PolarHBondContact O-N 3.22Å
129	L	60.5	Low	55.6	Low	78 Å²	78	76.7 Å²	76.7	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-40.3	172.7	-75.4	168.9	0	0	0	111.8	I125 V127 F131 I132 L133 I760	I125-L129 HydrophobicContact CG2-CD1 3.86Å; I125-L129 HydrophobicContact CG2-CG 4.38Å; I125-L129 WeakPolarHBondContact O-CB 3.43Å; I125-L129 WeakPolarHBondContact O-CG 3.46Å; I125-L129 PolarHBondContact O-N 2.7Å; V127-L129 PolarHBondContact O-N 3.32Å; L129-F131 VanDerWaalsContact C-N 3.27Å; L129-F131 PolarHBondContact O-N 2.86Å; L129-I132 PolarHBondContact O-N 3.27Å; L129-L133 WeakPolarHBondContact O-CB 3.14Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.87Å; L129-I760 HydrophobicContact CD2-CD1 4.03Å
130	S	58.2	Low	54.9	Low	74 Å²	74	73 Å²	73	52%	0.517	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-33.8	174.4	-58.3	0	0	0	0	112.2	S126 V127 S134	S126-S130 WeakPolarHBondContact O-CB 3.35Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 2.9Å; V127-S130 CarbonylContact O-C 3.58Å; V127-S130 WeakPolarHBondContact O-CB 3.41Å; V127-S130 PolarHBondContact O-N 3.17Å; S130-S134 WeakPolarHBondContact O-CB 3.36Å; S130-S134 PolarHBondContact O-N 3.23Å; S130-S134 VanDerWaalsContact O-N 3.12Å
131	F	54.3	Low	54.3	Low	77 Å²	77	74.3 Å²	74.3	34%	0.338	42%	0.419	S	S	.	.	H	α-helix	trans	-70	-45.9	176.5	-159.2	-102.1	0	0	0	111.5	V127 G128 L129 S134 I135 R564 L568	V127-F131 PolarHBondContact O-N 3.22Å; G128-F131 WeakPolarHBondContact O-CB 3.42Å; G128-F131 PolarHBondContact O-N 3.32Å; L129-F131 VanDerWaalsContact C-N 3.27Å; L129-F131 PolarHBondContact O-N 2.86Å; F131-S134 CarbonylContact O-C 3.6Å; F131-S134 WeakPolarHBondContact O-CA 3.33Å; F131-S134 PolarHBondContact O-N 3.42Å; F131-S134 VanDerWaalsContact O-N 3.07Å; F131-I135 HydrophobicContact CD1-CD1 3.76Å; F131-I135 HydrophobicContact CE1-CD1 3.79Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 3.41Å; F131-R564 HydrophobicContact CE2-CB 4.37Å; F131-L568 HydrophobicContact CD1-CD1 4.49Å; F131-L568 HydrophobicContact CD2-CD1 3.83Å; F131-L568 HydrophobicContact CE1-CD1 4.28Å; F131-L568 HydrophobicContact CE2-CD1 3.59Å; F131-L568 HydrophobicContact CG-CD1 4.28Å; F131-L568 HydrophobicContact CZ-CD1 3.83Å
132	I	57.4	Low	53.8	Low	54 Å²	54	77.5 Å²	77.5	28%	0.277	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-48.7	175.4	-68.8	162	0	0	0	110.9	G128 L129 S134 I135 L757 I760	G128-I132 WeakPolarHBondContact O-CG1 3.25Å; G128-I132 PolarHBondContact O-N 3.22Å; L129-I132 PolarHBondContact O-N 3.27Å; I132-S134 PolarHBondContact O-N 3.43Å; I132-S134 VanDerWaalsContact O-N 3.1Å; I132-I135 PolarHBondContact O-N 2.83Å; I132-L757 HydrophobicContact CD1-CD2 4.32Å; I132-I760 HydrophobicContact CD1-CD1 3.86Å; I132-I760 HydrophobicContact CD1-CG2 4.3Å; I132-I760 HydrophobicContact CG2-CG2 4.12Å
133	L	49.9	Very low	52.7	Low	97 Å²	97	80 Å²	80	51%	0.508	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.4	175.6	-68.7	169.1	0	0	0	113.8	L129 L773	L129-L133 WeakPolarHBondContact O-CB 3.14Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.87Å; L133-L773 HydrophobicContact CD2-CD2 4.5Å
134	S	48.5	Very low	51.4	Low	36 Å²	36	79.2 Å²	79.2	25%	0.252	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	4.6	175.4	-175.6	0	0	0	0	113.5	S130 F131 I132 T137 R564	S130-S134 WeakPolarHBondContact O-CB 3.36Å; S130-S134 PolarHBondContact O-N 3.23Å; S130-S134 VanDerWaalsContact O-N 3.12Å; F131-S134 CarbonylContact O-C 3.6Å; F131-S134 WeakPolarHBondContact O-CA 3.33Å; F131-S134 PolarHBondContact O-N 3.42Å; F131-S134 VanDerWaalsContact O-N 3.07Å; I132-S134 PolarHBondContact O-N 3.43Å; I132-S134 VanDerWaalsContact O-N 3.1Å; S134-T137 PolarHBondContact O-OG1 2.91Å; S134-R564 VanDerWaalsContact OG-CZ 3.27Å; S134-R564 PolarHBondContact OG-NH1 2.86Å; S134-R564 PolarHBondContact OG-NH2 3.37Å
135	I	53.6	Low	50.5	Low	116 Å²	116	79.3 Å²	79.3	60%	0.595	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-31.2	172.4	-71.1	164.7	0	0	0	111.1	F131 I132 T137	F131-I135 HydrophobicContact CD1-CD1 3.76Å; F131-I135 HydrophobicContact CE1-CD1 3.79Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 3.41Å; I132-I135 PolarHBondContact O-N 2.83Å; I135-T137 PolarHBondContact O-N 3.34Å
136	E	48.3	Very low	49.4	Very low	127 Å²	127	78 Å²	78	59%	0.593	45%	0.447	S	S	*	.	S	Bend	trans	-74	50	-179.3	-161	-165.1	167.1	0	0	112.7
137	T	50.5	Low	48.3	Very low	32 Å²	32	79 Å²	79	20%	0.196	45%	0.452	C	S	.	.			trans	-139.9	44.5	-158.9	64.4	0	0	0	0	116	S134 I135 A139 T140 V141	S134-T137 PolarHBondContact O-OG1 2.91Å; I135-T137 PolarHBondContact O-N 3.34Å; T137-A139 PolarHBondContact O-N 3.44Å; T137-T140 VanDerWaalsContact CB-OG1 3.24Å; T137-T140 WeakPolarHBondContact CB-OG1 3.46Å; T137-T140 HydrophobicContact CG2-CG2 4.05Å; T137-T140 WeakPolarHBondContact O-CA 3.38Å; T137-T140 PolarHBondContact O-N 2.97Å; T137-T140 PolarHBondContact O-OG1 3.31Å; T137-T140 PolarHBondContact OG1-OG1 2.94Å; T137-V141 PolarHBondContact O-N 3.42Å
138	D	46.5	Very low	47.1	Very low	139 Å²	139	83.6 Å²	83.6	74%	0.743	47%	0.469	S	S	*	.	H	α-helix	trans	-51	-39.6	160.5	-68.6	-40.2	0	0	0	110.7	T140 V141 E142	D138-T140 PolarHBondContact O-N 3.15Å; D138-T140 VanDerWaalsContact O-N 3.12Å; D138-V141 WeakPolarHBondContact O-CA 3.49Å; D138-V141 WeakPolarHBondContact O-CB 3.34Å; D138-V141 PolarHBondContact O-N 3.41Å; D138-E142 PolarHBondContact O-N 3.03Å
139	A	44.5	Very low	46.2	Very low	71 Å²	71	86.9 Å²	86.9	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-59.7	-20.2	173	0	0	0	0	0	114.6	T137 F143	T137-A139 PolarHBondContact O-N 3.44Å; A139-F143 VanDerWaalsContact O-CB 3.3Å; A139-F143 WeakPolarHBondContact O-CB 3.29Å; A139-F143 PolarHBondContact O-N 3.29Å
140	T	42	Very low	45.1	Very low	69 Å²	69	88.2 Å²	88.2	42%	0.423	49%	0.488	S	S	.	.	H	α-helix	trans	-87.4	-28	169.6	68.1	0	0	0	0	112.7	T137 D138 F143 T144	T137-T140 VanDerWaalsContact CB-OG1 3.24Å; T137-T140 WeakPolarHBondContact CB-OG1 3.46Å; T137-T140 HydrophobicContact CG2-CG2 4.05Å; T137-T140 WeakPolarHBondContact O-CA 3.38Å; T137-T140 PolarHBondContact O-N 2.97Å; T137-T140 PolarHBondContact O-OG1 3.31Å; T137-T140 PolarHBondContact OG1-OG1 2.94Å; D138-T140 PolarHBondContact O-N 3.15Å; D138-T140 VanDerWaalsContact O-N 3.12Å; T140-F143 PolarHBondContact O-N 3.27Å; T140-T144 WeakPolarHBondContact O-CB 3.26Å; T140-T144 WeakPolarHBondContact O-CG2 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.95Å
141	V	44.2	Very low	43.9	Very low	90 Å²	90	91.5 Å²	91.5	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-44.2	172.2	-178.9	0	0	0	0	109.5	T137 D138 T144 S145	T137-V141 PolarHBondContact O-N 3.42Å; D138-V141 WeakPolarHBondContact O-CA 3.49Å; D138-V141 WeakPolarHBondContact O-CB 3.34Å; D138-V141 PolarHBondContact O-N 3.41Å; V141-T144 PolarHBondContact O-N 3.04Å; V141-T144 PolarHBondContact O-OG1 3.31Å; V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.82Å; V141-S145 PolarHBondContact O-OG 2.72Å
142	E	44.3	Very low	42.7	Very low	140 Å²	140	94.8 Å²	94.8	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-59.1	-47	169.1	-71	-166.1	127	0	0	111.8	D138 T144 S145 A146	D138-E142 PolarHBondContact O-N 3.03Å; E142-T144 PolarHBondContact O-N 3.24Å; E142-S145 WeakPolarHBondContact CA-OG 3.4Å; E142-S145 PolarHBondContact O-N 3.35Å; E142-S145 PolarHBondContact O-OG 3.49Å; E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.32Å; E142-A146 PolarHBondContact O-N 3.45Å
143	F	36.8	Very low	41.7	Very low	133 Å²	133	97.2 Å²	97.2	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-43.7	179.3	-169.2	-98.1	0	0	0	112.6	A139 T140 A146 V147	A139-F143 VanDerWaalsContact O-CB 3.3Å; A139-F143 WeakPolarHBondContact O-CB 3.29Å; A139-F143 PolarHBondContact O-N 3.29Å; T140-F143 PolarHBondContact O-N 3.27Å; F143-A146 PolarHBondContact O-N 2.84Å; F143-V147 HydrophobicContact CD1-CG2 4.25Å; F143-V147 HydrophobicContact CE1-CG2 3.96Å; F143-V147 HydrophobicContact CZ-CG2 4.18Å; F143-V147 WeakPolarHBondContact O-CB 3.28Å; F143-V147 VanDerWaalsContact O-CG2 3.3Å; F143-V147 WeakPolarHBondContact O-CG2 3.32Å; F143-V147 PolarHBondContact O-N 2.98Å
144	T	38.3	Very low	41	Very low	78 Å²	78	96.8 Å²	96.8	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-68.6	-36.6	177.3	49.8	0	0	0	0	112.6	T140 V141 E142 V147 H148	T140-T144 WeakPolarHBondContact O-CB 3.26Å; T140-T144 WeakPolarHBondContact O-CG2 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.95Å; V141-T144 PolarHBondContact O-N 3.04Å; V141-T144 PolarHBondContact O-OG1 3.31Å; E142-T144 PolarHBondContact O-N 3.24Å; T144-V147 PolarHBondContact O-N 3.39Å; T144-H148 WeakPolarHBondContact O-CB 3.35Å; T144-H148 PolarHBondContact O-N 3.22Å
145	S	40.2	Very low	40.1	Very low	52 Å²	52	101.6 Å²	101.6	36%	0.364	55%	0.548	S	S	.	.	H	α-helix	trans	-69.7	-37.9	175.5	64.1	0	0	0	0	112	V141 E142 N149	V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.82Å; V141-S145 PolarHBondContact O-OG 2.72Å; E142-S145 WeakPolarHBondContact CA-OG 3.4Å; E142-S145 PolarHBondContact O-N 3.35Å; E142-S145 PolarHBondContact O-OG 3.49Å; S145-N149 VanDerWaalsContact O-CB 3.24Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 3Å; S145-N149 PolarHBondContact O-ND2 3.37Å
146	A	37.9	Very low	39	Very low	43 Å²	43	100.1 Å²	100.1	36%	0.355	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-38.8	173.1	0	0	0	0	0	112.7	E142 F143	E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.32Å; E142-A146 PolarHBondContact O-N 3.45Å; F143-A146 PolarHBondContact O-N 2.84Å
147	V	39.8	Very low	38.4	Very low	78 Å²	78	97.1 Å²	97.1	47%	0.473	53%	0.534	S	S	.	.	H	α-helix	trans	-73.5	-41.4	177.5	170.9	0	0	0	0	112.1	F143 T144	F143-V147 HydrophobicContact CD1-CG2 4.25Å; F143-V147 HydrophobicContact CE1-CG2 3.96Å; F143-V147 HydrophobicContact CZ-CG2 4.18Å; F143-V147 WeakPolarHBondContact O-CB 3.28Å; F143-V147 VanDerWaalsContact O-CG2 3.3Å; F143-V147 WeakPolarHBondContact O-CG2 3.32Å; F143-V147 PolarHBondContact O-N 2.98Å; T144-V147 PolarHBondContact O-N 3.39Å
148	H	37.6	Very low	37.6	Very low	140 Å²	140	104.3 Å²	104.3	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-74.9	-41.4	-179.9	-83.6	27.5	0	0	0	113.7	T144 N150 H151	T144-H148 WeakPolarHBondContact O-CB 3.35Å; T144-H148 PolarHBondContact O-N 3.22Å; H148-N150 VanDerWaalsContact C-N 3.3Å; H148-N150 PolarHBondContact O-N 2.8Å; H148-H151 PolarHBondContact O-N 3.36Å; H148-H151 VanDerWaalsContact O-N 3.08Å
149	N	37.3	Very low	36.9	Very low	101 Å²	101	101.3 Å²	101.3	54%	0.54	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-36.1	-175.9	-75.2	-24.8	0	0	0	112.8	S145 H151 F152 V153	S145-N149 VanDerWaalsContact O-CB 3.24Å; S145-N149 WeakPolarHBondContact O-CB 3.29Å; S145-N149 PolarHBondContact O-N 3Å; S145-N149 PolarHBondContact O-ND2 3.37Å; N149-H151 PolarHBondContact O-N 2.98Å; N149-F152 PolarHBondContact O-N 3.16Å; N149-V153 WeakPolarHBondContact O-CG2 3.37Å; N149-V153 PolarHBondContact O-N 3.01Å
150	N	36.2	Very low	36.3	Very low	106 Å²	106	104.5 Å²	104.5	57%	0.567	56%	0.56	S	S	*	*	H	α-helix	trans	-66.2	-22.8	177.8	-72.6	-2.6	0	0	0	113.5	H148 T154	H148-N150 VanDerWaalsContact C-N 3.3Å; H148-N150 PolarHBondContact O-N 2.8Å; N150-T154 PolarHBondContact O-OG1 3.47Å; N150-T154 VanDerWaalsContact O-OG1 3.08Å
151	H	33	Very low	35.9	Very low	143 Å²	143	111.1 Å²	111.1	66%	0.662	58%	0.578	S	S	*	*	H	α-helix	trans	-92.5	-7.6	-176.1	-143.9	-55.9	0	0	0	113.8	H148 N149	H148-H151 PolarHBondContact O-N 3.36Å; H148-H151 VanDerWaalsContact O-N 3.08Å; N149-H151 PolarHBondContact O-N 2.98Å
152	F	30.6	Very low	35.1	Very low	146 Å²	146	114.8 Å²	114.8	64%	0.64	60%	0.595	S	S	*	*	H	α-helix	trans	-108.6	-36	-177.6	-146.9	-105.1	0	0	0	112.8	N149 T154 M155 N156	N149-F152 PolarHBondContact O-N 3.16Å; F152-T154 VanDerWaalsContact C-N 3.29Å; F152-T154 PolarHBondContact O-N 2.83Å; F152-M155 PolarHBondContact O-N 3.16Å; F152-N156 VanDerWaalsContact CE1-ND2 3.3Å; F152-N156 WeakPolarHBondContact CE1-ND2 3.08Å; F152-N156 PolarHBondContact O-N 3.47Å
153	V	35.5	Very low	34.5	Very low	105 Å²	105	110.6 Å²	110.6	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-67.1	-29.2	179	175.1	0	0	0	0	112.4	N149 S157	N149-V153 WeakPolarHBondContact O-CG2 3.37Å; N149-V153 PolarHBondContact O-N 3.01Å; V153-S157 PolarHBondContact O-OG 3.45Å
154	T	34.4	Very low	34	Very low	87 Å²	87	112.2 Å²	112.2	53%	0.534	60%	0.604	S	S	.	*	H	α-helix	trans	-77.4	-18.3	-177.8	40	0	0	0	0	114.5	N150 F152	N150-T154 PolarHBondContact O-OG1 3.47Å; N150-T154 VanDerWaalsContact O-OG1 3.08Å; F152-T154 VanDerWaalsContact C-N 3.29Å; F152-T154 PolarHBondContact O-N 2.83Å
155	M	31.4	Very low	33.8	Very low	138 Å²	138	116.2 Å²	116.2	68%	0.68	62%	0.62	S	S	*	*	H	α-helix	trans	-96.4	-42.3	175.1	-70.1	-172.1	124.7	0	0	112.6	F152 S157 F158	F152-M155 PolarHBondContact O-N 3.16Å; M155-S157 PolarHBondContact O-N 3.25Å; M155-F158 PolarHBondContact O-N 2.83Å
156	N	30.8	Very low	33.3	Very low	85 Å²	85	116.8 Å²	116.8	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-74.4	-10.4	-177.1	-70.7	-12.8	0	0	0	114.6	F152 S159	F152-N156 VanDerWaalsContact CE1-ND2 3.3Å; F152-N156 WeakPolarHBondContact CE1-ND2 3.08Å; F152-N156 PolarHBondContact O-N 3.47Å; N156-S159 PolarHBondContact O-OG 2.89Å
157	S	35	Very low	32.8	Very low	63 Å²	63	120.3 Å²	120.3	44%	0.441	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-21.1	172.7	41.8	0	0	0	0	113.4	V153 M155	V153-S157 PolarHBondContact O-OG 3.45Å; M155-S157 PolarHBondContact O-N 3.25Å
158	F	32.6	Very low	32.1	Very low	184 Å²	184	128 Å²	128	81%	0.807	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-21.5	179.7	-97.9	-87.7	0	0	0	114.3	M155	M155-F158 PolarHBondContact O-N 2.83Å
159	S	32.7	Very low	31.8	Very low	76 Å²	76	129.9 Å²	129.9	53%	0.531	69%	0.691	S	S	.	*	S	Bend	trans	-83.2	-14.6	-175.7	53	0	0	0	0	115.2	N156	N156-S159 PolarHBondContact O-OG 2.89Å
160	N	32.5	Very low	31.3	Very low	137 Å²	137	130 Å²	130	73%	0.733	70%	0.7	S	S	*	*	S	Bend	trans	-99.1	-1.2	-173.1	-85.1	-20.6	0	0	0	115.3	N162	N160-N162 VanDerWaalsContact C-N 3.27Å; N160-N162 PolarHBondContact O-N 3.44Å; N160-N162 VanDerWaalsContact O-N 3.12Å
161	Y	32.6	Very low	30.8	Very low	208 Å²	208	132 Å²	132	82%	0.816	71%	0.71	S	S	*	*			trans	-87.5	51.4	178.3	-91	-81.5	0	0	0	113.7	G163	Y161-G163 PolarHBondContact O-N 3.06Å
162	N	27.8	Very low	30.5	Very low	168 Å²	168	129.7 Å²	129.7	90%	0.898	71%	0.708	S	S	*	*			trans	-73.7	73.8	163.3	-88.4	-26.2	0	0	0	109.7	N160	N160-N162 VanDerWaalsContact C-N 3.27Å; N160-N162 PolarHBondContact O-N 3.44Å; N160-N162 VanDerWaalsContact O-N 3.12Å
163	G	32.3	Very low	30.3	Very low	51 Å²	51	125.8 Å²	125.8	53%	0.526	70%	0.698	S	S	.	*			trans	-144.6	85.3	-169.7	0	0	0	0	0	113.6	Y161 I165	Y161-G163 PolarHBondContact O-N 3.06Å; G163-I165 PolarHBondContact O-N 2.77Å
164	N	26.2	Very low	30	Very low	168 Å²	168	127.6 Å²	127.6	90%	0.898	71%	0.709	S	S	*	*			trans	-42.9	97.8	174.4	177.5	30.8	0	0	0	114.4
165	I	34.2	Very low	29.8	Very low	161 Å²	161	130.2 Å²	130.2	83%	0.826	72%	0.718	S	S	*	*			trans	-134.4	127.6	169	-62.8	-177.6	0	0	0	109.1	G163	G163-I165 PolarHBondContact O-N 2.77Å
166	G	28	Very low	29.6	Very low	65 Å²	65	128.6 Å²	128.6	67%	0.67	71%	0.712	S	S	*	*			trans	-84.1	-176.3	-172	0	0	0	0	0	116	R168	G166-R168 PolarHBondContact O-N 2.92Å
167	S	27.6	Very low	29.5	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	73%	0.725	S	S	*	*	S	Bend	trans	-63	112.6	-175.2	53.8	0	0	0	0	114.3
168	R	26.7	Very low	29.2	Very low	238 Å²	238	133.5 Å²	133.5	90%	0.898	73%	0.734	S	S	*	*			trans	169.9	84.9	140.1	-95.4	167.7	-179	-151.1	2	111.6	G166	G166-R168 PolarHBondContact O-N 2.92Å
169	L	30.4	Very low	28.9	Very low	180 Å²	180	130.3 Å²	130.3	94%	0.942	73%	0.73	S	S	*	*			trans	-150.1	144.5	156.9	-106.2	129.5	0	0	0	110.5
170	S	27.2	Very low	28.8	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	73%	0.725	S	S	*	*			trans	-77.5	169.5	-177.1	49.6	0	0	0	0	112.9
171	L	26.3	Very low	28.8	Very low	149 Å²	149	127.5 Å²	127.5	78%	0.78	71%	0.712	S	S	*	*			trans	-28.3	140.5	168.8	-105.8	67.1	0	0	0	114.3
172	P	25.9	Very low	28.9	Very low	95 Å²	95	123.1 Å²	123.1	62%	0.617	71%	0.707	S	S	*	*				-103.7	158	95.1	-19.6	34.3	0	0	0	114.9	N176	P172-N176 HydrophobicContact CB-CB 3.9Å
173	S	27	Very low	29.3	Very low	63 Å²	63	119.3 Å²	119.3	44%	0.441	69%	0.686	S	S	.	*			trans	-71.3	166.4	166	55.9	0	0	0	0	111.5	M175 N176	S173-M175 PolarHBondContact O-N 2.95Å; S173-N176 PolarHBondContact O-N 2.72Å
174	V	29.5	Very low	29.5	Very low	143 Å²	143	120.3 Å²	120.3	87%	0.867	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	25.9	175.1	-161.1	0	0	0	0	112.5
175	M	29.5	Very low	30	Very low	143 Å²	143	114.1 Å²	114.1	70%	0.704	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-19	168.4	-74.2	171.6	154.2	0	0	112.1	S173 T177 M178	S173-M175 PolarHBondContact O-N 2.95Å; M175-T177 PolarHBondContact O-N 3.41Å; M175-M178 WeakPolarHBondContact O-CB 3.07Å; M175-M178 PolarHBondContact O-N 2.76Å
176	N	27.2	Very low	30.3	Very low	104 Å²	104	110.8 Å²	110.8	56%	0.556	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	5.2	-173.7	-79.6	19.5	0	0	0	115.4	P172 S173 T179	P172-N176 HydrophobicContact CB-CB 3.9Å; S173-N176 PolarHBondContact O-N 2.72Å; N176-T179 WeakPolarHBondContact O-CG2 3.45Å
177	T	28.6	Very low	30.9	Very low	119 Å²	119	117.4 Å²	117.4	73%	0.73	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	8.2	160	44.2	0	0	0	0	112.8	M175 T179	M175-T177 PolarHBondContact O-N 3.41Å; T177-T179 PolarHBondContact O-N 3.09Å
178	M	27.8	Very low	31.6	Very low	131 Å²	131	116.4 Å²	116.4	65%	0.645	62%	0.622	S	S	*	*			trans	-74.7	22.8	169.4	-158.9	169.8	-156.2	0	0	112.8	M175 L180 T181	M175-M178 WeakPolarHBondContact O-CB 3.07Å; M175-M178 PolarHBondContact O-N 2.76Å; M178-L180 PolarHBondContact O-N 3.17Å; M178-T181 HydrophobicContact CE-CG2 3.9Å; M178-T181 HydrophobicContact CG-CG2 3.42Å; M178-T181 VanDerWaalsContact CG-CG2 3.42Å; M178-T181 PolarHBondContact O-N 3.24Å; M178-T181 PolarHBondContact O-OG1 3.45Å; M178-T181 HydrophobicContact SD-CG2 4.37Å
179	T	27.5	Very low	32.3	Very low	117 Å²	117	114.8 Å²	114.8	72%	0.718	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	46.1	-172.3	36.4	0	0	0	0	114.7	N176 T177	N176-T179 WeakPolarHBondContact O-CG2 3.45Å; T177-T179 PolarHBondContact O-N 3.09Å
180	L	30.1	Very low	32.7	Very low	82 Å²	82	109.9 Å²	109.9	43%	0.429	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-156	10.5	152.2	-146.4	70.8	0	0	0	114.8	M178 T182 D183 I184	M178-L180 PolarHBondContact O-N 3.17Å; L180-T182 PolarHBondContact O-N 3.36Å; L180-D183 HydrophobicContact CD1-CB 3.87Å; L180-D183 HydrophobicContact CG-CB 3.78Å; L180-D183 PolarHBondContact O-N 2.88Å; L180-D183 VanDerWaalsContact O-N 3.12Å; L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.33Å; L180-I184 HydrophobicContact CD2-CG1 4.3Å; L180-I184 HydrophobicContact CG-CG1 4.42Å; L180-I184 WeakPolarHBondContact O-CB 3.46Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.23Å; L180-I184 PolarHBondContact O-N 2.85Å
181	T	31.8	Very low	33.3	Very low	73 Å²	73	106.9 Å²	106.9	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-66.4	-23.9	-173.4	51	0	0	0	0	114.4	M178 G185	M178-T181 HydrophobicContact CE-CG2 3.9Å; M178-T181 HydrophobicContact CG-CG2 3.42Å; M178-T181 VanDerWaalsContact CG-CG2 3.42Å; M178-T181 PolarHBondContact O-N 3.24Å; M178-T181 PolarHBondContact O-OG1 3.45Å; M178-T181 HydrophobicContact SD-CG2 4.37Å; T181-G185 PolarHBondContact O-N 3.32Å
182	T	34.8	Very low	34.3	Very low	116 Å²	116	105.5 Å²	105.5	71%	0.712	58%	0.578	S	S	*	*	H	α-helix	trans	-69.1	-44.4	170.5	44.5	0	0	0	0	112.6	L180 G185 N186	L180-T182 PolarHBondContact O-N 3.36Å; T182-G185 WeakPolarHBondContact O-CA 3.33Å; T182-G185 PolarHBondContact O-N 2.98Å; T182-N186 PolarHBondContact O-N 3.4Å
183	D	36.3	Very low	35.4	Very low	88 Å²	88	106.8 Å²	106.8	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-78.3	-34.1	-178.5	-120.6	-7.3	0	0	0	112.5	L180 G185 N186 R187	L180-D183 HydrophobicContact CD1-CB 3.87Å; L180-D183 HydrophobicContact CG-CB 3.78Å; L180-D183 PolarHBondContact O-N 2.88Å; L180-D183 VanDerWaalsContact O-N 3.12Å; D183-G185 VanDerWaalsContact C-N 3.26Å; D183-G185 PolarHBondContact O-N 3.46Å; D183-N186 PolarHBondContact O-N 2.05Å; D183-R187 PolarHBondContact O-N 3.19Å
184	I	37.8	Very low	36.4	Very low	71 Å²	71	108.9 Å²	108.9	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-57.3	-43.9	163.7	-68.8	167.7	0	0	0	109.4	L180 N186 R187 W188	L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.33Å; L180-I184 HydrophobicContact CD2-CG1 4.3Å; L180-I184 HydrophobicContact CG-CG1 4.42Å; L180-I184 WeakPolarHBondContact O-CB 3.46Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.23Å; L180-I184 PolarHBondContact O-N 2.85Å; I184-N186 PolarHBondContact O-N 3.49Å; I184-N186 VanDerWaalsContact O-N 3.16Å; I184-R187 PolarHBondContact O-N 3.07Å; I184-W188 HydrophobicContact CG2-CG 4.26Å; I184-W188 WeakPolarHBondContact O-CB 3.36Å; I184-W188 PolarHBondContact O-N 3.47Å
185	G	36.5	Very low	37.2	Very low	39 Å²	39	104 Å²	104	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-56.4	-28.7	175.8	0	0	0	0	0	114.5	T181 T182 D183 R189	T181-G185 PolarHBondContact O-N 3.32Å; T182-G185 WeakPolarHBondContact O-CA 3.33Å; T182-G185 PolarHBondContact O-N 2.98Å; D183-G185 VanDerWaalsContact C-N 3.26Å; D183-G185 PolarHBondContact O-N 3.46Å; G185-R189 WeakPolarHBondContact O-CG 3.05Å
186	N	40.3	Very low	38.2	Very low	91 Å²	91	101.4 Å²	101.4	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-87	-46.8	175	-70.4	-28.4	0	0	0	112.4	T182 D183 I184 W188 R189	T182-N186 PolarHBondContact O-N 3.4Å; D183-N186 PolarHBondContact O-N 2.05Å; I184-N186 PolarHBondContact O-N 3.49Å; I184-N186 VanDerWaalsContact O-N 3.16Å; N186-W188 PolarHBondContact O-N 3.21Å; N186-R189 PolarHBondContact O-N 2.68Å; N186-R189 PolarHBondContact OD1-NH2 3.39Å
187	R	39.2	Very low	39.4	Very low	204 Å²	204	98.9 Å²	98.9	77%	0.77	53%	0.526	S	S	*	.	H	α-helix	trans	-60.4	-27.8	177.4	-79.4	-174.3	168	-162.9	-4.9	113.6	D183 I184	D183-R187 PolarHBondContact O-N 3.19Å; I184-R187 PolarHBondContact O-N 3.07Å
188	W	43.6	Very low	40.3	Very low	96 Å²	96	94.9 Å²	94.9	36%	0.364	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.8	-176.1	-71.8	69.7	0	0	0	115	I184 N186 G190 A191 V195 L196	I184-W188 HydrophobicContact CG2-CG 4.26Å; I184-W188 WeakPolarHBondContact O-CB 3.36Å; I184-W188 PolarHBondContact O-N 3.47Å; N186-W188 PolarHBondContact O-N 3.21Å; W188-G190 PolarHBondContact O-N 3.46Å; W188-G190 VanDerWaalsContact O-N 3.15Å; W188-A191 HydrophobicContact CB-CB 4.33Å; W188-A191 HydrophobicContact CD2-CB 4.23Å; W188-A191 HydrophobicContact CE3-CB 3.5Å; W188-A191 HydrophobicContact CZ3-CB 4.16Å; W188-A191 WeakPolarHBondContact O-CB 3.45Å; W188-A191 PolarHBondContact O-N 2.97Å; W188-V195 HydrophobicContact CH2-CG1 4.11Å; W188-V195 HydrophobicContact CZ3-CB 4.08Å; W188-V195 HydrophobicContact CZ3-CG1 3.67Å; W188-L196 HydrophobicContact CE3-CD1 4.13Å
189	R	40.5	Very low	41.4	Very low	204 Å²	204	90.4 Å²	90.4	77%	0.77	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.8	176.5	-68	-168.8	-173.4	-168.6	5.5	114.2	G185 N186	G185-R189 WeakPolarHBondContact O-CG 3.05Å; N186-R189 PolarHBondContact O-N 2.68Å; N186-R189 PolarHBondContact OD1-NH2 3.39Å
190	G	39.5	Very low	42.8	Very low	77 Å²	77	91.7 Å²	91.7	79%	0.794	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.8	173.4	0	0	0	0	0	114.8	W188	W188-G190 PolarHBondContact O-N 3.46Å; W188-G190 VanDerWaalsContact O-N 3.15Å
191	A	39.1	Very low	43.7	Very low	39 Å²	39	91.9 Å²	91.9	32%	0.322	48%	0.48	S	S	.	.	S	Bend	trans	-78.4	131	-177.6	0	0	0	0	0	110.7	W188	W188-A191 HydrophobicContact CB-CB 4.33Å; W188-A191 HydrophobicContact CD2-CB 4.23Å; W188-A191 HydrophobicContact CE3-CB 3.5Å; W188-A191 HydrophobicContact CZ3-CB 4.16Å; W188-A191 WeakPolarHBondContact O-CB 3.45Å; W188-A191 PolarHBondContact O-N 2.97Å
192	K	47.9	Very low	44.6	Very low	120 Å²	120	94 Å²	94	52%	0.522	49%	0.485	S	S	.	.			trans	-64.1	139.2	175.8	-68.5	-177.4	176.3	-177.2	0	109.9	W194 V195	K192-W194 HydrophobicContact CB-CG 4.48Å; K192-W194 PolarHBondContact O-N 3.44Å; K192-V195 WeakPolarHBondContact O-CG2 3.46Å; K192-V195 PolarHBondContact O-N 3.32Å
193	V	48.8	Very low	45.7	Very low	122 Å²	122	93.1 Å²	93.1	74%	0.739	48%	0.476	S	S	*	.	H	α-helix	trans	-44.6	-36.2	-175.5	-177.1	0	0	0	0	114.2	V195 L196 E197	V193-V195 VanDerWaalsContact C-N 3.31Å; V193-V195 PolarHBondContact O-N 3.24Å; V193-L196 PolarHBondContact O-N 2.63Å; V193-E197 PolarHBondContact O-N 3.07Å; V193-E197 VanDerWaalsContact O-N 3.08Å
194	W	47.3	Very low	46.7	Very low	107 Å²	107	93.8 Å²	93.8	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-65.6	-25.6	179.1	67.9	-96.8	0	0	0	114.7	K192 A198 L785	K192-W194 HydrophobicContact CB-CG 4.48Å; K192-W194 PolarHBondContact O-N 3.44Å; W194-A198 VanDerWaalsContact O-CB 3.25Å; W194-A198 WeakPolarHBondContact O-CB 3.29Å; W194-A198 PolarHBondContact O-N 2.92Å; W194-L785 HydrophobicContact CE3-CD1 4.02Å; W194-L785 HydrophobicContact CZ3-CD1 4.35Å
195	V	47.8	Very low	47.3	Very low	42 Å²	42	92.7 Å²	92.7	26%	0.255	47%	0.474	S	S	.	.	H	α-helix	trans	-73.8	-41.1	177	-163.5	0	0	0	0	109.9	W188 K192 V193 E197 A198 A199	W188-V195 HydrophobicContact CH2-CG1 4.11Å; W188-V195 HydrophobicContact CZ3-CB 4.08Å; W188-V195 HydrophobicContact CZ3-CG1 3.67Å; K192-V195 WeakPolarHBondContact O-CG2 3.46Å; K192-V195 PolarHBondContact O-N 3.32Å; V193-V195 VanDerWaalsContact C-N 3.31Å; V193-V195 PolarHBondContact O-N 3.24Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-A198 PolarHBondContact O-N 3.27Å; V195-A199 PolarHBondContact O-N 3.41Å
196	L	50.8	Low	48.1	Very low	87 Å²	87	96.1 Å²	96.1	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-41.4	175.5	-163.4	78.4	0	0	0	111.2	W188 V193 R200	W188-L196 HydrophobicContact CE3-CD1 4.13Å; V193-L196 PolarHBondContact O-N 2.63Å; L196-R200 WeakPolarHBondContact O-CB 3.3Å; L196-R200 PolarHBondContact O-N 3.05Å
197	E	50.7	Low	49.1	Very low	52 Å²	52	96.1 Å²	96.1	24%	0.243	48%	0.482	C	S	.	.	H	α-helix	trans	-73.1	-31.9	177.5	-164.1	66.5	-174.5	0	0	112.5	V193 V195 R200 M201	V193-E197 PolarHBondContact O-N 3.07Å; V193-E197 VanDerWaalsContact O-N 3.08Å; V195-E197 VanDerWaalsContact C-N 3.34Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.74Å; E197-R200 IonicContact OE2-NE 3.98Å; E197-R200 IonicContact OE2-NH1 2.76Å; E197-R200 PolarHBondContact OE2-NH1 2.88Å; E197-M201 WeakPolarHBondContact O-CB 3.37Å; E197-M201 WeakPolarHBondContact O-CG 3.27Å; E197-M201 PolarHBondContact O-N 2.9Å
198	A	48.2	Very low	50	Low	35 Å²	35	87.7 Å²	87.7	29%	0.289	45%	0.452	S	S	.	.	H	α-helix	trans	-66.3	-45.8	173	0	0	0	0	0	111.9	W194 V195 M201 E202	W194-A198 VanDerWaalsContact O-CB 3.25Å; W194-A198 WeakPolarHBondContact O-CB 3.29Å; W194-A198 PolarHBondContact O-N 2.92Å; V195-A198 PolarHBondContact O-N 3.27Å; A198-M201 PolarHBondContact O-N 3Å; A198-E202 PolarHBondContact O-N 3.36Å
199	A	51.4	Low	50.5	Low	37 Å²	37	87.7 Å²	87.7	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-47.3	173.8	0	0	0	0	0	111.3	V195 M201 E202 D203	V195-A199 PolarHBondContact O-N 3.41Å; A199-M201 VanDerWaalsContact C-N 3.29Å; A199-M201 PolarHBondContact O-N 3.49Å; A199-E202 PolarHBondContact O-N 2.89Å; A199-D203 PolarHBondContact O-N 3.12Å
200	R	56.5	Low	51.5	Low	143 Å²	143	82 Å²	82	54%	0.54	44%	0.443	S	S	.	.	H	α-helix	trans	-55.6	-40.2	174.2	172.7	-177.4	-78.4	152.8	-9.2	113.1	L196 E197 F204	L196-R200 WeakPolarHBondContact O-CB 3.3Å; L196-R200 PolarHBondContact O-N 3.05Å; E197-R200 WeakPolarHBondContact OE2-CD 3.14Å; E197-R200 IonicContact OE2-CZ 3.74Å; E197-R200 IonicContact OE2-NE 3.98Å; E197-R200 IonicContact OE2-NH1 2.76Å; E197-R200 PolarHBondContact OE2-NH1 2.88Å; R200-F204 WeakPolarHBondContact O-CB 3.29Å; R200-F204 PolarHBondContact O-N 2.93Å
201	M	49.3	Very low	52.7	Low	87 Å²	87	83.2 Å²	83.2	43%	0.429	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-37.1	177.4	-74.5	-78.4	-178.5	0	0	111.9	E197 A198 A199 S205	E197-M201 WeakPolarHBondContact O-CB 3.37Å; E197-M201 WeakPolarHBondContact O-CG 3.27Å; E197-M201 PolarHBondContact O-N 2.9Å; A198-M201 PolarHBondContact O-N 3Å; A199-M201 VanDerWaalsContact C-N 3.29Å; A199-M201 PolarHBondContact O-N 3.49Å; M201-S205 WeakPolarHBondContact O-CB 3.49Å; M201-S205 PolarHBondContact O-N 2.92Å
202	E	50.3	Low	53.6	Low	117 Å²	117	83 Å²	83	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-52.5	174.9	-173.4	167.5	-179.7	0	0	111.2	A198 A199 F204 S205 Q206	A198-E202 PolarHBondContact O-N 3.36Å; A199-E202 PolarHBondContact O-N 2.89Å; E202-F204 VanDerWaalsContact C-N 3.28Å; E202-F204 PolarHBondContact O-N 3.46Å; E202-S205 WeakPolarHBondContact O-CA 3.34Å; E202-S205 WeakPolarHBondContact O-CB 3.43Å; E202-S205 PolarHBondContact O-N 3.31Å; E202-S205 PolarHBondContact O-OG 3.43Å; E202-Q206 PolarHBondContact O-N 3.49Å; E202-Q206 PolarHBondContact OE1-NE2 2.78Å
203	D	58	Low	54.1	Low	98 Å²	98	81.8 Å²	81.8	52%	0.524	41%	0.414	S	S	.	.	H	α-helix	trans	-52.4	-45.2	175.3	-68.6	-28.4	0	0	0	111.7	A199 Q206 T207	A199-D203 PolarHBondContact O-N 3.12Å; D203-Q206 PolarHBondContact O-N 3.16Å; D203-T207 VanDerWaalsContact O-CB 3.26Å; D203-T207 WeakPolarHBondContact O-CB 3.38Å; D203-T207 PolarHBondContact O-N 3.39Å; D203-T207 PolarHBondContact O-OG1 3.45Å
204	F	57.2	Low	54.8	Low	101 Å²	101	81.1 Å²	81.1	44%	0.443	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-39.3	177.2	-175.9	-94.7	0	0	0	112	R200 E202 T207 E208 Y930	R200-F204 WeakPolarHBondContact O-CB 3.29Å; R200-F204 PolarHBondContact O-N 2.93Å; E202-F204 VanDerWaalsContact C-N 3.28Å; E202-F204 PolarHBondContact O-N 3.46Å; F204-T207 PolarHBondContact O-N 3.4Å; F204-E208 VanDerWaalsContact O-CB 3.3Å; F204-E208 WeakPolarHBondContact O-CB 3.37Å; F204-E208 PolarHBondContact O-N 2.9Å; F204-Y930 HydrophobicContact CZ-CD1 4.45Å
205	S	50.4	Low	55.7	Low	49 Å²	49	82.9 Å²	82.9	34%	0.343	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-40.7	178.2	76.4	0	0	0	0	112.6	M201 E202 L209	M201-S205 WeakPolarHBondContact O-CB 3.49Å; M201-S205 PolarHBondContact O-N 2.92Å; E202-S205 WeakPolarHBondContact O-CA 3.34Å; E202-S205 WeakPolarHBondContact O-CB 3.43Å; E202-S205 PolarHBondContact O-N 3.31Å; E202-S205 PolarHBondContact O-OG 3.43Å; S205-L209 WeakPolarHBondContact O-CB 3.23Å; S205-L209 PolarHBondContact O-N 3.29Å
206	Q	52.6	Low	56.3	Low	111 Å²	111	82.1 Å²	82.1	52%	0.519	41%	0.41	S	S	.	.	H	α-helix	trans	-68.2	-42.5	175.1	-63.2	-172.9	21.9	0	0	111	E202 D203 L209 L210	E202-Q206 PolarHBondContact O-N 3.49Å; E202-Q206 PolarHBondContact OE1-NE2 2.78Å; D203-Q206 PolarHBondContact O-N 3.16Å; Q206-L209 PolarHBondContact O-N 2.84Å; Q206-L210 WeakPolarHBondContact O-CB 3.47Å; Q206-L210 PolarHBondContact O-N 3.13Å
207	T	61.9	Low	56.9	Low	90 Å²	90	81.1 Å²	81.1	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-61.9	-43.7	176.4	-58.9	0	0	0	0	111.7	D203 F204 L210 R211	D203-T207 VanDerWaalsContact O-CB 3.26Å; D203-T207 WeakPolarHBondContact O-CB 3.38Å; D203-T207 PolarHBondContact O-N 3.39Å; D203-T207 PolarHBondContact O-OG1 3.45Å; F204-T207 PolarHBondContact O-N 3.4Å; T207-L210 PolarHBondContact O-N 3.2Å; T207-R211 VanDerWaalsContact O-CB 3.28Å; T207-R211 WeakPolarHBondContact O-CB 3.29Å; T207-R211 PolarHBondContact O-N 2.78Å
208	E	58.4	Low	57.8	Low	27 Å²	27	81.1 Å²	81.1	13%	0.126	41%	0.413	C	S	.	.	H	α-helix	trans	-69.2	-39.9	178.6	179.2	57.1	-164.6	0	0	111.9	F204 R211 Q212 A928	F204-E208 VanDerWaalsContact O-CB 3.3Å; F204-E208 WeakPolarHBondContact O-CB 3.37Å; F204-E208 PolarHBondContact O-N 2.9Å; E208-R211 PolarHBondContact O-N 2.98Å; E208-R211 IonicContact OE1-CZ 3.69Å; E208-R211 IonicContact OE1-NE 2.63Å; E208-R211 IonicContact OE1-NH2 2.73Å; E208-R211 PolarHBondContact OE1-NH2 3.19Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 3.21Å; E208-R211 PolarHBondContact OE2-NE 3.31Å; E208-R211 IonicContact OE2-NH2 3.99Å; E208-R211 PolarHBondContact OE2-NH2 3.42Å; E208-Q212 WeakPolarHBondContact O-CB 3.37Å; E208-Q212 VanDerWaalsContact O-CG 3.3Å; E208-Q212 WeakPolarHBondContact O-CG 3.47Å; E208-Q212 PolarHBondContact O-N 3.25Å; E208-Q212 PolarHBondContact OE1-NE2 3.37Å; E208-A928 HydrophobicContact CG-CB 3.97Å
209	L	54	Low	58.7	Low	97 Å²	97	82.4 Å²	82.4	51%	0.508	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-48.9	172.9	-179.1	66.9	0	0	0	111.1	S205 Q206 R211 Q212 I213	S205-L209 WeakPolarHBondContact O-CB 3.23Å; S205-L209 PolarHBondContact O-N 3.29Å; Q206-L209 PolarHBondContact O-N 2.84Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 2.84Å; L209-Q212 PolarHBondContact O-N 3.3Å; L209-I213 HydrophobicContact CD1-CD1 4.3Å; L209-I213 HydrophobicContact CG-CD1 4.05Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 3.05Å
210	L	61.5	Low	59.3	Low	85 Å²	85	83.1 Å²	83.1	45%	0.445	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-42.2	177.5	-177.1	62.6	0	0	0	111.5	Q206 T207 Q212 I213 Q214	Q206-L210 WeakPolarHBondContact O-CB 3.47Å; Q206-L210 PolarHBondContact O-N 3.13Å; T207-L210 PolarHBondContact O-N 3.2Å; L210-Q212 VanDerWaalsContact C-N 3.35Å; L210-Q212 PolarHBondContact O-N 3.39Å; L210-I213 PolarHBondContact O-N 3.09Å; L210-Q214 HydrophobicContact CD1-CG 4.44Å; L210-Q214 WeakPolarHBondContact O-CB 3.41Å; L210-Q214 VanDerWaalsContact O-CG 3.25Å; L210-Q214 WeakPolarHBondContact O-CG 3.19Å; L210-Q214 PolarHBondContact O-N 2.89Å
211	R	64.2	Low	59.8	Low	101 Å²	101	79.2 Å²	79.2	38%	0.381	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-37.2	176	-168.7	-174.1	73.5	118.1	5.9	112.4	T207 E208 L209 R215	T207-R211 VanDerWaalsContact O-CB 3.28Å; T207-R211 WeakPolarHBondContact O-CB 3.29Å; T207-R211 PolarHBondContact O-N 2.78Å; E208-R211 PolarHBondContact O-N 2.98Å; E208-R211 IonicContact OE1-CZ 3.69Å; E208-R211 IonicContact OE1-NE 2.63Å; E208-R211 IonicContact OE1-NH2 2.73Å; E208-R211 PolarHBondContact OE1-NH2 3.19Å; E208-R211 IonicContact OE2-CZ 2.73Å; E208-R211 IonicContact OE2-NE 3.21Å; E208-R211 PolarHBondContact OE2-NE 3.31Å; E208-R211 IonicContact OE2-NH2 3.99Å; E208-R211 PolarHBondContact OE2-NH2 3.42Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 2.84Å; R211-R215 WeakPolarHBondContact O-CB 3.41Å; R211-R215 VanDerWaalsContact O-CG 3.25Å; R211-R215 WeakPolarHBondContact O-CG 3.27Å; R211-R215 PolarHBondContact O-N 3.17Å; R211-R215 VanDerWaalsContact O-N 3.08Å
212	Q	58	Low	60.8	Low	36 Å²	36	78.6 Å²	78.6	17%	0.168	41%	0.405	C	S	.	.	H	α-helix	trans	-69.9	-42.9	175.8	-73	-178.6	15.9	0	0	111.6	E208 L209 L210 R215 G216 V925 V926	E208-Q212 WeakPolarHBondContact O-CB 3.37Å; E208-Q212 VanDerWaalsContact O-CG 3.3Å; E208-Q212 WeakPolarHBondContact O-CG 3.47Å; E208-Q212 PolarHBondContact O-N 3.25Å; E208-Q212 PolarHBondContact OE1-NE2 3.37Å; L209-Q212 PolarHBondContact O-N 3.3Å; L210-Q212 VanDerWaalsContact C-N 3.35Å; L210-Q212 PolarHBondContact O-N 3.39Å; Q212-R215 PolarHBondContact O-N 2.62Å; Q212-G216 PolarHBondContact O-N 3.05Å; Q212-V925 HydrophobicContact CB-CG1 4.09Å; Q212-V925 HydrophobicContact CG-CG1 3.93Å; Q212-V926 PolarHBondContact NE2-O 3.32Å
213	I	58.4	Low	61.6	Low	94 Å²	94	73.7 Å²	73.7	48%	0.482	38%	0.383	S	S	.	.	H	α-helix	trans	-60.5	-50.9	174	-68	167.3	0	0	0	110.2	L209 L210 R215 G216 T217	L209-I213 HydrophobicContact CD1-CD1 4.3Å; L209-I213 HydrophobicContact CG-CD1 4.05Å; L209-I213 WeakPolarHBondContact O-CG1 3.34Å; L209-I213 PolarHBondContact O-N 3.05Å; L210-I213 PolarHBondContact O-N 3.09Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 2.9Å; I213-G216 WeakPolarHBondContact O-CA 3.28Å; I213-G216 PolarHBondContact O-N 2.78Å; I213-T217 HydrophobicContact CG2-CG2 4.49Å; I213-T217 PolarHBondContact O-N 3.24Å; I213-T217 PolarHBondContact O-OG1 3.42Å
214	Q	64.3	Low	61.9	Low	108 Å²	108	70.8 Å²	70.8	51%	0.505	38%	0.377	S	S	.	.	H	α-helix	trans	-56.3	-41.8	178.6	-76.3	173.1	-6.9	0	0	112.6	L210 T217 S218	L210-Q214 HydrophobicContact CD1-CG 4.44Å; L210-Q214 WeakPolarHBondContact O-CB 3.41Å; L210-Q214 VanDerWaalsContact O-CG 3.25Å; L210-Q214 WeakPolarHBondContact O-CG 3.19Å; L210-Q214 PolarHBondContact O-N 2.89Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.45Å; Q214-T217 PolarHBondContact O-N 2.95Å; Q214-T217 PolarHBondContact O-OG1 2.7Å; Q214-S218 WeakPolarHBondContact O-CB 3.28Å; Q214-S218 PolarHBondContact O-N 3.36Å
215	R	65.9	Low	62.4	Low	143 Å²	143	70.7 Å²	70.7	54%	0.54	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-37	174.9	-77.6	173.2	165.6	-144.9	-9.7	113.1	R211 Q212 I213 S218 Q219	R211-R215 WeakPolarHBondContact O-CB 3.41Å; R211-R215 VanDerWaalsContact O-CG 3.25Å; R211-R215 WeakPolarHBondContact O-CG 3.27Å; R211-R215 PolarHBondContact O-N 3.17Å; R211-R215 VanDerWaalsContact O-N 3.08Å; Q212-R215 PolarHBondContact O-N 2.62Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 2.9Å; R215-S218 PolarHBondContact O-OG 2.71Å; R215-Q219 WeakPolarHBondContact O-CG 3.25Å; R215-Q219 PolarHBondContact O-N 3.32Å; R215-Q219 VanDerWaalsContact O-N 3.14Å
216	G	60.2	Low	63.3	Low	26 Å²	26	74.1 Å²	74.1	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-64.1	-49.2	173.2	0	0	0	0	0	111.5	Q212 I213 S218 Q219 I220	Q212-G216 PolarHBondContact O-N 3.05Å; I213-G216 WeakPolarHBondContact O-CA 3.28Å; I213-G216 PolarHBondContact O-N 2.78Å; G216-S218 PolarHBondContact O-N 2.94Å; G216-Q219 PolarHBondContact O-N 2.78Å; G216-I220 WeakPolarHBondContact O-CG1 3.39Å; G216-I220 PolarHBondContact O-N 2.87Å; G216-I220 VanDerWaalsContact O-N 3.09Å
217	T	63.8	Low	63.7	Low	66 Å²	66	69.4 Å²	69.4	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-35.4	178.7	51.1	0	0	0	0	112.9	I213 Q214 I220 S221	I213-T217 HydrophobicContact CG2-CG2 4.49Å; I213-T217 PolarHBondContact O-N 3.24Å; I213-T217 PolarHBondContact O-OG1 3.42Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.45Å; Q214-T217 PolarHBondContact O-N 2.95Å; Q214-T217 PolarHBondContact O-OG1 2.7Å; T217-I220 PolarHBondContact O-N 2.99Å; T217-S221 WeakPolarHBondContact O-CB 3.48Å; T217-S221 PolarHBondContact O-N 2.8Å
218	S	69	Low	63.6	Low	52 Å²	52	68.7 Å²	68.7	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-46.9	175.8	77.5	0	0	0	0	111.1	Q214 R215 G216 I220 S221 D222	Q214-S218 WeakPolarHBondContact O-CB 3.28Å; Q214-S218 PolarHBondContact O-N 3.36Å; R215-S218 PolarHBondContact O-OG 2.71Å; G216-S218 PolarHBondContact O-N 2.94Å; S218-I220 PolarHBondContact O-N 3.02Å; S218-S221 PolarHBondContact O-N 2.86Å; S218-S221 VanDerWaalsContact O-N 3.1Å; S218-D222 WeakPolarHBondContact O-CB 3.27Å; S218-D222 PolarHBondContact O-N 3.09Å; S218-D222 VanDerWaalsContact O-OD2 3.12Å
219	Q	67.4	Low	64	Low	63 Å²	63	71.3 Å²	71.3	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-32.4	177.1	-72.2	-173.4	7.1	0	0	113.1	R215 G216 C223 F922 S923	R215-Q219 WeakPolarHBondContact O-CG 3.25Å; R215-Q219 PolarHBondContact O-N 3.32Å; R215-Q219 VanDerWaalsContact O-N 3.14Å; G216-Q219 PolarHBondContact O-N 2.78Å; Q219-C223 WeakPolarHBondContact O-CB 3.46Å; Q219-C223 PolarHBondContact O-N 3.26Å; Q219-C223 VanDerWaalsContact O-N 3.16Å; Q219-F922 HydrophobicContact CB-CD1 4.37Å; Q219-S923 PolarHBondContact NE2-OG 3.19Å
220	I	63.8	Low	64.4	Low	52 Å²	52	67.5 Å²	67.5	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-72.8	-44.6	173.4	-66.6	166.8	0	0	0	111.2	G216 T217 S218 C223 G224 L808 F922	G216-I220 WeakPolarHBondContact O-CG1 3.39Å; G216-I220 PolarHBondContact O-N 2.87Å; G216-I220 VanDerWaalsContact O-N 3.09Å; T217-I220 PolarHBondContact O-N 2.99Å; S218-I220 PolarHBondContact O-N 3.02Å; I220-C223 WeakPolarHBondContact O-CB 3.46Å; I220-C223 PolarHBondContact O-N 2.98Å; I220-G224 PolarHBondContact O-N 3.11Å; I220-L808 HydrophobicContact CD1-CD2 4.26Å; I220-F922 HydrophobicContact CG1-CE1 3.95Å
221	S	67.3	Low	64.3	Low	61 Å²	61	64.4 Å²	64.4	43%	0.427	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-42.8	178.2	-177.9	0	0	0	0	112.7	T217 S218 G224 K225	T217-S221 WeakPolarHBondContact O-CB 3.48Å; T217-S221 PolarHBondContact O-N 2.8Å; S218-S221 PolarHBondContact O-N 2.86Å; S218-S221 VanDerWaalsContact O-N 3.1Å; S221-G224 PolarHBondContact O-N 2.64Å; S221-K225 WeakPolarHBondContact O-CG 3.39Å; S221-K225 PolarHBondContact O-N 2.86Å
222	D	70.6	Confident	64.1	Low	73 Å²	73	63.2 Å²	63.2	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-71.6	-33.2	179.9	-60.2	-30.9	0	0	0	111.3	S218 K225 H226	S218-D222 WeakPolarHBondContact O-CB 3.27Å; S218-D222 PolarHBondContact O-N 3.09Å; S218-D222 VanDerWaalsContact O-OD2 3.12Å; D222-K225 IonicContact OD1-NZ 3.98Å; D222-K225 PolarHBondContact OD1-NZ 2.88Å; D222-K225 VanDerWaalsContact OD1-NZ 3.11Å; D222-H226 PolarHBondContact O-CD2 3.02Å; D222-H226 VanDerWaalsContact O-CD2 3.28Å; D222-H226 PolarHBondContact O-N 2.97Å; D222-H226 VanDerWaalsContact O-N 3.16Å
223	C	67.4	Low	64.4	Low	14 Å²	14	66.9 Å²	66.9	10%	0.095	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-47.2	167.2	179.1	0	0	0	0	111.5	Q219 I220 K225 H226 Y227 C920 F922	Q219-C223 WeakPolarHBondContact O-CB 3.46Å; Q219-C223 PolarHBondContact O-N 3.26Å; Q219-C223 VanDerWaalsContact O-N 3.16Å; I220-C223 WeakPolarHBondContact O-CB 3.46Å; I220-C223 PolarHBondContact O-N 2.98Å; C223-K225 PolarHBondContact O-N 3.09Å; C223-H226 PolarHBondContact O-N 3.48Å; C223-Y227 WeakPolarHBondContact O-CD2 3.49Å; C223-Y227 PolarHBondContact O-N 3.38Å; C223-C920 VanDerWaalsContact CA-SG 3.57Å; C223-C920 HydrophobicContact CB-CB 3.89Å; C223-C920 WeakPolarHBondContact CB-SG 3.35Å; C223-C920 WeakPolarHBondContact SG-CB 3.34Å; C223-C920 CovalentContact SG-SG 2.03Å; C223-C920 PolarHBondContact SG-SG 3.09Å; C223-F922 HydrophobicContact CB-CE1 4.44Å; C223-F922 HydrophobicContact CB-CZ 4.33Å
224	G	63.3	Low	64.4	Low	38 Å²	38	63.1 Å²	63.1	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-56.2	-50.1	177.7	0	0	0	0	0	112.7	I220 S221 H226 Y227 E228	I220-G224 PolarHBondContact O-N 3.11Å; S221-G224 PolarHBondContact O-N 2.64Å; G224-H226 VanDerWaalsContact C-N 3.31Å; G224-H226 PolarHBondContact O-N 3.35Å; G224-Y227 PolarHBondContact O-N 3.36Å; G224-E228 PolarHBondContact O-N 2.95Å
225	K	68.5	Low	64	Low	98 Å²	98	58.9 Å²	58.9	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-57.7	-40.4	175.8	-67.4	167.6	-165.4	155.6	0	112.7	S221 D222 C223 Y227 E228 D229	S221-K225 WeakPolarHBondContact O-CG 3.39Å; S221-K225 PolarHBondContact O-N 2.86Å; D222-K225 IonicContact OD1-NZ 3.98Å; D222-K225 PolarHBondContact OD1-NZ 2.88Å; D222-K225 VanDerWaalsContact OD1-NZ 3.11Å; C223-K225 PolarHBondContact O-N 3.09Å; K225-Y227 VanDerWaalsContact C-N 3.28Å; K225-Y227 PolarHBondContact O-N 2.82Å; K225-E228 WeakPolarHBondContact O-CB 3.44Å; K225-E228 PolarHBondContact O-N 2.84Å; K225-D229 WeakPolarHBondContact O-CB 3.41Å; K225-D229 PolarHBondContact O-N 3.34Å
226	H	68.3	Low	63.7	Low	121 Å²	121	59.5 Å²	59.5	56%	0.56	31%	0.314	S	S	*	.	H	α-helix	trans	-64.5	-30.2	176.7	-84.7	-50.3	0	0	0	113.5	D222 C223 G224 H230 P918	D222-H226 PolarHBondContact O-CD2 3.02Å; D222-H226 VanDerWaalsContact O-CD2 3.28Å; D222-H226 PolarHBondContact O-N 2.97Å; D222-H226 VanDerWaalsContact O-N 3.16Å; C223-H226 PolarHBondContact O-N 3.48Å; G224-H226 VanDerWaalsContact C-N 3.31Å; G224-H226 PolarHBondContact O-N 3.35Å; H226-H230 VanDerWaalsContact O-CB 3.32Å; H226-H230 WeakPolarHBondContact O-CB 3.48Å; H226-H230 PolarHBondContact O-N 2.87Å; H226-P918 HydrophobicContact CB-CB 4.3Å
227	Y	61	Low	63.6	Low	13 Å²	13	60.4 Å²	60.4	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-76.4	-38.5	170.5	-84.9	-88.8	0	0	0	112.2	C223 G224 K225 H230 S231 I318 A816 E819 I823 P918	C223-Y227 WeakPolarHBondContact O-CD2 3.49Å; C223-Y227 PolarHBondContact O-N 3.38Å; G224-Y227 PolarHBondContact O-N 3.36Å; K225-Y227 VanDerWaalsContact C-N 3.28Å; K225-Y227 PolarHBondContact O-N 2.82Å; Y227-H230 CarbonylContact O-C 3.59Å; Y227-H230 PolarHBondContact O-N 3.43Å; Y227-S231 PolarHBondContact O-N 3.44Å; Y227-I318 HydrophobicContact CD1-CD1 3.78Å; Y227-I318 HydrophobicContact CG-CD1 3.89Å; Y227-A816 HydrophobicContact CE2-CB 4.38Å; Y227-A816 PolarHBondContact OH-O 3.2Å; Y227-E819 HydrophobicContact CD1-CB 4.45Å; Y227-E819 HydrophobicContact CE1-CB 4.05Å; Y227-I823 HydrophobicContact CD1-CD1 3.85Å; Y227-I823 HydrophobicContact CE1-CD1 4Å; Y227-P918 HydrophobicContact CD1-CG 3.99Å; Y227-P918 HydrophobicContact CD2-CG 3.89Å; Y227-P918 HydrophobicContact CE1-CG 3.91Å; Y227-P918 HydrophobicContact CE2-CB 4.41Å; Y227-P918 HydrophobicContact CE2-CG 3.79Å; Y227-P918 HydrophobicContact CG-CG 3.97Å; Y227-P918 PolarHBondContact OH-O 3.48Å
228	E	61.2	Low	63.1	Low	75 Å²	75	58.4 Å²	58.4	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-45.6	176.6	-167.9	-164	151	0	0	112.3	G224 K225 H230 S231 K232	G224-E228 PolarHBondContact O-N 2.95Å; K225-E228 WeakPolarHBondContact O-CB 3.44Å; K225-E228 PolarHBondContact O-N 2.84Å; E228-H230 VanDerWaalsContact C-N 3.26Å; E228-H230 PolarHBondContact O-N 3.4Å; E228-S231 PolarHBondContact O-N 3.06Å; E228-S231 PolarHBondContact O-OG 2.74Å; E228-K232 WeakPolarHBondContact O-CG 3.47Å; E228-K232 PolarHBondContact O-N 3.49Å; E228-K232 WeakPolarHBondContact OE1-CE 3.25Å; E228-K232 IonicContact OE1-NZ 3.92Å; E228-K232 PolarHBondContact OE1-NZ 3.39Å
229	D	66.5	Low	62.5	Low	81 Å²	81	59.4 Å²	59.4	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-33	173.7	-76.6	-24.7	0	0	0	111.8	K225 Q233	K225-D229 WeakPolarHBondContact O-CB 3.41Å; K225-D229 PolarHBondContact O-N 3.34Å; D229-Q233 WeakPolarHBondContact O-CB 3.27Å; D229-Q233 VanDerWaalsContact O-CG 3.26Å; D229-Q233 WeakPolarHBondContact O-CG 3.42Å; D229-Q233 PolarHBondContact O-N 3Å; D229-Q233 PolarHBondContact O-NE2 3.35Å
230	H	62.7	Low	62.1	Low	18 Å²	18	59.8 Å²	59.8	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-74.9	-34.5	177.6	-168.7	-69.3	0	0	0	112.2	H226 Y227 E228 Q233 L234	H226-H230 VanDerWaalsContact O-CB 3.32Å; H226-H230 WeakPolarHBondContact O-CB 3.48Å; H226-H230 PolarHBondContact O-N 2.87Å; Y227-H230 CarbonylContact O-C 3.59Å; Y227-H230 PolarHBondContact O-N 3.43Å; E228-H230 VanDerWaalsContact C-N 3.26Å; E228-H230 PolarHBondContact O-N 3.4Å; H230-Q233 PolarHBondContact O-N 2.87Å; H230-L234 WeakPolarHBondContact O-CB 3.31Å; H230-L234 PolarHBondContact O-N 3.12Å
231	S	58.1	Low	61.8	Low	19 Å²	19	58.9 Å²	58.9	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-38.5	172.9	71	0	0	0	0	111.4	Y227 E228 Q233 L234 S235	Y227-S231 PolarHBondContact O-N 3.44Å; E228-S231 PolarHBondContact O-N 3.06Å; E228-S231 PolarHBondContact O-OG 2.74Å; S231-Q233 PolarHBondContact O-N 2.93Å; S231-L234 PolarHBondContact O-N 3.41Å; S231-S235 WeakPolarHBondContact O-CB 3.31Å; S231-S235 PolarHBondContact O-N 3.21Å
232	K	61.5	Low	61.1	Low	76 Å²	76	57 Å²	57	33%	0.33	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-40.4	170.8	-70.6	169.2	-172.7	169.2	0	112.6	E228 R236	E228-K232 WeakPolarHBondContact O-CG 3.47Å; E228-K232 PolarHBondContact O-N 3.49Å; E228-K232 WeakPolarHBondContact OE1-CE 3.25Å; E228-K232 IonicContact OE1-NZ 3.92Å; E228-K232 PolarHBondContact OE1-NZ 3.39Å; K232-R236 WeakPolarHBondContact O-CB 3.45Å; K232-R236 WeakPolarHBondContact O-CG 3.44Å; K232-R236 PolarHBondContact O-N 3.45Å
233	Q	62.7	Low	60.5	Low	114 Å²	114	57.9 Å²	57.9	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-42.5	173	-77.4	171.1	47.3	0	0	112.1	D229 H230 S231 R236 Y237	D229-Q233 WeakPolarHBondContact O-CB 3.27Å; D229-Q233 VanDerWaalsContact O-CG 3.26Å; D229-Q233 WeakPolarHBondContact O-CG 3.42Å; D229-Q233 PolarHBondContact O-N 3Å; D229-Q233 PolarHBondContact O-NE2 3.35Å; H230-Q233 PolarHBondContact O-N 2.87Å; S231-Q233 PolarHBondContact O-N 2.93Å; Q233-R236 PolarHBondContact O-N 3.11Å; Q233-Y237 WeakPolarHBondContact O-CB 3.38Å; Q233-Y237 PolarHBondContact O-N 3.01Å
234	L	59.1	Low	60	Low	14 Å²	14	59.4 Å²	59.4	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-43.5	176.3	-177.6	61.5	0	0	0	112	H230 S231 Y237 M238 L830 L915	H230-L234 WeakPolarHBondContact O-CB 3.31Å; H230-L234 PolarHBondContact O-N 3.12Å; S231-L234 PolarHBondContact O-N 3.41Å; L234-Y237 PolarHBondContact O-N 3.28Å; L234-M238 HydrophobicContact CD1-CE 4.37Å; L234-M238 HydrophobicContact CD2-CE 4.32Å; L234-M238 HydrophobicContact CG-CE 4.09Å; L234-M238 HydrophobicContact CG-SD 4.37Å; L234-M238 WeakPolarHBondContact O-CG 3.43Å; L234-M238 PolarHBondContact O-N 2.67Å; L234-L830 HydrophobicContact CD1-CD1 3.99Å; L234-L915 HydrophobicContact CD1-CD2 4.07Å
235	S	56.2	Low	59.5	Low	20 Å²	20	58.7 Å²	58.7	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-45.8	174.5	172.1	0	0	0	0	111.8	S231 Y237 M238 M239	S231-S235 WeakPolarHBondContact O-CB 3.31Å; S231-S235 PolarHBondContact O-N 3.21Å; S235-Y237 VanDerWaalsContact C-N 3.32Å; S235-Y237 PolarHBondContact O-N 3.06Å; S235-M238 PolarHBondContact O-N 3.23Å; S235-M239 WeakPolarHBondContact O-CB 3.29Å; S235-M239 PolarHBondContact O-N 3.34Å
236	R	60	Low	59	Low	155 Å²	155	58.4 Å²	58.4	59%	0.585	27%	0.272	S	S	*	.	H	α-helix	trans	-61.6	-37.9	174.3	-75.6	176.5	171.1	-178.4	-4.7	112.4	K232 Q233 M239 Y240 E287	K232-R236 WeakPolarHBondContact O-CB 3.45Å; K232-R236 WeakPolarHBondContact O-CG 3.44Å; K232-R236 PolarHBondContact O-N 3.45Å; Q233-R236 PolarHBondContact O-N 3.11Å; R236-M239 PolarHBondContact O-N 3.07Å; R236-Y240 PolarHBondContact O-N 3.3Å; R236-E287 IonicContact CZ-OE1 3.12Å; R236-E287 IonicContact NH2-OE1 2.75Å; R236-E287 PolarHBondContact NH2-OE1 2.93Å
237	Y	57.7	Low	58.5	Low	45 Å²	45	54.9 Å²	54.9	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-42.9	175.9	-176.3	-112.9	0	0	0	112.5	Q233 L234 S235 M239 Y240 I241	Q233-Y237 WeakPolarHBondContact O-CB 3.38Å; Q233-Y237 PolarHBondContact O-N 3.01Å; L234-Y237 PolarHBondContact O-N 3.28Å; S235-Y237 VanDerWaalsContact C-N 3.32Å; S235-Y237 PolarHBondContact O-N 3.06Å; Y237-M239 PolarHBondContact O-N 2.77Å; Y237-Y240 PolarHBondContact O-N 3.2Å; Y237-I241 HydrophobicContact CD1-CD1 3.99Å; Y237-I241 HydrophobicContact CE1-CD1 3.53Å; Y237-I241 HydrophobicContact CE2-CD1 4.35Å; Y237-I241 WeakPolarHBondContact O-CG1 3.26Å; Y237-I241 PolarHBondContact O-N 3.11Å
238	M	53.8	Low	58	Low	24 Å²	24	56.7 Å²	56.7	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-44.2	171.7	-70.6	167.4	163.2	0	0	111.7	L234 S235 Y240 I241 S242 L326 W331 L830	L234-M238 HydrophobicContact CD1-CE 4.37Å; L234-M238 HydrophobicContact CD2-CE 4.32Å; L234-M238 HydrophobicContact CG-CE 4.09Å; L234-M238 HydrophobicContact CG-SD 4.37Å; L234-M238 WeakPolarHBondContact O-CG 3.43Å; L234-M238 PolarHBondContact O-N 2.67Å; S235-M238 PolarHBondContact O-N 3.23Å; M238-Y240 PolarHBondContact O-N 3.16Å; M238-I241 PolarHBondContact O-N 3.47Å; M238-S242 WeakPolarHBondContact O-CB 3.41Å; M238-S242 PolarHBondContact O-N 3.03Å; M238-L326 HydrophobicContact SD-CD2 3.81Å; M238-W331 HydrophobicContact CB-CZ3 4.33Å; M238-L830 HydrophobicContact CE-CD1 3.57Å; M238-L830 HydrophobicContact CE-CD2 4.22Å; M238-L830 HydrophobicContact CE-CG 4.48Å
239	M	55.4	Low	57.3	Low	73 Å²	73	56.5 Å²	56.5	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-34.7	178.1	-164.5	-179.4	77	0	0	112.5	S235 R236 Y237 S242 K243 I283	S235-M239 WeakPolarHBondContact O-CB 3.29Å; S235-M239 PolarHBondContact O-N 3.34Å; R236-M239 PolarHBondContact O-N 3.07Å; Y237-M239 PolarHBondContact O-N 2.77Å; M239-S242 PolarHBondContact O-N 3.46Å; M239-K243 PolarHBondContact O-N 3.45Å; M239-I283 HydrophobicContact CE-CD1 4.09Å; M239-I283 HydrophobicContact SD-CD1 4Å
240	Y	59.7	Low	56.5	Low	71 Å²	71	55.3 Å²	55.3	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-45.1	172.2	171.8	-108.6	0	0	0	112.2	R236 Y237 M238 S242 K243 K244 P905	R236-Y240 PolarHBondContact O-N 3.3Å; Y237-Y240 PolarHBondContact O-N 3.2Å; M238-Y240 PolarHBondContact O-N 3.16Å; Y240-S242 VanDerWaalsContact C-N 3.32Å; Y240-S242 PolarHBondContact O-N 2.82Å; Y240-K243 PolarHBondContact O-N 2.96Å; Y240-K244 PolarHBondContact O-N 3.44Å; Y240-P905 HydrophobicContact CE2-CG 3.98Å; Y240-P905 VanDerWaalsContact OH-CD 3.3Å; Y240-P905 WeakPolarHBondContact OH-CD 3.45Å
241	I	57.7	Low	55.7	Low	33 Å²	33	59.5 Å²	59.5	17%	0.169	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-44.9	173.4	-71.7	173	0	0	0	110.4	Y237 M238 K244 L245	Y237-I241 HydrophobicContact CD1-CD1 3.99Å; Y237-I241 HydrophobicContact CE1-CD1 3.53Å; Y237-I241 HydrophobicContact CE2-CD1 4.35Å; Y237-I241 WeakPolarHBondContact O-CG1 3.26Å; Y237-I241 PolarHBondContact O-N 3.11Å; M238-I241 PolarHBondContact O-N 3.47Å; I241-K244 PolarHBondContact O-N 3.37Å; I241-L245 HydrophobicContact CG2-CD1 3.82Å; I241-L245 HydrophobicContact CG2-CG 4.37Å; I241-L245 WeakPolarHBondContact O-CB 3.32Å; I241-L245 WeakPolarHBondContact O-CG 3.36Å; I241-L245 PolarHBondContact O-N 3.26Å
242	S	51	Low	54.9	Low	23 Å²	23	62.2 Å²	62.2	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-51.9	176	-178.9	0	0	0	0	111.7	M238 M239 Y240 K244 L245 I246	M238-S242 WeakPolarHBondContact O-CB 3.41Å; M238-S242 PolarHBondContact O-N 3.03Å; M239-S242 PolarHBondContact O-N 3.46Å; Y240-S242 VanDerWaalsContact C-N 3.32Å; Y240-S242 PolarHBondContact O-N 2.82Å; S242-K244 VanDerWaalsContact C-N 3.31Å; S242-K244 PolarHBondContact O-N 2.85Å; S242-L245 PolarHBondContact O-N 3.22Å; S242-I246 WeakPolarHBondContact O-CB 3.17Å; S242-I246 VanDerWaalsContact O-CG1 3.27Å; S242-I246 WeakPolarHBondContact O-CG1 2.95Å; S242-I246 PolarHBondContact O-N 3.32Å
243	K	58	Low	53.7	Low	91 Å²	91	64.1 Å²	64.1	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-38.7	175.7	-78.4	-157.5	173.2	-164.7	0	112.4	M239 Y240 S247 E280	M239-K243 PolarHBondContact O-N 3.45Å; Y240-K243 PolarHBondContact O-N 2.96Å; K243-S247 WeakPolarHBondContact O-CB 3.15Å; K243-S247 PolarHBondContact O-N 3.46Å; K243-E280 IonicContact NZ-OE1 2.7Å; K243-E280 PolarHBondContact NZ-OE1 2.9Å
244	K	56.8	Low	52.6	Low	46 Å²	46	62.7 Å²	62.7	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-39.2	178.6	-163.7	156.7	-173.6	162.6	0	112.3	Y240 I241 S242 S247 W248 E870	Y240-K244 PolarHBondContact O-N 3.44Å; I241-K244 PolarHBondContact O-N 3.37Å; S242-K244 VanDerWaalsContact C-N 3.31Å; S242-K244 PolarHBondContact O-N 2.85Å; K244-S247 PolarHBondContact O-N 2.93Å; K244-S247 PolarHBondContact O-OG 2.89Å; K244-W248 PolarHBondContact O-N 2.72Å; K244-W248 VanDerWaalsContact O-N 3.11Å; K244-E870 IonicContact NZ-OE1 2.88Å; K244-E870 PolarHBondContact NZ-OE1 3.26Å; K244-E870 IonicContact NZ-OE2 3.75Å; K244-E870 PolarHBondContact NZ-OE2 2.95Å
245	L	54.3	Low	51.5	Low	23 Å²	23	69 Å²	69	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-45.1	172.1	-73.1	170.7	0	0	0	112	I241 S242 S247 W248 F249 Y334	I241-L245 HydrophobicContact CG2-CD1 3.82Å; I241-L245 HydrophobicContact CG2-CG 4.37Å; I241-L245 WeakPolarHBondContact O-CB 3.32Å; I241-L245 WeakPolarHBondContact O-CG 3.36Å; I241-L245 PolarHBondContact O-N 3.26Å; S242-L245 PolarHBondContact O-N 3.22Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.45Å; L245-W248 WeakPolarHBondContact O-CB 3.19Å; L245-W248 PolarHBondContact O-N 3.25Å; L245-W248 VanDerWaalsContact O-N 3.09Å; L245-F249 HydrophobicContact CB-CD2 4.39Å; L245-F249 HydrophobicContact CB-CE2 4.23Å; L245-F249 HydrophobicContact CD2-CE2 4.42Å; L245-F249 WeakPolarHBondContact O-CD2 3.21Å; L245-F249 PolarHBondContact O-N 2.9Å; L245-Y334 HydrophobicContact CD1-CE2 4.27Å; L245-Y334 WeakPolarHBondContact CD1-OH 3.3Å
246	I	57.6	Low	50.5	Low	91 Å²	91	75 Å²	75	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-37	175.5	-67.7	164.7	0	0	0	111	S242 W248 S250	S242-I246 WeakPolarHBondContact O-CB 3.17Å; S242-I246 VanDerWaalsContact O-CG1 3.27Å; S242-I246 WeakPolarHBondContact O-CG1 2.95Å; S242-I246 PolarHBondContact O-N 3.32Å; I246-W248 VanDerWaalsContact C-N 3.35Å; I246-S250 VanDerWaalsContact O-CB 3.28Å; I246-S250 WeakPolarHBondContact O-CB 3.22Å; I246-S250 PolarHBondContact O-N 3.02Å; I246-S250 PolarHBondContact O-OG 3.33Å
247	S	57.3	Low	49.2	Very low	48 Å²	48	75.8 Å²	75.8	34%	0.336	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-33.9	175	78.5	0	0	0	0	112.8	K243 K244 L245 S250 Q251	K243-S247 WeakPolarHBondContact O-CB 3.15Å; K243-S247 PolarHBondContact O-N 3.46Å; K244-S247 PolarHBondContact O-N 2.93Å; K244-S247 PolarHBondContact O-OG 2.89Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.45Å; S247-S250 PolarHBondContact O-OG 2.98Å; S247-Q251 WeakPolarHBondContact O-CB 3.42Å; S247-Q251 WeakPolarHBondContact O-CG 3.35Å; S247-Q251 PolarHBondContact O-N 3.3Å
248	W	50.1	Low	48.1	Very low	50 Å²	50	79 Å²	79	19%	0.189	41%	0.405	C	S	.	.	H	α-helix	trans	-70.4	-48.1	173.7	-74.7	8.2	0	0	0	111.8	K244 L245 I246 S250 Q251 F841 W901	K244-W248 PolarHBondContact O-N 2.72Å; K244-W248 VanDerWaalsContact O-N 3.11Å; L245-W248 WeakPolarHBondContact O-CB 3.19Å; L245-W248 PolarHBondContact O-N 3.25Å; L245-W248 VanDerWaalsContact O-N 3.09Å; I246-W248 VanDerWaalsContact C-N 3.35Å; W248-S250 PolarHBondContact O-N 2.91Å; W248-Q251 PolarHBondContact O-N 2.94Å; W248-F841 HydrophobicContact CZ3-CD1 4.41Å; W248-W901 HydrophobicContact CH2-CE3 4.44Å; W248-W901 AromaticContact CH2-CH2 3.71Å; W248-W901 HydrophobicContact CH2-CH2 3.71Å; W248-W901 HydrophobicContact CH2-CZ2 4.48Å; W248-W901 AromaticContact CH2-CZ3 3.69Å; W248-W901 HydrophobicContact CH2-CZ3 3.69Å; W248-W901 HydrophobicContact CZ2-CH2 4.08Å; W248-W901 HydrophobicContact CZ2-CZ2 4.42Å; W248-W901 HydrophobicContact CZ2-CZ3 4.3Å
249	F	48.1	Very low	47.2	Very low	71 Å²	71	84.9 Å²	84.9	31%	0.311	44%	0.435	S	S	.	.	H	α-helix	trans	-68	-33.4	179.8	-68.8	-60.7	0	0	0	112.9	L245 T252 Y341	L245-F249 HydrophobicContact CB-CD2 4.39Å; L245-F249 HydrophobicContact CB-CE2 4.23Å; L245-F249 HydrophobicContact CD2-CE2 4.42Å; L245-F249 WeakPolarHBondContact O-CD2 3.21Å; L245-F249 PolarHBondContact O-N 2.9Å; F249-T252 PolarHBondContact O-OG1 2.85Å; F249-Y341 HydrophobicContact CD1-CD1 4.43Å; F249-Y341 HydrophobicContact CD1-CD2 4.21Å; F249-Y341 HydrophobicContact CD1-CE1 4.16Å; F249-Y341 AromaticContact CD1-CE2 3.94Å; F249-Y341 HydrophobicContact CD1-CE2 3.94Å; F249-Y341 HydrophobicContact CD1-CG 4.45Å; F249-Y341 AromaticContact CD1-CZ 3.92Å; F249-Y341 AromaticContact CE1-CD1 3.89Å; F249-Y341 HydrophobicContact CE1-CD1 3.89Å; F249-Y341 HydrophobicContact CE1-CD2 4.48Å; F249-Y341 AromaticContact CE1-CE1 3.59Å; F249-Y341 HydrophobicContact CE1-CE1 3.59Å; F249-Y341 HydrophobicContact CE1-CE2 4.22Å; F249-Y341 HydrophobicContact CE1-CG 4.33Å; F249-Y341 AromaticContact CE1-CZ 3.78Å; F249-Y341 HydrophobicContact CZ-CD1 4.46Å; F249-Y341 HydrophobicContact CZ-CE1 4.46Å
250	S	49.1	Very low	46	Very low	57 Å²	57	88.9 Å²	88.9	40%	0.399	46%	0.458	S	S	.	.	H	α-helix	trans	-74.3	-31.3	177.8	56.1	0	0	0	0	113.4	I246 S247 W248 T252 N253 T254	I246-S250 VanDerWaalsContact O-CB 3.28Å; I246-S250 WeakPolarHBondContact O-CB 3.22Å; I246-S250 PolarHBondContact O-N 3.02Å; I246-S250 PolarHBondContact O-OG 3.33Å; S247-S250 PolarHBondContact O-OG 2.98Å; W248-S250 PolarHBondContact O-N 2.91Å; S250-T252 PolarHBondContact O-N 2.87Å; S250-N253 PolarHBondContact O-N 3.37Å; S250-T254 PolarHBondContact O-N 3.19Å
251	Q	46	Very low	44.6	Very low	105 Å²	105	93.4 Å²	93.4	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-68.3	-11.8	176.2	-81.2	-171.4	3.2	0	0	115	S247 W248	S247-Q251 WeakPolarHBondContact O-CB 3.42Å; S247-Q251 WeakPolarHBondContact O-CG 3.35Å; S247-Q251 PolarHBondContact O-N 3.3Å; W248-Q251 PolarHBondContact O-N 2.94Å
252	T	41.9	Very low	43.3	Very low	77 Å²	77	99 Å²	99	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-84.4	-32.5	173.9	63.6	0	0	0	0	112.5	F249 S250	F249-T252 PolarHBondContact O-OG1 2.85Å; S250-T252 PolarHBondContact O-N 2.87Å
253	N	36.1	Very low	42.6	Very low	116 Å²	116	106 Å²	106	62%	0.62	55%	0.548	S	S	*	.	H	α-helix	trans	-71.6	-44	175.3	-83.9	-22.4	0	0	0	112.2	S250 K255 N256	S250-N253 PolarHBondContact O-N 3.37Å; N253-K255 PolarHBondContact O-N 3Å; N253-N256 PolarHBondContact O-N 3.04Å
254	T	38.4	Very low	41.4	Very low	84 Å²	84	109.3 Å²	109.3	52%	0.515	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-1.2	-169.5	55	0	0	0	0	115.5	S250 V258	S250-T254 PolarHBondContact O-N 3.19Å; T254-V258 VanDerWaalsContact O-CG2 3.23Å; T254-V258 WeakPolarHBondContact O-CG2 3.17Å
255	K	36.2	Very low	40.2	Very low	146 Å²	146	115 Å²	115	64%	0.635	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-14.3	176.1	-73.2	-176.9	178.2	175.7	0	114.5	N253	N253-K255 PolarHBondContact O-N 3Å
256	N	34.8	Very low	39	Very low	145 Å²	145	121.9 Å²	121.9	78%	0.775	63%	0.633	S	S	*	*	S	Bend	trans	-87.9	-11.7	-178	-72.7	-6.6	0	0	0	114.1	N253	N253-N256 PolarHBondContact O-N 3.04Å
257	E	34.3	Very low	37.7	Very low	172 Å²	172	124.8 Å²	124.8	80%	0.804	65%	0.649	S	S	*	*	S	Bend	trans	-104.1	-6	179.4	-64.5	-175.3	133.9	0	0	113.7	I259	E257-I259 VanDerWaalsContact C-N 3.33Å; E257-I259 PolarHBondContact O-N 3.34Å
258	V	34	Very low	36.5	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.685	67%	0.674	S	S	*	*	S	Bend	trans	-94.1	16.6	-171.1	-176.9	0	0	0	0	112.7	T254	T254-V258 VanDerWaalsContact O-CG2 3.23Å; T254-V258 WeakPolarHBondContact O-CG2 3.17Å
259	I	33.8	Very low	35.4	Very low	147 Å²	147	134.5 Å²	134.5	75%	0.754	71%	0.707	S	S	*	*			trans	-121.8	54.1	176.4	-41.1	-177.6	0	0	0	111	E257	E257-I259 VanDerWaalsContact C-N 3.33Å; E257-I259 PolarHBondContact O-N 3.34Å
260	N	30.9	Very low	34.4	Very low	158 Å²	158	139 Å²	139	85%	0.845	73%	0.734	S	S	*	*			trans	-135.3	86.7	156.8	-102.6	-22.5	0	0	0	108.7
261	H	29.8	Very low	33.3	Very low	166 Å²	166	145.5 Å²	145.5	77%	0.769	75%	0.752	S	S	*	*			trans	-70.4	154.8	163.6	-86.3	-81.3	0	0	0	109.9
262	N	31.5	Very low	32.5	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	77%	0.767	S	S	*	*			trans	77.1	89.6	-179.4	-40.5	-36.4	0	0	0	114
263	D	36.4	Very low	31.8	Very low	170 Å²	170	149 Å²	149	91%	0.909	77%	0.771	S	S	*	*				-155.1	147.4	100.8	-102.4	-25.7	0	0	0	111.8
264	L	31.5	Very low	31.4	Very low	160 Å²	160	150 Å²	150	84%	0.838	78%	0.776	S	S	*	*			trans	-101.5	127.4	179	-76	138.4	0	0	0	109.7
265	N	32.4	Very low	31.1	Very low	166 Å²	166	154.2 Å²	154.2	89%	0.888	80%	0.796	S	S	*	*				-170	149.6	119.9	-99.1	-46.8	0	0	0	112.6
266	E	29	Very low	30.6	Very low	167 Å²	167	156.1 Å²	156.1	78%	0.78	80%	0.804	S	S	*	*			trans	-80	167.5	173.2	-57.4	176.6	126.1	0	0	111.4
267	N	29.4	Very low	30.3	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	80%	0.804	S	S	*	*			trans	68.7	71.5	158.1	-53.2	-50.1	0	0	0	118.4
268	S	31.8	Very low	30	Very low	123 Å²	123	151.8 Å²	151.8	86%	0.86	79%	0.792	S	S	*	*			trans	-143.1	135.3	131.8	65.7	0	0	0	0	111.2
269	M	27.6	Very low	30	Very low	180 Å²	180	151.6 Å²	151.6	89%	0.887	78%	0.779	S	S	*	*			trans	-92.7	129.5	173.3	-70.3	-166.5	-64.2	0	0	110.1
270	N	28.3	Very low	29.9	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	78%	0.775	S	S	*	*				-155.5	125.3	129	-128.1	-9.4	0	0	0	111
271	Y	25.4	Very low	30	Very low	195 Å²	195	148.7 Å²	148.7	77%	0.765	76%	0.761	S	S	*	*			trans	-89.2	131.8	174.3	-91.2	-110.1	0	0	0	109.9
272	H	28.4	Very low	30.1	Very low	175 Å²	175	143.5 Å²	143.5	81%	0.81	74%	0.743	S	S	*	*			trans	-136.4	117.8	143.4	-119.9	-74.8	0	0	0	107.4	D274	H272-D274 IonicContact ND1-OD2 2.82Å; H272-D274 PolarHBondContact ND1-OD2 3.2Å
273	S	27.4	Very low	30.3	Very low	81 Å²	81	139.1 Å²	139.1	57%	0.566	72%	0.719	S	S	*	*			trans	-133.5	67.3	-158.5	60.1	0	0	0	0	112
274	D	29	Very low	30.3	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	70%	0.696	S	S	*	*			trans	-95.8	-7.9	-174.7	-58.7	-62.7	0	0	0	113.5	H272	H272-D274 IonicContact ND1-OD2 2.82Å; H272-D274 PolarHBondContact ND1-OD2 3.2Å
275	N	30.4	Very low	30.5	Very low	174 Å²	174	132 Å²	132	93%	0.93	68%	0.683	S	S	*	*			trans	-94.9	18	-178.8	-83.5	-7	0	0	0	115.2	L277	N275-L277 PolarHBondContact O-N 3.06Å
276	K	27.6	Very low	30.6	Very low	185 Å²	185	127.3 Å²	127.3	80%	0.804	66%	0.663	S	S	*	*			trans	-92.5	96.2	173.8	-166.6	-176.6	-178.2	-169.4	0	110.1	S278	K276-S278 PolarHBondContact O-N 3.49Å
277	L	28.4	Very low	30.9	Very low	147 Å²	147	123.9 Å²	123.9	77%	0.77	65%	0.647	S	S	*	*			trans	-62.3	101.3	-178.8	-156	80.2	0	0	0	110.9	N275 Y279	N275-L277 PolarHBondContact O-N 3.06Å; L277-Y279 HydrophobicContact CD2-CD2 3.68Å; L277-Y279 HydrophobicContact CD2-CE2 3.68Å; L277-Y279 HydrophobicContact CG-CD2 3.78Å; L277-Y279 HydrophobicContact CG-CE2 3.92Å; L277-Y279 PolarHBondContact O-N 3.36Å
278	S	26.6	Very low	31.1	Very low	79 Å²	79	122.9 Å²	122.9	55%	0.552	64%	0.637	S	S	*	*			trans	-79	89	-170	-165.9	0	0	0	0	112.6	K276	K276-S278 PolarHBondContact O-N 3.49Å
279	Y	33.5	Very low	31.3	Very low	109 Å²	109	122.9 Å²	122.9	43%	0.427	62%	0.624	S	S	.	*			trans	-112.2	7.5	-179.7	-97.4	-89.8	0	0	0	114.6	L277	L277-Y279 HydrophobicContact CD2-CD2 3.68Å; L277-Y279 HydrophobicContact CD2-CE2 3.68Å; L277-Y279 HydrophobicContact CG-CD2 3.78Å; L277-Y279 HydrophobicContact CG-CE2 3.92Å; L277-Y279 PolarHBondContact O-N 3.36Å
280	E	33	Very low	31.5	Very low	143 Å²	143	119.9 Å²	119.9	67%	0.668	61%	0.609	S	S	*	*	S	Bend	trans	-112.5	-27.7	-179.6	-56.2	-147	113.1	0	0	114.1	K243	K243-E280 IonicContact NZ-OE1 2.7Å; K243-E280 PolarHBondContact NZ-OE1 2.9Å
281	D	33.5	Very low	31.7	Very low	102 Å²	102	120.9 Å²	120.9	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-84.7	-23.3	177	-70.8	-50.9	0	0	0	114	I283 S284 Q285	D281-I283 VanDerWaalsContact C-N 3.27Å; D281-I283 PolarHBondContact O-N 2.87Å; D281-S284 PolarHBondContact O-N 3.48Å; D281-S284 PolarHBondContact O-OG 2.86Å; D281-Q285 WeakPolarHBondContact O-CB 3.2Å; D281-Q285 PolarHBondContact O-N 3.41Å
282	S	32	Very low	32	Very low	56 Å²	56	115.3 Å²	115.3	39%	0.392	59%	0.585	S	S	.	*	H	α-helix	trans	-68.1	-25.8	179.4	54.1	0	0	0	0	113.3	S286	S282-S286 VanDerWaalsContact O-CB 3.28Å; S282-S286 WeakPolarHBondContact O-CB 3.43Å; S282-S286 PolarHBondContact O-N 3.03Å; S282-S286 PolarHBondContact O-OG 2.95Å
283	I	35.7	Very low	32.3	Very low	60 Å²	60	110.4 Å²	110.4	31%	0.308	57%	0.571	S	S	.	*	H	α-helix	trans	-77.8	-43	177.7	-60.6	171.8	0	0	0	110.3	M239 D281 S286 E287	M239-I283 HydrophobicContact CE-CD1 4.09Å; M239-I283 HydrophobicContact SD-CD1 4Å; D281-I283 VanDerWaalsContact C-N 3.27Å; D281-I283 PolarHBondContact O-N 2.87Å; I283-S286 PolarHBondContact O-OG 3.43Å; I283-E287 PolarHBondContact O-N 3.32Å
284	S	36.1	Very low	32.6	Very low	60 Å²	60	111.8 Å²	111.8	42%	0.42	57%	0.571	S	S	.	*	H	α-helix	trans	-68.7	-40.5	176.6	61.2	0	0	0	0	111.6	D281 H288	D281-S284 PolarHBondContact O-N 3.48Å; D281-S284 PolarHBondContact O-OG 2.86Å; S284-H288 VanDerWaalsContact O-CB 3.31Å; S284-H288 WeakPolarHBondContact O-CB 3.42Å; S284-H288 PolarHBondContact O-N 3.15Å
285	Q	34.5	Very low	32.8	Very low	121 Å²	121	108.1 Å²	108.1	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-65.1	-45.8	173.5	-76.2	-174.6	-51	0	0	112.4	D281 H288 E289	D281-Q285 WeakPolarHBondContact O-CB 3.2Å; D281-Q285 PolarHBondContact O-N 3.41Å; Q285-H288 CarbonylContact O-C 3.53Å; Q285-H288 PolarHBondContact O-N 2.8Å; Q285-E289 WeakPolarHBondContact O-CB 3.5Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 2.98Å
286	S	34.9	Very low	32.9	Very low	66 Å²	66	106 Å²	106	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-38.2	179.7	55.5	0	0	0	0	113.3	S282 I283 M290	S282-S286 VanDerWaalsContact O-CB 3.28Å; S282-S286 WeakPolarHBondContact O-CB 3.43Å; S282-S286 PolarHBondContact O-N 3.03Å; S282-S286 PolarHBondContact O-OG 2.95Å; I283-S286 PolarHBondContact O-OG 3.43Å; S286-M290 WeakPolarHBondContact O-CB 3.47Å; S286-M290 PolarHBondContact O-N 3.2Å
287	E	35	Very low	33.1	Very low	95 Å²	95	102 Å²	102	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-37	171.3	-72.9	-166.5	152.3	0	0	111.6	R236 I283 Y291	R236-E287 IonicContact CZ-OE1 3.12Å; R236-E287 IonicContact NH2-OE1 2.75Å; R236-E287 PolarHBondContact NH2-OE1 2.93Å; I283-E287 PolarHBondContact O-N 3.32Å; E287-Y291 WeakPolarHBondContact O-CB 3.34Å; E287-Y291 WeakPolarHBondContact O-CD2 3.47Å; E287-Y291 PolarHBondContact O-N 2.84Å
288	H	33.1	Very low	33.1	Very low	130 Å²	130	100.6 Å²	100.6	60%	0.602	53%	0.526	S	S	*	.	H	α-helix	trans	-70.3	-36.8	173.6	-97.7	23.3	0	0	0	114.3	S284 Q285 N292	S284-H288 VanDerWaalsContact O-CB 3.31Å; S284-H288 WeakPolarHBondContact O-CB 3.42Å; S284-H288 PolarHBondContact O-N 3.15Å; Q285-H288 CarbonylContact O-C 3.53Å; Q285-H288 PolarHBondContact O-N 2.8Å; H288-N292 WeakPolarHBondContact O-CB 3.44Å; H288-N292 PolarHBondContact O-N 3.38Å; H288-N292 PolarHBondContact O-ND2 3.22Å; H288-N292 VanDerWaalsContact O-ND2 3.09Å
289	E	36.1	Very low	33.3	Very low	124 Å²	124	104.3 Å²	104.3	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-74.7	-36.3	178.1	-74.3	-177.3	171	0	0	111.4	Q285 S293	Q285-E289 WeakPolarHBondContact O-CB 3.5Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 2.98Å; E289-S293 WeakPolarHBondContact O-CB 3.32Å; E289-S293 PolarHBondContact O-N 3.02Å; E289-S293 PolarHBondContact O-OG 3.4Å
290	M	32	Very low	33	Very low	117 Å²	117	105.4 Å²	105.4	58%	0.576	55%	0.553	S	S	*	*	H	α-helix	trans	-67.9	-35.4	173.3	-167.6	175.7	-171.9	0	0	112.1	S286 N294	S286-M290 WeakPolarHBondContact O-CB 3.47Å; S286-M290 PolarHBondContact O-N 3.2Å; M290-N294 PolarHBondContact O-ND2 2.83Å
291	Y	32.8	Very low	32.7	Very low	185 Å²	185	107.8 Å²	107.8	73%	0.725	56%	0.561	S	S	*	*	H	α-helix	trans	-74.4	-45.6	170.8	-94	-95.2	0	0	0	112.8	E287 N294 S295	E287-Y291 WeakPolarHBondContact O-CB 3.34Å; E287-Y291 WeakPolarHBondContact O-CD2 3.47Å; E287-Y291 PolarHBondContact O-N 2.84Å; Y291-N294 PolarHBondContact O-N 2.75Å; Y291-S295 WeakPolarHBondContact O-CB 3.42Å; Y291-S295 PolarHBondContact O-N 3.15Å
292	N	33	Very low	32.4	Very low	77 Å²	77	107.8 Å²	107.8	41%	0.412	57%	0.569	S	S	.	*	H	α-helix	trans	-73.6	-33.7	-176.3	-78	-46.1	0	0	0	113.9	H288 N294 S295 N296	H288-N292 WeakPolarHBondContact O-CB 3.44Å; H288-N292 PolarHBondContact O-N 3.38Å; H288-N292 PolarHBondContact O-ND2 3.22Å; H288-N292 VanDerWaalsContact O-ND2 3.09Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.14Å; N292-S295 PolarHBondContact O-N 2.96Å; N292-N296 WeakPolarHBondContact O-CB 3.48Å; N292-N296 PolarHBondContact O-N 2.96Å
293	S	34.5	Very low	32	Very low	73 Å²	73	111.7 Å²	111.7	51%	0.51	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-30	176	-58.3	0	0	0	0	112.3	E289 N297	E289-S293 WeakPolarHBondContact O-CB 3.32Å; E289-S293 PolarHBondContact O-N 3.02Å; E289-S293 PolarHBondContact O-OG 3.4Å; S293-N297 PolarHBondContact O-ND2 3.34Å
294	N	34	Very low	31.5	Very low	109 Å²	109	116 Å²	116	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-82.1	-37.3	169.4	-75.1	-57.2	0	0	0	112.1	M290 Y291 N292 N297	M290-N294 PolarHBondContact O-ND2 2.83Å; Y291-N294 PolarHBondContact O-N 2.75Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.14Å; N294-N297 PolarHBondContact O-N 3.41Å
295	S	32.9	Very low	31	Very low	58 Å²	58	121.1 Å²	121.1	41%	0.406	63%	0.631	S	S	.	*	H	α-helix	trans	-66	-43.4	-178.1	-166.4	0	0	0	0	112.9	Y291 N292 N297 N298	Y291-S295 WeakPolarHBondContact O-CB 3.42Å; Y291-S295 PolarHBondContact O-N 3.15Å; N292-S295 PolarHBondContact O-N 2.96Å; S295-N297 VanDerWaalsContact C-N 3.35Å; S295-N298 WeakPolarHBondContact CA-ND2 3.28Å; S295-N298 WeakPolarHBondContact O-CB 3.38Å; S295-N298 PolarHBondContact O-N 2.7Å; S295-N298 PolarHBondContact O-ND2 3.02Å
296	N	32.1	Very low	30.5	Very low	130 Å²	130	127 Å²	127	70%	0.695	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-9.2	-178.4	-71.1	-31.4	0	0	0	113.9	N292	N292-N296 WeakPolarHBondContact O-CB 3.48Å; N292-N296 PolarHBondContact O-N 2.96Å
297	N	31.6	Very low	30.1	Very low	100 Å²	100	128.5 Å²	128.5	54%	0.535	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	3.3	171	-85	-61.2	0	0	0	114	S293 N294 S295 N299 N300	S293-N297 PolarHBondContact O-ND2 3.34Å; N294-N297 PolarHBondContact O-N 3.41Å; S295-N297 VanDerWaalsContact C-N 3.35Å; N297-N299 PolarHBondContact O-N 2.73Å; N297-N300 PolarHBondContact O-N 3.1Å
298	N	29.4	Very low	29.7	Very low	118 Å²	118	129.7 Å²	129.7	63%	0.631	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-9	-176.4	-88.5	-45.7	0	0	0	116.4	S295	S295-N298 WeakPolarHBondContact CA-ND2 3.28Å; S295-N298 WeakPolarHBondContact O-CB 3.38Å; S295-N298 PolarHBondContact O-N 2.7Å; S295-N298 PolarHBondContact O-ND2 3.02Å
299	N	29.3	Very low	29.5	Very low	158 Å²	158	129.6 Å²	129.6	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-19.9	173.5	-68.5	-36.7	0	0	0	113.6	N297 K301	N297-N299 PolarHBondContact O-N 2.73Å; N299-K301 VanDerWaalsContact C-N 3.34Å; N299-K301 PolarHBondContact O-N 3.21Å
300	N	27.7	Very low	29.1	Very low	131 Å²	131	126.5 Å²	126.5	70%	0.701	68%	0.679	S	S	*	*			trans	-93.9	63.8	176.6	-77.9	-23.3	0	0	0	111	N297 S302	N297-N300 PolarHBondContact O-N 3.1Å; N300-S302 VanDerWaalsContact C-N 3.26Å; N300-S302 PolarHBondContact O-N 2.78Å
301	K	26.6	Very low	28.9	Very low	194 Å²	194	127.3 Å²	127.3	84%	0.843	69%	0.69	S	S	*	*			trans	-67.6	84.9	171.8	-173.7	176.4	-175.9	174.8	0	109.4	N299 T303	N299-K301 VanDerWaalsContact C-N 3.34Å; N299-K301 PolarHBondContact O-N 3.21Å; K301-T303 PolarHBondContact O-N 3.34Å; K301-T303 VanDerWaalsContact O-N 3.12Å
302	S	26.8	Very low	28.7	Very low	102 Å²	102	125.6 Å²	125.6	71%	0.713	69%	0.693	S	S	*	*			trans	-54.8	116.1	-165.8	50.3	0	0	0	0	112.3	N300 L304	N300-S302 VanDerWaalsContact C-N 3.26Å; N300-S302 PolarHBondContact O-N 2.78Å; S302-L304 PolarHBondContact O-N 3.43Å
303	T	25	Very low	28.7	Very low	137 Å²	137	127.1 Å²	127.1	84%	0.84	70%	0.7	S	S	*	*			trans	-65	99.4	179.7	-30.3	0	0	0	0	108.7	K301 Q305	K301-T303 PolarHBondContact O-N 3.34Å; K301-T303 VanDerWaalsContact O-N 3.12Å; T303-Q305 PolarHBondContact O-N 2.97Å
304	L	25	Very low	28.7	Very low	152 Å²	152	129 Å²	129	80%	0.796	71%	0.71	S	S	*	*			trans	-68.8	82.5	174.4	-95.4	165.1	0	0	0	109.6	S302 W306	S302-L304 PolarHBondContact O-N 3.43Å; L304-W306 PolarHBondContact O-N 2.79Å
305	Q	24.1	Very low	28.6	Very low	167 Å²	167	128.4 Å²	128.4	78%	0.78	71%	0.706	S	S	*	*			trans	-63.7	115	174.1	-171.3	174.5	7	0	0	108.1	T303 T307	T303-Q305 PolarHBondContact O-N 2.97Å; Q305-T307 VanDerWaalsContact C-N 3.32Å; Q305-T307 PolarHBondContact O-N 3.49Å
306	W	24.7	Very low	28.9	Very low	244 Å²	244	129.7 Å²	129.7	92%	0.924	71%	0.713	S	S	*	*			trans	-69.3	83.9	-172.6	-70.3	80.7	0	0	0	111.6	L304	L304-W306 PolarHBondContact O-N 2.79Å
307	T	25.7	Very low	29.3	Very low	98 Å²	98	126.7 Å²	126.7	60%	0.601	70%	0.7	S	S	*	*			trans	-71.1	139.9	161.7	61.7	0	0	0	0	108.9	Q305 N309	Q305-T307 VanDerWaalsContact C-N 3.32Å; Q305-T307 PolarHBondContact O-N 3.49Å; T307-N309 PolarHBondContact O-N 2.87Å
308	S	27.9	Very low	29.7	Very low	119 Å²	119	124 Å²	124	83%	0.832	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	9.3	-173.8	53.4	0	0	0	0	115
309	N	27.8	Very low	30.5	Very low	128 Å²	128	122 Å²	122	68%	0.684	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	2.2	-175.1	-61.7	-1.1	0	0	0	112.7	T307 V311	T307-N309 PolarHBondContact O-N 2.87Å; N309-V311 PolarHBondContact O-N 3.42Å
310	G	27.8	Very low	31.2	Very low	60 Å²	60	121 Å²	121	62%	0.619	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	28.1	-171.6	0	0	0	0	0	117.7
311	V	29.3	Very low	32	Very low	134 Å²	134	120.1 Å²	120.1	81%	0.812	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-25.7	170.3	-177	0	0	0	0	111.2	N309 I313	N309-V311 PolarHBondContact O-N 3.42Å; V311-I313 VanDerWaalsContact C-N 3.26Å; V311-I313 PolarHBondContact O-N 2.91Å
312	N	28.2	Very low	32.9	Very low	149 Å²	149	112.2 Å²	112.2	80%	0.797	62%	0.622	S	S	*	*			trans	-76.3	79.6	166.6	-78.1	1.2	0	0	0	109.9	P314	N312-P314 WeakPolarHBondContact O-CD 3.37Å
313	I	31.6	Very low	33.9	Very low	109 Å²	109	115.5 Å²	115.5	56%	0.559	62%	0.619	S	S	*	*			trans	-76.3	110	155.5	-58.9	174.4	0	0	0	105.7	V311 I315	V311-I313 VanDerWaalsContact C-N 3.26Å; V311-I313 PolarHBondContact O-N 2.91Å; I313-I315 PolarHBondContact O-N 3.5Å
314	P	35.7	Very low	35.1	Very low	111 Å²	111	112.6 Å²	112.6	72%	0.721	60%	0.598	S	S	*	*			trans	-64.1	109.5	165.3	28.3	-31.8	0	0	0	106.7	N312 P316	N312-P314 WeakPolarHBondContact O-CD 3.37Å; P314-P316 WeakPolarHBondContact O-CD 3.39Å
315	I	32	Very low	36.2	Very low	97 Å²	97	109 Å²	109	50%	0.497	58%	0.577	S	S	.	*			trans	-68.8	111.8	158.6	-58.9	173.3	0	0	0	103.8	I313 T317 Y811	I313-I315 PolarHBondContact O-N 3.5Å; I315-T317 PolarHBondContact O-N 3.4Å; I315-Y811 HydrophobicContact CD1-CE1 4.5Å
316	P	38	Very low	37.3	Very low	85 Å²	85	102.3 Å²	102.3	55%	0.552	55%	0.547	S	S	*	.			trans	-60	117.3	169.9	26.6	-32.2	0	0	0	106.1	P314 I318	P314-P316 WeakPolarHBondContact O-CD 3.39Å; P316-I318 PolarHBondContact O-N 2.94Å
317	T	40.6	Very low	38.6	Very low	68 Å²	68	96 Å²	96	42%	0.417	53%	0.528	S	S	.	.			trans	-61.7	124.7	171.8	41.8	0	0	0	0	106.4	I315 E319 Q320	I315-T317 PolarHBondContact O-N 3.4Å; T317-E319 CarbonylContact O-C 3.58Å; T317-E319 PolarHBondContact O-N 3.31Å; T317-Q320 PolarHBondContact O-N 3.4Å
318	I	41.5	Very low	39.9	Very low	44 Å²	44	101.3 Å²	101.3	23%	0.226	54%	0.536	C	S	.	.	H	α-helix	trans	-55.1	-31.2	-174.5	-66.4	161	0	0	0	110	Y227 P316 Q320 T322 E819	Y227-I318 HydrophobicContact CD1-CD1 3.78Å; Y227-I318 HydrophobicContact CG-CD1 3.89Å; P316-I318 PolarHBondContact O-N 2.94Å; I318-Q320 PolarHBondContact O-N 3.31Å; I318-T322 VanDerWaalsContact CG2-OG1 3.24Å; I318-T322 WeakPolarHBondContact CG2-OG1 3.31Å; I318-T322 WeakPolarHBondContact O-CA 3.14Å; I318-T322 WeakPolarHBondContact O-CB 3.46Å; I318-T322 PolarHBondContact O-N 3Å; I318-T322 PolarHBondContact O-OG1 2.97Å; I318-E819 HydrophobicContact CD1-CB 4.32Å; I318-E819 HydrophobicContact CD1-CG 4.13Å
319	E	45.4	Very low	40.9	Very low	76 Å²	76	98 Å²	98	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-36.5	-63.6	161.2	-67.6	165.5	171.3	0	0	113	T317 E321 T322 W323 K818	T317-E319 CarbonylContact O-C 3.58Å; T317-E319 PolarHBondContact O-N 3.31Å; E319-E321 PolarHBondContact O-N 3.49Å; E319-T322 PolarHBondContact O-N 3.41Å; E319-W323 WeakPolarHBondContact O-CB 3.49Å; E319-W323 PolarHBondContact O-N 3.13Å; E319-K818 IonicContact OE1-NZ 2.67Å; E319-K818 PolarHBondContact OE1-NZ 3.26Å
320	Q	43.2	Very low	41.9	Very low	137 Å²	137	94 Å²	94	64%	0.64	49%	0.493	S	S	*	.	H	α-helix	trans	-69.5	-37.3	-168.1	-162.4	169.7	28.7	0	0	113.3	T317 I318 N324	T317-Q320 PolarHBondContact O-N 3.4Å; I318-Q320 PolarHBondContact O-N 3.31Å; Q320-N324 VanDerWaalsContact O-CB 3.28Å; Q320-N324 WeakPolarHBondContact O-CB 3.41Å; Q320-N324 PolarHBondContact O-N 2.81Å; Q320-N324 VanDerWaalsContact O-N 3.16Å; Q320-N324 PolarHBondContact O-ND2 3.02Å
321	E	45.6	Very low	42.8	Very low	111 Å²	111	94.9 Å²	94.9	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-82.7	-31.8	179.8	-159	159.7	-136.1	0	0	112.2	E319 H325	E319-E321 PolarHBondContact O-N 3.49Å; E321-H325 WeakPolarHBondContact O-CB 3.34Å; E321-H325 PolarHBondContact O-N 2.73Å
322	T	44.5	Very low	43.8	Very low	28 Å²	28	92.9 Å²	92.9	17%	0.172	46%	0.462	C	S	.	.	H	α-helix	trans	-79.1	-34.7	176.4	-48.6	0	0	0	0	112.2	I318 E319 H325 L326	I318-T322 VanDerWaalsContact CG2-OG1 3.24Å; I318-T322 WeakPolarHBondContact CG2-OG1 3.31Å; I318-T322 WeakPolarHBondContact O-CA 3.14Å; I318-T322 WeakPolarHBondContact O-CB 3.46Å; I318-T322 PolarHBondContact O-N 3Å; I318-T322 PolarHBondContact O-OG1 2.97Å; E319-T322 PolarHBondContact O-N 3.41Å; T322-H325 PolarHBondContact O-N 2.87Å; T322-L326 HydrophobicContact CG2-CD1 4.42Å; T322-L326 WeakPolarHBondContact O-CB 3.2Å; T322-L326 PolarHBondContact O-N 2.9Å
323	W	48.4	Very low	44.9	Very low	171 Å²	171	88.5 Å²	88.5	65%	0.648	44%	0.442	S	S	*	.	H	α-helix	trans	-66	-47.1	169	-77.6	119.6	0	0	0	110.8	E319 H325 L326 E327	E319-W323 WeakPolarHBondContact O-CB 3.49Å; E319-W323 PolarHBondContact O-N 3.13Å; W323-H325 PolarHBondContact O-N 3.45Å; W323-L326 HydrophobicContact CE3-CB 4.45Å; W323-L326 HydrophobicContact CE3-CD1 4.1Å; W323-L326 HydrophobicContact CZ3-CD1 4.31Å; W323-L326 PolarHBondContact O-N 3.23Å; W323-L326 VanDerWaalsContact O-N 3.11Å; W323-E327 WeakPolarHBondContact O-CB 3.44Å; W323-E327 PolarHBondContact O-N 2.94Å
324	N	49.8	Very low	45.5	Very low	76 Å²	76	85.1 Å²	85.1	41%	0.406	42%	0.422	S	S	.	.	H	α-helix	trans	-56.4	-35.9	172.3	-87.9	-58.2	0	0	0	112.1	Q320 R328	Q320-N324 VanDerWaalsContact O-CB 3.28Å; Q320-N324 WeakPolarHBondContact O-CB 3.41Å; Q320-N324 PolarHBondContact O-N 2.81Å; Q320-N324 VanDerWaalsContact O-N 3.16Å; Q320-N324 PolarHBondContact O-ND2 3.02Å; N324-R328 VanDerWaalsContact O-CB 3.22Å; N324-R328 WeakPolarHBondContact O-CB 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.35Å; N324-R328 PolarHBondContact O-N 3.36Å
325	H	49.1	Very low	46.1	Very low	78 Å²	78	83.9 Å²	83.9	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-69	-47.8	173	-107.6	-69.1	0	0	0	112.6	E321 T322 W323 E327 R328 T329	E321-H325 WeakPolarHBondContact O-CB 3.34Å; E321-H325 PolarHBondContact O-N 2.73Å; T322-H325 PolarHBondContact O-N 2.87Å; W323-H325 PolarHBondContact O-N 3.45Å; H325-E327 VanDerWaalsContact C-N 3.33Å; H325-E327 PolarHBondContact O-N 2.65Å; H325-R328 PolarHBondContact O-N 3Å; H325-T329 WeakPolarHBondContact O-CB 3.28Å; H325-T329 WeakPolarHBondContact O-CG2 3.46Å; H325-T329 PolarHBondContact O-N 3.11Å; H325-T329 PolarHBondContact O-OG1 3.45Å
326	L	46.7	Very low	47.2	Very low	26 Å²	26	83.3 Å²	83.3	14%	0.136	41%	0.407	C	S	.	.	H	α-helix	trans	-58.4	-42.3	176.7	-89.8	158.8	0	0	0	113	M238 T322 W323 T329 W331	M238-L326 HydrophobicContact SD-CD2 3.81Å; T322-L326 HydrophobicContact CG2-CD1 4.42Å; T322-L326 WeakPolarHBondContact O-CB 3.2Å; T322-L326 PolarHBondContact O-N 2.9Å; W323-L326 HydrophobicContact CE3-CB 4.45Å; W323-L326 HydrophobicContact CE3-CD1 4.1Å; W323-L326 HydrophobicContact CZ3-CD1 4.31Å; W323-L326 PolarHBondContact O-N 3.23Å; W323-L326 VanDerWaalsContact O-N 3.11Å; L326-T329 CarbonylContact O-C 3.58Å; L326-T329 PolarHBondContact O-N 3.22Å; L326-T329 PolarHBondContact O-OG1 3.21Å; L326-W331 HydrophobicContact CD2-CB 4.42Å; L326-W331 HydrophobicContact CD2-CD2 4.32Å; L326-W331 HydrophobicContact CD2-CE3 4.24Å; L326-W331 HydrophobicContact CD2-CG 4.39Å; L326-W331 WeakPolarHBondContact O-CB 3.46Å; L326-W331 PolarHBondContact O-N 3.19Å
327	E	52.1	Low	47.9	Very low	112 Å²	112	83.5 Å²	83.5	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-42.2	179	-170.1	170.7	-164.8	0	0	111	W323 H325	W323-E327 WeakPolarHBondContact O-CB 3.44Å; W323-E327 PolarHBondContact O-N 2.94Å; H325-E327 VanDerWaalsContact C-N 3.33Å; H325-E327 PolarHBondContact O-N 2.65Å
328	R	52.3	Low	48.2	Very low	209 Å²	209	82.1 Å²	82.1	79%	0.789	40%	0.398	S	S	*	.	H	α-helix	trans	-68.9	-35.6	171.4	-76.2	175.2	168.9	-180	-3.7	113.5	N324 H325 S330	N324-R328 VanDerWaalsContact O-CB 3.22Å; N324-R328 WeakPolarHBondContact O-CB 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.35Å; N324-R328 PolarHBondContact O-N 3.36Å; H325-R328 PolarHBondContact O-N 3Å; R328-S330 PolarHBondContact O-N 3.46Å; R328-S330 VanDerWaalsContact O-N 3.07Å
329	T	48.7	Very low	48.7	Very low	50 Å²	50	85.2 Å²	85.2	31%	0.307	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	43.9	175.8	63.7	0	0	0	0	112	H325 L326 W331	H325-T329 WeakPolarHBondContact O-CB 3.28Å; H325-T329 WeakPolarHBondContact O-CG2 3.46Å; H325-T329 PolarHBondContact O-N 3.11Å; H325-T329 PolarHBondContact O-OG1 3.45Å; L326-T329 CarbonylContact O-C 3.58Å; L326-T329 PolarHBondContact O-N 3.22Å; L326-T329 PolarHBondContact O-OG1 3.21Å; T329-W331 VanDerWaalsContact C-N 3.25Å; T329-W331 PolarHBondContact O-N 3.03Å
330	S	49.7	Very low	49.5	Very low	43 Å²	43	86.4 Å²	86.4	30%	0.301	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.2	161.9	60	0	0	0	0	116.1	R328 L332 P333 Y334	R328-S330 PolarHBondContact O-N 3.46Å; R328-S330 VanDerWaalsContact O-N 3.07Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-P333 WeakPolarHBondContact O-CD 3.24Å; S330-Y334 PolarHBondContact O-N 3.16Å
331	W	46.7	Very low	49.8	Very low	78 Å²	78	84.4 Å²	84.4	30%	0.295	41%	0.411	S	S	.	.	H	α-helix	trans	-70	-29.4	177.3	-173.8	-87.2	0	0	0	112.7	M238 L326 T329 Y334 L335	M238-W331 HydrophobicContact CB-CZ3 4.33Å; L326-W331 HydrophobicContact CD2-CB 4.42Å; L326-W331 HydrophobicContact CD2-CD2 4.32Å; L326-W331 HydrophobicContact CD2-CE3 4.24Å; L326-W331 HydrophobicContact CD2-CG 4.39Å; L326-W331 WeakPolarHBondContact O-CB 3.46Å; L326-W331 PolarHBondContact O-N 3.19Å; T329-W331 VanDerWaalsContact C-N 3.25Å; T329-W331 PolarHBondContact O-N 3.03Å; W331-Y334 HydrophobicContact CD2-CD1 4.35Å; W331-Y334 HydrophobicContact CE3-CD1 4.38Å; W331-Y334 HydrophobicContact CH2-CD1 4.23Å; W331-Y334 HydrophobicContact CH2-CE1 4.07Å; W331-Y334 HydrophobicContact CZ2-CD1 4.18Å; W331-Y334 HydrophobicContact CZ2-CE1 4.17Å; W331-Y334 HydrophobicContact CZ3-CD1 4.32Å; W331-Y334 HydrophobicContact CZ3-CE1 4.48Å; W331-Y334 WeakPolarHBondContact O-CB 3.5Å; W331-Y334 PolarHBondContact O-N 2.98Å; W331-L335 PolarHBondContact O-N 2.87Å
332	L	50	Low	49.9	Very low	93 Å²	93	82.7 Å²	82.7	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-55.4	174	-88.9	67.6	0	0	0	111.6	S330 Y334 L335 D336	S330-L332 VanDerWaalsContact C-N 3.33Å; L332-Y334 PolarHBondContact O-N 3.35Å; L332-L335 WeakPolarHBondContact O-CA 3.05Å; L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-D336 PolarHBondContact O-N 2.86Å
333	P	50.3	Low	50.7	Low	57 Å²	57	88.4 Å²	88.4	37%	0.37	42%	0.424	S	S	.	.	H	α-helix	trans	-53.3	-28.2	172	-30.8	34.9	0	0	0	115.5	S330 T337	S330-P333 WeakPolarHBondContact O-CD 3.24Å; P333-T337 WeakPolarHBondContact O-CB 3.49Å; P333-T337 WeakPolarHBondContact O-CG2 3.49Å; P333-T337 PolarHBondContact O-N 3.23Å; P333-T337 PolarHBondContact O-OG1 3.28Å
334	Y	45.2	Very low	51.8	Low	37 Å²	37	87.4 Å²	87.4	15%	0.145	42%	0.424	C	S	.	.	H	α-helix	trans	-72.4	-41.1	173.1	171.1	-97.1	0	0	0	112.2	L245 S330 W331 L332 T337 V338	L245-Y334 HydrophobicContact CD1-CE2 4.27Å; L245-Y334 WeakPolarHBondContact CD1-OH 3.3Å; S330-Y334 PolarHBondContact O-N 3.16Å; W331-Y334 HydrophobicContact CD2-CD1 4.35Å; W331-Y334 HydrophobicContact CE3-CD1 4.38Å; W331-Y334 HydrophobicContact CH2-CD1 4.23Å; W331-Y334 HydrophobicContact CH2-CE1 4.07Å; W331-Y334 HydrophobicContact CZ2-CD1 4.18Å; W331-Y334 HydrophobicContact CZ2-CE1 4.17Å; W331-Y334 HydrophobicContact CZ3-CD1 4.32Å; W331-Y334 HydrophobicContact CZ3-CE1 4.48Å; W331-Y334 WeakPolarHBondContact O-CB 3.5Å; W331-Y334 PolarHBondContact O-N 2.98Å; L332-Y334 PolarHBondContact O-N 3.35Å; Y334-T337 PolarHBondContact O-OG1 2.71Å; Y334-V338 HydrophobicContact CD2-CG2 4.19Å; Y334-V338 HydrophobicContact CE1-CG2 4.18Å; Y334-V338 HydrophobicContact CE2-CG2 3.71Å; Y334-V338 WeakPolarHBondContact O-CB 3.49Å; Y334-V338 VanDerWaalsContact O-CG2 3.27Å; Y334-V338 WeakPolarHBondContact O-CG2 3.43Å; Y334-V338 PolarHBondContact O-N 3.36Å
335	L	48.2	Very low	52	Low	86 Å²	86	86.5 Å²	86.5	45%	0.45	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-47.4	171.2	-69.6	172.9	0	0	0	110.8	W331 L332 T337 V338 D339	W331-L335 PolarHBondContact O-N 2.87Å; L332-L335 WeakPolarHBondContact O-CA 3.05Å; L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 2.95Å; L335-T337 PolarHBondContact O-N 3.37Å; L335-V338 PolarHBondContact O-N 2.91Å; L335-D339 WeakPolarHBondContact O-CB 3.38Å; L335-D339 PolarHBondContact O-N 3.44Å
336	D	54.8	Low	52.2	Low	85 Å²	85	89.6 Å²	89.6	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-59.2	-44.8	179.1	-62.9	-38.7	0	0	0	111.7	L332 D339 D340	L332-D336 PolarHBondContact O-N 2.86Å; D336-D339 PolarHBondContact O-N 3.47Å; D336-D340 WeakPolarHBondContact O-CB 3.37Å; D336-D340 PolarHBondContact O-N 3.28Å
337	T	53	Low	53.2	Low	88 Å²	88	92.3 Å²	92.3	54%	0.54	44%	0.444	S	S	.	.	H	α-helix	trans	-74.3	-27.8	179.4	49.9	0	0	0	0	113.9	P333 Y334 L335 Y341	P333-T337 WeakPolarHBondContact O-CB 3.49Å; P333-T337 WeakPolarHBondContact O-CG2 3.49Å; P333-T337 PolarHBondContact O-N 3.23Å; P333-T337 PolarHBondContact O-OG1 3.28Å; Y334-T337 PolarHBondContact O-OG1 2.71Å; L335-T337 PolarHBondContact O-N 3.37Å; T337-Y341 VanDerWaalsContact O-CB 3.29Å; T337-Y341 WeakPolarHBondContact O-CB 3.41Å; T337-Y341 PolarHBondContact O-N 3.34Å
338	V	47	Very low	53.9	Low	40 Å²	40	90.5 Å²	90.5	24%	0.242	44%	0.438	C	S	.	.	H	α-helix	trans	-72.9	-41.5	170.5	168.9	0	0	0	0	110.7	Y334 L335 Y341 L342	Y334-V338 HydrophobicContact CD2-CG2 4.19Å; Y334-V338 HydrophobicContact CE1-CG2 4.18Å; Y334-V338 HydrophobicContact CE2-CG2 3.71Å; Y334-V338 WeakPolarHBondContact O-CB 3.49Å; Y334-V338 VanDerWaalsContact O-CG2 3.27Å; Y334-V338 WeakPolarHBondContact O-CG2 3.43Å; Y334-V338 PolarHBondContact O-N 3.36Å; L335-V338 PolarHBondContact O-N 2.91Å; V338-Y341 PolarHBondContact O-N 2.92Å; V338-L342 HydrophobicContact CG1-CD1 3.89Å; V338-L342 HydrophobicContact CG1-CG 4.35Å; V338-L342 WeakPolarHBondContact O-CB 3.37Å; V338-L342 VanDerWaalsContact O-CG 3.26Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 3.08Å
339	D	51.6	Low	53.9	Low	109 Å²	109	85.5 Å²	85.5	58%	0.583	43%	0.427	S	S	*	.	H	α-helix	trans	-67.4	-40.8	175.1	-105.1	6.8	0	0	0	111.4	L335 D336 Y341 L342 R343	L335-D339 WeakPolarHBondContact O-CB 3.38Å; L335-D339 PolarHBondContact O-N 3.44Å; D336-D339 PolarHBondContact O-N 3.47Å; D339-Y341 PolarHBondContact O-N 3.05Å; D339-L342 PolarHBondContact O-N 2.65Å; D339-R343 WeakPolarHBondContact O-CA 3.46Å; D339-R343 WeakPolarHBondContact O-CB 3.41Å; D339-R343 PolarHBondContact O-N 3.18Å
340	D	63.2	Low	54.3	Low	100 Å²	100	86.7 Å²	86.7	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-33.8	173.4	-97.6	-0.5	0	0	0	112.6	D336 R343 K344	D336-D340 WeakPolarHBondContact O-CB 3.37Å; D336-D340 PolarHBondContact O-N 3.28Å; D340-R343 IonicContact OD1-NH1 2.83Å; D340-K344 WeakPolarHBondContact O-CB 3.24Å; D340-K344 PolarHBondContact O-N 2.7Å
341	Y	48.8	Very low	55	Low	96 Å²	96	88.3 Å²	88.3	38%	0.376	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-49.1	171	-179.1	-93	0	0	0	111.2	F249 T337 V338 D339 R343 K344 T345	F249-Y341 HydrophobicContact CD1-CD1 4.43Å; F249-Y341 HydrophobicContact CD1-CD2 4.21Å; F249-Y341 HydrophobicContact CD1-CE1 4.16Å; F249-Y341 AromaticContact CD1-CE2 3.94Å; F249-Y341 HydrophobicContact CD1-CE2 3.94Å; F249-Y341 HydrophobicContact CD1-CG 4.45Å; F249-Y341 AromaticContact CD1-CZ 3.92Å; F249-Y341 AromaticContact CE1-CD1 3.89Å; F249-Y341 HydrophobicContact CE1-CD1 3.89Å; F249-Y341 HydrophobicContact CE1-CD2 4.48Å; F249-Y341 AromaticContact CE1-CE1 3.59Å; F249-Y341 HydrophobicContact CE1-CE1 3.59Å; F249-Y341 HydrophobicContact CE1-CE2 4.22Å; F249-Y341 HydrophobicContact CE1-CG 4.33Å; F249-Y341 AromaticContact CE1-CZ 3.78Å; F249-Y341 HydrophobicContact CZ-CD1 4.46Å; F249-Y341 HydrophobicContact CZ-CE1 4.46Å; T337-Y341 VanDerWaalsContact O-CB 3.29Å; T337-Y341 WeakPolarHBondContact O-CB 3.41Å; T337-Y341 PolarHBondContact O-N 3.34Å; V338-Y341 PolarHBondContact O-N 2.92Å; D339-Y341 PolarHBondContact O-N 3.05Å; Y341-R343 VanDerWaalsContact C-N 3.26Å; Y341-R343 PolarHBondContact O-N 3.11Å; Y341-K344 PolarHBondContact O-N 3.03Å; Y341-T345 WeakPolarHBondContact O-CB 3.38Å; Y341-T345 PolarHBondContact O-N 2.67Å; Y341-T345 PolarHBondContact O-OG1 3.06Å
342	L	47.7	Very low	55.7	Low	75 Å²	75	90 Å²	90	39%	0.393	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-33.6	177	-72.8	172.2	0	0	0	112.2	V338 D339 R346	V338-L342 HydrophobicContact CG1-CD1 3.89Å; V338-L342 HydrophobicContact CG1-CG 4.35Å; V338-L342 WeakPolarHBondContact O-CB 3.37Å; V338-L342 VanDerWaalsContact O-CG 3.26Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 3.08Å; D339-L342 PolarHBondContact O-N 2.65Å; L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 2.76Å
343	R	62.5	Low	55.8	Low	148 Å²	148	88.4 Å²	88.4	56%	0.558	44%	0.443	S	S	*	.	H	α-helix	trans	-69.1	-52.8	174.1	-170.8	-175.5	-144	153.4	5.2	110.1	D339 D340 Y341 T345 R346 D347	D339-R343 WeakPolarHBondContact O-CA 3.46Å; D339-R343 WeakPolarHBondContact O-CB 3.41Å; D339-R343 PolarHBondContact O-N 3.18Å; D340-R343 IonicContact OD1-NH1 2.83Å; Y341-R343 VanDerWaalsContact C-N 3.26Å; Y341-R343 PolarHBondContact O-N 3.11Å; R343-T345 VanDerWaalsContact C-N 3.32Å; R343-T345 PolarHBondContact O-N 3.04Å; R343-R346 CarbonylContact O-C 3.41Å; R343-R346 WeakPolarHBondContact O-CA 3.43Å; R343-R346 WeakPolarHBondContact O-CB 3.34Å; R343-R346 PolarHBondContact O-N 3.14Å; R343-R346 VanDerWaalsContact O-N 3.08Å; R343-D347 WeakPolarHBondContact O-CB 3.37Å; R343-D347 PolarHBondContact O-N 2.95Å
344	K	70.5	Confident	56.1	Low	149 Å²	149	91 Å²	91	65%	0.648	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-36.2	176.8	-173.3	176	-179	-179.6	0	113	D340 Y341 D347 D348	D340-K344 WeakPolarHBondContact O-CB 3.24Å; D340-K344 PolarHBondContact O-N 2.7Å; Y341-K344 PolarHBondContact O-N 3.03Å; K344-D347 PolarHBondContact O-N 3.02Å; K344-D348 VanDerWaalsContact O-CB 3.26Å; K344-D348 WeakPolarHBondContact O-CB 3.31Å; K344-D348 PolarHBondContact O-N 2.92Å
345	T	54.8	Low	56.8	Low	57 Å²	57	94.5 Å²	94.5	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-72.1	-35.8	173.7	-58.5	0	0	0	0	111.5	Y341 R343 L349	Y341-T345 WeakPolarHBondContact O-CB 3.38Å; Y341-T345 PolarHBondContact O-N 2.67Å; Y341-T345 PolarHBondContact O-OG1 3.06Å; R343-T345 VanDerWaalsContact C-N 3.32Å; R343-T345 PolarHBondContact O-N 3.04Å; T345-L349 WeakPolarHBondContact O-CB 3.46Å; T345-L349 PolarHBondContact O-N 3Å
346	R	53.5	Low	57.1	Low	143 Å²	143	98.4 Å²	98.4	54%	0.54	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-43.4	169.5	-178.9	-179.6	-59.4	121	6.7	111.2	L342 R343 L349 D350	L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 2.76Å; R343-R346 CarbonylContact O-C 3.41Å; R343-R346 WeakPolarHBondContact O-CA 3.43Å; R343-R346 WeakPolarHBondContact O-CB 3.34Å; R343-R346 PolarHBondContact O-N 3.14Å; R343-R346 VanDerWaalsContact O-N 3.08Å; R346-L349 PolarHBondContact O-N 3.25Å; R346-D350 WeakPolarHBondContact CG-OD2 3.33Å; R346-D350 WeakPolarHBondContact O-CA 3.26Å; R346-D350 WeakPolarHBondContact O-CB 3.4Å; R346-D350 VanDerWaalsContact O-CG 3.26Å; R346-D350 PolarHBondContact O-N 2.95Å
347	D	66.6	Low	56.9	Low	83 Å²	83	101.9 Å²	101.9	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-39.8	-179.7	-61.2	-24.3	0	0	0	110.8	R343 K344 T351	R343-D347 WeakPolarHBondContact O-CB 3.37Å; R343-D347 PolarHBondContact O-N 2.95Å; K344-D347 PolarHBondContact O-N 3.02Å; D347-T351 VanDerWaalsContact O-CB 3.22Å; D347-T351 WeakPolarHBondContact O-CB 3.44Å; D347-T351 PolarHBondContact O-N 2.83Å; D347-T351 PolarHBondContact O-OG1 3.03Å
348	D	66.5	Low	57	Low	75 Å²	75	99.6 Å²	99.6	40%	0.401	48%	0.481	S	S	.	.	H	α-helix	trans	-69	-38.2	173.4	174.3	66.1	0	0	0	112.3	K344 K352	K344-D348 VanDerWaalsContact O-CB 3.26Å; K344-D348 WeakPolarHBondContact O-CB 3.31Å; K344-D348 PolarHBondContact O-N 2.92Å; D348-K352 WeakPolarHBondContact O-CB 3.19Å; D348-K352 WeakPolarHBondContact O-CD 3.39Å; D348-K352 VanDerWaalsContact O-CG 3.28Å; D348-K352 WeakPolarHBondContact O-CG 3.33Å; D348-K352 PolarHBondContact O-N 3.18Å; D348-K352 WeakPolarHBondContact OD1-CE 3.46Å; D348-K352 IonicContact OD1-NZ 2.83Å; D348-K352 PolarHBondContact OD1-NZ 3.07Å; D348-K352 IonicContact OD2-NZ 2.96Å; D348-K352 PolarHBondContact OD2-NZ 2.87Å
349	L	53.6	Low	57.6	Low	104 Å²	104	101.5 Å²	101.5	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-68.7	-47.3	173.7	-174.4	69.9	0	0	0	111.3	T345 R346 T351 K352 V353	T345-L349 WeakPolarHBondContact O-CB 3.46Å; T345-L349 PolarHBondContact O-N 3Å; R346-L349 PolarHBondContact O-N 3.25Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 3.36Å; L349-K352 CarbonylContact O-C 3.59Å; L349-K352 PolarHBondContact O-N 3.01Å; L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 VanDerWaalsContact O-CB 3.27Å; L349-V353 WeakPolarHBondContact O-CB 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.37Å; L349-V353 PolarHBondContact O-N 3.31Å
350	D	55.9	Low	57.6	Low	75 Å²	75	103.2 Å²	103.2	40%	0.401	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-36.6	175.9	-75.7	-15.8	0	0	0	110.3	R346 V353 I354	R346-D350 WeakPolarHBondContact CG-OD2 3.33Å; R346-D350 WeakPolarHBondContact O-CA 3.26Å; R346-D350 WeakPolarHBondContact O-CB 3.4Å; R346-D350 VanDerWaalsContact O-CG 3.26Å; R346-D350 PolarHBondContact O-N 2.95Å; D350-V353 PolarHBondContact O-N 2.94Å; D350-I354 WeakPolarHBondContact O-CB 3.47Å; D350-I354 WeakPolarHBondContact O-CD1 3.37Å; D350-I354 WeakPolarHBondContact O-CG1 3.24Å; D350-I354 PolarHBondContact O-N 3.25Å
351	T	65.4	Low	57.1	Low	77 Å²	77	103.1 Å²	103.1	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-48.1	171.8	-57.5	0	0	0	0	110.9	D347 L349 V353 I354 D355	D347-T351 VanDerWaalsContact O-CB 3.22Å; D347-T351 WeakPolarHBondContact O-CB 3.44Å; D347-T351 PolarHBondContact O-N 2.83Å; D347-T351 PolarHBondContact O-OG1 3.03Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 3.36Å; T351-V353 VanDerWaalsContact C-N 3.31Å; T351-V353 PolarHBondContact O-N 3.42Å; T351-I354 CarbonylContact O-C 3.58Å; T351-I354 PolarHBondContact O-N 3Å; T351-D355 PolarHBondContact O-N 3.01Å
352	K	59.9	Low	57.7	Low	114 Å²	114	105.4 Å²	105.4	50%	0.496	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-34.2	177.4	-74.7	164	-176.1	162.1	0	113	D348 L349 Y356	D348-K352 WeakPolarHBondContact O-CB 3.19Å; D348-K352 WeakPolarHBondContact O-CD 3.39Å; D348-K352 VanDerWaalsContact O-CG 3.28Å; D348-K352 WeakPolarHBondContact O-CG 3.33Å; D348-K352 PolarHBondContact O-N 3.18Å; D348-K352 WeakPolarHBondContact OD1-CE 3.46Å; D348-K352 IonicContact OD1-NZ 2.83Å; D348-K352 PolarHBondContact OD1-NZ 3.07Å; D348-K352 IonicContact OD2-NZ 2.96Å; D348-K352 PolarHBondContact OD2-NZ 2.87Å; L349-K352 CarbonylContact O-C 3.59Å; L349-K352 PolarHBondContact O-N 3.01Å; K352-Y356 WeakPolarHBondContact O-CB 3.18Å; K352-Y356 PolarHBondContact O-N 3.22Å
353	V	52.2	Low	58.2	Low	59 Å²	59	106.8 Å²	106.8	36%	0.358	51%	0.514	S	S	.	.	H	α-helix	trans	-69.2	-45.8	172.9	166.1	0	0	0	0	109.4	L349 D350 T351 D355 Y356 W357	L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 VanDerWaalsContact O-CB 3.27Å; L349-V353 WeakPolarHBondContact O-CB 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.37Å; L349-V353 PolarHBondContact O-N 3.31Å; D350-V353 PolarHBondContact O-N 2.94Å; T351-V353 VanDerWaalsContact C-N 3.31Å; T351-V353 PolarHBondContact O-N 3.42Å; V353-D355 VanDerWaalsContact C-N 3.33Å; V353-D355 PolarHBondContact O-N 3.34Å; V353-Y356 CarbonylContact O-C 3.6Å; V353-Y356 WeakPolarHBondContact O-CB 3.47Å; V353-Y356 PolarHBondContact O-N 3.2Å; V353-Y356 VanDerWaalsContact O-N 3.11Å; V353-W357 WeakPolarHBondContact O-CB 3.21Å; V353-W357 PolarHBondContact O-N 3.14Å
354	I	56.4	Low	57.9	Low	110 Å²	110	103.5 Å²	103.5	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-41.9	174.6	-74.2	162.9	0	0	0	110.6	D350 T351 Y356 W357 A358	D350-I354 WeakPolarHBondContact O-CB 3.47Å; D350-I354 WeakPolarHBondContact O-CD1 3.37Å; D350-I354 WeakPolarHBondContact O-CG1 3.24Å; D350-I354 PolarHBondContact O-N 3.25Å; T351-I354 CarbonylContact O-C 3.58Å; T351-I354 PolarHBondContact O-N 3Å; I354-Y356 VanDerWaalsContact C-N 3.35Å; I354-Y356 PolarHBondContact O-N 3.5Å; I354-W357 CarbonylContact O-C 3.52Å; I354-W357 PolarHBondContact O-N 3.48Å; I354-A358 WeakPolarHBondContact O-CA 3.2Å; I354-A358 WeakPolarHBondContact O-CB 3.12Å; I354-A358 PolarHBondContact O-N 2.97Å
355	D	60.9	Low	57.1	Low	111 Å²	111	98.6 Å²	98.6	59%	0.594	49%	0.494	S	S	*	.	H	α-helix	trans	-63.5	-38.8	174.1	-75.3	-27.4	0	0	0	112.2	T351 V353	T351-D355 PolarHBondContact O-N 3.01Å; V353-D355 VanDerWaalsContact C-N 3.33Å; V353-D355 PolarHBondContact O-N 3.34Å
356	Y	53.9	Low	57.4	Low	168 Å²	168	101.6 Å²	101.6	66%	0.659	51%	0.508	S	S	*	.	H	α-helix	trans	-69.6	-33	175	-126.6	-85.3	0	0	0	113.2	K352 V353 I354	K352-Y356 WeakPolarHBondContact O-CB 3.18Å; K352-Y356 PolarHBondContact O-N 3.22Å; V353-Y356 CarbonylContact O-C 3.6Å; V353-Y356 WeakPolarHBondContact O-CB 3.47Å; V353-Y356 PolarHBondContact O-N 3.2Å; V353-Y356 VanDerWaalsContact O-N 3.11Å; I354-Y356 VanDerWaalsContact C-N 3.35Å; I354-Y356 PolarHBondContact O-N 3.5Å
357	W	51.8	Low	57.4	Low	158 Å²	158	98.8 Å²	98.8	60%	0.598	50%	0.503	S	S	*	.	H	α-helix	trans	-93.2	-18.9	-178	-79.8	85.2	0	0	0	113.1	V353 I354 P359 Y360 D361	V353-W357 WeakPolarHBondContact O-CB 3.21Å; V353-W357 PolarHBondContact O-N 3.14Å; I354-W357 CarbonylContact O-C 3.52Å; I354-W357 PolarHBondContact O-N 3.48Å; W357-P359 VanDerWaalsContact C-CD 3.4Å; W357-P359 VanDerWaalsContact C-N 3.32Å; W357-Y360 HydrophobicContact CE3-CG 4.4Å; W357-Y360 CarbonylContact O-C 3.53Å; W357-Y360 VanDerWaalsContact O-CA 3.28Å; W357-Y360 WeakPolarHBondContact O-CA 3.19Å; W357-Y360 VanDerWaalsContact O-CB 3.29Å; W357-Y360 WeakPolarHBondContact O-CB 3.22Å; W357-Y360 PolarHBondContact O-N 3.21Å; W357-D361 PolarHBondContact O-N 2.99Å
358	A	55	Low	56.6	Low	41 Å²	41	97.3 Å²	97.3	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-54.3	-35.7	-178.3	0	0	0	0	0	114.4	I354 Y360 D361 Q362	I354-A358 WeakPolarHBondContact O-CA 3.2Å; I354-A358 WeakPolarHBondContact O-CB 3.12Å; I354-A358 PolarHBondContact O-N 2.97Å; A358-Y360 VanDerWaalsContact C-N 3.35Å; A358-D361 PolarHBondContact O-N 3.4Å; A358-Q362 WeakPolarHBondContact O-CB 3.2Å; A358-Q362 PolarHBondContact O-N 2.92Å
359	P	58.3	Low	56	Low	80 Å²	80	98.7 Å²	98.7	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-37.8	170.7	-21.8	34.4	0	0	0	112.8	W357 L363	W357-P359 VanDerWaalsContact C-CD 3.4Å; W357-P359 VanDerWaalsContact C-N 3.32Å; P359-L363 WeakPolarHBondContact O-CB 3.12Å; P359-L363 PolarHBondContact O-N 3.3Å; P359-L363 VanDerWaalsContact O-N 3.11Å
360	Y	53.2	Low	55.8	Low	145 Å²	145	97.4 Å²	97.4	57%	0.569	50%	0.5	S	S	*	.	H	α-helix	trans	-73.2	-31.7	174.5	-63.7	-85.1	0	0	0	112.1	W357 A358 L363 L364	W357-Y360 HydrophobicContact CE3-CG 4.4Å; W357-Y360 CarbonylContact O-C 3.53Å; W357-Y360 VanDerWaalsContact O-CA 3.28Å; W357-Y360 WeakPolarHBondContact O-CA 3.19Å; W357-Y360 VanDerWaalsContact O-CB 3.29Å; W357-Y360 WeakPolarHBondContact O-CB 3.22Å; W357-Y360 PolarHBondContact O-N 3.21Å; A358-Y360 VanDerWaalsContact C-N 3.35Å; Y360-L363 CarbonylContact O-C 3.59Å; Y360-L363 WeakPolarHBondContact O-CB 3.42Å; Y360-L363 PolarHBondContact O-N 2.86Å; Y360-L364 VanDerWaalsContact O-CB 3.27Å; Y360-L364 WeakPolarHBondContact O-CB 3.43Å; Y360-L364 PolarHBondContact O-N 2.85Å
361	D	52.1	Low	55.4	Low	98 Å²	98	99.2 Å²	99.2	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-79.8	-31.1	-180	-139	31.9	0	0	0	111.3	W357 A358 L364 A365	W357-D361 PolarHBondContact O-N 2.99Å; A358-D361 PolarHBondContact O-N 3.4Å; D361-L364 PolarHBondContact O-N 3.04Å; D361-A365 WeakPolarHBondContact O-CB 3.49Å; D361-A365 PolarHBondContact O-N 3.33Å
362	Q	60	Low	54.5	Low	143 Å²	143	105.3 Å²	105.3	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-43.7	161.3	-89.8	-170.9	-10.9	0	0	111.6	A358 L364 A365 N366	A358-Q362 WeakPolarHBondContact O-CB 3.2Å; A358-Q362 PolarHBondContact O-N 2.92Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; Q362-L364 PolarHBondContact O-N 2.87Å; Q362-A365 PolarHBondContact O-N 3.23Å; Q362-N366 WeakPolarHBondContact O-CB 3.26Å; Q362-N366 PolarHBondContact O-N 3.39Å; Q362-N366 PolarHBondContact O-ND2 2.8Å; Q362-N366 VanDerWaalsContact O-ND2 3.1Å
363	L	58.3	Low	54.3	Low	104 Å²	104	103.3 Å²	103.3	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-35.9	177.1	-171.4	146.3	0	0	0	111.7	P359 Y360 N366 L367	P359-L363 WeakPolarHBondContact O-CB 3.12Å; P359-L363 PolarHBondContact O-N 3.3Å; P359-L363 VanDerWaalsContact O-N 3.11Å; Y360-L363 CarbonylContact O-C 3.59Å; Y360-L363 WeakPolarHBondContact O-CB 3.42Å; Y360-L363 PolarHBondContact O-N 2.86Å; L363-N366 PolarHBondContact O-N 3.03Å; L363-L367 HydrophobicContact CD2-CD1 3.82Å; L363-L367 WeakPolarHBondContact O-CG 3.22Å; L363-L367 PolarHBondContact O-N 3.21Å; L363-L367 VanDerWaalsContact O-N 3.09Å
364	L	56.5	Low	54.1	Low	80 Å²	80	102.1 Å²	102.1	42%	0.419	52%	0.521	S	S	.	.	H	α-helix	trans	-73.3	-37.9	175.1	-169.7	66	0	0	0	111.7	Y360 D361 Q362 N366 L367 L368	Y360-L364 VanDerWaalsContact O-CB 3.27Å; Y360-L364 WeakPolarHBondContact O-CB 3.43Å; Y360-L364 PolarHBondContact O-N 2.85Å; D361-L364 PolarHBondContact O-N 3.04Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; Q362-L364 PolarHBondContact O-N 2.87Å; L364-N366 VanDerWaalsContact C-N 3.33Å; L364-L367 CarbonylContact O-C 3.44Å; L364-L367 WeakPolarHBondContact O-CA 3.43Å; L364-L367 WeakPolarHBondContact O-CB 3.17Å; L364-L367 PolarHBondContact O-N 3.26Å; L364-L368 HydrophobicContact CD2-CD1 4.4Å; L364-L368 HydrophobicContact CG-CD1 3.92Å; L364-L368 HydrophobicContact CG-CG 4.4Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 2.9Å
365	A	54.1	Low	53.5	Low	46 Å²	46	98.5 Å²	98.5	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-39.8	171.5	0	0	0	0	0	111.4	D361 Q362 L367 L368 T369	D361-A365 WeakPolarHBondContact O-CB 3.49Å; D361-A365 PolarHBondContact O-N 3.33Å; Q362-A365 PolarHBondContact O-N 3.23Å; A365-L367 PolarHBondContact O-N 2.9Å; A365-L368 PolarHBondContact O-N 2.91Å; A365-T369 WeakPolarHBondContact O-CB 3.43Å; A365-T369 WeakPolarHBondContact O-CG2 3.32Å; A365-T369 PolarHBondContact O-N 3.19Å; A365-T369 PolarHBondContact O-OG1 2.86Å
366	N	61.9	Low	52.9	Low	119 Å²	119	96 Å²	96	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-23.4	171.6	-69.9	-30.2	0	0	0	112.8	Q362 L363 L364 T369	Q362-N366 WeakPolarHBondContact O-CB 3.26Å; Q362-N366 PolarHBondContact O-N 3.39Å; Q362-N366 PolarHBondContact O-ND2 2.8Å; Q362-N366 VanDerWaalsContact O-ND2 3.1Å; L363-N366 PolarHBondContact O-N 3.03Å; L364-N366 VanDerWaalsContact C-N 3.33Å; N366-T369 WeakPolarHBondContact CA-OG1 3.11Å; N366-T369 PolarHBondContact O-OG1 3.14Å
367	L	52.2	Low	52.5	Low	84 Å²	84	94.3 Å²	94.3	44%	0.44	49%	0.493	S	S	.	.	H	α-helix	trans	-87.5	-28	170.9	-73.6	166.5	0	0	0	113.7	L363 L364 A365 N370	L363-L367 HydrophobicContact CD2-CD1 3.82Å; L363-L367 WeakPolarHBondContact O-CG 3.22Å; L363-L367 PolarHBondContact O-N 3.21Å; L363-L367 VanDerWaalsContact O-N 3.09Å; L364-L367 CarbonylContact O-C 3.44Å; L364-L367 WeakPolarHBondContact O-CA 3.43Å; L364-L367 WeakPolarHBondContact O-CB 3.17Å; L364-L367 PolarHBondContact O-N 3.26Å; A365-L367 PolarHBondContact O-N 2.9Å; L367-N370 WeakPolarHBondContact O-CB 3.25Å; L367-N370 PolarHBondContact O-N 3.03Å
368	L	50.5	Low	52.3	Low	52 Å²	52	93.2 Å²	93.2	27%	0.272	49%	0.489	S	S	.	.	H	α-helix	trans	-82.5	-30.6	179.1	-77.9	164.3	0	0	0	112.7	L364 A365 N370 L373 Y377	L364-L368 HydrophobicContact CD2-CD1 4.4Å; L364-L368 HydrophobicContact CG-CD1 3.92Å; L364-L368 HydrophobicContact CG-CG 4.4Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 2.9Å; A365-L368 PolarHBondContact O-N 2.91Å; L368-N370 PolarHBondContact O-N 2.9Å; L368-L373 HydrophobicContact CD2-CB 4.5Å; L368-L373 HydrophobicContact CD2-CD2 4.02Å; L368-Y377 HydrophobicContact CD1-CE2 4.46Å; L368-Y377 HydrophobicContact CD2-CD2 3.76Å; L368-Y377 HydrophobicContact CD2-CE2 4.22Å
369	T	53.9	Low	51.8	Low	104 Å²	104	94 Å²	94	64%	0.638	50%	0.496	S	S	*	.	S	Bend	trans	-71.8	-11.7	168.7	48.4	0	0	0	0	112.9	A365 N366	A365-T369 WeakPolarHBondContact O-CB 3.43Å; A365-T369 WeakPolarHBondContact O-CG2 3.32Å; A365-T369 PolarHBondContact O-N 3.19Å; A365-T369 PolarHBondContact O-OG1 2.86Å; N366-T369 WeakPolarHBondContact CA-OG1 3.11Å; N366-T369 PolarHBondContact O-OG1 3.14Å
370	N	50.3	Low	51.2	Low	77 Å²	77	95.5 Å²	95.5	41%	0.412	50%	0.499	S	S	.	.	S	Bend	trans	-60.5	127.6	171.1	-166.7	-39.4	0	0	0	109.6	L367 L368 W372 L373	L367-N370 WeakPolarHBondContact O-CB 3.25Å; L367-N370 PolarHBondContact O-N 3.03Å; L368-N370 PolarHBondContact O-N 2.9Å; N370-W372 PolarHBondContact O-N 3.46Å; N370-L373 PolarHBondContact O-N 2.84Å
371	P	47	Very low	50.8	Low	113 Å²	113	92.8 Å²	92.8	73%	0.734	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.2	-175.1	-29.9	36.3	0	0	0	116.2
372	W	46.7	Very low	50.3	Low	205 Å²	205	92.6 Å²	92.6	78%	0.777	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-29.4	176.6	-124.6	37.5	0	0	0	114.5	N370	N370-W372 PolarHBondContact O-N 3.46Å
373	L	54.5	Low	49.3	Very low	72 Å²	72	88.8 Å²	88.8	38%	0.377	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-30.1	-176.8	-98.7	70.4	0	0	0	113.7	L368 N370 P375 A376 Y377	L368-L373 HydrophobicContact CD2-CB 4.5Å; L368-L373 HydrophobicContact CD2-CD2 4.02Å; N370-L373 PolarHBondContact O-N 2.84Å; L373-P375 VanDerWaalsContact C-CD 3.42Å; L373-A376 PolarHBondContact O-N 2.8Å; L373-A376 VanDerWaalsContact O-N 3.09Å; L373-Y377 PolarHBondContact O-N 2.79Å
374	A	47.9	Very low	48.2	Very low	34 Å²	34	94.5 Å²	94.5	28%	0.281	50%	0.5	S	S	.	.	H	α-helix	trans	-53.1	-38.4	-175.8	0	0	0	0	0	115.3	Y377 R378	A374-Y377 PolarHBondContact O-N 3.04Å; A374-R378 WeakPolarHBondContact O-CG 3.29Å; A374-R378 PolarHBondContact O-N 2.74Å; A374-R378 VanDerWaalsContact O-N 3.16Å
375	P	45	Very low	47.2	Very low	34 Å²	34	97.5 Å²	97.5	22%	0.221	52%	0.516	C	S	.	.	H	α-helix	trans	-64.2	-39.6	176.7	-22.5	34.7	0	0	0	113.3	L373 Y377 R378 A379	L373-P375 VanDerWaalsContact C-CD 3.42Å; P375-Y377 VanDerWaalsContact C-N 3.34Å; P375-Y377 PolarHBondContact O-N 2.87Å; P375-R378 PolarHBondContact O-N 3.05Å; P375-A379 PolarHBondContact O-N 3.09Å
376	A	48.1	Very low	46.3	Very low	59 Å²	59	102 Å²	102	49%	0.488	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-37.7	179	0	0	0	0	0	111.7	L373 A379 L380	L373-A376 PolarHBondContact O-N 2.8Å; L373-A376 VanDerWaalsContact O-N 3.09Å; A376-A379 PolarHBondContact O-N 3.44Å; A376-L380 WeakPolarHBondContact O-CG 3.4Å; A376-L380 PolarHBondContact O-N 2.6Å
377	Y	45.9	Very low	45	Very low	132 Å²	132	104.8 Å²	104.8	52%	0.518	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-40.1	176.9	-156.2	-90.1	0	0	0	112	L368 L373 A374 P375 L380 N381	L368-Y377 HydrophobicContact CD1-CE2 4.46Å; L368-Y377 HydrophobicContact CD2-CD2 3.76Å; L368-Y377 HydrophobicContact CD2-CE2 4.22Å; L373-Y377 PolarHBondContact O-N 2.79Å; A374-Y377 PolarHBondContact O-N 3.04Å; P375-Y377 VanDerWaalsContact C-N 3.34Å; P375-Y377 PolarHBondContact O-N 2.87Å; Y377-L380 PolarHBondContact O-N 2.86Å; Y377-N381 PolarHBondContact O-N 3Å; Y377-N381 VanDerWaalsContact O-N 3.11Å
378	R	46.7	Very low	44.2	Very low	136 Å²	136	112.4 Å²	112.4	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-45.9	172.7	-71	177.4	-177.6	171.9	-0	112.2	A374 P375 L380 N381 T382 E425	A374-R378 WeakPolarHBondContact O-CG 3.29Å; A374-R378 PolarHBondContact O-N 2.74Å; A374-R378 VanDerWaalsContact O-N 3.16Å; P375-R378 PolarHBondContact O-N 3.05Å; R378-L380 PolarHBondContact O-N 3.38Å; R378-N381 PolarHBondContact O-N 3.34Å; R378-T382 PolarHBondContact O-N 3.05Å; R378-T382 PolarHBondContact O-OG1 3.38Å; R378-E425 IonicContact NH1-OE1 2.65Å; R378-E425 PolarHBondContact NH1-OE1 3.49Å
379	A	45.4	Very low	43.3	Very low	58 Å²	58	121.3 Å²	121.3	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-63.4	-26.3	-179.6	0	0	0	0	0	113.6	P375 A376 T382	P375-A379 PolarHBondContact O-N 3.09Å; A376-A379 PolarHBondContact O-N 3.44Å; A379-T382 PolarHBondContact O-OG1 3.19Å
380	L	44.9	Very low	42.2	Very low	111 Å²	111	121.9 Å²	121.9	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-78.2	-48.4	172.2	-71.7	166.6	0	0	0	111.6	A376 Y377 R378 T382 S383	A376-L380 WeakPolarHBondContact O-CG 3.4Å; A376-L380 PolarHBondContact O-N 2.6Å; Y377-L380 PolarHBondContact O-N 2.86Å; R378-L380 PolarHBondContact O-N 3.38Å; L380-T382 PolarHBondContact O-N 2.93Å; L380-S383 WeakPolarHBondContact O-CB 2.87Å; L380-S383 PolarHBondContact O-N 3.37Å; L380-S383 VanDerWaalsContact O-N 3.15Å; L380-S383 PolarHBondContact O-OG 2.96Å
381	N	45.1	Very low	41.1	Very low	87 Å²	87	122.8 Å²	122.8	47%	0.465	60%	0.601	S	S	.	*	H	α-helix	trans	-67.8	-30.8	-172.6	-113.5	-11.2	0	0	0	114.4	Y377 R378 S383	Y377-N381 PolarHBondContact O-N 3Å; Y377-N381 VanDerWaalsContact O-N 3.11Å; R378-N381 PolarHBondContact O-N 3.34Å; N381-S383 PolarHBondContact O-N 3.39Å
382	T	41.2	Very low	40.2	Very low	94 Å²	94	125.8 Å²	125.8	58%	0.577	60%	0.603	S	S	*	*	H	α-helix	trans	-65.1	-20.5	175.2	50.9	0	0	0	0	113.2	R378 A379 L380 W384	R378-T382 PolarHBondContact O-N 3.05Å; R378-T382 PolarHBondContact O-OG1 3.38Å; A379-T382 PolarHBondContact O-OG1 3.19Å; L380-T382 PolarHBondContact O-N 2.93Å; T382-W384 PolarHBondContact O-N 2.83Å
383	S	39.3	Very low	39.6	Very low	63 Å²	63	123.7 Å²	123.7	44%	0.441	60%	0.604	S	S	.	*	H	α-helix	trans	-81	-9.7	-173.9	74	0	0	0	0	115.7	L380 N381	L380-S383 WeakPolarHBondContact O-CB 2.87Å; L380-S383 PolarHBondContact O-N 3.37Å; L380-S383 VanDerWaalsContact O-N 3.15Å; L380-S383 PolarHBondContact O-OG 2.96Å; N381-S383 PolarHBondContact O-N 3.39Å
384	W	35.5	Very low	38.4	Very low	224 Å²	224	126.9 Å²	126.9	85%	0.848	62%	0.621	S	S	*	*	H	α-helix	trans	-116.4	-28.3	-174.2	-93.2	75.9	0	0	0	115.3	T382	T382-W384 PolarHBondContact O-N 2.83Å
385	L	35.3	Very low	37.4	Very low	143 Å²	143	135.5 Å²	135.5	75%	0.749	65%	0.646	S	S	*	*	H	α-helix	trans	-87.7	-17.2	-168.8	-85	161.8	0	0	0	115.3
386	Q	35.6	Very low	36.7	Very low	142 Å²	142	138.4 Å²	138.4	66%	0.664	66%	0.664	S	S	*	*	S	Bend	trans	-92.6	-15.1	-164.9	-158	155.2	-5.2	0	0	114.9	R388	Q386-R388 VanDerWaalsContact C-N 3.28Å; Q386-R388 PolarHBondContact O-N 3.45Å
387	E	34.9	Very low	35.7	Very low	177 Å²	177	145.4 Å²	145.4	83%	0.827	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-73	-17.4	-176.5	-163.9	158.5	-152.7	0	0	113.3	R389	E387-R389 VanDerWaalsContact C-N 3.33Å; E387-R389 PolarHBondContact O-N 2.6Å
388	R	34.3	Very low	34.8	Very low	243 Å²	243	147.6 Å²	147.6	92%	0.917	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-82.6	4.8	-175.7	-138.7	-179.1	-163.9	-175.7	5.9	115.5	Q386	Q386-R388 VanDerWaalsContact C-N 3.28Å; Q386-R388 PolarHBondContact O-N 3.45Å
389	R	32	Very low	33.7	Very low	240 Å²	240	144.1 Å²	144.1	91%	0.906	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-133.4	-2.5	-179	-72.7	-165.7	-178.9	-166.4	2.6	116	E387 S391	E387-R389 VanDerWaalsContact C-N 3.33Å; E387-R389 PolarHBondContact O-N 2.6Å; R389-S391 PolarHBondContact O-N 3.37Å
390	I	29.5	Very low	32.8	Very low	115 Å²	115	148.9 Å²	148.9	59%	0.59	72%	0.715	S	S	*	*			trans	-83.5	100.5	-176.5	-57.4	178.4	0	0	0	109.7
391	S	28.5	Very low	31.9	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	73%	0.725	S	S	*	*			trans	-65.9	143.2	171.1	64.4	0	0	0	0	111.3	R389 M393	R389-S391 PolarHBondContact O-N 3.37Å; S391-M393 PolarHBondContact O-N 3.05Å
392	F	28.7	Very low	31.1	Very low	175 Å²	175	150.6 Å²	150.6	77%	0.768	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	26.6	-161.2	-109.6	-97.2	0	0	0	116.4
393	M	32.9	Very low	30.4	Very low	161 Å²	161	150.3 Å²	150.3	79%	0.793	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-49.2	-176.4	-77.7	-71.6	99.8	0	0	114.2	S391 R395	S391-M393 PolarHBondContact O-N 3.05Å; M393-R395 PolarHBondContact O-N 3.19Å
394	D	29.8	Very low	29.9	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	75%	0.749	S	S	*	*			trans	-93.4	98.4	-179.2	-72.2	-59	0	0	0	111.8
395	R	27.6	Very low	29.7	Very low	215 Å²	215	151.2 Å²	151.2	81%	0.811	75%	0.747	S	S	*	*			trans	-117.3	23.1	173.1	-143.2	179.5	-165.9	-168.1	4.9	113.4	M393	M393-R395 PolarHBondContact O-N 3.19Å
396	T	29.8	Very low	29.4	Very low	95 Å²	95	151.6 Å²	151.6	58%	0.583	75%	0.75	S	S	*	*	S	Bend	trans	-143.3	137.1	-179.4	43.8	0	0	0	0	108.9
397	Y	26.6	Very low	29.3	Very low	207 Å²	207	150 Å²	150	81%	0.812	75%	0.754	S	S	*	*			trans	64.2	148.5	-169	-45.2	-84.3	0	0	0	113.3
398	F	26.1	Very low	29	Very low	178 Å²	178	150.8 Å²	150.8	78%	0.781	76%	0.758	S	S	*	*			cis	-115.9	138.5	-1.6	-87.3	-92.6	0	0	0	112.7
399	G	24.7	Very low	29.1	Very low	63 Å²	63	147.4 Å²	147.4	65%	0.649	76%	0.758	S	S	*	*	S	Bend	trans	-131.8	142.8	141.8	0	0	0	0	0	107.4
400	L	26	Very low	29.2	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	75%	0.753	S	S	*	*	S	Bend	trans	71.7	151.5	-177.2	-48.4	162.8	0	0	0	115.5
401	V	26.7	Very low	29.3	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	76%	0.76	S	S	*	*			trans	67.5	132.7	166	-169.8	0	0	0	0	115.2
402	S	27.7	Very low	29.5	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	77%	0.774	S	S	*	*			cis	-159.6	-176.5	-22.3	-168.7	0	0	0	0	108
403	S	26	Very low	29.5	Very low	87 Å²	87	147 Å²	147	61%	0.608	77%	0.771	S	S	*	*			trans	-62.5	163.6	160.7	58	0	0	0	0	113.3
404	D	29	Very low	29.4	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	76%	0.763	S	S	*	*			trans	132.8	141.8	142.5	-61.8	-5.1	0	0	0	113.1
405	F	31.1	Very low	29.5	Very low	184 Å²	184	143.5 Å²	143.5	81%	0.807	76%	0.763	S	S	*	*			trans	68.6	107.5	177.5	-54	-76.7	0	0	0	115.2
406	D	30.3	Very low	29.8	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	76%	0.762	S	S	*	*			cis	68.2	89.2	32.6	-55.1	-40.2	0	0	0	115.8
407	S	32.9	Very low	30.1	Very low	109 Å²	109	140 Å²	140	76%	0.762	76%	0.759	S	S	*	*			trans	-165.9	96.1	142.8	54.1	0	0	0	0	105.9
408	E	29.7	Very low	30.7	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	76%	0.756	S	S	*	*				56.9	97.1	90	-69.7	-166.5	168.4	0	0	113.2
409	D	36.3	Very low	31.3	Very low	173 Å²	173	130.9 Å²	130.9	93%	0.925	75%	0.748	S	S	*	*				-147.9	134.1	126.8	-126.9	-28.1	0	0	0	108.2
410	E	32.4	Very low	32	Very low	170 Å²	170	133.3 Å²	133.3	79%	0.794	75%	0.745	S	S	*	*			trans	-83.6	170.1	-163.9	-67.4	-169.3	115.3	0	0	114.7
411	N	32.1	Very low	32.7	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	72%	0.722	S	S	*	*			trans	105	62.4	159.1	-57.1	-80.2	0	0	0	119
412	Q	32.5	Very low	33.4	Very low	206 Å²	206	124.2 Å²	124.2	96%	0.963	70%	0.702	S	S	*	*				-160	147.3	122.4	-107.3	147.8	45.3	0	0	113
413	S	29.6	Very low	34.3	Very low	102 Å²	102	121.8 Å²	121.8	71%	0.713	69%	0.688	S	S	*	*			trans	-95.1	163.6	-163.9	63	0	0	0	0	114.5
414	S	30	Very low	35.3	Very low	88 Å²	88	123.9 Å²	123.9	62%	0.615	69%	0.686	S	S	*	*			trans	58.3	103	151.3	56.5	0	0	0	0	117.8
415	N	33.6	Very low	36	Very low	140 Å²	140	121.4 Å²	121.4	75%	0.749	67%	0.67	S	S	*	*				-177.3	108.3	102.6	-86.9	-40.4	0	0	0	111.8	V417	N415-V417 PolarHBondContact O-N 2.86Å
416	D	33.1	Very low	37	Very low	149 Å²	149	116.9 Å²	116.9	80%	0.797	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	81.4	-179.6	-78	-63.3	0	0	0	113.6
417	V	36.6	Very low	38.1	Very low	86 Å²	86	116.2 Å²	116.2	52%	0.521	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.8	-28.4	175.3	-176.2	0	0	0	0	111.9	N415 N421	N415-V417 PolarHBondContact O-N 2.86Å; V417-N421 VanDerWaalsContact O-CG 3.23Å; V417-N421 PolarHBondContact O-N 3.39Å; V417-N421 PolarHBondContact O-ND2 2.85Å; V417-N421 VanDerWaalsContact O-ND2 3.16Å
418	T	38.7	Very low	39	Very low	120 Å²	120	113.1 Å²	113.1	74%	0.736	63%	0.628	S	S	*	*	H	α-helix	trans	-68.3	-48.4	-178.1	42.7	0	0	0	0	113	L420 N421 G422	T418-L420 PolarHBondContact O-N 3.2Å; T418-N421 PolarHBondContact O-N 3.17Å; T418-G422 PolarHBondContact O-N 2.84Å
419	A	39	Very low	40	Very low	75 Å²	75	109 Å²	109	62%	0.62	61%	0.612	S	S	*	*	H	α-helix	trans	-61	-41.8	-179.6	0	0	0	0	0	112.7	N421 G422	A419-N421 VanDerWaalsContact C-N 3.33Å; A419-N421 PolarHBondContact O-N 3.45Å; A419-G422 PolarHBondContact O-N 2.86Å
420	L	38.3	Very low	40.7	Very low	113 Å²	113	107.9 Å²	107.9	59%	0.592	60%	0.603	S	S	*	*	H	α-helix	trans	-72.1	-26.2	-179.4	-158.6	72.4	0	0	0	112.8	T418	T418-L420 PolarHBondContact O-N 3.2Å
421	N	41.4	Very low	41.7	Very low	62 Å²	62	103.6 Å²	103.6	33%	0.332	59%	0.585	S	S	.	*	H	α-helix	trans	-70.5	-40.3	175	-77.9	-23.7	0	0	0	112.1	V417 T418 A419 A423 K424 E425	V417-N421 VanDerWaalsContact O-CG 3.23Å; V417-N421 PolarHBondContact O-N 3.39Å; V417-N421 PolarHBondContact O-ND2 2.85Å; V417-N421 VanDerWaalsContact O-ND2 3.16Å; T418-N421 PolarHBondContact O-N 3.17Å; A419-N421 VanDerWaalsContact C-N 3.33Å; A419-N421 PolarHBondContact O-N 3.45Å; N421-A423 VanDerWaalsContact C-N 3.31Å; N421-A423 PolarHBondContact O-N 3.49Å; N421-K424 PolarHBondContact O-N 2.81Å; N421-E425 PolarHBondContact O-N 3.12Å
422	G	41.6	Very low	42.4	Very low	36 Å²	36	98.8 Å²	98.8	37%	0.371	57%	0.565	S	S	.	*	H	α-helix	trans	-60.7	-36.5	179	0	0	0	0	0	113.8	T418 A419 T426	T418-G422 PolarHBondContact O-N 2.84Å; A419-G422 PolarHBondContact O-N 2.86Å; G422-T426 WeakPolarHBondContact O-CG2 3.39Å; G422-T426 PolarHBondContact O-N 3.27Å; G422-T426 PolarHBondContact O-OG1 2.77Å
423	A	46.4	Very low	43.2	Very low	52 Å²	52	93.5 Å²	93.5	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-33.8	174.2	0	0	0	0	0	112.9	N421 T426 Q427	N421-A423 VanDerWaalsContact C-N 3.31Å; N421-A423 PolarHBondContact O-N 3.49Å; A423-T426 PolarHBondContact O-OG1 2.75Å; A423-T426 VanDerWaalsContact O-OG1 3.08Å; A423-Q427 WeakPolarHBondContact O-CG 3.19Å; A423-Q427 PolarHBondContact O-N 2.82Å
424	K	47.4	Very low	44.2	Very low	132 Å²	132	97.3 Å²	97.3	57%	0.574	55%	0.547	S	S	*	.	H	α-helix	trans	-77.3	-38.5	175.4	-73.4	-179.9	176.6	176.8	0	112.4	N421 Q427 S428	N421-K424 PolarHBondContact O-N 2.81Å; K424-Q427 PolarHBondContact O-N 2.97Å; K424-S428 WeakPolarHBondContact O-CB 3.38Å; K424-S428 PolarHBondContact O-N 3.48Å
425	E	44.1	Very low	45	Very low	69 Å²	69	98.4 Å²	98.4	32%	0.322	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-42.6	176.1	-76.6	-178	166.7	0	0	110.8	R378 N421 S428 L429	R378-E425 IonicContact NH1-OE1 2.65Å; R378-E425 PolarHBondContact NH1-OE1 3.49Å; N421-E425 PolarHBondContact O-N 3.12Å; E425-S428 WeakPolarHBondContact CA-OG 3.48Å; E425-S428 PolarHBondContact O-N 3.16Å; E425-S428 PolarHBondContact O-OG 2.9Å; E425-L429 WeakPolarHBondContact O-CG 3.19Å; E425-L429 PolarHBondContact O-N 3.46Å
426	T	51	Low	45	Very low	90 Å²	90	94.5 Å²	94.5	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-63.1	-41.9	174	47.2	0	0	0	0	113.2	G422 A423 S428 L429 M430	G422-T426 WeakPolarHBondContact O-CG2 3.39Å; G422-T426 PolarHBondContact O-N 3.27Å; G422-T426 PolarHBondContact O-OG1 2.77Å; A423-T426 PolarHBondContact O-OG1 2.75Å; A423-T426 VanDerWaalsContact O-OG1 3.08Å; T426-S428 PolarHBondContact O-N 3.19Å; T426-L429 PolarHBondContact O-N 2.9Å; T426-M430 PolarHBondContact O-N 3.46Å
427	Q	53.7	Low	45.5	Very low	138 Å²	138	91.6 Å²	91.6	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-40.5	171.7	-75.4	-177.5	-7.2	0	0	112.5	A423 K424 M430 L431	A423-Q427 WeakPolarHBondContact O-CG 3.19Å; A423-Q427 PolarHBondContact O-N 2.82Å; K424-Q427 PolarHBondContact O-N 2.97Å; Q427-M430 PolarHBondContact O-N 3.5Å; Q427-L431 WeakPolarHBondContact O-CB 3.43Å; Q427-L431 PolarHBondContact O-N 3.04Å
428	S	51.8	Low	45.6	Very low	43 Å²	43	92.1 Å²	92.1	30%	0.301	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-37	178	78.3	0	0	0	0	112.8	K424 E425 T426 L431 A432	K424-S428 WeakPolarHBondContact O-CB 3.38Å; K424-S428 PolarHBondContact O-N 3.48Å; E425-S428 WeakPolarHBondContact CA-OG 3.48Å; E425-S428 PolarHBondContact O-N 3.16Å; E425-S428 PolarHBondContact O-OG 2.9Å; T426-S428 PolarHBondContact O-N 3.19Å; S428-L431 PolarHBondContact O-N 3.33Å; S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.26Å
429	L	50.2	Low	45.8	Very low	106 Å²	106	91.8 Å²	91.8	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-68.4	-38	174.7	-76.4	162.5	0	0	0	111.8	E425 T426 A432 N433	E425-L429 WeakPolarHBondContact O-CG 3.19Å; E425-L429 PolarHBondContact O-N 3.46Å; T426-L429 PolarHBondContact O-N 2.9Å; L429-A432 PolarHBondContact O-N 3.22Å; L429-N433 PolarHBondContact O-N 2.79Å; L429-N433 VanDerWaalsContact O-N 3.14Å
430	M	50.8	Low	45.9	Very low	150 Å²	150	92.5 Å²	92.5	74%	0.739	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-42	174.3	-142.9	175.7	-157.2	0	0	111.2	T426 Q427 F434	T426-M430 PolarHBondContact O-N 3.46Å; Q427-M430 PolarHBondContact O-N 3.5Å; M430-F434 PolarHBondContact O-N 3.41Å; M430-F434 VanDerWaalsContact O-N 3.13Å
431	L	54.7	Low	46	Very low	80 Å²	80	90.1 Å²	90.1	42%	0.419	52%	0.516	S	S	.	.	H	α-helix	trans	-68.4	-38.6	176	-166.7	72.7	0	0	0	112.5	Q427 S428 F434 I435	Q427-L431 WeakPolarHBondContact O-CB 3.43Å; Q427-L431 PolarHBondContact O-N 3.04Å; S428-L431 PolarHBondContact O-N 3.33Å; L431-F434 WeakPolarHBondContact O-CA 3.37Å; L431-F434 WeakPolarHBondContact O-CB 3.02Å; L431-F434 PolarHBondContact O-N 3.45Å; L431-F434 VanDerWaalsContact O-N 3.08Å; L431-I435 HydrophobicContact CD2-CD1 4.24Å; L431-I435 HydrophobicContact CG-CD1 3.87Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.5Å; L431-I435 PolarHBondContact O-N 2.83Å
432	A	46.8	Very low	45.7	Very low	38 Å²	38	93.4 Å²	93.4	31%	0.314	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-40.8	177.3	0	0	0	0	0	112.5	S428 L429 F434 I435 G436 V437	S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.26Å; L429-A432 PolarHBondContact O-N 3.22Å; A432-F434 VanDerWaalsContact C-N 3.33Å; A432-I435 PolarHBondContact O-N 2.9Å; A432-G436 PolarHBondContact O-N 2.93Å; A432-V437 PolarHBondContact O-N 3.1Å
433	N	47.6	Very low	45.5	Very low	95 Å²	95	95.2 Å²	95.2	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-61.7	-40.2	169.5	-84	-23.6	0	0	0	111.6	L429 G436 Q439	L429-N433 PolarHBondContact O-N 2.79Å; L429-N433 VanDerWaalsContact O-N 3.14Å; N433-G436 PolarHBondContact O-N 3.01Å; N433-Q439 PolarHBondContact OD1-NE2 3.23Å
434	F	51.3	Low	45	Very low	182 Å²	182	102 Å²	102	80%	0.798	56%	0.555	S	S	*	*	H	α-helix	trans	-68	-33.4	179.8	-166.7	-91.2	0	0	0	113.4	M430 L431 A432 G436	M430-F434 PolarHBondContact O-N 3.41Å; M430-F434 VanDerWaalsContact O-N 3.13Å; L431-F434 WeakPolarHBondContact O-CA 3.37Å; L431-F434 WeakPolarHBondContact O-CB 3.02Å; L431-F434 PolarHBondContact O-N 3.45Å; L431-F434 VanDerWaalsContact O-N 3.08Å; A432-F434 VanDerWaalsContact C-N 3.33Å; F434-G436 PolarHBondContact O-N 3.47Å
435	I	46.6	Very low	44.7	Very low	110 Å²	110	100 Å²	100	56%	0.564	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.9	176	-66.4	166.7	0	0	0	111.7	L431 A432 V437	L431-I435 HydrophobicContact CD2-CD1 4.24Å; L431-I435 HydrophobicContact CG-CD1 3.87Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.5Å; L431-I435 PolarHBondContact O-N 2.83Å; A432-I435 PolarHBondContact O-N 2.9Å; I435-V437 HydrophobicContact CB-CG2 4.37Å; I435-V437 HydrophobicContact CG2-CG2 4.01Å
436	G	34.1	Very low	44.3	Very low	59 Å²	59	99.2 Å²	99.2	61%	0.608	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.5	21.1	177.5	0	0	0	0	0	114.1	A432 N433 F434 P438	A432-G436 PolarHBondContact O-N 2.93Å; N433-G436 PolarHBondContact O-N 3.01Å; F434-G436 PolarHBondContact O-N 3.47Å; G436-P438 WeakPolarHBondContact O-CD 3.2Å
437	V	42.8	Very low	43.7	Very low	87 Å²	87	97 Å²	97	53%	0.527	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-67.6	118.1	175.8	-176.7	0	0	0	0	108.7	A432 I435 Q439	A432-V437 PolarHBondContact O-N 3.1Å; I435-V437 HydrophobicContact CB-CG2 4.37Å; I435-V437 HydrophobicContact CG2-CG2 4.01Å; V437-Q439 PolarHBondContact O-N 2.82Å
438	P	38.5	Very low	43	Very low	97 Å²	97	92.4 Å²	92.4	63%	0.63	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-68.7	128.6	-173.9	26.9	-34	0	0	0	111	G436	G436-P438 WeakPolarHBondContact O-CD 3.2Å
439	Q	44.7	Very low	42.5	Very low	114 Å²	114	99.2 Å²	99.2	53%	0.533	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58.5	146.9	-179.3	-66.6	-178.5	4.6	0	0	111.8	N433 V437 A441 H442	N433-Q439 PolarHBondContact OD1-NE2 3.23Å; V437-Q439 PolarHBondContact O-N 2.82Å; Q439-A441 PolarHBondContact O-N 3.09Å; Q439-H442 PolarHBondContact O-N 3.23Å
440	P	41.1	Very low	42.4	Very low	89 Å²	89	100 Å²	100	58%	0.578	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-13.3	-167.1	21	-33.5	0	0	0	115.4	H442 A443	P440-H442 PolarHBondContact O-N 3.16Å; P440-A443 PolarHBondContact O-N 3.19Å
441	A	39.1	Very low	42.2	Very low	64 Å²	64	99.1 Å²	99.1	53%	0.529	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32	169.9	0	0	0	0	0	113.5	Q439	Q439-A441 PolarHBondContact O-N 3.09Å
442	H	35.5	Very low	41.6	Very low	130 Å²	130	99.7 Å²	99.7	60%	0.602	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-27.6	-177.6	-68.2	-63.5	0	0	0	114.3	Q439 P440 R444 L445	Q439-H442 PolarHBondContact O-N 3.23Å; P440-H442 PolarHBondContact O-N 3.16Å; H442-R444 VanDerWaalsContact C-N 3.26Å; H442-R444 PolarHBondContact O-N 2.03Å; H442-L445 PolarHBondContact O-N 3.42Å
443	A	36.6	Very low	41.6	Very low	74 Å²	74	101.2 Å²	101.2	61%	0.612	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-62.2	-35.9	177	0	0	0	0	0	111.8	P440 L445 A446	P440-A443 PolarHBondContact O-N 3.19Å; A443-L445 PolarHBondContact O-N 3.16Å; A443-A446 PolarHBondContact O-N 2.94Å; A443-A446 VanDerWaalsContact O-N 3.1Å
444	R	36.2	Very low	41.5	Very low	196 Å²	196	102.1 Å²	102.1	74%	0.74	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-57.9	-16.4	177.4	-68.3	-179.9	167.1	177.1	-6.4	114.5	H442	H442-R444 VanDerWaalsContact C-N 3.26Å; H442-R444 PolarHBondContact O-N 2.03Å
445	L	41.4	Very low	41.2	Very low	89 Å²	89	99.9 Å²	99.9	47%	0.466	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-98.4	-9.4	-179.9	-76.9	160.6	0	0	0	114.5	H442 A443 T448 R449	H442-L445 PolarHBondContact O-N 3.42Å; A443-L445 PolarHBondContact O-N 3.16Å; L445-T448 PolarHBondContact O-OG1 2.79Å; L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.28Å
446	A	36.4	Very low	41.1	Very low	52 Å²	52	101.7 Å²	101.7	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-68.4	-53.7	-176.8	0	0	0	0	0	112	A443 T448 R449 I450	A443-A446 PolarHBondContact O-N 2.94Å; A443-A446 VanDerWaalsContact O-N 3.1Å; A446-T448 VanDerWaalsContact C-N 3.33Å; A446-T448 PolarHBondContact O-N 2.83Å; A446-R449 PolarHBondContact O-N 3.26Å; A446-R449 VanDerWaalsContact O-N 3.11Å; A446-I450 PolarHBondContact O-N 3.12Å; A446-I450 VanDerWaalsContact O-N 3.12Å
447	G	37	Very low	41.7	Very low	44 Å²	44	105.1 Å²	105.1	45%	0.454	56%	0.555	S	S	.	*	H	α-helix	trans	-58.6	-41.4	179.3	0	0	0	0	0	113	R449 I450 W451	G447-R449 VanDerWaalsContact C-N 3.32Å; G447-R449 PolarHBondContact O-N 3.14Å; G447-I450 PolarHBondContact O-N 3.29Å; G447-W451 WeakPolarHBondContact O-CB 3.04Å; G447-W451 PolarHBondContact O-N 3.28Å
448	T	39.3	Very low	41.6	Very low	41 Å²	41	103.9 Å²	103.9	25%	0.252	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-31.4	177.4	52.1	0	0	0	0	113.4	L445 A446 N452	L445-T448 PolarHBondContact O-OG1 2.79Å; A446-T448 VanDerWaalsContact C-N 3.33Å; A446-T448 PolarHBondContact O-N 2.83Å; T448-N452 WeakPolarHBondContact O-CB 2.97Å; T448-N452 PolarHBondContact O-N 3.3Å; T448-N452 PolarHBondContact O-ND2 3.49Å
449	R	41.5	Very low	41.6	Very low	187 Å²	187	105.4 Å²	105.4	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-71	-43.3	174.2	-76.6	175.3	176.4	-175.8	-0.3	111.5	L445 A446 G447 N452 S453	L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.28Å; A446-R449 PolarHBondContact O-N 3.26Å; A446-R449 VanDerWaalsContact O-N 3.11Å; G447-R449 VanDerWaalsContact C-N 3.32Å; G447-R449 PolarHBondContact O-N 3.14Å; R449-N452 PolarHBondContact O-N 3.27Å; R449-S453 PolarHBondContact O-N 2.96Å
450	I	48.6	Very low	41.4	Very low	121 Å²	121	103.7 Å²	103.7	62%	0.621	57%	0.57	S	S	*	*	H	α-helix	trans	-61.3	-47.4	175.8	-63.8	168.1	0	0	0	110	A446 G447 N452 S453 F454	A446-I450 PolarHBondContact O-N 3.12Å; A446-I450 VanDerWaalsContact O-N 3.12Å; G447-I450 PolarHBondContact O-N 3.29Å; I450-N452 PolarHBondContact O-N 2.87Å; I450-S453 WeakPolarHBondContact O-CB 3.44Å; I450-S453 PolarHBondContact O-N 3.43Å; I450-S453 VanDerWaalsContact O-N 3.15Å; I450-F454 PolarHBondContact O-N 3.18Å
451	W	45.8	Very low	41.3	Very low	133 Å²	133	104.6 Å²	104.6	50%	0.504	57%	0.57	S	S	.	*	H	α-helix	trans	-65.1	-38.3	-179.5	-161.3	-135.4	0	0	0	113.1	G447 S453 F454 R455	G447-W451 WeakPolarHBondContact O-CB 3.04Å; G447-W451 PolarHBondContact O-N 3.28Å; W451-S453 VanDerWaalsContact C-N 3.35Å; W451-F454 HydrophobicContact CE3-CB 4.21Å; W451-F454 HydrophobicContact CZ3-CD1 4.16Å; W451-F454 HydrophobicContact CZ3-CG 4.45Å; W451-F454 PolarHBondContact O-N 3.5Å; W451-R455 WeakPolarHBondContact O-CG 3.48Å; W451-R455 PolarHBondContact O-N 3.31Å
452	N	42.2	Very low	41.3	Very low	91 Å²	91	105.8 Å²	105.8	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-33.6	173	-77.5	-15.3	0	0	0	112.7	T448 R449 I450 N456	T448-N452 WeakPolarHBondContact O-CB 2.97Å; T448-N452 PolarHBondContact O-N 3.3Å; T448-N452 PolarHBondContact O-ND2 3.49Å; R449-N452 PolarHBondContact O-N 3.27Å; I450-N452 PolarHBondContact O-N 2.87Å; N452-N456 PolarHBondContact O-N 3.48Å
453	S	48.4	Very low	41.3	Very low	71 Å²	71	104.7 Å²	104.7	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-43.4	171.7	-157	0	0	0	0	111.2	R449 I450 W451 R455 N456 L457	R449-S453 PolarHBondContact O-N 2.96Å; I450-S453 WeakPolarHBondContact O-CB 3.44Å; I450-S453 PolarHBondContact O-N 3.43Å; I450-S453 VanDerWaalsContact O-N 3.15Å; W451-S453 VanDerWaalsContact C-N 3.35Å; S453-R455 PolarHBondContact O-N 3.31Å; S453-N456 PolarHBondContact O-N 3.34Å; S453-L457 PolarHBondContact O-N 2.78Å
454	F	44.2	Very low	41	Very low	114 Å²	114	107.9 Å²	107.9	50%	0.5	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-41.7	177.3	-151.2	-90.2	0	0	0	112.5	I450 W451 N456 L457 V458	I450-F454 PolarHBondContact O-N 3.18Å; W451-F454 HydrophobicContact CE3-CB 4.21Å; W451-F454 HydrophobicContact CZ3-CD1 4.16Å; W451-F454 HydrophobicContact CZ3-CG 4.45Å; W451-F454 PolarHBondContact O-N 3.5Å; F454-N456 VanDerWaalsContact C-N 3.26Å; F454-N456 PolarHBondContact O-N 3.08Å; F454-L457 PolarHBondContact O-N 2.89Å; F454-V458 HydrophobicContact CD1-CG2 4.2Å; F454-V458 HydrophobicContact CE1-CG2 4.03Å; F454-V458 PolarHBondContact O-N 3.06Å
455	R	44.8	Very low	40.7	Very low	135 Å²	135	105.9 Å²	105.9	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-31	174.4	-72.4	174.7	-171.8	-146.1	4.9	113.5	W451 S453 L457	W451-R455 WeakPolarHBondContact O-CG 3.48Å; W451-R455 PolarHBondContact O-N 3.31Å; S453-R455 PolarHBondContact O-N 3.31Å; R455-L457 VanDerWaalsContact C-N 3.3Å
456	N	45.5	Very low	40	Very low	147 Å²	147	109.9 Å²	109.9	79%	0.786	59%	0.586	S	S	*	*	H	α-helix	trans	-77.3	-14.6	176.6	-71.4	-15.5	0	0	0	113.3	N452 S453 F454	N452-N456 PolarHBondContact O-N 3.48Å; S453-N456 PolarHBondContact O-N 3.34Å; F454-N456 VanDerWaalsContact C-N 3.26Å; F454-N456 PolarHBondContact O-N 3.08Å
457	L	46.2	Very low	39.9	Very low	131 Å²	131	115.8 Å²	115.8	69%	0.686	60%	0.598	S	S	*	*	H	α-helix	trans	-97	-16.4	-178.8	-71.1	164.8	0	0	0	113.6	S453 F454 R455 P459	S453-L457 PolarHBondContact O-N 2.78Å; F454-L457 PolarHBondContact O-N 2.89Å; R455-L457 VanDerWaalsContact C-N 3.3Å; L457-P459 WeakPolarHBondContact O-CD 3.46Å
458	V	41.8	Very low	39.5	Very low	61 Å²	61	120.3 Å²	120.3	37%	0.37	61%	0.605	S	S	.	*			trans	-118.3	91.9	-173.9	-175.3	0	0	0	0	111.4	F454 G460 L461	F454-V458 HydrophobicContact CD1-CG2 4.2Å; F454-V458 HydrophobicContact CE1-CG2 4.03Å; F454-V458 PolarHBondContact O-N 3.06Å; V458-G460 PolarHBondContact O-N 3.24Å; V458-L461 HydrophobicContact CB-CD1 4.08Å; V458-L461 HydrophobicContact CG1-CD1 3.94Å; V458-L461 HydrophobicContact CG1-CG 4.28Å
459	P	38	Very low	39.1	Very low	129 Å²	129	125.9 Å²	125.9	84%	0.838	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	122.7	175.4	28.6	-33.4	0	0	0	111.1	L457	L457-P459 WeakPolarHBondContact O-CD 3.46Å
460	G	40.9	Very low	38.7	Very low	79 Å²	79	122.7 Å²	122.7	81%	0.814	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.3	-9.6	172.6	0	0	0	0	0	116.1	V458	V458-G460 PolarHBondContact O-N 3.24Å
461	L	38.3	Very low	38	Very low	108 Å²	108	123 Å²	123	57%	0.565	64%	0.636	S	S	*	*			trans	-69.9	128.1	176.6	-78	161.8	0	0	0	111.6	V458 S463	V458-L461 HydrophobicContact CB-CD1 4.08Å; V458-L461 HydrophobicContact CG1-CD1 3.94Å; V458-L461 HydrophobicContact CG1-CG 4.28Å; L461-S463 PolarHBondContact O-N 3.15Å
462	P	39.9	Very low	37.5	Very low	89 Å²	89	121.9 Å²	121.9	58%	0.578	65%	0.648	S	S	*	*			trans	-67	131.5	175.3	27.8	-33.5	0	0	0	110.4	K464	P462-K464 VanDerWaalsContact C-N 3.33Å; P462-K464 PolarHBondContact O-N 3.2Å
463	S	34.7	Very low	36.9	Very low	106 Å²	106	123 Å²	123	74%	0.741	66%	0.663	S	S	*	*	S	Bend	trans	-81.9	-7	-170.1	57.3	0	0	0	0	115.1	L461	L461-S463 PolarHBondContact O-N 3.15Å
464	K	29.2	Very low	36.1	Very low	142 Å²	142	127.1 Å²	127.1	62%	0.617	68%	0.679	S	S	*	*			trans	-149.3	129	-174.5	-61.6	-179.4	-178.5	179	0	110.8	P462 Y466	P462-K464 VanDerWaalsContact C-N 3.33Å; P462-K464 PolarHBondContact O-N 3.2Å; K464-Y466 HydrophobicContact CB-CE2 4.28Å
465	F	30.3	Very low	35.3	Very low	154 Å²	154	127.3 Å²	127.3	68%	0.675	69%	0.694	S	S	*	*			trans	-95.6	154.8	160.5	-74	-93.3	0	0	0	109.5	Y467	F465-Y467 HydrophobicContact CB-CE2 3.74Å
466	Y	28	Very low	34.7	Very low	173 Å²	173	125.1 Å²	125.1	68%	0.678	70%	0.7	S	S	*	*			trans	-128.6	129.3	178	-59.1	-86.6	0	0	0	109.1	K464	K464-Y466 HydrophobicContact CB-CE2 4.28Å
467	Y	32.9	Very low	33.8	Very low	175 Å²	175	124 Å²	124	69%	0.686	70%	0.703	S	S	*	*			trans	-125	128.9	176.9	-61.9	-83.9	0	0	0	110.1	F465	F465-Y467 HydrophobicContact CB-CE2 3.74Å
468	K	28.6	Very low	33	Very low	139 Å²	139	122.4 Å²	122.4	60%	0.604	70%	0.703	S	S	*	*			trans	-97.6	89.2	173.6	-177.4	-153	-168.6	-161.7	0	107.5	E470	K468-E470 HydrophobicContact CD-CG 4.2Å; K468-E470 WeakPolarHBondContact CE-OE1 3.03Å; K468-E470 HydrophobicContact CG-CG 4.38Å; K468-E470 IonicContact NZ-OE1 3.99Å; K468-E470 PolarHBondContact NZ-OE1 3.1Å; K468-E470 PolarHBondContact O-N 3.33Å
469	L	31.3	Very low	32.4	Very low	159 Å²	159	124.8 Å²	124.8	83%	0.832	72%	0.723	S	S	*	*			trans	-69.9	102.9	170.5	-80.4	87.4	0	0	0	109
470	E	33.3	Very low	32	Very low	119 Å²	119	123.7 Å²	123.7	56%	0.556	72%	0.718	S	S	*	*			trans	-83.4	137.5	157.4	-70.9	-170	161.4	0	0	109.6	K468 S472	K468-E470 HydrophobicContact CD-CG 4.2Å; K468-E470 WeakPolarHBondContact CE-OE1 3.03Å; K468-E470 HydrophobicContact CG-CG 4.38Å; K468-E470 IonicContact NZ-OE1 3.99Å; K468-E470 PolarHBondContact NZ-OE1 3.1Å; K468-E470 PolarHBondContact O-N 3.33Å; E470-S472 VanDerWaalsContact C-N 3.34Å; E470-S472 PolarHBondContact O-N 2.86Å
471	P	34.4	Very low	31.5	Very low	127 Å²	127	125.1 Å²	125.1	83%	0.825	72%	0.716	S	S	*	*			trans	-73.4	91.5	175	30.5	-33.1	0	0	0	109
472	S	34.7	Very low	31.3	Very low	110 Å²	110	126 Å²	126	77%	0.769	73%	0.726	S	S	*	*			trans	-55	139.8	168	47.3	0	0	0	0	109.9	E470 L474	E470-S472 VanDerWaalsContact C-N 3.34Å; E470-S472 PolarHBondContact O-N 2.86Å; S472-L474 PolarHBondContact O-N 3.01Å
473	S	30.4	Very low	30.8	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	74%	0.735	S	S	*	*			trans	-69.8	105.7	-161.2	53.1	0	0	0	0	112.7	S475	S473-S475 PolarHBondContact O-N 3.25Å; S473-S475 VanDerWaalsContact O-N 3.1Å
474	L	31.7	Very low	30.6	Very low	157 Å²	157	129.9 Å²	129.9	82%	0.822	73%	0.732	S	S	*	*			trans	-70.8	103.4	170.1	-137.1	81.2	0	0	0	109.8	S472 S476	S472-L474 PolarHBondContact O-N 3.01Å; L474-S476 VanDerWaalsContact C-N 3.27Å; L474-S476 PolarHBondContact O-N 2.93Å
475	S	26.4	Very low	30.7	Very low	118 Å²	118	132.1 Å²	132.1	83%	0.825	74%	0.742	S	S	*	*			trans	-79.6	70.1	175.5	57.5	0	0	0	0	111.2	S473	S473-S475 PolarHBondContact O-N 3.25Å; S473-S475 VanDerWaalsContact O-N 3.1Å
476	S	31.8	Very low	30.8	Very low	89 Å²	89	131.6 Å²	131.6	62%	0.622	75%	0.746	S	S	*	*			trans	-97.3	93.4	177.9	56.4	0	0	0	0	111.8	L474 S478	L474-S476 VanDerWaalsContact C-N 3.27Å; L474-S476 PolarHBondContact O-N 2.93Å; S476-S478 PolarHBondContact O-N 2.88Å
477	S	27	Very low	31	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	75%	0.751	S	S	*	*			trans	-88	70.5	-177.8	58.7	0	0	0	0	113.7
478	S	29.6	Very low	30.9	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	76%	0.758	S	S	*	*			trans	-167.1	111.8	166.8	41	0	0	0	0	109.5	S476	S476-S478 PolarHBondContact O-N 2.88Å
479	S	28.8	Very low	31	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	77%	0.769	S	S	*	*			cis	106.7	58	49.4	67.9	0	0	0	0	113.6
480	S	30.9	Very low	31	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	77%	0.771	S	S	*	*			trans	-174.9	102.8	150.5	46.4	0	0	0	0	108.3
481	S	29.4	Very low	30.8	Very low	109 Å²	109	141.4 Å²	141.4	76%	0.762	79%	0.788	S	S	*	*				70.4	121.6	70.8	75.6	0	0	0	0	113.8
482	V	35.3	Very low	30.5	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	79%	0.789	S	S	*	*			trans	97.9	88.7	-170.2	-178.1	0	0	0	0	111.7
483	L	29.2	Very low	30.3	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	79%	0.785	S	S	*	*				63.1	131	72.7	-78.5	86.7	0	0	0	114
484	N	28.9	Very low	30.4	Very low	127 Å²	127	146.8 Å²	146.8	68%	0.679	78%	0.781	S	S	*	*			cis	-169.3	122.3	-11.4	-158.8	0.6	0	0	0	109.8
485	K	31.5	Very low	30.3	Very low	189 Å²	189	145.5 Å²	145.5	82%	0.822	77%	0.774	S	S	*	*			trans	178.1	-27.6	152.6	-104.1	156.6	-172.8	178	0	117.9	V487	K485-V487 PolarHBondContact O-N 3.46Å
486	D	32.8	Very low	30.4	Very low	142 Å²	142	149 Å²	149	76%	0.759	77%	0.771	S	S	*	*			trans	-76.5	30.6	-162.4	-57.3	-51.3	0	0	0	117.4	E488	D486-E488 PolarHBondContact O-N 2.87Å
487	V	31.5	Very low	30.2	Very low	128 Å²	128	152.4 Å²	152.4	78%	0.776	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-13.2	-168.4	-177.6	0	0	0	0	113.7	K485	K485-V487 PolarHBondContact O-N 3.46Å
488	E	31.1	Very low	30.5	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	6.2	-172.3	-162.5	150.5	-138.9	0	0	115.4	D486 R490	D486-E488 PolarHBondContact O-N 2.87Å; E488-R490 PolarHBondContact O-N 3.36Å
489	F	30.7	Very low	30.5	Very low	189 Å²	189	155.1 Å²	155.1	83%	0.829	77%	0.768	S	S	*	*			trans	-72.3	66.3	169.2	-89.9	-76.9	0	0	0	112.3	R491	F489-R491 VanDerWaalsContact C-N 3.28Å; F489-R491 PolarHBondContact O-N 2.76Å
490	R	31.5	Very low	30.6	Very low	229 Å²	229	160.1 Å²	160.1	86%	0.864	77%	0.77	S	S	*	*			trans	-67.1	82.9	171.4	-88.9	-167.6	172.5	-154.8	0.7	111.7	E488 K492	E488-R490 PolarHBondContact O-N 3.36Å; R490-K492 PolarHBondContact O-N 2.78Å
491	R	28.9	Very low	30.7	Very low	244 Å²	244	161.2 Å²	161.2	92%	0.921	76%	0.763	S	S	*	*			trans	39.4	74.8	138.4	-57.7	-179.7	-175.5	176.4	-0.3	115.5	F489	F489-R491 VanDerWaalsContact C-N 3.28Å; F489-R491 PolarHBondContact O-N 2.76Å
492	K	29.1	Very low	30.8	Very low	193 Å²	193	164.8 Å²	164.8	84%	0.839	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-103.9	127.2	147.7	-69.8	-171.4	178.5	-178.2	0	108.1	R490 K494	R490-K492 PolarHBondContact O-N 2.78Å; K492-K494 PolarHBondContact O-N 3.12Å
493	P	31	Very low	30.8	Very low	107 Å²	107	165.4 Å²	165.4	70%	0.695	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.3	176.3	26.7	-32.8	0	0	0	109.4	L495	P493-L495 PolarHBondContact O-N 2.83Å
494	K	32	Very low	31.2	Very low	165 Å²	165	160.2 Å²	160.2	72%	0.717	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-72.8	119.5	166.8	-76.5	-178.7	176.2	176.7	0	107.7	K492 Y496	K492-K494 PolarHBondContact O-N 3.12Å; K494-Y496 HydrophobicContact CB-CD2 4.19Å; K494-Y496 HydrophobicContact CB-CE2 3.81Å; K494-Y496 HydrophobicContact CD-CE2 4.42Å; K494-Y496 WeakPolarHBondContact O-CD2 3.15Å; K494-Y496 PolarHBondContact O-N 2.93Å
495	L	29	Very low	31.4	Very low	129 Å²	129	158.7 Å²	158.7	68%	0.675	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64.7	118.5	165.4	-79.9	77	0	0	0	107.8	P493	P493-L495 PolarHBondContact O-N 2.83Å
496	Y	29.1	Very low	31.7	Very low	192 Å²	192	156.4 Å²	156.4	75%	0.753	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-93.2	148.4	167.2	-82.2	-93.5	0	0	0	109.8	K494	K494-Y496 HydrophobicContact CB-CD2 4.19Å; K494-Y496 HydrophobicContact CB-CE2 3.81Å; K494-Y496 HydrophobicContact CD-CE2 4.42Å; K494-Y496 WeakPolarHBondContact O-CD2 3.15Å; K494-Y496 PolarHBondContact O-N 2.93Å
497	H	27.9	Very low	31.8	Very low	161 Å²	161	152.7 Å²	152.7	75%	0.745	72%	0.716	S	S	*	*			trans	-109	103.2	171.7	-61.1	-28.2	0	0	0	107.3
498	D	32.4	Very low	32	Very low	116 Å²	116	155.6 Å²	155.6	62%	0.62	71%	0.713	S	S	*	*			trans	-84.6	138.3	168.3	-155.3	-27.9	0	0	0	109.5	R500	D498-R500 VanDerWaalsContact OD1-CG 3.31Å; D498-R500 WeakPolarHBondContact OD1-CG 3.42Å; D498-R500 PolarHBondContact OD1-N 3.32Å; D498-R500 IonicContact OD1-NE 2.6Å; D498-R500 WeakPolarHBondContact OD2-CD 3.24Å; D498-R500 IonicContact OD2-NE 3.99Å; D498-R500 PolarHBondContact OD2-NE 2.8Å
499	H	30.5	Very low	32	Very low	162 Å²	162	155.6 Å²	155.6	75%	0.75	71%	0.707	S	S	*	*			trans	-104.8	11.1	177.8	-89.3	-63.4	0	0	0	112.5	Q501	H499-Q501 PolarHBondContact O-N 3.27Å; H499-Q501 PolarHBondContact O-NE2 3.15Å
500	R	31.3	Very low	32.1	Very low	216 Å²	216	153.9 Å²	153.9	82%	0.815	70%	0.701	S	S	*	*			trans	-46.4	135.2	174.5	-85.3	170.2	-160.4	-110.1	-9.1	112.3	D498	D498-R500 VanDerWaalsContact OD1-CG 3.31Å; D498-R500 WeakPolarHBondContact OD1-CG 3.42Å; D498-R500 PolarHBondContact OD1-N 3.32Å; D498-R500 IonicContact OD1-NE 2.6Å; D498-R500 WeakPolarHBondContact OD2-CD 3.24Å; D498-R500 IonicContact OD2-NE 3.99Å; D498-R500 PolarHBondContact OD2-NE 2.8Å
501	Q	31.7	Very low	32.1	Very low	129 Å²	129	147.8 Å²	147.8	60%	0.603	68%	0.684	S	S	*	*			trans	-117	144.5	-179.5	-71.5	154.3	58.8	0	0	106.9	H499	H499-Q501 PolarHBondContact O-N 3.27Å; H499-Q501 PolarHBondContact O-NE2 3.15Å
502	M	32.7	Very low	32.1	Very low	184 Å²	184	141.3 Å²	141.3	91%	0.906	67%	0.674	S	S	*	*	S	Bend	trans	73.5	137.6	-168.4	-47.7	176.8	69.3	0	0	113.4
503	L	34	Very low	32.1	Very low	140 Å²	140	136.6 Å²	136.6	73%	0.733	67%	0.665	S	S	*	*			trans	-91.2	133.2	163	-76.7	152.7	0	0	0	106.8	D507	L503-D507 WeakPolarHBondContact CA-OD2 3.19Å; L503-D507 HydrophobicContact CD2-CB 3.94Å
504	S	37.3	Very low	31.9	Very low	41 Å²	41	135.5 Å²	135.5	29%	0.287	67%	0.674	S	S	.	*			trans	-75.3	159.4	168.5	-172	0	0	0	0	110.1	E506 D507	S504-E506 PolarHBondContact O-N 2.93Å; S504-E506 PolarHBondContact OG-N 3.47Å; S504-E506 PolarHBondContact OG-OE2 3.31Å; S504-D507 PolarHBondContact N-OD2 3.14Å; S504-D507 PolarHBondContact O-N 2.88Å
505	S	32.9	Very low	31.5	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-60.5	-26.5	162.7	46.6	0	0	0	0	111.4	D507 W508	S505-D507 VanDerWaalsContact C-N 3.31Å; S505-D507 PolarHBondContact O-N 3.04Å; S505-W508 PolarHBondContact O-N 3.45Å
506	E	37.7	Very low	31.5	Very low	142 Å²	142	135.3 Å²	135.3	66%	0.664	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-66.8	-28	175.7	-60.5	155.8	135.1	0	0	112.7	S504 W508 Y509	S504-E506 PolarHBondContact O-N 2.93Å; S504-E506 PolarHBondContact OG-N 3.47Å; S504-E506 PolarHBondContact OG-OE2 3.31Å; E506-W508 PolarHBondContact O-N 3.11Å; E506-Y509 PolarHBondContact O-N 2.91Å
507	D	36.5	Very low	31.4	Very low	64 Å²	64	131.6 Å²	131.6	34%	0.342	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-67.6	-20.2	-178.3	-70.8	-43.6	0	0	0	112.6	L503 S504 S505 Y509 H510 I511	L503-D507 WeakPolarHBondContact CA-OD2 3.19Å; L503-D507 HydrophobicContact CD2-CB 3.94Å; S504-D507 PolarHBondContact N-OD2 3.14Å; S504-D507 PolarHBondContact O-N 2.88Å; S505-D507 VanDerWaalsContact C-N 3.31Å; S505-D507 PolarHBondContact O-N 3.04Å; D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.5Å; D507-H510 CarbonylContact O-C 3.59Å; D507-H510 WeakPolarHBondContact O-CA 3.18Å; D507-H510 PolarHBondContact O-N 2.97Å; D507-I511 PolarHBondContact O-N 3.38Å; D507-I511 VanDerWaalsContact O-N 3.16Å
508	W	34.1	Very low	31.4	Very low	188 Å²	188	129.6 Å²	129.6	71%	0.712	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-65.5	-29.7	176.9	-70.8	80.1	0	0	0	112.6	S505 E506 H510 I511	S505-W508 PolarHBondContact O-N 3.45Å; E506-W508 PolarHBondContact O-N 3.11Å; W508-H510 PolarHBondContact O-N 3.21Å; W508-I511 HydrophobicContact CD2-CD1 4.09Å; W508-I511 HydrophobicContact CE3-CD1 3.79Å; W508-I511 HydrophobicContact CG-CD1 4.45Å; W508-I511 HydrophobicContact CZ3-CD1 4.33Å
509	Y	32.6	Very low	31.3	Very low	183 Å²	183	128 Å²	128	72%	0.718	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.9	-4.2	171.9	-75.1	-87.1	0	0	0	113.4	E506 D507	E506-Y509 PolarHBondContact O-N 2.91Å; D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.5Å
510	H	32.2	Very low	31.3	Very low	153 Å²	153	125.5 Å²	125.5	71%	0.708	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-124.2	8.6	180	-67.2	-20.9	0	0	0	113.6	D507 W508 P512	D507-H510 CarbonylContact O-C 3.59Å; D507-H510 WeakPolarHBondContact O-CA 3.18Å; D507-H510 PolarHBondContact O-N 2.97Å; W508-H510 PolarHBondContact O-N 3.21Å; H510-P512 VanDerWaalsContact O-CD 3.32Å; H510-P512 WeakPolarHBondContact O-CD 3.16Å
511	I	31.8	Very low	31.4	Very low	100 Å²	100	124.5 Å²	124.5	51%	0.513	65%	0.645	S	S	.	*	S	Bend	trans	-69.1	120.3	159	-60.5	173	0	0	0	106.7	D507 W508 S513	D507-I511 PolarHBondContact O-N 3.38Å; D507-I511 VanDerWaalsContact O-N 3.16Å; W508-I511 HydrophobicContact CD2-CD1 4.09Å; W508-I511 HydrophobicContact CE3-CD1 3.79Å; W508-I511 HydrophobicContact CG-CD1 4.45Å; W508-I511 HydrophobicContact CZ3-CD1 4.33Å; I511-S513 PolarHBondContact O-N 2.74Å; I511-S513 VanDerWaalsContact O-N 3.09Å
512	P	28.7	Very low	31.4	Very low	108 Å²	108	124.5 Å²	124.5	70%	0.701	65%	0.649	S	S	*	*			trans	-66.5	115.2	174.3	-17.7	32	0	0	0	109.2	H510	H510-P512 VanDerWaalsContact O-CD 3.32Å; H510-P512 WeakPolarHBondContact O-CD 3.16Å
513	S	28.5	Very low	31.2	Very low	94 Å²	94	122.2 Å²	122.2	66%	0.657	64%	0.64	S	S	*	*			trans	-44.7	140.6	152.5	-56.3	0	0	0	0	108	I511 Q515	I511-S513 PolarHBondContact O-N 2.74Å; I511-S513 VanDerWaalsContact O-N 3.09Å; S513-Q515 PolarHBondContact O-N 3.16Å
514	G	26.6	Very low	31.1	Very low	84 Å²	84	118.5 Å²	118.5	87%	0.866	62%	0.62	S	S	*	*	S	Bend	trans	-61.6	24.8	-154.7	0	0	0	0	0	120.1	L516	G514-L516 VanDerWaalsContact C-N 3.3Å; G514-L516 PolarHBondContact O-N 2.86Å
515	Q	25.2	Very low	30.7	Very low	141 Å²	141	123.7 Å²	123.7	66%	0.659	65%	0.645	S	S	*	*			trans	-61.1	87.4	164.2	-172.9	164.9	-6.1	0	0	110.3	S513 D517	S513-Q515 PolarHBondContact O-N 3.16Å; Q515-D517 HydrophobicContact CG-CB 4.31Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.44Å; Q515-D517 PolarHBondContact NE2-OD1 3.35Å; Q515-D517 PolarHBondContact NE2-OD2 2.8Å; Q515-D517 PolarHBondContact O-N 3.5Å
516	L	27.1	Very low	30.6	Very low	150 Å²	150	123.2 Å²	123.2	79%	0.785	64%	0.641	S	S	*	*			trans	-62	80.4	145.4	-93.2	161.2	0	0	0	107.9	G514 L518	G514-L516 VanDerWaalsContact C-N 3.3Å; G514-L516 PolarHBondContact O-N 2.86Å; L516-L518 HydrophobicContact CB-CD1 4.48Å; L516-L518 HydrophobicContact CD2-CD1 3.99Å; L516-L518 PolarHBondContact O-N 3.47Å
517	D	27.3	Very low	30.1	Very low	114 Å²	114	125 Å²	125	61%	0.61	65%	0.647	S	S	*	*			trans	-61.6	85.6	151.6	-88.4	-16	0	0	0	106.9	Q515 D519	Q515-D517 HydrophobicContact CG-CB 4.31Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.44Å; Q515-D517 PolarHBondContact NE2-OD1 3.35Å; Q515-D517 PolarHBondContact NE2-OD2 2.8Å; Q515-D517 PolarHBondContact O-N 3.5Å; D517-D519 PolarHBondContact O-N 3.28Å
518	L	29.4	Very low	29.9	Very low	119 Å²	119	125.2 Å²	125.2	62%	0.623	65%	0.651	S	S	*	*			trans	-63.3	83	143.8	-100.5	72.6	0	0	0	106.2	L516 E520	L516-L518 HydrophobicContact CB-CD1 4.48Å; L516-L518 HydrophobicContact CD2-CD1 3.99Å; L516-L518 PolarHBondContact O-N 3.47Å; L518-E520 PolarHBondContact O-N 2.79Å
519	D	29.4	Very low	29.7	Very low	83 Å²	83	121.6 Å²	121.6	44%	0.444	65%	0.646	S	S	.	*			trans	-71.2	56.4	165.4	-168.7	24.4	0	0	0	109.1	D517 K521	D517-D519 PolarHBondContact O-N 3.28Å; D519-K521 PolarHBondContact O-N 3.12Å
520	E	30.7	Very low	29.6	Very low	108 Å²	108	120.2 Å²	120.2	51%	0.505	65%	0.65	S	S	.	*			trans	-76.3	-3.7	179.6	-126.1	-172.1	161	0	0	110.9	L518 L522 I524	L518-E520 PolarHBondContact O-N 2.79Å; E520-L522 PolarHBondContact O-N 3.42Å; E520-I524 HydrophobicContact CB-CD1 3.87Å; E520-I524 HydrophobicContact CB-CG1 4.16Å; E520-I524 HydrophobicContact CG-CD1 3.76Å; E520-I524 HydrophobicContact CG-CG1 3.7Å; E520-I524 WeakPolarHBondContact O-CG1 3.48Å
521	K	33.8	Very low	29.6	Very low	195 Å²	195	119.5 Å²	119.5	85%	0.848	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	8.1	-175.1	-137	173.6	-170.5	172.7	0	114.8	D519	D519-K521 PolarHBondContact O-N 3.12Å
522	L	31.7	Very low	29.6	Very low	130 Å²	130	118.2 Å²	118.2	68%	0.681	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143	14.9	-169.4	-104.3	152	0	0	0	114.9	E520	E520-L522 PolarHBondContact O-N 3.42Å
523	N	27.8	Very low	29.8	Very low	136 Å²	136	120.7 Å²	120.7	73%	0.727	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.3	-10.1	168.6	-102	-47	0	0	0	117.8	D525 S526	N523-D525 PolarHBondContact O-N 2.79Å; N523-S526 PolarHBondContact O-OG 3.36Å; N523-S526 VanDerWaalsContact O-OG 3.09Å
524	I	31.4	Very low	29.9	Very low	61 Å²	61	125.4 Å²	125.4	31%	0.313	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-72.3	-6.1	178.1	-26.9	156.9	0	0	0	113	E520 S526 F527 T528	E520-I524 HydrophobicContact CB-CD1 3.87Å; E520-I524 HydrophobicContact CB-CG1 4.16Å; E520-I524 HydrophobicContact CG-CD1 3.76Å; E520-I524 HydrophobicContact CG-CG1 3.7Å; E520-I524 WeakPolarHBondContact O-CG1 3.48Å; I524-S526 PolarHBondContact O-N 3.22Å; I524-F527 HydrophobicContact CG2-CB 4.29Å; I524-F527 PolarHBondContact O-N 2.92Å; I524-T528 HydrophobicContact CB-CG2 4.04Å; I524-T528 HydrophobicContact CG2-CG2 3.66Å; I524-T528 PolarHBondContact O-N 2.82Å; I524-T528 PolarHBondContact O-OG1 2.91Å
525	D	28.7	Very low	30	Very low	151 Å²	151	130.7 Å²	130.7	81%	0.807	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-58.4	-1.9	171.1	-66.8	-14.2	0	0	0	114	N523	N523-D525 PolarHBondContact O-N 2.79Å
526	S	30.8	Very low	30.2	Very low	84 Å²	84	129.6 Å²	129.6	59%	0.587	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-113.7	-1.2	173.9	61.9	0	0	0	0	114.9	N523 I524	N523-S526 PolarHBondContact O-OG 3.36Å; N523-S526 VanDerWaalsContact O-OG 3.09Å; I524-S526 PolarHBondContact O-N 3.22Å
527	F	28.8	Very low	30.2	Very low	178 Å²	178	132.3 Å²	132.3	78%	0.781	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	-7.1	-177.3	-98.3	-86.1	0	0	0	115.9	I524 D529	I524-F527 HydrophobicContact CG2-CB 4.29Å; I524-F527 PolarHBondContact O-N 2.92Å; F527-D529 PolarHBondContact O-N 3.33Å
528	T	31.4	Very low	30.2	Very low	69 Å²	69	131.1 Å²	131.1	42%	0.423	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-69	-19.8	170.5	44.6	0	0	0	0	113.6	I524 L530 N531	I524-T528 HydrophobicContact CB-CG2 4.04Å; I524-T528 HydrophobicContact CG2-CG2 3.66Å; I524-T528 PolarHBondContact O-N 2.82Å; I524-T528 PolarHBondContact O-OG1 2.91Å; T528-L530 PolarHBondContact O-N 2.64Å; T528-N531 PolarHBondContact O-N 3.03Å; T528-N531 VanDerWaalsContact O-N 3.13Å
529	D	31	Very low	30.3	Very low	113 Å²	113	130.1 Å²	130.1	60%	0.604	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.5	10.2	-165.1	-131.8	5.8	0	0	0	115.9	F527 T532	F527-D529 PolarHBondContact O-N 3.33Å; D529-T532 PolarHBondContact O-OG1 2.91Å; D529-T532 PolarHBondContact OD1-OG1 2.95Å; D529-T532 VanDerWaalsContact OD1-OG1 3.1Å
530	L	30.5	Very low	30.4	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-100.7	-19.3	167.9	-99.9	74.4	0	0	0	113.8	T528	T528-L530 PolarHBondContact O-N 2.64Å
531	N	31.1	Very low	30.3	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-9.7	177.4	-79.3	-21.8	0	0	0	113	T528 Q533	T528-N531 PolarHBondContact O-N 3.03Å; T528-N531 VanDerWaalsContact O-N 3.13Å; N531-Q533 VanDerWaalsContact C-N 3.31Å; N531-Q533 PolarHBondContact O-N 3.34Å
532	T	32.5	Very low	30	Very low	73 Å²	73	132.8 Å²	132.8	45%	0.448	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-9.1	-178.3	45.9	0	0	0	0	114.3	D529	D529-T532 PolarHBondContact O-OG1 2.91Å; D529-T532 PolarHBondContact OD1-OG1 2.95Å; D529-T532 VanDerWaalsContact OD1-OG1 3.1Å
533	Q	32.7	Very low	29.9	Very low	160 Å²	160	135.5 Å²	135.5	75%	0.748	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-2.2	-175.2	-64.3	-168.1	4.2	0	0	115.9	N531	N531-Q533 VanDerWaalsContact C-N 3.31Å; N531-Q533 PolarHBondContact O-N 3.34Å
534	F	29.6	Very low	29.9	Very low	193 Å²	193	139.7 Å²	139.7	85%	0.846	71%	0.71	S	S	*	*	S	Bend	trans	-122.3	7.7	-175.9	-86.8	-78.7	0	0	0	116.1
535	Y	28.8	Very low	29.8	Very low	195 Å²	195	144.3 Å²	144.3	77%	0.765	74%	0.736	S	S	*	*	S	Bend	trans	-110.1	133.5	172	-82.5	-85.9	0	0	0	111.9	Y537	Y535-Y537 PolarHBondContact O-N 3.14Å
536	P	30.3	Very low	29.8	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	73%	0.732	S	S	*	*			trans	-65.8	131.5	170.9	28.1	-33	0	0	0	110	A538	P536-A538 PolarHBondContact O-N 2.73Å
537	Y	25.7	Very low	29.8	Very low	207 Å²	207	144 Å²	144	81%	0.812	74%	0.744	S	S	*	*			trans	-60.2	124.9	-172.7	-112.1	-123.4	0	0	0	113.1	Y535 T539	Y535-Y537 PolarHBondContact O-N 3.14Å; Y537-T539 HydrophobicContact CD1-CG2 3.56Å; Y537-T539 HydrophobicContact CE1-CG2 3.63Å
538	A	29.2	Very low	29.8	Very low	89 Å²	89	141.5 Å²	141.5	74%	0.736	75%	0.746	S	S	*	*			trans	-137.3	72.2	169.2	0	0	0	0	0	109.8	P536 T540	P536-A538 PolarHBondContact O-N 2.73Å; A538-T540 PolarHBondContact O-N 3.27Å; A538-T540 VanDerWaalsContact O-N 3.07Å
539	T	31.2	Very low	29.8	Very low	98 Å²	98	142.8 Å²	142.8	60%	0.601	76%	0.757	S	S	*	*			trans	-71.9	97.6	-175.3	47.5	0	0	0	0	112.6	Y537 V541	Y537-T539 HydrophobicContact CD1-CG2 3.56Å; Y537-T539 HydrophobicContact CE1-CG2 3.63Å; T539-V541 PolarHBondContact O-N 2.93Å
540	T	30.5	Very low	29.7	Very low	133 Å²	133	144.8 Å²	144.8	82%	0.816	77%	0.767	S	S	*	*			trans	-76	67.7	173	42.8	0	0	0	0	112.2	A538 M542	A538-T540 PolarHBondContact O-N 3.27Å; A538-T540 VanDerWaalsContact O-N 3.07Å; T540-M542 PolarHBondContact O-N 2.99Å
541	V	29.2	Very low	29.7	Very low	121 Å²	121	143.9 Å²	143.9	73%	0.733	76%	0.761	S	S	*	*			trans	-64	105.2	173.5	179.2	0	0	0	0	109.6	T539 K543	T539-V541 PolarHBondContact O-N 2.93Å; V541-K543 PolarHBondContact O-N 2.74Å
542	M	26.8	Very low	29.6	Very low	188 Å²	188	143.3 Å²	143.3	93%	0.926	76%	0.758	S	S	*	*			trans	-66.8	103.4	178.2	-69.1	-171.1	77.9	0	0	111.3	T540	T540-M542 PolarHBondContact O-N 2.99Å
543	K	29.6	Very low	29.4	Very low	188 Å²	188	145.3 Å²	145.3	82%	0.817	78%	0.775	S	S	*	*			trans	-143.8	82.5	169.2	-133.7	176.5	-172.2	179.1	0	114.3	V541	V541-K543 PolarHBondContact O-N 2.74Å
544	R	27.9	Very low	29.4	Very low	224 Å²	224	143.4 Å²	143.4	85%	0.845	77%	0.77	S	S	*	*			trans	31.9	102.9	136.2	-159.7	177.2	-158.2	160.8	4.9	117.4
545	N	29	Very low	29.4	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	76%	0.759	S	S	*	*			trans	70.1	120.6	157.9	-54.3	10.3	0	0	0	118.1
546	G	28.5	Very low	29.5	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	77%	0.765	S	S	*	*			trans	125.5	100	151.5	0	0	0	0	0	116.7
547	N	32.1	Very low	29.8	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	77%	0.769	S	S	*	*			trans	54.8	135.3	161.2	-63.2	-4.5	0	0	0	120	S549	N547-S549 PolarHBondContact O-N 3.17Å
548	P	29.5	Very low	30.5	Very low	127 Å²	127	138 Å²	138	83%	0.825	75%	0.753	S	S	*	*			trans	-74.6	116.7	170.2	31.3	-31.9	0	0	0	110.2
549	S	30.9	Very low	31.5	Very low	95 Å²	95	137 Å²	137	66%	0.664	74%	0.738	S	S	*	*			trans	-79.6	128.1	163.1	40.9	0	0	0	0	109.1	N547 I551	N547-S549 PolarHBondContact O-N 3.17Å; S549-I551 PolarHBondContact O-N 3.22Å
550	I	29.1	Very low	32.4	Very low	156 Å²	156	137.7 Å²	137.7	80%	0.8	74%	0.737	S	S	*	*			trans	-70.5	113.5	168.3	-61.1	167	0	0	0	106.2
551	I	30.5	Very low	33.3	Very low	134 Å²	134	135.8 Å²	135.8	69%	0.687	73%	0.726	S	S	*	*			trans	-116.6	102.6	176.5	-62.1	176.8	0	0	0	107.4	S549 S553	S549-I551 PolarHBondContact O-N 3.22Å; I551-S553 PolarHBondContact O-N 2.88Å
552	D	28.1	Very low	34.6	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	71%	0.713	S	S	*	*			trans	-67.2	97.7	175.1	-67.3	-49.3	0	0	0	110.3	N554	D552-N554 PolarHBondContact O-N 2.93Å
553	S	28.7	Very low	36.2	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	69%	0.687	S	S	*	*			trans	-75.3	69.4	173.3	53.6	0	0	0	0	111.1	I551 S555	I551-S553 PolarHBondContact O-N 2.88Å; S553-S555 VanDerWaalsContact C-N 3.32Å; S553-S555 PolarHBondContact O-N 3.46Å
554	N	32.8	Very low	37.5	Very low	120 Å²	120	124.1 Å²	124.1	64%	0.642	66%	0.664	S	S	*	*			trans	-63.1	85.9	178.2	-85.3	-46.2	0	0	0	112.6	D552 Y556	D552-N554 PolarHBondContact O-N 2.93Å; N554-Y556 PolarHBondContact O-N 3.47Å
555	S	29.6	Very low	39.1	Very low	88 Å²	88	118.7 Å²	118.7	62%	0.615	65%	0.651	S	S	*	*				27.7	87.3	126.2	49.9	0	0	0	0	117.8	S553	S553-S555 VanDerWaalsContact C-N 3.32Å; S553-S555 PolarHBondContact O-N 3.46Å
556	Y	31.1	Very low	40.9	Very low	225 Å²	225	115.6 Å²	115.6	88%	0.882	63%	0.634	S	S	*	*			trans	-109.9	50.6	147.3	-71.1	-70	0	0	0	111.3	N554 L558	N554-Y556 PolarHBondContact O-N 3.47Å; Y556-L558 PolarHBondContact O-N 2.87Å
557	F	36	Very low	42.6	Very low	194 Å²	194	117.1 Å²	117.1	85%	0.851	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-65.8	119.7	160.6	-104.2	-89	0	0	0	108.1	T559	F557-T559 PolarHBondContact O-N 3.42Å; F557-T559 VanDerWaalsContact O-N 3.17Å
558	L	40.7	Very low	44	Very low	91 Å²	91	113 Å²	113	48%	0.476	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-58.1	124.7	171.9	-87.3	77.6	0	0	0	108.5	Y556 Q562 V563 L566	Y556-L558 PolarHBondContact O-N 2.87Å; L558-Q562 VanDerWaalsContact CA-OE1 3.32Å; L558-Q562 HydrophobicContact CB-CB 4.12Å; L558-Q562 HydrophobicContact CD2-CB 4.21Å; L558-Q562 HydrophobicContact CG-CB 4.19Å; L558-V563 HydrophobicContact CB-CG2 3.64Å; L558-V563 HydrophobicContact CD2-CG2 4.35Å; L558-L566 HydrophobicContact CD2-CD1 3.99Å
559	T	48.9	Very low	45.9	Very low	68 Å²	68	112.1 Å²	112.1	42%	0.417	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-60.8	154.7	175.2	60.9	0	0	0	0	109.9	F557 T561 Q562 V563	F557-T559 PolarHBondContact O-N 3.42Å; F557-T559 VanDerWaalsContact O-N 3.17Å; T559-T561 PolarHBondContact O-N 2.91Å; T559-T561 PolarHBondContact OG1-OG1 3.37Å; T559-Q562 VanDerWaalsContact N-OE1 3.09Å; T559-Q562 WeakPolarHBondContact O-CA 3.44Å; T559-Q562 WeakPolarHBondContact O-CB 3.26Å; T559-Q562 PolarHBondContact O-N 2.9Å; T559-Q562 VanDerWaalsContact OG1-CG 3.3Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.35Å; T559-Q562 PolarHBondContact OG1-N 3.28Å; T559-V563 PolarHBondContact O-N 3.43Å
560	L	50.7	Low	47.7	Very low	114 Å²	114	111.7 Å²	111.7	60%	0.597	58%	0.58	S	S	*	*	H	α-helix	trans	-55.4	-29.5	177.7	-170.5	65.8	0	0	0	112	R564	L560-R564 WeakPolarHBondContact O-CB 3.25Å; L560-R564 WeakPolarHBondContact O-CD 3.4Å; L560-R564 WeakPolarHBondContact O-CG 3.48Å; L560-R564 PolarHBondContact O-N 2.93Å; L560-R564 VanDerWaalsContact O-N 3.07Å
561	T	50.4	Low	49.4	Very low	93 Å²	93	106.1 Å²	106.1	57%	0.571	55%	0.552	S	S	*	*	H	α-helix	trans	-69.4	-42.9	171.7	49	0	0	0	0	113	T559 R564 L565	T559-T561 PolarHBondContact O-N 2.91Å; T559-T561 PolarHBondContact OG1-OG1 3.37Å; T561-R564 PolarHBondContact O-N 3.44Å; T561-L565 WeakPolarHBondContact O-CB 3.27Å; T561-L565 PolarHBondContact O-N 3.44Å
562	Q	55.6	Low	50.9	Low	100 Å²	100	102.1 Å²	102.1	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-43	174.4	-73.6	168.2	-11.1	0	0	112.3	L558 T559 R564 L565 L566	L558-Q562 VanDerWaalsContact CA-OE1 3.32Å; L558-Q562 HydrophobicContact CB-CB 4.12Å; L558-Q562 HydrophobicContact CD2-CB 4.21Å; L558-Q562 HydrophobicContact CG-CB 4.19Å; T559-Q562 VanDerWaalsContact N-OE1 3.09Å; T559-Q562 WeakPolarHBondContact O-CA 3.44Å; T559-Q562 WeakPolarHBondContact O-CB 3.26Å; T559-Q562 PolarHBondContact O-N 2.9Å; T559-Q562 VanDerWaalsContact OG1-CG 3.3Å; T559-Q562 WeakPolarHBondContact OG1-CG 3.35Å; T559-Q562 PolarHBondContact OG1-N 3.28Å; Q562-R564 VanDerWaalsContact C-N 3.33Å; Q562-R564 PolarHBondContact O-N 2.85Å; Q562-L565 PolarHBondContact O-N 2.88Å; Q562-L566 WeakPolarHBondContact O-CB 3.35Å; Q562-L566 PolarHBondContact O-N 3.34Å
563	V	60.3	Low	52.9	Low	62 Å²	62	100.7 Å²	100.7	38%	0.376	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-43.5	174.9	-179.3	0	0	0	0	110.7	L558 T559 L566 L567	L558-V563 HydrophobicContact CB-CG2 3.64Å; L558-V563 HydrophobicContact CD2-CG2 4.35Å; T559-V563 PolarHBondContact O-N 3.43Å; V563-L566 PolarHBondContact O-N 2.9Å; V563-L567 HydrophobicContact CG1-CD1 4.22Å; V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 WeakPolarHBondContact O-CG 3.44Å; V563-L567 PolarHBondContact O-N 3.4Å
564	R	57	Low	54.6	Low	90 Å²	90	97.8 Å²	97.8	34%	0.34	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-39.4	174.9	-75.5	168.4	176.9	173.3	-3.8	112.5	F131 S134 L560 T561 Q562 L567 L568	F131-R564 HydrophobicContact CE2-CB 4.37Å; S134-R564 VanDerWaalsContact OG-CZ 3.27Å; S134-R564 PolarHBondContact OG-NH1 2.86Å; S134-R564 PolarHBondContact OG-NH2 3.37Å; L560-R564 WeakPolarHBondContact O-CB 3.25Å; L560-R564 WeakPolarHBondContact O-CD 3.4Å; L560-R564 WeakPolarHBondContact O-CG 3.48Å; L560-R564 PolarHBondContact O-N 2.93Å; L560-R564 VanDerWaalsContact O-N 3.07Å; T561-R564 PolarHBondContact O-N 3.44Å; Q562-R564 VanDerWaalsContact C-N 3.33Å; Q562-R564 PolarHBondContact O-N 2.85Å; R564-L567 PolarHBondContact O-N 2.8Å; R564-L568 WeakPolarHBondContact O-CB 3.49Å; R564-L568 PolarHBondContact O-N 3.2Å
565	L	61.6	Low	56.1	Low	110 Å²	110	94.8 Å²	94.8	58%	0.576	49%	0.488	S	S	*	.	H	α-helix	trans	-65.3	-41.3	175.6	-118.4	167.7	0	0	0	112	T561 Q562 L568 L569	T561-L565 WeakPolarHBondContact O-CB 3.27Å; T561-L565 PolarHBondContact O-N 3.44Å; Q562-L565 PolarHBondContact O-N 2.88Å; L565-L568 WeakPolarHBondContact O-CB 3.37Å; L565-L568 PolarHBondContact O-N 3.4Å; L565-L569 WeakPolarHBondContact O-CB 3.49Å; L565-L569 PolarHBondContact O-N 3.47Å
566	L	66.3	Low	57.7	Low	93 Å²	93	96.9 Å²	96.9	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-67.3	-39.5	177.6	-162.9	155.9	0	0	0	111.1	L558 Q562 V563 L569 L570	L558-L566 HydrophobicContact CD2-CD1 3.99Å; Q562-L566 WeakPolarHBondContact O-CB 3.35Å; Q562-L566 PolarHBondContact O-N 3.34Å; V563-L566 PolarHBondContact O-N 2.9Å; L566-L569 PolarHBondContact O-N 3.08Å; L566-L570 VanDerWaalsContact O-CB 3.26Å; L566-L570 WeakPolarHBondContact O-CB 3.42Å; L566-L570 PolarHBondContact O-N 2.83Å
567	L	64.9	Low	59.5	Low	102 Å²	102	88.9 Å²	88.9	53%	0.534	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-39.1	170.1	-73.6	169.4	0	0	0	112.6	V563 R564 L570 D571	V563-L567 HydrophobicContact CG1-CD1 4.22Å; V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 WeakPolarHBondContact O-CG 3.44Å; V563-L567 PolarHBondContact O-N 3.4Å; R564-L567 PolarHBondContact O-N 2.8Å; L567-L570 PolarHBondContact O-N 3.18Å; L567-D571 PolarHBondContact O-N 2.83Å
568	L	61	Low	60.8	Low	71 Å²	71	87.1 Å²	87.1	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.1	-127.8	173.9	0	0	0	111.7	F131 R564 L565 A572	F131-L568 HydrophobicContact CD1-CD1 4.49Å; F131-L568 HydrophobicContact CD2-CD1 3.83Å; F131-L568 HydrophobicContact CE1-CD1 4.28Å; F131-L568 HydrophobicContact CE2-CD1 3.59Å; F131-L568 HydrophobicContact CG-CD1 4.28Å; F131-L568 HydrophobicContact CZ-CD1 3.83Å; R564-L568 WeakPolarHBondContact O-CB 3.49Å; R564-L568 PolarHBondContact O-N 3.2Å; L565-L568 WeakPolarHBondContact O-CB 3.37Å; L565-L568 PolarHBondContact O-N 3.4Å; L568-A572 VanDerWaalsContact O-CB 3.28Å; L568-A572 WeakPolarHBondContact O-CB 3.37Å; L568-A572 PolarHBondContact O-N 3.27Å
569	L	69.3	Low	61.6	Low	108 Å²	108	86.3 Å²	86.3	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-65.2	-39.6	174.1	-178.6	131.6	0	0	0	111.5	L565 L566 A572 I573	L565-L569 WeakPolarHBondContact O-CB 3.49Å; L565-L569 PolarHBondContact O-N 3.47Å; L566-L569 PolarHBondContact O-N 3.08Å; L569-A572 PolarHBondContact O-N 3.17Å; L569-I573 HydrophobicContact CD2-CD1 3.65Å; L569-I573 HydrophobicContact CG-CD1 4.19Å; L569-I573 WeakPolarHBondContact O-CD1 3.45Å; L569-I573 VanDerWaalsContact O-CG1 3.25Å; L569-I573 WeakPolarHBondContact O-CG1 3.1Å; L569-I573 PolarHBondContact O-N 3.27Å
570	L	69.5	Low	62.4	Low	85 Å²	85	89.5 Å²	89.5	45%	0.445	47%	0.466	S	S	.	.	H	α-helix	trans	-69	-40.6	177.2	-171.7	144.6	0	0	0	112.1	L566 L567 I573 I574	L566-L570 VanDerWaalsContact O-CB 3.26Å; L566-L570 WeakPolarHBondContact O-CB 3.42Å; L566-L570 PolarHBondContact O-N 2.83Å; L567-L570 PolarHBondContact O-N 3.18Å; L570-I573 PolarHBondContact O-N 3.22Å; L570-I574 HydrophobicContact CD2-CD1 3.62Å; L570-I574 HydrophobicContact CD2-CG1 4.4Å; L570-I574 WeakPolarHBondContact O-CG1 3.26Å; L570-I574 PolarHBondContact O-N 3.18Å
571	D	64.5	Low	63.1	Low	39 Å²	39	91.2 Å²	91.2	21%	0.209	47%	0.469	C	S	.	.	H	α-helix	trans	-69.8	-35.6	174	-161.8	40	0	0	0	111.5	L567 I573 I574 I575	L567-D571 PolarHBondContact O-N 2.83Å; D571-I573 VanDerWaalsContact C-N 3.33Å; D571-I573 PolarHBondContact O-N 2.71Å; D571-I574 CarbonylContact O-C 3.56Å; D571-I574 PolarHBondContact O-N 2.97Å; D571-I575 WeakPolarHBondContact O-CB 3.35Å; D571-I575 VanDerWaalsContact O-CG1 3.29Å; D571-I575 WeakPolarHBondContact O-CG1 3.23Å; D571-I575 PolarHBondContact O-N 2.75Å
572	A	62.2	Low	63.5	Low	51 Å²	51	88.9 Å²	88.9	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-39.7	169.7	0	0	0	0	0	112.2	L568 L569 I575 L576	L568-A572 VanDerWaalsContact O-CB 3.28Å; L568-A572 WeakPolarHBondContact O-CB 3.37Å; L568-A572 PolarHBondContact O-N 3.27Å; L569-A572 PolarHBondContact O-N 3.17Å; A572-I575 PolarHBondContact O-N 2.76Å; A572-L576 VanDerWaalsContact O-CB 3.32Å; A572-L576 WeakPolarHBondContact O-CB 3.15Å; A572-L576 PolarHBondContact O-N 2.86Å
573	I	69.2	Low	63.6	Low	95 Å²	95	89.3 Å²	89.3	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-67.9	-36.9	173.1	-71.1	163.9	0	0	0	111.4	L569 L570 D571 L576 S577	L569-I573 HydrophobicContact CD2-CD1 3.65Å; L569-I573 HydrophobicContact CG-CD1 4.19Å; L569-I573 WeakPolarHBondContact O-CD1 3.45Å; L569-I573 VanDerWaalsContact O-CG1 3.25Å; L569-I573 WeakPolarHBondContact O-CG1 3.1Å; L569-I573 PolarHBondContact O-N 3.27Å; L570-I573 PolarHBondContact O-N 3.22Å; D571-I573 VanDerWaalsContact C-N 3.33Å; D571-I573 PolarHBondContact O-N 2.71Å; I573-L576 PolarHBondContact O-N 2.83Å; I573-S577 VanDerWaalsContact O-CB 3.26Å; I573-S577 WeakPolarHBondContact O-CB 3.19Å; I573-S577 PolarHBondContact O-N 3.44Å; I573-S577 PolarHBondContact O-OG 2.94Å
574	I	66.2	Low	63.6	Low	55 Å²	55	90.8 Å²	90.8	28%	0.282	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-42.4	172.9	-72.6	170.8	0	0	0	110.9	L570 D571 S577 R578	L570-I574 HydrophobicContact CD2-CD1 3.62Å; L570-I574 HydrophobicContact CD2-CG1 4.4Å; L570-I574 WeakPolarHBondContact O-CG1 3.26Å; L570-I574 PolarHBondContact O-N 3.18Å; D571-I574 CarbonylContact O-C 3.56Å; D571-I574 PolarHBondContact O-N 2.97Å; I574-S577 WeakPolarHBondContact CA-OG 3.19Å; I574-S577 PolarHBondContact O-OG 3.07Å; I574-R578 HydrophobicContact CG2-CG 4.49Å; I574-R578 VanDerWaalsContact O-CB 3.23Å; I574-R578 WeakPolarHBondContact O-CB 3.27Å; I574-R578 WeakPolarHBondContact O-CD 3.41Å; I574-R578 WeakPolarHBondContact O-CG 3.34Å; I574-R578 PolarHBondContact O-N 2.86Å
575	I	62.7	Low	63.6	Low	56 Å²	56	92.3 Å²	92.3	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-47.5	175.4	-68.8	163.2	0	0	0	110.1	T124 D571 A572 S577 R578 C579	T124-I575 HydrophobicContact CG2-CD1 3.7Å; D571-I575 WeakPolarHBondContact O-CB 3.35Å; D571-I575 VanDerWaalsContact O-CG1 3.29Å; D571-I575 WeakPolarHBondContact O-CG1 3.23Å; D571-I575 PolarHBondContact O-N 2.75Å; A572-I575 PolarHBondContact O-N 2.76Å; I575-S577 PolarHBondContact O-N 3.3Å; I575-R578 PolarHBondContact O-N 2.04Å; I575-C579 WeakPolarHBondContact O-CB 3.3Å; I575-C579 PolarHBondContact O-N 2.93Å
576	L	64.6	Low	63.2	Low	132 Å²	132	90.1 Å²	90.1	69%	0.691	46%	0.455	S	S	*	.	H	α-helix	trans	-62.3	-45.8	-179.9	-160.3	84.3	0	0	0	111.7	A572 I573 C579 F580	A572-L576 VanDerWaalsContact O-CB 3.32Å; A572-L576 WeakPolarHBondContact O-CB 3.15Å; A572-L576 PolarHBondContact O-N 2.86Å; I573-L576 PolarHBondContact O-N 2.83Å; L576-C579 PolarHBondContact O-N 3.46Å; L576-F580 WeakPolarHBondContact O-CB 3.45Å; L576-F580 PolarHBondContact O-N 3.04Å
577	S	67.9	Low	62.7	Low	58 Å²	58	88.4 Å²	88.4	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-69.4	-32.8	178.2	59.5	0	0	0	0	113	I573 I574 I575 K581	I573-S577 VanDerWaalsContact O-CB 3.26Å; I573-S577 WeakPolarHBondContact O-CB 3.19Å; I573-S577 PolarHBondContact O-N 3.44Å; I573-S577 PolarHBondContact O-OG 2.94Å; I574-S577 WeakPolarHBondContact CA-OG 3.19Å; I574-S577 PolarHBondContact O-OG 3.07Å; I575-S577 PolarHBondContact O-N 3.3Å; S577-K581 WeakPolarHBondContact O-CB 3.47Å; S577-K581 WeakPolarHBondContact O-CG 3.4Å; S577-K581 PolarHBondContact O-N 3.03Å
578	R	62.6	Low	62.2	Low	156 Å²	156	86.6 Å²	86.6	59%	0.589	44%	0.435	S	S	*	.	H	α-helix	trans	-67.1	-45.6	170.1	-76.6	171.3	176.3	179.3	1.9	111.5	I574 I575 F580 K581 T582	I574-R578 HydrophobicContact CG2-CG 4.49Å; I574-R578 VanDerWaalsContact O-CB 3.23Å; I574-R578 WeakPolarHBondContact O-CB 3.27Å; I574-R578 WeakPolarHBondContact O-CD 3.41Å; I574-R578 WeakPolarHBondContact O-CG 3.34Å; I574-R578 PolarHBondContact O-N 2.86Å; I575-R578 PolarHBondContact O-N 2.04Å; R578-F580 VanDerWaalsContact C-N 3.35Å; R578-K581 PolarHBondContact O-N 3.21Å; R578-T582 PolarHBondContact O-N 3.47Å; R578-T582 PolarHBondContact O-OG1 3.3Å
579	C	58.7	Low	61.8	Low	74 Å²	74	87.3 Å²	87.3	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-57.9	-46.6	173.2	-82.3	0	0	0	0	111.3	I575 L576 T582 F583	I575-C579 WeakPolarHBondContact O-CB 3.3Å; I575-C579 PolarHBondContact O-N 2.93Å; L576-C579 PolarHBondContact O-N 3.46Å; C579-T582 WeakPolarHBondContact CA-OG1 3.48Å; C579-T582 CarbonylContact O-C 3.6Å; C579-T582 PolarHBondContact O-N 3.22Å; C579-T582 PolarHBondContact O-OG1 3Å; C579-F583 WeakPolarHBondContact O-CB 3.26Å; C579-F583 PolarHBondContact O-N 3.36Å
580	F	66.3	Low	60.8	Low	135 Å²	135	90.7 Å²	90.7	59%	0.592	44%	0.444	S	S	*	.	H	α-helix	trans	-61.9	-45.6	177.8	-162.7	-86	0	0	0	111.6	L576 R578 T582 F583 E584	L576-F580 WeakPolarHBondContact O-CB 3.45Å; L576-F580 PolarHBondContact O-N 3.04Å; R578-F580 VanDerWaalsContact C-N 3.35Å; F580-T582 VanDerWaalsContact C-N 3.35Å; F580-T582 PolarHBondContact O-N 2.96Å; F580-F583 CarbonylContact O-C 3.54Å; F580-F583 WeakPolarHBondContact O-CB 3.49Å; F580-F583 PolarHBondContact O-N 3.37Å; F580-F583 VanDerWaalsContact O-N 3.12Å; F580-E584 WeakPolarHBondContact O-CB 3.29Å; F580-E584 PolarHBondContact O-N 3.38Å
581	K	65.4	Low	59.8	Low	151 Å²	151	93.3 Å²	93.3	66%	0.657	45%	0.452	S	S	*	.	H	α-helix	trans	-63.4	-35.2	173.9	-77.4	-169	173	-169.8	0	113.4	S577 R578 F585	S577-K581 WeakPolarHBondContact O-CB 3.47Å; S577-K581 WeakPolarHBondContact O-CG 3.4Å; S577-K581 PolarHBondContact O-N 3.03Å; R578-K581 PolarHBondContact O-N 3.21Å; K581-F585 WeakPolarHBondContact O-CB 3.25Å; K581-F585 PolarHBondContact O-N 3.48Å
582	T	57.4	Low	58.5	Low	43 Å²	43	92.7 Å²	92.7	26%	0.264	46%	0.455	S	S	.	.	H	α-helix	trans	-71.9	-31.5	171.5	43.6	0	0	0	0	113.1	R578 C579 F580 M586	R578-T582 PolarHBondContact O-N 3.47Å; R578-T582 PolarHBondContact O-OG1 3.3Å; C579-T582 WeakPolarHBondContact CA-OG1 3.48Å; C579-T582 CarbonylContact O-C 3.6Å; C579-T582 PolarHBondContact O-N 3.22Å; C579-T582 PolarHBondContact O-OG1 3Å; F580-T582 VanDerWaalsContact C-N 3.35Å; F580-T582 PolarHBondContact O-N 2.96Å; T582-M586 VanDerWaalsContact O-CB 3.27Å; T582-M586 WeakPolarHBondContact O-CB 3.39Å; T582-M586 WeakPolarHBondContact O-CG 3.45Å; T582-M586 PolarHBondContact O-N 3.46Å
583	F	58.7	Low	57.3	Low	109 Å²	109	95 Å²	95	48%	0.478	46%	0.46	S	S	.	.	H	α-helix	trans	-68.6	-48	173.9	174.1	-95.2	0	0	0	110.9	C579 F580 M586 H587	C579-F583 WeakPolarHBondContact O-CB 3.26Å; C579-F583 PolarHBondContact O-N 3.36Å; F580-F583 CarbonylContact O-C 3.54Å; F580-F583 WeakPolarHBondContact O-CB 3.49Å; F580-F583 PolarHBondContact O-N 3.37Å; F580-F583 VanDerWaalsContact O-N 3.12Å; F583-M586 PolarHBondContact O-N 3.01Å; F583-H587 WeakPolarHBondContact O-CB 3.36Å; F583-H587 PolarHBondContact O-N 3.28Å
584	E	59.1	Low	55.8	Low	93 Å²	93	96.2 Å²	96.2	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-58.8	-45.9	174.2	-175.9	-179	-162.9	0	0	111.5	F580 M586 H587 N588	F580-E584 WeakPolarHBondContact O-CB 3.29Å; F580-E584 PolarHBondContact O-N 3.38Å; E584-M586 PolarHBondContact O-N 3.48Å; E584-H587 PolarHBondContact O-N 3.37Å; E584-N588 WeakPolarHBondContact O-CB 3.36Å; E584-N588 VanDerWaalsContact O-CG 3.22Å; E584-N588 PolarHBondContact O-N 2.97Å; E584-N588 PolarHBondContact O-OD1 3.45Å
585	F	57.1	Low	54.3	Low	122 Å²	122	101.8 Å²	101.8	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-62	-43.7	174.8	-177.4	-107.8	0	0	0	112.6	K581 I589	K581-F585 WeakPolarHBondContact O-CB 3.25Å; K581-F585 PolarHBondContact O-N 3.48Å; F585-I589 HydrophobicContact CD1-CD1 3.72Å; F585-I589 HydrophobicContact CD2-CD1 4.07Å; F585-I589 HydrophobicContact CE1-CD1 3.39Å; F585-I589 HydrophobicContact CE2-CD1 3.76Å; F585-I589 HydrophobicContact CG-CD1 4.06Å; F585-I589 HydrophobicContact CZ-CD1 3.41Å; F585-I589 VanDerWaalsContact CZ-CD1 3.41Å; F585-I589 WeakPolarHBondContact O-CB 3.28Å; F585-I589 WeakPolarHBondContact O-CD1 3.37Å; F585-I589 VanDerWaalsContact O-CG1 3.27Å; F585-I589 WeakPolarHBondContact O-CG1 3.35Å; F585-I589 PolarHBondContact O-N 2.92Å; F585-I589 VanDerWaalsContact O-N 3.08Å
586	M	54.3	Low	52.8	Low	65 Å²	65	106.6 Å²	106.6	32%	0.32	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-39.8	175.1	-76.5	-74	-75.1	0	0	112	L113 T582 F583 E584 I589 W590	L113-M586 HydrophobicContact CD1-CE 4.22Å; L113-M586 HydrophobicContact CD1-SD 3.66Å; T582-M586 VanDerWaalsContact O-CB 3.27Å; T582-M586 WeakPolarHBondContact O-CB 3.39Å; T582-M586 WeakPolarHBondContact O-CG 3.45Å; T582-M586 PolarHBondContact O-N 3.46Å; F583-M586 PolarHBondContact O-N 3.01Å; E584-M586 PolarHBondContact O-N 3.48Å; M586-I589 PolarHBondContact O-N 2.99Å; M586-W590 WeakPolarHBondContact O-CB 3.25Å; M586-W590 VanDerWaalsContact O-CD1 3.26Å; M586-W590 PolarHBondContact O-N 3.25Å
587	H	55.5	Low	51.2	Low	57 Å²	57	107.6 Å²	107.6	26%	0.264	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-50.1	177.3	177.1	-85.3	0	0	0	110.5	F583 E584 I589 W590 F591 G592	F583-H587 WeakPolarHBondContact O-CB 3.36Å; F583-H587 PolarHBondContact O-N 3.28Å; E584-H587 PolarHBondContact O-N 3.37Å; H587-I589 VanDerWaalsContact C-N 3.25Å; H587-I589 PolarHBondContact O-N 3.12Å; H587-W590 PolarHBondContact O-N 3.43Å; H587-F591 AromaticContact CD2-CD2 3.52Å; H587-F591 AromaticContact NE2-CD2 3.98Å; H587-F591 WeakPolarHBondContact O-CB 3.39Å; H587-F591 PolarHBondContact O-N 3.42Å; H587-G592 PolarHBondContact O-N 3.26Å
588	N	54	Low	49.4	Very low	64 Å²	64	110.2 Å²	110.2	34%	0.342	53%	0.528	S	S	.	.	H	α-helix	trans	-73.5	-18.7	-178.1	-58.7	3.3	0	0	0	112	E584 G592 D593	E584-N588 WeakPolarHBondContact O-CB 3.36Å; E584-N588 VanDerWaalsContact O-CG 3.22Å; E584-N588 PolarHBondContact O-N 2.97Å; E584-N588 PolarHBondContact O-OD1 3.45Å; N588-G592 WeakPolarHBondContact O-CA 3.32Å; N588-G592 PolarHBondContact O-N 3.27Å; N588-D593 PolarHBondContact ND2-OD1 3.03Å
589	I	53.5	Low	48.1	Very low	86 Å²	86	105.5 Å²	105.5	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-81	-33.7	168.9	-75.6	165.7	0	0	0	113.2	F585 M586 H587	F585-I589 HydrophobicContact CD1-CD1 3.72Å; F585-I589 HydrophobicContact CD2-CD1 4.07Å; F585-I589 HydrophobicContact CE1-CD1 3.39Å; F585-I589 HydrophobicContact CE2-CD1 3.76Å; F585-I589 HydrophobicContact CG-CD1 4.06Å; F585-I589 HydrophobicContact CZ-CD1 3.41Å; F585-I589 VanDerWaalsContact CZ-CD1 3.41Å; F585-I589 WeakPolarHBondContact O-CB 3.28Å; F585-I589 WeakPolarHBondContact O-CD1 3.37Å; F585-I589 VanDerWaalsContact O-CG1 3.27Å; F585-I589 WeakPolarHBondContact O-CG1 3.35Å; F585-I589 PolarHBondContact O-N 2.92Å; F585-I589 VanDerWaalsContact O-N 3.08Å; M586-I589 PolarHBondContact O-N 2.99Å; H587-I589 VanDerWaalsContact C-N 3.25Å; H587-I589 PolarHBondContact O-N 3.12Å
590	W	48.3	Very low	47.1	Very low	178 Å²	178	107.4 Å²	107.4	67%	0.674	53%	0.527	S	S	*	.	H	α-helix	trans	-97.9	-34.5	-174	-81.7	69.5	0	0	0	114.6	M586 H587	M586-W590 WeakPolarHBondContact O-CB 3.25Å; M586-W590 VanDerWaalsContact O-CD1 3.26Å; M586-W590 PolarHBondContact O-N 3.25Å; H587-W590 PolarHBondContact O-N 3.43Å
591	F	47.8	Very low	45.8	Very low	140 Å²	140	107.8 Å²	107.8	61%	0.614	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-22.2	-179.8	-59.5	-75.6	0	0	0	112.9	H587	H587-F591 AromaticContact CD2-CD2 3.52Å; H587-F591 AromaticContact NE2-CD2 3.98Å; H587-F591 WeakPolarHBondContact O-CB 3.39Å; H587-F591 PolarHBondContact O-N 3.42Å
592	G	36	Very low	44.5	Very low	26 Å²	26	106.3 Å²	106.3	27%	0.268	53%	0.53	S	S	.	.			trans	76.2	175	-173	0	0	0	0	0	113.1	H587 N588 I594	H587-G592 PolarHBondContact O-N 3.26Å; N588-G592 WeakPolarHBondContact O-CA 3.32Å; N588-G592 PolarHBondContact O-N 3.27Å; G592-I594 PolarHBondContact O-N 3.39Å
593	D	37.6	Very low	43.7	Very low	100 Å²	100	109.5 Å²	109.5	54%	0.535	54%	0.544	S	S	.	.			trans	-72.7	91.7	178.4	-73.2	-0.3	0	0	0	110.6	N588 K595	N588-D593 PolarHBondContact ND2-OD1 3.03Å; D593-K595 PolarHBondContact O-N 3.47Å
594	I	38.1	Very low	42.8	Very low	120 Å²	120	110.9 Å²	110.9	62%	0.615	55%	0.551	S	S	*	*			trans	-71.9	77.3	166.2	-52.2	177.7	0	0	0	108.3	G592 L596	G592-I594 PolarHBondContact O-N 3.39Å; I594-L596 HydrophobicContact CG2-CD1 4.46Å; I594-L596 PolarHBondContact O-N 2.86Å
595	K	34.3	Very low	41.9	Very low	172 Å²	172	112.2 Å²	112.2	75%	0.748	56%	0.557	S	S	*	*			trans	-66.3	102.6	170.5	-80.4	-172.2	174.7	-178.5	0	109.6	D593 I597	D593-K595 PolarHBondContact O-N 3.47Å; K595-I597 PolarHBondContact O-N 3.2Å
596	L	32.2	Very low	41.2	Very low	157 Å²	157	111.7 Å²	111.7	82%	0.822	56%	0.559	S	S	*	*			trans	-60.5	106.6	157.9	-106.6	74.4	0	0	0	108	I594 N598	I594-L596 HydrophobicContact CG2-CD1 4.46Å; I594-L596 PolarHBondContact O-N 2.86Å; L596-N598 PolarHBondContact O-N 2.87Å; L596-N598 VanDerWaalsContact O-N 3.08Å
597	I	30.4	Very low	40.5	Very low	154 Å²	154	113.8 Å²	113.8	79%	0.79	57%	0.572	S	S	*	*			trans	-72.9	100.5	169.4	-60.6	175.1	0	0	0	106.8	K595 A599	K595-I597 PolarHBondContact O-N 3.2Å; I597-A599 PolarHBondContact O-N 2.89Å
598	N	29.4	Very low	39.7	Very low	112 Å²	112	117.4 Å²	117.4	60%	0.599	59%	0.593	S	S	*	*			trans	-69.5	101.8	172.4	-176.6	-2.8	0	0	0	108.9	L596 N600 H601	L596-N598 PolarHBondContact O-N 2.87Å; L596-N598 VanDerWaalsContact O-N 3.08Å; N598-N600 PolarHBondContact O-N 3.03Å; N598-N600 WeakPolarHBondContact OD1-CB 3.29Å; N598-N600 PolarHBondContact OD1-N 2.89Å; N598-H601 PolarHBondContact O-N 3.24Å
599	A	36.4	Very low	38.8	Very low	57 Å²	57	120.6 Å²	120.6	47%	0.471	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.4	-22.3	-173.9	0	0	0	0	0	114	I597 H601 L602	I597-A599 PolarHBondContact O-N 2.89Å; A599-H601 PolarHBondContact O-N 3.4Å; A599-L602 WeakPolarHBondContact O-CB 3.5Å; A599-L602 PolarHBondContact O-N 2.92Å
600	N	36.4	Very low	37.7	Very low	114 Å²	114	119.7 Å²	119.7	61%	0.61	61%	0.611	S	S	*	*	H	α-helix	trans	-62.7	-25.6	-176.1	-63	3.1	0	0	0	113.5	N598	N598-N600 PolarHBondContact O-N 3.03Å; N598-N600 WeakPolarHBondContact OD1-CB 3.29Å; N598-N600 PolarHBondContact OD1-N 2.89Å
601	H	40.2	Very low	36.9	Very low	143 Å²	143	120.2 Å²	120.2	66%	0.662	62%	0.621	S	S	*	*	H	α-helix	trans	-75.4	-26.2	176.1	-156.6	-64.3	0	0	0	112.7	N598 A599 E605	N598-H601 PolarHBondContact O-N 3.24Å; A599-H601 PolarHBondContact O-N 3.4Å; H601-E605 IonicContact ND1-OE2 3.11Å
602	L	38.2	Very low	36	Very low	121 Å²	121	119.5 Å²	119.5	63%	0.634	62%	0.623	S	S	*	*	H	α-helix	trans	-71.1	-39	178.4	-148.8	79.3	0	0	0	111.1	A599 H604 E605 I606	A599-L602 WeakPolarHBondContact O-CB 3.5Å; A599-L602 PolarHBondContact O-N 2.92Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 2.93Å; L602-E605 PolarHBondContact O-N 3.07Å; L602-I606 HydrophobicContact CD2-CD1 4.36Å; L602-I606 HydrophobicContact CG-CD1 4.21Å; L602-I606 WeakPolarHBondContact O-CD1 3.17Å; L602-I606 VanDerWaalsContact O-CG1 3.28Å; L602-I606 WeakPolarHBondContact O-CG1 3.36Å; L602-I606 PolarHBondContact O-N 3.45Å; L602-I606 VanDerWaalsContact O-N 3.17Å
603	I	41.1	Very low	35.7	Very low	109 Å²	109	126.3 Å²	126.3	56%	0.559	65%	0.65	S	S	*	*	H	α-helix	trans	-65.7	-37	-176.9	-62.4	171.5	0	0	0	111.4	N607	I603-N607 PolarHBondContact O-N 3.48Å
604	H	39.1	Very low	35.4	Very low	139 Å²	139	128.1 Å²	128.1	64%	0.644	66%	0.658	S	S	*	*	H	α-helix	trans	-77.8	-20.2	-176.3	-143.8	-49.7	0	0	0	113.9	L602	L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 2.93Å
605	E	39.5	Very low	35	Very low	120 Å²	120	129.7 Å²	129.7	56%	0.561	67%	0.667	S	S	*	*	H	α-helix	trans	-92.7	-27	178.6	-163.5	162	-157	0	0	112.1	H601 L602 N609	H601-E605 IonicContact ND1-OE2 3.11Å; L602-E605 PolarHBondContact O-N 3.07Å; E605-N609 PolarHBondContact O-ND2 3Å
606	I	42.8	Very low	34.8	Very low	111 Å²	111	125.3 Å²	125.3	57%	0.569	66%	0.659	S	S	*	*	H	α-helix	trans	-65.2	-40.4	168.9	-71.8	166.5	0	0	0	111.2	L602 N608 N609	L602-I606 HydrophobicContact CD2-CD1 4.36Å; L602-I606 HydrophobicContact CG-CD1 4.21Å; L602-I606 WeakPolarHBondContact O-CD1 3.17Å; L602-I606 VanDerWaalsContact O-CG1 3.28Å; L602-I606 WeakPolarHBondContact O-CG1 3.36Å; L602-I606 PolarHBondContact O-N 3.45Å; L602-I606 VanDerWaalsContact O-N 3.17Å; I606-N608 PolarHBondContact O-N 2.92Å; I606-N609 PolarHBondContact O-N 3.41Å
607	N	39	Very low	34.5	Very low	109 Å²	109	126.6 Å²	126.6	58%	0.583	66%	0.658	S	S	*	*	H	α-helix	trans	-68	-30.3	-175.1	-113.1	18.9	0	0	0	114.4	I603 S610	I603-N607 PolarHBondContact O-N 3.48Å; N607-S610 PolarHBondContact O-OG 2.86Å
608	N	38.6	Very low	34.4	Very low	133 Å²	133	124.9 Å²	124.9	71%	0.711	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-7.7	-178.1	-77.3	2.2	0	0	0	114.1	I606	I606-N608 PolarHBondContact O-N 2.92Å
609	N	34.9	Very low	34.4	Very low	132 Å²	132	126.9 Å²	126.9	71%	0.706	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	24.8	176.2	-70.6	-58.9	0	0	0	112.5	E605 I606	E605-N609 PolarHBondContact O-ND2 3Å; I606-N609 PolarHBondContact O-N 3.41Å
610	S	31.4	Very low	33.9	Very low	66 Å²	66	129.4 Å²	129.4	46%	0.462	67%	0.67	S	S	.	*			trans	-106.8	35.8	-171.4	67.6	0	0	0	0	115.3	N607	N607-S610 PolarHBondContact O-OG 2.86Å
611	Q	32.3	Very low	33.5	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.883	68%	0.676	S	S	*	*			trans	-131.6	101.6	158	-71	-176	-27.3	0	0	106.3
612	I	27.4	Very low	32.9	Very low	126 Å²	126	131.3 Å²	131.3	65%	0.646	68%	0.677	S	S	*	*			cis	65.7	77.1	34.1	-43.1	175.9	0	0	0	112.8
613	M	31.3	Very low	32.5	Very low	169 Å²	169	131.8 Å²	131.8	83%	0.833	68%	0.675	S	S	*	*				176.4	129.7	126.4	-93.4	-178.2	-64.4	0	0	106.9
614	I	29.5	Very low	32	Very low	138 Å²	138	133 Å²	133	71%	0.708	68%	0.679	S	S	*	*			cis	66.3	117.1	48.4	-52.7	168.7	0	0	0	108.7
615	D	31.5	Very low	31.7	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	68%	0.684	S	S	*	*			cis	-142.4	-177.6	20.8	-132.4	-35.3	0	0	0	114
616	S	28.3	Very low	31.3	Very low	81 Å²	81	135 Å²	135	57%	0.566	69%	0.688	S	S	*	*			trans	-110.6	153.4	174.3	64.3	0	0	0	0	113
617	F	26.5	Very low	30.9	Very low	184 Å²	184	134.4 Å²	134.4	81%	0.807	69%	0.691	S	S	*	*			trans	67	153.8	-174.3	-60.3	-94.9	0	0	0	113.5
618	D	28.5	Very low	30.5	Very low	117 Å²	117	135.7 Å²	135.7	63%	0.626	69%	0.693	S	S	*	*			cis	-149.2	172.6	7	-142.9	-21.3	0	0	0	113.7
619	H	28.7	Very low	30	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.718	69%	0.691	S	S	*	*			trans	42.7	115	152.4	-75.1	-50	0	0	0	122.6
620	S	27.3	Very low	29.6	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	69%	0.688	S	S	*	*				92.3	160.5	123.1	84.2	0	0	0	0	122
621	M	27.2	Very low	29.6	Very low	151 Å²	151	139 Å²	139	74%	0.744	70%	0.7	S	S	*	*			trans	63.5	90.6	155.3	-71.2	-66.1	166.3	0	0	121.2
622	H	28	Very low	29.3	Very low	146 Å²	146	137.6 Å²	137.6	68%	0.676	69%	0.693	S	S	*	*				72.1	147.4	114.3	-94.9	-110	0	0	0	122.9
623	H	29.9	Very low	29.4	Very low	131 Å²	131	138.9 Å²	138.9	61%	0.606	70%	0.7	S	S	*	*			trans	67.1	120.7	159.3	-70.8	-56.4	0	0	0	117.8
624	H	29.7	Very low	29.4	Very low	136 Å²	136	139.6 Å²	139.6	63%	0.63	70%	0.701	S	S	*	*				65.4	131.4	94.8	-61.2	10.8	0	0	0	112.5
625	H	34.1	Very low	29.4	Very low	164 Å²	164	136.3 Å²	136.3	76%	0.759	70%	0.701	S	S	*	*			cis	-144.1	172.5	33.2	-91	-73.1	0	0	0	110.2
626	H	30.6	Very low	29.1	Very low	137 Å²	137	135.9 Å²	135.9	63%	0.634	70%	0.699	S	S	*	*			cis	-166	163.5	-28.4	-146.6	41.5	0	0	0	104.1
627	P	34.1	Very low	28.9	Very low	97 Å²	97	141.7 Å²	141.7	63%	0.63	71%	0.71	S	S	*	*			trans	-123	-122.2	-142.8	33.2	-10.9	0	0	0	111.6
628	Q	30.4	Very low	28.8	Very low	136 Å²	136	140.1 Å²	140.1	64%	0.636	71%	0.705	S	S	*	*			trans	77	138.6	157.3	-75.6	169.6	-3.3	0	0	117.5
629	Q	28.3	Very low	28.6	Very low	142 Å²	142	144 Å²	144	66%	0.664	71%	0.712	S	S	*	*			cis	-165	142.3	-14.3	-143	166.6	-6.2	0	0	111.5
630	T	27.7	Very low	28.5	Very low	104 Å²	104	143.4 Å²	143.4	64%	0.638	71%	0.709	S	S	*	*			trans	60.3	168.2	152.6	35.8	0	0	0	0	117.7
631	Q	30	Very low	28.4	Very low	156 Å²	156	141.5 Å²	141.5	73%	0.729	70%	0.696	S	S	*	*			cis	-139.8	161.5	-0.2	-142.6	134.5	11.1	0	0	113.4
632	Q	26.2	Very low	28.3	Very low	158 Å²	158	142.5 Å²	142.5	74%	0.738	70%	0.699	S	S	*	*			trans	-53.4	152.8	174.6	-54.2	135.4	-73.2	0	0	114.3
633	I	30.2	Very low	28.2	Very low	153 Å²	153	141.7 Å²	141.7	79%	0.785	70%	0.699	S	S	*	*			trans	-162.4	130.9	131.7	-102.1	151.4	0	0	0	109.5
634	H	30.4	Very low	28	Very low	184 Å²	184	142.3 Å²	142.3	85%	0.852	70%	0.702	S	S	*	*			trans	27.5	143.8	158.2	-59.6	79.9	0	0	0	122.5
635	G	29.3	Very low	27.8	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	71%	0.706	S	S	*	*			cis	164.7	146.9	-3	0	0	0	0	0	114.8
636	N	26	Very low	27.4	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	71%	0.711	S	S	*	*			trans	-16.1	132.5	167.6	-66.8	2.8	0	0	0	118.4
637	Y	23.1	Very low	27.2	Very low	203 Å²	203	143.7 Å²	143.7	80%	0.796	71%	0.714	S	S	*	*				78.1	128.3	60.8	-81.5	-61	0	0	0	115.5
638	H	24.9	Very low	26.9	Very low	151 Å²	151	143.6 Å²	143.6	70%	0.699	71%	0.713	S	S	*	*			trans	59.2	141.8	165.7	-73.8	-96.9	0	0	0	116.2
639	Y	25.3	Very low	26.6	Very low	198 Å²	198	147 Å²	147	78%	0.776	72%	0.72	S	S	*	*				-136.1	152.8	50.8	-93	-115.2	0	0	0	110.5
640	Q	26.2	Very low	26.4	Very low	142 Å²	142	149.7 Å²	149.7	66%	0.664	73%	0.732	S	S	*	*				59.5	137.8	65.6	-117.2	-173.9	-84.3	0	0	112.5
641	S	24.6	Very low	26.3	Very low	70 Å²	70	151.6 Å²	151.6	49%	0.49	74%	0.737	S	S	.	*			cis	-161.4	165.1	14.3	-29.3	0	0	0	0	111.3
642	Q	25.5	Very low	25.9	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.804	74%	0.741	S	S	*	*			trans	65.2	171.7	146.9	-66	173.4	10.2	0	0	116.4
643	L	25.1	Very low	25.8	Very low	129 Å²	129	152.7 Å²	152.7	68%	0.675	75%	0.747	S	S	*	*			cis	-152.9	159.7	-17.1	-135.4	75.6	0	0	0	104.3
644	Q	25.8	Very low	25.5	Very low	143 Å²	143	150.9 Å²	150.9	67%	0.668	75%	0.747	S	S	*	*			cis	-164.6	-176.3	-11.7	-141.6	179	54.5	0	0	107.7
645	I	25.1	Very low	25.2	Very low	137 Å²	137	149.1 Å²	149.1	70%	0.703	74%	0.743	S	S	*	*			trans	64	129	151.5	-68.8	161.1	0	0	0	116.6
646	R	25.5	Very low	25	Very low	231 Å²	231	149.3 Å²	149.3	87%	0.872	75%	0.745	S	S	*	*			cis	-156.5	147.5	1.3	-131.8	-174.3	170.9	145.5	-4.7	110
647	S	26.6	Very low	25	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	75%	0.745	S	S	*	*			trans	-76.9	164	147.5	-152.6	0	0	0	0	107.8
648	P	28.3	Very low	25.1	Very low	95 Å²	95	144.1 Å²	144.1	62%	0.617	75%	0.745	S	S	*	*			cis	-158.2	-163.2	33.6	45.3	-21.9	0	0	0	118.5
649	R	25.3	Very low	25.3	Very low	207 Å²	207	142.4 Å²	142.4	78%	0.781	75%	0.747	S	S	*	*			trans	78.6	102.2	152.4	-75.7	169.7	-174.7	179.1	-0.2	118.5	I651	R649-I651 HydrophobicContact CB-CD1 4.43Å; R649-I651 HydrophobicContact CB-CG1 4.27Å; R649-I651 PolarHBondContact O-N 2.7Å
650	H	22.8	Very low	25.3	Very low	199 Å²	199	141.5 Å²	141.5	92%	0.921	75%	0.747	S	S	*	*			trans	-52.1	127.6	130.8	-73.1	-97.8	0	0	0	109.6
651	I	25.8	Very low	25.2	Very low	143 Å²	143	141.4 Å²	141.4	73%	0.733	75%	0.75	S	S	*	*			trans	-130.1	153.4	159.6	-80	173.6	0	0	0	107.3	R649	R649-I651 HydrophobicContact CB-CD1 4.43Å; R649-I651 HydrophobicContact CB-CG1 4.27Å; R649-I651 PolarHBondContact O-N 2.7Å
652	Q	22.1	Very low	25.3	Very low	174 Å²	174	145.8 Å²	145.8	81%	0.813	76%	0.763	S	S	*	*			trans	-81.3	167.6	-170.4	-68.1	157.7	-67.7	0	0	113.8
653	L	24.4	Very low	25.6	Very low	164 Å²	164	143.1 Å²	143.1	86%	0.859	76%	0.76	S	S	*	*			trans	-16.2	142.3	166.2	-67.8	65.3	0	0	0	116.8
654	S	23.3	Very low	25.6	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	76%	0.764	S	S	*	*				-145.2	159.5	120.1	-158.2	0	0	0	0	113.1
655	I	24.5	Very low	25.5	Very low	147 Å²	147	139.5 Å²	139.5	75%	0.754	77%	0.767	S	S	*	*			trans	-54.8	144.1	178.5	-68.3	82.5	0	0	0	111.1
656	G	23.7	Very low	25.4	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	77%	0.774	S	S	*	*			trans	-81.6	146	174.3	0	0	0	0	0	113.4
657	S	26.5	Very low	25.4	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	77%	0.765	S	S	*	*			trans	-149.2	118.2	167.9	44.8	0	0	0	0	111.4
658	T	25.1	Very low	25.5	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	76%	0.763	S	S	*	*			trans	-70.4	148.2	154.8	52.2	0	0	0	0	108.8
659	P	30.3	Very low	25.4	Very low	115 Å²	115	135.1 Å²	135.1	75%	0.747	77%	0.773	S	S	*	*				-149.6	150.6	97.1	36.7	-19.4	0	0	0	117.7
660	F	24.6	Very low	25.6	Very low	179 Å²	179	133.4 Å²	133.4	79%	0.785	78%	0.779	S	S	*	*			trans	-0.1	139.9	143.1	-66.7	-91.1	0	0	0	122.4
661	L	24.9	Very low	25.9	Very low	139 Å²	139	131.2 Å²	131.2	73%	0.728	77%	0.768	S	S	*	*			trans	64.1	157.2	140.4	-62.1	167	0	0	0	117.9
662	H	26	Very low	26	Very low	162 Å²	162	131.5 Å²	131.5	75%	0.75	77%	0.766	S	S	*	*			cis	-142.3	170.1	1.2	-122	-78.8	0	0	0	107.7
663	P	32.3	Very low	26.3	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	75%	0.752	S	S	*	*			trans	-98.1	141.1	178.4	35.2	-27	0	0	0	113.8
664	A	25.6	Very low	26.5	Very low	92 Å²	92	125 Å²	125	76%	0.76	74%	0.744	S	S	*	*			trans	-165.2	132.3	157.9	0	0	0	0	0	113.8
665	S	23.9	Very low	26.8	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	74%	0.742	S	S	*	*			trans	28.4	135.2	143.8	62.9	0	0	0	0	123.8
666	C	22.7	Very low	27.1	Very low	125 Å²	125	130.1 Å²	130.1	85%	0.845	74%	0.743	S	S	*	*			trans	71.1	148.3	144.8	-66	0	0	0	0	119.2
667	S	25.2	Very low	27.4	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	74%	0.743	S	S	*	*			cis	-165.5	177.8	-14.2	53.8	0	0	0	0	111.1
668	S	28	Very low	27.7	Very low	94 Å²	94	134 Å²	134	66%	0.657	75%	0.745	S	S	*	*			trans	59.7	96	150.7	52.7	0	0	0	0	119.5
669	N	25.4	Very low	28	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	74%	0.738	S	S	*	*				28.3	132	120.3	-48.9	-6.9	0	0	0	119.5
670	L	29.4	Very low	28.2	Very low	172 Å²	172	133 Å²	133	90%	0.901	74%	0.735	S	S	*	*				-155.8	156.4	116.5	-137.5	73.4	0	0	0	113.6
671	H	29.3	Very low	28.6	Very low	152 Å²	152	130 Å²	130	70%	0.704	73%	0.728	S	S	*	*			trans	-64.1	175.6	158.5	-103.3	-125.9	0	0	0	110.2
672	E	28.2	Very low	28.7	Very low	149 Å²	149	133 Å²	133	70%	0.696	74%	0.735	S	S	*	*			cis	-164.6	156.6	44.9	-165.3	55.4	-87.6	0	0	113.8
673	S	28.7	Very low	29.1	Very low	74 Å²	74	130.7 Å²	130.7	52%	0.517	73%	0.734	S	S	.	*			trans	-39.4	168.6	-179.1	70.5	0	0	0	0	124.5
674	N	28.3	Very low	29.1	Very low	129 Å²	129	130 Å²	130	69%	0.69	74%	0.739	S	S	*	*				101.8	129.8	124.7	-91.5	-40.4	0	0	0	125.3
675	R	31.1	Very low	29.1	Very low	200 Å²	200	130.3 Å²	130.3	76%	0.755	74%	0.735	S	S	*	*			trans	90.6	114.9	134.1	-71.6	174.1	178.1	-169	-2.1	124.8
676	H	29.6	Very low	29.3	Very low	168 Å²	168	133.6 Å²	133.6	78%	0.778	74%	0.743	S	S	*	*			trans	47.2	121.9	131.4	-54.2	-56.4	0	0	0	124.4
677	S	31.3	Very low	29.6	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	73%	0.733	S	S	*	*				-160.7	130.1	119.9	-12.4	0	0	0	0	108.2
678	I	31.5	Very low	30	Very low	159 Å²	159	132.8 Å²	132.8	82%	0.815	74%	0.743	S	S	*	*				69.4	122.5	77.3	-65.3	167.5	0	0	0	111.3
679	S	32.4	Very low	30	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	75%	0.746	S	S	*	*			cis	-173.6	163.6	1.8	53.6	0	0	0	0	115
680	N	33.5	Very low	30.3	Very low	131 Å²	131	134.9 Å²	134.9	70%	0.701	74%	0.741	S	S	*	*			trans	68.4	150.2	153.9	-69.1	32.3	0	0	0	120.4
681	D	33.3	Very low	30.3	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	74%	0.736	S	S	*	*			cis	-152.8	130.7	-19.9	-84.2	-34.1	0	0	0	106.7
682	F	27.1	Very low	30.4	Very low	202 Å²	202	135.7 Å²	135.7	89%	0.886	75%	0.745	S	S	*	*				71	147.7	85.2	-90	-100.8	0	0	0	117.6
683	P	34.2	Very low	30.5	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	75%	0.745	S	S	*	*			trans	-127	-175.6	-147.6	45.5	-32.9	0	0	0	116.1
684	A	32.2	Very low	30.5	Very low	103 Å²	103	137.1 Å²	137.1	85%	0.851	76%	0.763	S	S	*	*			trans	-155.5	174.3	159.6	0	0	0	0	0	112
685	S	26.2	Very low	30.4	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	77%	0.772	S	S	*	*			trans	-147.6	162.4	-173.3	65.6	0	0	0	0	113.5
686	I	27.9	Very low	30.3	Very low	173 Å²	173	132.9 Å²	132.9	89%	0.887	77%	0.774	S	S	*	*			trans	72.8	128.9	167.9	-56	159.7	0	0	0	115.5
687	G	29.4	Very low	30.3	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	77%	0.774	S	S	*	*			trans	170.9	100.5	171.3	0	0	0	0	0	116.9
688	T	33.1	Very low	30.3	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	77%	0.774	S	S	*	*			trans	42.6	120	145.2	55.3	0	0	0	0	123.3
689	N	27	Very low	30.1	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	77%	0.768	S	S	*	*			trans	-28.8	167.9	153.2	-50	-14.1	0	0	0	120.4
690	H	32.4	Very low	29.8	Very low	155 Å²	155	135.8 Å²	135.8	72%	0.718	78%	0.778	S	S	*	*			trans	93.1	94.6	153.9	-58.5	-59.8	0	0	0	120
691	N	30.1	Very low	29.6	Very low	149 Å²	149	140 Å²	140	80%	0.797	78%	0.784	S	S	*	*				37.4	96.3	123.1	-53.6	6.5	0	0	0	119.8
692	E	30.1	Very low	29.2	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	80%	0.795	S	S	*	*				-169.9	165.7	126.1	-95.7	-124.7	107.4	0	0	110.1
693	P	31.5	Very low	29.1	Very low	108 Å²	108	132.7 Å²	132.7	70%	0.701	77%	0.774	S	S	*	*			trans	-97.9	141.9	-155.5	35.6	-34.6	0	0	0	116.1
694	V	29.2	Very low	28.8	Very low	146 Å²	146	135.6 Å²	135.6	89%	0.885	78%	0.778	S	S	*	*			trans	-137.5	137.7	162.9	-179.7	0	0	0	0	111.2
695	T	26	Very low	28.3	Very low	143 Å²	143	141 Å²	141	88%	0.877	78%	0.778	S	S	*	*			trans	-92.4	131.8	-173.6	-5.6	0	0	0	0	113.4
696	A	28.7	Very low	28.3	Very low	96 Å²	96	143.3 Å²	143.3	79%	0.793	78%	0.778	S	S	*	*			trans	-157.7	116.7	156.6	0	0	0	0	0	113.3
697	N	28.4	Very low	28.2	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	77%	0.773	S	S	*	*			trans	1.1	140	148.5	-58.1	-14	0	0	0	118.9
698	Q	31.5	Very low	28.1	Very low	162 Å²	162	151.8 Å²	151.8	76%	0.757	79%	0.785	S	S	*	*			cis	-156.5	117.9	3.9	-109.7	164.9	-44.7	0	0	108.6
699	T	27.8	Very low	27.9	Very low	113 Å²	113	149.9 Å²	149.9	69%	0.693	78%	0.778	S	S	*	*				56.3	131	104	64.9	0	0	0	0	117.4
700	I	26.8	Very low	28.2	Very low	164 Å²	164	148.4 Å²	148.4	84%	0.841	78%	0.778	S	S	*	*			cis	-147.6	156.6	-3.2	-108.8	157.9	0	0	0	108.9
701	R	28	Very low	28.2	Very low	219 Å²	219	147.8 Å²	147.8	83%	0.826	79%	0.785	S	S	*	*			trans	-93.5	146.7	-175.2	-174.8	-171.8	-61.5	156.7	0.7	111.7
702	A	25.7	Very low	28.3	Very low	103 Å²	103	144 Å²	144	85%	0.851	78%	0.782	S	S	*	*			trans	-136.9	74.6	164.8	0	0	0	0	0	111.1
703	S	25.1	Very low	28.2	Very low	64 Å²	64	138.9 Å²	138.9	45%	0.448	76%	0.76	S	S	.	*			trans	-65.6	168	136.8	39.8	0	0	0	0	107.9
704	E	27.5	Very low	28	Very low	172 Å²	172	141 Å²	141	80%	0.804	77%	0.765	S	S	*	*			cis	-157.7	-158	43.6	-128.4	103.4	176.9	0	0	110.1
705	Y	22.9	Very low	28.1	Very low	216 Å²	216	138.4 Å²	138.4	85%	0.847	75%	0.745	S	S	*	*			trans	-66.5	-177.1	152.4	-83.6	-120.2	0	0	0	110.6
706	E	25.9	Very low	28.1	Very low	148 Å²	148	137.7 Å²	137.7	69%	0.692	74%	0.741	S	S	*	*			trans	76.3	135.1	166.1	-63.1	-148.2	82.9	0	0	115.7
707	R	26.1	Very low	28.2	Very low	205 Å²	205	139.9 Å²	139.9	77%	0.774	74%	0.735	S	S	*	*				83.4	116.2	57	-161.9	-166.1	-88.4	162.8	-16.1	111.6
708	K	26.5	Very low	28.1	Very low	207 Å²	207	139.4 Å²	139.4	90%	0.9	73%	0.732	S	S	*	*			trans	31.7	95.7	164.5	-64.3	-179.5	176.1	-178.6	0	118.6
709	S	28.9	Very low	28.1	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	72%	0.72	S	S	*	*			trans	-161.1	137.6	157.5	178.6	0	0	0	0	108.4
710	S	32.3	Very low	28.3	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	72%	0.716	S	S	*	*			cis	83.5	75.2	33.6	76.9	0	0	0	0	116.1	G712	S710-G712 PolarHBondContact O-N 3.34Å
711	T	32.7	Very low	28.7	Very low	141 Å²	141	131.2 Å²	131.2	87%	0.865	70%	0.701	S	S	*	*			trans	-78.9	89.7	163.8	48	0	0	0	0	110.8
712	G	32	Very low	28.9	Very low	71 Å²	71	124.3 Å²	124.3	73%	0.732	68%	0.683	S	S	*	*			trans	-77.5	119.7	169.7	0	0	0	0	0	111.3	S710	S710-G712 PolarHBondContact O-N 3.34Å
713	I	29.2	Very low	28.9	Very low	84 Å²	84	125.8 Å²	125.8	43%	0.431	68%	0.676	S	S	.	*			trans	-85	115.6	160.4	-57.8	-176.4	0	0	0	107	I715	I713-I715 VanDerWaalsContact C-N 3.29Å; I713-I715 HydrophobicContact CG2-CG1 4.19Å; I713-I715 PolarHBondContact O-N 2.9Å
714	N	27.4	Very low	29.1	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	68%	0.681	S	S	*	*			trans	-70.8	84.3	172.4	-81.7	-15.4	0	0	0	110.4
715	I	30.5	Very low	29.2	Very low	91 Å²	91	127.5 Å²	127.5	47%	0.467	68%	0.678	S	S	.	*			trans	-87	100.2	153.9	-64.3	177.4	0	0	0	106.4	M65 I713 Q717	M65-I715 HydrophobicContact CE-CG2 4.43Å; I713-I715 VanDerWaalsContact C-N 3.29Å; I713-I715 HydrophobicContact CG2-CG1 4.19Å; I713-I715 PolarHBondContact O-N 2.9Å; I715-Q717 PolarHBondContact O-N 2.99Å
716	T	26.4	Very low	29.7	Very low	129 Å²	129	121.3 Å²	121.3	79%	0.791	66%	0.659	S	S	*	*			trans	-72.4	94.1	178.5	50.2	0	0	0	0	110.7
717	Q	30.2	Very low	29.9	Very low	141 Å²	141	120 Å²	120	66%	0.659	66%	0.657	S	S	*	*			trans	-149	125.8	153.4	-135.1	162.9	-9.9	0	0	110.6	M65 I715	M65-Q717 HydrophobicContact CE-CB 3.76Å; M65-Q717 HydrophobicContact SD-CB 4.45Å; I715-Q717 PolarHBondContact O-N 2.99Å
718	N	27.2	Very low	30.1	Very low	136 Å²	136	113.7 Å²	113.7	73%	0.727	66%	0.656	S	S	*	*			trans	-66.5	162.6	174.8	-63.3	-22	0	0	0	110.8
719	D	31.3	Very low	30.3	Very low	95 Å²	95	111 Å²	111	51%	0.508	66%	0.657	S	S	.	*			trans	111.2	158.7	158.2	-57	-10.2	0	0	0	114.9	Y64	Y64-D719 WeakPolarHBondContact CB-O 3.2Å; Y64-D719 HydrophobicContact CD1-CB 4.02Å; Y64-D719 HydrophobicContact CD2-CB 3.1Å; Y64-D719 HydrophobicContact CE1-CB 4.02Å; Y64-D719 HydrophobicContact CE2-CB 3.07Å; Y64-D719 VanDerWaalsContact CE2-OD2 3.25Å; Y64-D719 WeakPolarHBondContact CE2-OD2 3.2Å; Y64-D719 HydrophobicContact CG-CB 3.57Å; Y64-D719 PolarHBondContact OH-OD2 2.78Å
720	P	31.2	Very low	30.4	Very low	91 Å²	91	109.4 Å²	109.4	59%	0.591	66%	0.658	S	S	*	*			trans	-125.4	149	-163.6	39.1	-24.5	0	0	0	117.2	S63 T722	S63-P720 CarbonylContact O-C 3.49Å; S63-P720 VanDerWaalsContact O-C 3.22Å; P720-T722 PolarHBondContact O-N 2.88Å; P720-T722 PolarHBondContact O-OG1 2.85Å
721	P	35.4	Very low	30.1	Very low	81 Å²	81	115.6 Å²	115.6	53%	0.526	67%	0.665	S	S	.	*			trans	-6.7	43.2	147.9	33.6	-12.7	0	0	0	122.1	S63 Y64 L723	S63-P721 WeakPolarHBondContact O-CB 3.46Å; S63-P721 WeakPolarHBondContact O-CD 3.47Å; S63-P721 WeakPolarHBondContact O-CG 3.44Å; Y64-P721 WeakPolarHBondContact O-CD 3.37Å; Y64-P721 WeakPolarHBondContact O-CG 3.46Å; P721-L723 PolarHBondContact O-N 3.38Å; P721-L723 VanDerWaalsContact O-N 3.11Å
722	T	33	Very low	30	Very low	74 Å²	74	118.1 Å²	118.1	45%	0.454	66%	0.664	S	S	.	*			trans	-58.9	119	163.2	19.3	0	0	0	0	107.4	T62 S63 P720	T62-T722 VanDerWaalsContact C-OG1 3.27Å; T62-T722 CarbonylContact O-C 3.59Å; T62-T722 VanDerWaalsContact O-CB 3.32Å; T62-T722 WeakPolarHBondContact O-CB 3.34Å; T62-T722 PolarHBondContact O-OG1 2.75Å; S63-T722 PolarHBondContact N-OG1 3.39Å; P720-T722 PolarHBondContact O-N 2.88Å; P720-T722 PolarHBondContact O-OG1 2.85Å
723	L	25.6	Very low	30	Very low	135 Å²	135	121 Å²	121	71%	0.707	67%	0.667	S	S	*	*			trans	-70.1	144.1	167.1	-76.1	83.9	0	0	0	106.9	P721 F725	P721-L723 PolarHBondContact O-N 3.38Å; P721-L723 VanDerWaalsContact O-N 3.11Å; L723-F725 HydrophobicContact CD2-CE2 3.93Å
724	N	29.5	Very low	30.2	Very low	102 Å²	102	121.2 Å²	121.2	55%	0.545	68%	0.682	S	S	.	*			trans	-138.5	139.5	154.8	-109.1	-50.9	0	0	0	113.5	G60 S61	G60-N724 WeakPolarHBondContact O-CB 3.42Å; G60-N724 PolarHBondContact O-OD1 3.24Å; S61-N724 VanDerWaalsContact N-CB 3.33Å; S61-N724 VanDerWaalsContact N-CG 3.32Å; S61-N724 PolarHBondContact N-ND2 3.17Å; S61-N724 VanDerWaalsContact N-ND2 3.14Å; S61-N724 WeakPolarHBondContact O-CB 2.81Å; S61-N724 PolarHBondContact O-ND2 2.86Å
725	F	28.3	Very low	30.6	Very low	169 Å²	169	117.9 Å²	117.9	74%	0.741	67%	0.67	S	S	*	*			trans	-109.9	75.8	-166.4	-100.8	-84.8	0	0	0	109.7	L723 N727	L723-F725 HydrophobicContact CD2-CE2 3.93Å; F725-N727 PolarHBondContact O-N 3.3Å
726	D	33.7	Very low	30.7	Very low	86 Å²	86	123.1 Å²	123.1	46%	0.46	69%	0.685	S	S	.	*			trans	-77.2	85.4	177.8	-93.4	-9.2	0	0	0	112.6	H59 G60 G728	H59-D726 VanDerWaalsContact CA-OD1 3.24Å; H59-D726 WeakPolarHBondContact CA-OD1 2.76Å; H59-D726 VanDerWaalsContact N-CG 3.32Å; H59-D726 PolarHBondContact N-OD1 3.3Å; G60-D726 PolarHBondContact N-OD1 3.17Å; G60-D726 VanDerWaalsContact N-OD1 3.15Å; G60-D726 PolarHBondContact N-OD2 3.39Å; D726-G728 PolarHBondContact O-N 3.28Å
727	N	29.5	Very low	31.4	Very low	120 Å²	120	120.4 Å²	120.4	64%	0.642	67%	0.67	S	S	*	*				38.7	61.4	125.1	-67.8	-32.5	0	0	0	117.2	I58 F725	I58-N727 WeakPolarHBondContact O-CB 3.11Å; I58-N727 PolarHBondContact O-ND2 3.02Å; I58-N727 VanDerWaalsContact O-ND2 3.14Å; F725-N727 PolarHBondContact O-N 3.3Å
728	G	30.9	Very low	32.1	Very low	74 Å²	74	118 Å²	118	76%	0.763	67%	0.668	S	S	*	*			trans	-108.7	77.7	168.5	0	0	0	0	0	112.2	D726 G730	D726-G728 PolarHBondContact O-N 3.28Å; G728-G730 PolarHBondContact O-N 3.25Å
729	T	30.3	Very low	32.9	Very low	149 Å²	149	115.3 Å²	115.3	91%	0.914	65%	0.653	S	S	*	*			trans	-65.6	105.7	-176.4	51.6	0	0	0	0	112.5
730	G	31	Very low	33.8	Very low	72 Å²	72	114.6 Å²	114.6	74%	0.742	65%	0.649	S	S	*	*			trans	-146.1	39	-171	0	0	0	0	0	116.3	G728	G728-G730 PolarHBondContact O-N 3.25Å
731	R	27	Very low	34.9	Very low	234 Å²	234	113 Å²	113	88%	0.883	64%	0.644	S	S	*	*			trans	-61.5	133.7	168.6	-73.4	178.7	172.1	176.8	-2.5	110.2
732	F	31	Very low	35.9	Very low	195 Å²	195	114.9 Å²	114.9	86%	0.855	65%	0.646	S	S	*	*			trans	-164.7	97.6	134.4	-93.4	-58.5	0	0	0	113.2
733	T	30.5	Very low	36.9	Very low	130 Å²	130	118.3 Å²	118.3	80%	0.798	65%	0.651	S	S	*	*			trans	37.9	88.5	140.2	56.8	0	0	0	0	118.7
734	A	33.6	Very low	38.5	Very low	89 Å²	89	116.2 Å²	116.2	74%	0.736	64%	0.64	S	S	*	*			trans	-81.2	132.8	158.5	0	0	0	0	0	110.7
735	C	35.5	Very low	40.1	Very low	82 Å²	82	115.6 Å²	115.6	55%	0.554	64%	0.636	S	S	*	*			trans	-63.6	131.2	-175.7	-136.7	0	0	0	0	111.9	C737	C735-C737 HydrophobicContact CB-CB 3.64Å; C735-C737 WeakPolarHBondContact CB-SG 3.4Å; C735-C737 PolarHBondContact O-N 3.48Å; C735-C737 VanDerWaalsContact O-N 3.07Å; C735-C737 WeakPolarHBondContact SG-CB 3.39Å; C735-C737 CovalentContact SG-SG 2.04Å; C735-C737 PolarHBondContact SG-SG 3.42Å
736	Y	33.3	Very low	41.8	Very low	202 Å²	202	110.8 Å²	110.8	79%	0.792	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-22.8	163.7	-91	-96.8	0	0	0	112.6	C738 L739	Y736-C738 PolarHBondContact O-N 2.9Å; Y736-L739 VanDerWaalsContact O-CB 3.29Å; Y736-L739 WeakPolarHBondContact O-CB 3.29Å; Y736-L739 PolarHBondContact O-N 3.1Å
737	C	42.2	Very low	43.3	Very low	71 Å²	71	110.9 Å²	110.9	48%	0.48	62%	0.621	S	S	.	*	H	α-helix	trans	-54.1	-13.3	-178.8	-31	0	0	0	0	115.3	C735	C735-C737 HydrophobicContact CB-CB 3.64Å; C735-C737 WeakPolarHBondContact CB-SG 3.4Å; C735-C737 PolarHBondContact O-N 3.48Å; C735-C737 VanDerWaalsContact O-N 3.07Å; C735-C737 WeakPolarHBondContact SG-CB 3.39Å; C735-C737 CovalentContact SG-SG 2.04Å; C735-C737 PolarHBondContact SG-SG 3.42Å
738	C	43.6	Very low	45	Very low	90 Å²	90	109 Å²	109	61%	0.608	61%	0.614	S	S	*	*	H	α-helix	trans	-83.2	-20.8	172	-69	0	0	0	0	113.4	Y736	Y736-C738 PolarHBondContact O-N 2.9Å
739	L	43.6	Very low	46.5	Very low	81 Å²	81	106.6 Å²	106.6	42%	0.424	59%	0.588	S	S	.	*	H	α-helix	trans	-74.7	-45.6	177.3	-158.7	79.4	0	0	0	110.8	Y736 A741 H742 Y743	Y736-L739 VanDerWaalsContact O-CB 3.29Å; Y736-L739 WeakPolarHBondContact O-CB 3.29Å; Y736-L739 PolarHBondContact O-N 3.1Å; L739-A741 VanDerWaalsContact C-N 3.27Å; L739-A741 PolarHBondContact O-N 3.34Å; L739-H742 WeakPolarHBondContact O-CB 3.11Å; L739-H742 PolarHBondContact O-N 3.21Å; L739-Y743 HydrophobicContact CD2-CE2 4.04Å; L739-Y743 HydrophobicContact CG-CD2 4.33Å; L739-Y743 HydrophobicContact CG-CE2 3.92Å; L739-Y743 WeakPolarHBondContact O-CD2 3.44Å; L739-Y743 PolarHBondContact O-N 3.06Å
740	D	51.7	Low	48.3	Very low	79 Å²	79	103.6 Å²	103.6	42%	0.422	57%	0.566	S	S	.	*	H	α-helix	trans	-56.5	-39.7	178.8	-64.1	-43.3	0	0	0	112.6	H742 Y743 L744	D740-H742 PolarHBondContact O-N 3.42Å; D740-Y743 PolarHBondContact O-N 2.75Å; D740-L744 WeakPolarHBondContact O-CB 3.15Å; D740-L744 WeakPolarHBondContact O-CG 3.34Å; D740-L744 PolarHBondContact O-N 2.85Å
741	A	53.2	Low	49.7	Very low	58 Å²	58	101.5 Å²	101.5	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-60.6	-33.4	177.9	0	0	0	0	0	112.6	L739 L745	L739-A741 VanDerWaalsContact C-N 3.27Å; L739-A741 PolarHBondContact O-N 3.34Å; A741-L745 WeakPolarHBondContact O-CB 3.5Å; A741-L745 PolarHBondContact O-N 2.7Å
742	H	56.2	Low	51.6	Low	121 Å²	121	95.4 Å²	95.4	56%	0.56	53%	0.529	S	S	*	.	H	α-helix	trans	-76.4	-36.4	178.5	-156.1	-60.8	0	0	0	111.9	L739 D740 L745 V746	L739-H742 WeakPolarHBondContact O-CB 3.11Å; L739-H742 PolarHBondContact O-N 3.21Å; D740-H742 PolarHBondContact O-N 3.42Å; H742-L745 PolarHBondContact O-N 2.76Å; H742-V746 WeakPolarHBondContact O-CG2 3.48Å; H742-V746 PolarHBondContact O-N 2.74Å; H742-V746 VanDerWaalsContact O-N 3.1Å
743	Y	55.6	Low	53	Low	146 Å²	146	90.8 Å²	90.8	57%	0.573	51%	0.512	S	S	*	.	H	α-helix	trans	-67.8	-42.3	171.8	-75.1	-71.3	0	0	0	111.9	L739 D740 L745 V746 I747	L739-Y743 HydrophobicContact CD2-CE2 4.04Å; L739-Y743 HydrophobicContact CG-CD2 4.33Å; L739-Y743 HydrophobicContact CG-CE2 3.92Å; L739-Y743 WeakPolarHBondContact O-CD2 3.44Å; L739-Y743 PolarHBondContact O-N 3.06Å; D740-Y743 PolarHBondContact O-N 2.75Å; Y743-L745 VanDerWaalsContact C-N 3.32Å; Y743-L745 PolarHBondContact O-N 3.42Å; Y743-V746 PolarHBondContact O-N 3.4Å; Y743-I747 WeakPolarHBondContact O-CB 3.46Å; Y743-I747 VanDerWaalsContact O-CG1 3.25Å; Y743-I747 WeakPolarHBondContact O-CG1 3.44Å; Y743-I747 PolarHBondContact O-N 3.48Å
744	L	59.4	Low	54.7	Low	90 Å²	90	90.9 Å²	90.9	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-39.3	174	-75.4	169.8	0	0	0	112.1	D740 I747 T748	D740-L744 WeakPolarHBondContact O-CB 3.15Å; D740-L744 WeakPolarHBondContact O-CG 3.34Å; D740-L744 PolarHBondContact O-N 2.85Å; L744-I747 PolarHBondContact O-N 3.29Å; L744-T748 WeakPolarHBondContact O-CB 3.47Å; L744-T748 WeakPolarHBondContact O-CG2 3.3Å; L744-T748 PolarHBondContact O-N 3.42Å; L744-T748 PolarHBondContact O-OG1 3.01Å
745	L	62.2	Low	56.4	Low	89 Å²	89	90.9 Å²	90.9	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-42	175.4	-167.1	154	0	0	0	112	A741 H742 Y743 T748 G749	A741-L745 WeakPolarHBondContact O-CB 3.5Å; A741-L745 PolarHBondContact O-N 2.7Å; H742-L745 PolarHBondContact O-N 2.76Å; Y743-L745 VanDerWaalsContact C-N 3.32Å; Y743-L745 PolarHBondContact O-N 3.42Å; L745-T748 PolarHBondContact O-OG1 3.37Å; L745-G749 PolarHBondContact O-N 2.77Å
746	V	63.1	Low	57.6	Low	69 Å²	69	88.3 Å²	88.3	42%	0.418	48%	0.476	S	S	.	.	H	α-helix	trans	-65.3	-45.6	174.8	171.3	0	0	0	0	111.5	H742 Y743 G749 I750	H742-V746 WeakPolarHBondContact O-CG2 3.48Å; H742-V746 PolarHBondContact O-N 2.74Å; H742-V746 VanDerWaalsContact O-N 3.1Å; Y743-V746 PolarHBondContact O-N 3.4Å; V746-G749 PolarHBondContact O-N 2.79Å; V746-I750 HydrophobicContact CG1-CD1 3.79Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.3Å; V746-I750 PolarHBondContact O-N 3.1Å
747	I	65.6	Low	58.9	Low	88 Å²	88	82.2 Å²	82.2	45%	0.451	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-43.4	-179.7	-68.8	165.6	0	0	0	111.1	Y743 L744 I750 G751	Y743-I747 WeakPolarHBondContact O-CB 3.46Å; Y743-I747 VanDerWaalsContact O-CG1 3.25Å; Y743-I747 WeakPolarHBondContact O-CG1 3.44Å; Y743-I747 PolarHBondContact O-N 3.48Å; L744-I747 PolarHBondContact O-N 3.29Å; I747-I750 PolarHBondContact O-N 3.42Å; I747-G751 PolarHBondContact O-N 2.94Å
748	T	65.2	Low	60	Low	81 Å²	81	81.3 Å²	81.3	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-69.5	-35.3	175.7	50.5	0	0	0	0	112.6	L744 L745 G751 L752	L744-T748 WeakPolarHBondContact O-CB 3.47Å; L744-T748 WeakPolarHBondContact O-CG2 3.3Å; L744-T748 PolarHBondContact O-N 3.42Å; L744-T748 PolarHBondContact O-OG1 3.01Å; L745-T748 PolarHBondContact O-OG1 3.37Å; T748-G751 PolarHBondContact O-N 2.93Å; T748-L752 WeakPolarHBondContact O-CB 3.15Å; T748-L752 WeakPolarHBondContact O-CG 3.35Å; T748-L752 PolarHBondContact O-N 3.49Å
749	G	63	Low	60.8	Low	22 Å²	22	82 Å²	82	23%	0.227	45%	0.446	C	S	.	.	H	α-helix	trans	-60.6	-46.1	171	0	0	0	0	0	112.5	L745 V746 L752 L753	L745-G749 PolarHBondContact O-N 2.77Å; V746-G749 PolarHBondContact O-N 2.79Å; G749-L752 PolarHBondContact O-N 3.2Å; G749-L753 WeakPolarHBondContact O-CB 3.46Å; G749-L753 PolarHBondContact O-N 2.9Å
750	I	67.6	Low	61.6	Low	86 Å²	86	81 Å²	81	44%	0.441	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-43	174.3	-68.5	164.4	0	0	0	110.9	V746 I747 L752 L753 F754	V746-I750 HydrophobicContact CG1-CD1 3.79Å; V746-I750 VanDerWaalsContact O-CG1 3.3Å; V746-I750 WeakPolarHBondContact O-CG1 3.3Å; V746-I750 PolarHBondContact O-N 3.1Å; I747-I750 PolarHBondContact O-N 3.42Å; I750-L752 PolarHBondContact O-N 2.91Å; I750-L753 WeakPolarHBondContact O-CB 3.46Å; I750-L753 PolarHBondContact O-N 2.98Å; I750-L753 VanDerWaalsContact O-N 3.15Å; I750-F754 HydrophobicContact CG2-CD2 3.78Å; I750-F754 HydrophobicContact CG2-CE2 3.77Å; I750-F754 WeakPolarHBondContact O-CD2 3.36Å; I750-F754 PolarHBondContact O-N 2.94Å
751	G	60.3	Low	61.8	Low	29 Å²	29	84.8 Å²	84.8	30%	0.299	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.2	0	0	0	0	0	113	I747 T748 L753 F754 I755	I747-G751 PolarHBondContact O-N 2.94Å; T748-G751 PolarHBondContact O-N 2.93Å; G751-L753 VanDerWaalsContact C-N 3.33Å; G751-F754 PolarHBondContact O-N 3.17Å; G751-I755 VanDerWaalsContact O-CG1 3.28Å; G751-I755 WeakPolarHBondContact O-CG1 3.34Å; G751-I755 PolarHBondContact O-N 3.34Å
752	L	66.9	Low	62.1	Low	105 Å²	105	84.4 Å²	84.4	55%	0.55	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-33.3	173.9	-73	172.1	0	0	0	112.5	T748 G749 I750 I755 G756	T748-L752 WeakPolarHBondContact O-CB 3.15Å; T748-L752 WeakPolarHBondContact O-CG 3.35Å; T748-L752 PolarHBondContact O-N 3.49Å; G749-L752 PolarHBondContact O-N 3.2Å; I750-L752 PolarHBondContact O-N 2.91Å; L752-I755 PolarHBondContact O-N 3.44Å; L752-G756 PolarHBondContact O-N 3.48Å
753	L	60.3	Low	62	Low	98 Å²	98	83.5 Å²	83.5	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-46.5	173.8	-152.6	171.6	0	0	0	110.6	G749 I750 G751 G756 L757	G749-L753 WeakPolarHBondContact O-CB 3.46Å; G749-L753 PolarHBondContact O-N 2.9Å; I750-L753 WeakPolarHBondContact O-CB 3.46Å; I750-L753 PolarHBondContact O-N 2.98Å; I750-L753 VanDerWaalsContact O-N 3.15Å; G751-L753 VanDerWaalsContact C-N 3.33Å; L753-G756 PolarHBondContact O-N 3.45Å; L753-L757 HydrophobicContact CD2-CD1 4.04Å; L753-L757 PolarHBondContact O-N 3.04Å
754	F	67.4	Low	61.2	Low	133 Å²	133	80.8 Å²	80.8	58%	0.583	45%	0.445	S	S	*	.	H	α-helix	trans	-61.5	-45.1	173.4	-86.7	-72	0	0	0	112.7	I750 G751 G756 L757 V758	I750-F754 HydrophobicContact CG2-CD2 3.78Å; I750-F754 HydrophobicContact CG2-CE2 3.77Å; I750-F754 WeakPolarHBondContact O-CD2 3.36Å; I750-F754 PolarHBondContact O-N 2.94Å; G751-F754 PolarHBondContact O-N 3.17Å; F754-G756 VanDerWaalsContact C-N 3.31Å; F754-G756 PolarHBondContact O-N 3.46Å; F754-L757 PolarHBondContact O-N 3.33Å; F754-V758 WeakPolarHBondContact O-CB 3.41Å; F754-V758 VanDerWaalsContact O-CG2 3.31Å; F754-V758 WeakPolarHBondContact O-CG2 3.08Å; F754-V758 PolarHBondContact O-N 3.41Å
755	I	69.2	Low	60.6	Low	89 Å²	89	82.3 Å²	82.3	46%	0.456	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-41.7	176.1	-69.9	164.4	0	0	0	110.7	G751 L752 V758 L759	G751-I755 VanDerWaalsContact O-CG1 3.28Å; G751-I755 WeakPolarHBondContact O-CG1 3.34Å; G751-I755 PolarHBondContact O-N 3.34Å; L752-I755 PolarHBondContact O-N 3.44Å; I755-V758 PolarHBondContact O-N 2.75Å; I755-L759 HydrophobicContact CG2-CD1 3.82Å; I755-L759 HydrophobicContact CG2-CG 4.35Å; I755-L759 WeakPolarHBondContact O-CB 3.37Å; I755-L759 VanDerWaalsContact O-CG 3.27Å; I755-L759 WeakPolarHBondContact O-CG 3.28Å; I755-L759 PolarHBondContact O-N 3.41Å
756	G	60.2	Low	59.8	Low	28 Å²	28	86.7 Å²	86.7	29%	0.289	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-47	174.5	0	0	0	0	0	112.7	L752 L753 F754 L759 I760	L752-G756 PolarHBondContact O-N 3.48Å; L753-G756 PolarHBondContact O-N 3.45Å; F754-G756 VanDerWaalsContact C-N 3.31Å; F754-G756 PolarHBondContact O-N 3.46Å; G756-L759 PolarHBondContact O-N 3.28Å; G756-I760 WeakPolarHBondContact O-CD1 3.48Å; G756-I760 VanDerWaalsContact O-CG1 3.26Å; G756-I760 WeakPolarHBondContact O-CG1 3.3Å; G756-I760 PolarHBondContact O-N 2.96Å
757	L	61.4	Low	58.8	Low	73 Å²	73	89.4 Å²	89.4	38%	0.382	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-46.7	176.1	-110.2	167.9	0	0	0	112	I132 L753 F754 I760 W761	I132-L757 HydrophobicContact CD1-CD2 4.32Å; L753-L757 HydrophobicContact CD2-CD1 4.04Å; L753-L757 PolarHBondContact O-N 3.04Å; F754-L757 PolarHBondContact O-N 3.33Å; L757-I760 PolarHBondContact O-N 3.35Å; L757-W761 PolarHBondContact O-N 2.91Å
758	V	64.2	Low	57.6	Low	52 Å²	52	96.3 Å²	96.3	32%	0.315	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-40.8	179	170.9	0	0	0	0	111.6	F754 I755 W761 A762 T1008	F754-V758 WeakPolarHBondContact O-CB 3.41Å; F754-V758 VanDerWaalsContact O-CG2 3.31Å; F754-V758 WeakPolarHBondContact O-CG2 3.08Å; F754-V758 PolarHBondContact O-N 3.41Å; I755-V758 PolarHBondContact O-N 2.75Å; V758-W761 PolarHBondContact O-N 3.42Å; V758-A762 VanDerWaalsContact O-CB 3.27Å; V758-A762 WeakPolarHBondContact O-CB 3.35Å; V758-A762 PolarHBondContact O-N 3.08Å; V758-T1008 HydrophobicContact CG1-CG2 4.21Å; V758-T1008 HydrophobicContact CG2-CG2 3.8Å
759	L	60	Low	56.7	Low	105 Å²	105	95.4 Å²	95.4	55%	0.55	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-41.5	176.1	-75.2	171.4	0	0	0	111.9	I755 G756 A762 T763	I755-L759 HydrophobicContact CG2-CD1 3.82Å; I755-L759 HydrophobicContact CG2-CG 4.35Å; I755-L759 WeakPolarHBondContact O-CB 3.37Å; I755-L759 VanDerWaalsContact O-CG 3.27Å; I755-L759 WeakPolarHBondContact O-CG 3.28Å; I755-L759 PolarHBondContact O-N 3.41Å; G756-L759 PolarHBondContact O-N 3.28Å; L759-A762 PolarHBondContact O-N 3.3Å; L759-T763 WeakPolarHBondContact O-CG2 3.17Å; L759-T763 PolarHBondContact O-N 3.44Å; L759-T763 PolarHBondContact O-OG1 2.91Å; L759-T763 VanDerWaalsContact O-OG1 3.13Å
760	I	60.4	Low	55.8	Low	59 Å²	59	96.6 Å²	96.6	30%	0.303	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-49.9	175.3	-67.1	164.6	0	0	0	109.9	L129 I132 G756 L757 A762 T763 D764	L129-I760 HydrophobicContact CD2-CD1 4.03Å; I132-I760 HydrophobicContact CD1-CD1 3.86Å; I132-I760 HydrophobicContact CD1-CG2 4.3Å; I132-I760 HydrophobicContact CG2-CG2 4.12Å; G756-I760 WeakPolarHBondContact O-CD1 3.48Å; G756-I760 VanDerWaalsContact O-CG1 3.26Å; G756-I760 WeakPolarHBondContact O-CG1 3.3Å; G756-I760 PolarHBondContact O-N 2.96Å; L757-I760 PolarHBondContact O-N 3.35Å; I760-A762 VanDerWaalsContact C-N 3.29Å; I760-A762 PolarHBondContact O-N 3.08Å; I760-T763 PolarHBondContact O-N 3.45Å; I760-T763 PolarHBondContact O-OG1 3.04Å; I760-D764 PolarHBondContact O-N 2.71Å
761	W	56.6	Low	54.7	Low	159 Å²	159	100 Å²	100	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-58.2	-35.4	175	-111.2	68.8	0	0	0	113.9	L757 V758 L1004	L757-W761 PolarHBondContact O-N 2.91Å; V758-W761 PolarHBondContact O-N 3.42Å; W761-L1004 HydrophobicContact CE3-CD2 3.47Å; W761-L1004 VanDerWaalsContact CE3-CD2 3.47Å; W761-L1004 HydrophobicContact CH2-CD2 4.44Å; W761-L1004 HydrophobicContact CZ3-CD2 3.37Å
762	A	58.8	Low	53.9	Low	50 Å²	50	102 Å²	102	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-74.5	-38.5	179.6	0	0	0	0	0	112.8	V758 L759 I760	V758-A762 VanDerWaalsContact O-CB 3.27Å; V758-A762 WeakPolarHBondContact O-CB 3.35Å; V758-A762 PolarHBondContact O-N 3.08Å; L759-A762 PolarHBondContact O-N 3.3Å; I760-A762 VanDerWaalsContact C-N 3.29Å; I760-A762 PolarHBondContact O-N 3.08Å
763	T	54.2	Low	52.9	Low	103 Å²	103	100 Å²	100	63%	0.632	51%	0.507	S	S	*	.	H	α-helix	trans	-73.6	-27.2	-178.2	54.8	0	0	0	0	114.4	L759 I760 R765	L759-T763 WeakPolarHBondContact O-CG2 3.17Å; L759-T763 PolarHBondContact O-N 3.44Å; L759-T763 PolarHBondContact O-OG1 2.91Å; L759-T763 VanDerWaalsContact O-OG1 3.13Å; I760-T763 PolarHBondContact O-N 3.45Å; I760-T763 PolarHBondContact O-OG1 3.04Å; T763-R765 PolarHBondContact O-N 2.96Å
764	D	39.7	Very low	52.1	Low	89 Å²	89	96.9 Å²	96.9	48%	0.476	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	92.9	-177.5	169.9	33.9	0	0	0	112.1	I760 R1001	I760-D764 PolarHBondContact O-N 2.71Å; D764-R1001 PolarHBondContact O-NH1 2.81Å; D764-R1001 PolarHBondContact O-NH2 3.34Å
765	R	45.8	Very low	50.9	Low	121 Å²	121	96 Å²	96	46%	0.457	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-179.7	-30.1	147.2	-107	177.1	-162.1	151.3	4.5	114.6	T763 N997	T763-R765 PolarHBondContact O-N 2.96Å; R765-N997 VanDerWaalsContact NH1-CB 3.33Å; R765-N997 PolarHBondContact NH1-OD1 2.7Å; R765-N997 PolarHBondContact NH2-OD1 3.26Å
766	H	45.1	Very low	49.7	Very low	181 Å²	181	95.1 Å²	95.1	84%	0.838	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-9.8	-168	-73.2	-69	0	0	0	115.7
767	V	43.4	Very low	48.8	Very low	126 Å²	126	94.3 Å²	94.3	76%	0.764	48%	0.481	S	S	*	.	S	Bend	trans	-112.1	92.3	170.5	-176.5	0	0	0	0	107.7	P769	V767-P769 WeakPolarHBondContact O-CD 3.4Å
768	R	40.9	Very low	48	Very low	234 Å²	234	94.1 Å²	94.1	88%	0.883	48%	0.483	S	S	*	.			trans	-50.8	105.9	178.8	-83.4	-178.8	169.5	171.3	-3.5	109.6	G770	R768-G770 PolarHBondContact O-N 2.7Å; R768-G770 VanDerWaalsContact O-N 3.1Å
769	P	44.7	Very low	47.1	Very low	61 Å²	61	98.4 Å²	98.4	40%	0.396	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-71.7	-11.2	-176.5	30.3	-33.6	0	0	0	111.2	V767 W771 L772 L773	V767-P769 WeakPolarHBondContact O-CD 3.4Å; P769-W771 PolarHBondContact O-N 3.49Å; P769-L772 CarbonylContact O-C 3.58Å; P769-L772 PolarHBondContact O-N 2.86Å; P769-L773 HydrophobicContact CB-CD1 3.78Å; P769-L773 HydrophobicContact CB-CG 4.15Å; P769-L773 HydrophobicContact CG-CD1 3.83Å; P769-L773 WeakPolarHBondContact O-CB 3.43Å; P769-L773 PolarHBondContact O-N 3.04Å
770	G	44.4	Very low	46.4	Very low	47 Å²	47	96.3 Å²	96.3	49%	0.485	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-51.5	-22	-178.3	0	0	0	0	0	117.2	R768 A774	R768-G770 PolarHBondContact O-N 2.7Å; R768-G770 VanDerWaalsContact O-N 3.1Å; G770-A774 WeakPolarHBondContact O-CA 3.46Å; G770-A774 WeakPolarHBondContact O-CB 3.49Å; G770-A774 PolarHBondContact O-N 3.46Å
771	W	45.2	Very low	45.7	Very low	157 Å²	157	99.6 Å²	99.6	60%	0.595	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77.5	-44	170	-172.8	80.9	0	0	0	112	P769 A774 K775	P769-W771 PolarHBondContact O-N 3.49Å; W771-A774 PolarHBondContact O-N 2.9Å; W771-K775 HydrophobicContact CH2-CD 4.08Å; W771-K775 HydrophobicContact CZ2-CD 4.03Å; W771-K775 VanDerWaalsContact CZ2-NZ 3.32Å; W771-K775 HydrophobicContact CZ3-CD 4.37Å; W771-K775 PolarHBondContact O-N 3.01Å
772	L	42.1	Very low	45.4	Very low	71 Å²	71	94.7 Å²	94.7	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-74.7	-42.7	179.9	-159.6	146.9	0	0	0	110.4	H19 P769 A774 K775 T776	H19-L772 WeakPolarHBondContact NE2-CD1 3.08Å; P769-L772 CarbonylContact O-C 3.58Å; P769-L772 PolarHBondContact O-N 2.86Å; L772-A774 VanDerWaalsContact C-N 3.27Å; L772-A774 PolarHBondContact O-N 2.97Å; L772-K775 CarbonylContact O-C 3.22Å; L772-K775 PolarHBondContact O-N 2.96Å; L772-K775 VanDerWaalsContact O-N 3.11Å; L772-T776 HydrophobicContact CD2-CG2 3.64Å; L772-T776 HydrophobicContact CG-CG2 4.4Å; L772-T776 PolarHBondContact O-N 2.98Å; L772-T776 PolarHBondContact O-OG1 3.28Å
773	L	47	Very low	45	Very low	65 Å²	65	100.6 Å²	100.6	34%	0.34	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-21.5	167.1	-71.1	174.3	0	0	0	113.4	L133 P769 G777	L133-L773 HydrophobicContact CD2-CD2 4.5Å; P769-L773 HydrophobicContact CB-CD1 3.78Å; P769-L773 HydrophobicContact CB-CG 4.15Å; P769-L773 HydrophobicContact CG-CD1 3.83Å; P769-L773 WeakPolarHBondContact O-CB 3.43Å; P769-L773 PolarHBondContact O-N 3.04Å; L773-G777 WeakPolarHBondContact O-CA 3.39Å; L773-G777 PolarHBondContact O-N 2.86Å
774	A	44.3	Very low	44.8	Very low	31 Å²	31	98.4 Å²	98.4	26%	0.256	50%	0.498	S	S	.	.	H	α-helix	trans	-73.3	-42.5	165.9	0	0	0	0	0	111.2	G770 W771 L772 V778	G770-A774 WeakPolarHBondContact O-CA 3.46Å; G770-A774 WeakPolarHBondContact O-CB 3.49Å; G770-A774 PolarHBondContact O-N 3.46Å; W771-A774 PolarHBondContact O-N 2.9Å; L772-A774 VanDerWaalsContact C-N 3.27Å; L772-A774 PolarHBondContact O-N 2.97Å; A774-V778 WeakPolarHBondContact O-CB 3.24Å; A774-V778 WeakPolarHBondContact O-CG2 3.21Å; A774-V778 PolarHBondContact O-N 2.94Å
775	K	41.8	Very low	45.2	Very low	114 Å²	114	97.9 Å²	97.9	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-74.2	-57.3	178.8	-87.2	-174.8	169.4	-178.1	0	113.1	W771 L772 G777 V778 F779	W771-K775 HydrophobicContact CH2-CD 4.08Å; W771-K775 HydrophobicContact CZ2-CD 4.03Å; W771-K775 VanDerWaalsContact CZ2-NZ 3.32Å; W771-K775 HydrophobicContact CZ3-CD 4.37Å; W771-K775 PolarHBondContact O-N 3.01Å; L772-K775 CarbonylContact O-C 3.22Å; L772-K775 PolarHBondContact O-N 2.96Å; L772-K775 VanDerWaalsContact O-N 3.11Å; K775-G777 VanDerWaalsContact C-N 3.3Å; K775-G777 PolarHBondContact O-N 3.49Å; K775-V778 PolarHBondContact O-N 2.88Å; K775-F779 PolarHBondContact O-N 2.86Å
776	T	43.3	Very low	45.8	Very low	71 Å²	71	95.2 Å²	95.2	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-36.7	176.3	63.9	0	0	0	0	110.9	L772 F779 A780	L772-T776 HydrophobicContact CD2-CG2 3.64Å; L772-T776 HydrophobicContact CG-CG2 4.4Å; L772-T776 PolarHBondContact O-N 2.98Å; L772-T776 PolarHBondContact O-OG1 3.28Å; T776-F779 PolarHBondContact O-N 3.39Å; T776-A780 WeakPolarHBondContact O-CB 3.16Å; T776-A780 PolarHBondContact O-N 3.34Å
777	G	42.5	Very low	46.2	Very low	11 Å²	11	90.9 Å²	90.9	11%	0.113	47%	0.47	C	S	.	.	H	α-helix	trans	-68.4	-33.5	172.1	0	0	0	0	0	113.1	L773 K775 R781	L773-G777 WeakPolarHBondContact O-CA 3.39Å; L773-G777 PolarHBondContact O-N 2.86Å; K775-G777 VanDerWaalsContact C-N 3.3Å; K775-G777 PolarHBondContact O-N 3.49Å; G777-R781 WeakPolarHBondContact O-CA 3.2Å; G777-R781 WeakPolarHBondContact O-CB 3.16Å; G777-R781 VanDerWaalsContact O-CD 3.23Å; G777-R781 WeakPolarHBondContact O-CD 3.39Å; G777-R781 WeakPolarHBondContact O-CG 3.43Å; G777-R781 PolarHBondContact O-N 3.43Å
778	V	43.8	Very low	46.4	Very low	69 Å²	69	88 Å²	88	42%	0.418	46%	0.455	S	S	.	.	H	α-helix	trans	-70.5	-35	169.7	162.4	0	0	0	0	111.3	A774 K775 S782	A774-V778 WeakPolarHBondContact O-CB 3.24Å; A774-V778 WeakPolarHBondContact O-CG2 3.21Å; A774-V778 PolarHBondContact O-N 2.94Å; K775-V778 PolarHBondContact O-N 2.88Å; V778-S782 WeakPolarHBondContact O-CB 3.22Å; V778-S782 PolarHBondContact O-N 3.34Å; V778-S782 PolarHBondContact O-OG 2.92Å; V778-S782 VanDerWaalsContact O-OG 3.12Å
779	F	44.9	Very low	47	Very low	142 Å²	142	82.7 Å²	82.7	62%	0.623	44%	0.435	S	S	*	.	H	α-helix	trans	-74.3	-32.9	177.2	-133	-74.9	0	0	0	113.2	K775 T776 S782 R783	K775-F779 PolarHBondContact O-N 2.86Å; T776-F779 PolarHBondContact O-N 3.39Å; F779-S782 WeakPolarHBondContact CA-OG 3.36Å; F779-S782 PolarHBondContact O-OG 2.9Å; F779-S782 VanDerWaalsContact O-OG 3.09Å; F779-R783 WeakPolarHBondContact O-CB 3.36Å; F779-R783 PolarHBondContact O-N 3.37Å
780	A	44.8	Very low	47.7	Very low	62 Å²	62	84.9 Å²	84.9	51%	0.512	44%	0.44	S	S	.	.	H	α-helix	trans	-77.7	-37	173	0	0	0	0	0	111.2	T776 A784	T776-A780 WeakPolarHBondContact O-CB 3.16Å; T776-A780 PolarHBondContact O-N 3.34Å; A780-A784 VanDerWaalsContact O-CB 3.22Å; A780-A784 WeakPolarHBondContact O-CB 3.3Å; A780-A784 PolarHBondContact O-N 3.49Å
781	R	45.7	Very low	48	Very low	127 Å²	127	90.9 Å²	90.9	48%	0.479	45%	0.448	S	S	.	.	H	α-helix	trans	-72.5	-30.8	172.1	-69.5	164.5	-174.4	126.3	-2.3	112.2	G777 A784 L785	G777-R781 WeakPolarHBondContact O-CA 3.2Å; G777-R781 WeakPolarHBondContact O-CB 3.16Å; G777-R781 VanDerWaalsContact O-CD 3.23Å; G777-R781 WeakPolarHBondContact O-CD 3.39Å; G777-R781 WeakPolarHBondContact O-CG 3.43Å; G777-R781 PolarHBondContact O-N 3.43Å; R781-A784 PolarHBondContact O-N 3.46Å; R781-L785 WeakPolarHBondContact O-CB 3.11Å; R781-L785 WeakPolarHBondContact O-CD1 3.4Å; R781-L785 WeakPolarHBondContact O-CG 3.39Å; R781-L785 PolarHBondContact O-N 2.86Å
782	S	50.7	Low	48.2	Very low	56 Å²	56	86.3 Å²	86.3	39%	0.392	44%	0.438	S	S	.	.	H	α-helix	trans	-72.6	-38.4	171.7	68.9	0	0	0	0	111.3	V778 F779 L785 E786	V778-S782 WeakPolarHBondContact O-CB 3.22Å; V778-S782 PolarHBondContact O-N 3.34Å; V778-S782 PolarHBondContact O-OG 2.92Å; V778-S782 VanDerWaalsContact O-OG 3.12Å; F779-S782 WeakPolarHBondContact CA-OG 3.36Å; F779-S782 PolarHBondContact O-OG 2.9Å; F779-S782 VanDerWaalsContact O-OG 3.09Å; S782-L785 PolarHBondContact O-N 3.27Å; S782-E786 VanDerWaalsContact O-CB 3.32Å; S782-E786 WeakPolarHBondContact O-CB 3.42Å; S782-E786 PolarHBondContact O-N 3.11Å
783	R	50.5	Low	48.7	Very low	175 Å²	175	86 Å²	86	66%	0.66	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-41.4	166.4	-99.1	-164.9	172.3	103.1	-0.8	112.8	F779 E786 D787	F779-R783 WeakPolarHBondContact O-CB 3.36Å; F779-R783 PolarHBondContact O-N 3.37Å; R783-E786 PolarHBondContact O-N 3.19Å; R783-D787 WeakPolarHBondContact O-CB 3.46Å; R783-D787 PolarHBondContact O-N 3.24Å
784	A	49.3	Very low	48.9	Very low	57 Å²	57	85.4 Å²	85.4	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-70.9	-32.1	178.1	0	0	0	0	0	112.2	A780 R781 C788	A780-A784 VanDerWaalsContact O-CB 3.22Å; A780-A784 WeakPolarHBondContact O-CB 3.3Å; A780-A784 PolarHBondContact O-N 3.49Å; R781-A784 PolarHBondContact O-N 3.46Å; A784-C788 WeakPolarHBondContact O-CA 3.42Å; A784-C788 WeakPolarHBondContact O-CB 3.27Å; A784-C788 PolarHBondContact O-N 2.95Å
785	L	50	Low	49	Very low	78 Å²	78	88.1 Å²	88.1	41%	0.408	45%	0.45	S	S	.	.	H	α-helix	trans	-70.9	-33.5	169.8	-79.2	165.6	0	0	0	111.5	W194 R781 S782 R789	W194-L785 HydrophobicContact CE3-CD1 4.02Å; W194-L785 HydrophobicContact CZ3-CD1 4.35Å; R781-L785 WeakPolarHBondContact O-CB 3.11Å; R781-L785 WeakPolarHBondContact O-CD1 3.4Å; R781-L785 WeakPolarHBondContact O-CG 3.39Å; R781-L785 PolarHBondContact O-N 2.86Å; S782-L785 PolarHBondContact O-N 3.27Å; L785-R789 WeakPolarHBondContact O-CB 3.45Å; L785-R789 PolarHBondContact O-N 2.89Å
786	E	57.8	Low	49.2	Very low	65 Å²	65	85.8 Å²	85.8	30%	0.304	44%	0.443	S	S	.	.	H	α-helix	trans	-75.3	-41.5	174.3	-177.9	57.6	-161.6	0	0	111.9	S782 R783 C788 R789 Q790	S782-E786 VanDerWaalsContact O-CB 3.32Å; S782-E786 WeakPolarHBondContact O-CB 3.42Å; S782-E786 PolarHBondContact O-N 3.11Å; R783-E786 PolarHBondContact O-N 3.19Å; E786-C788 VanDerWaalsContact C-N 3.34Å; E786-R789 VanDerWaalsContact CD-NH2 3.33Å; E786-R789 CarbonylContact O-C 3.53Å; E786-R789 PolarHBondContact O-N 3.02Å; E786-R789 IonicContact OE1-CZ 3.34Å; E786-R789 IonicContact OE1-NE 2.74Å; E786-R789 IonicContact OE1-NH2 3.11Å; E786-R789 PolarHBondContact OE1-NH2 3.49Å; E786-R789 IonicContact OE2-CZ 2.65Å; E786-R789 IonicContact OE2-NE 3Å; E786-R789 PolarHBondContact OE2-NE 2.78Å; E786-R789 IonicContact OE2-NH2 3.36Å; E786-R789 PolarHBondContact OE2-NH2 2.93Å; E786-R789 VanDerWaalsContact OE2-NH2 3.11Å; E786-Q790 VanDerWaalsContact O-CB 3.29Å; E786-Q790 WeakPolarHBondContact O-CB 3.27Å; E786-Q790 VanDerWaalsContact O-CG 3.27Å; E786-Q790 WeakPolarHBondContact O-CG 3.45Å; E786-Q790 PolarHBondContact O-N 2.9Å; E786-Q790 PolarHBondContact OE1-NE2 3.44Å
787	D	53	Low	49.4	Very low	89 Å²	89	89.1 Å²	89.1	48%	0.476	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-38.8	170.4	-93.3	14.8	0	0	0	110.9	R783 Q790 R791	R783-D787 WeakPolarHBondContact O-CB 3.46Å; R783-D787 PolarHBondContact O-N 3.24Å; D787-Q790 PolarHBondContact O-N 2.7Å; D787-R791 VanDerWaalsContact O-CB 3.22Å; D787-R791 WeakPolarHBondContact O-CB 3.42Å; D787-R791 VanDerWaalsContact O-CG 3.24Å; D787-R791 WeakPolarHBondContact O-CG 3.47Å; D787-R791 PolarHBondContact O-N 3.26Å
788	C	47.9	Very low	49.5	Very low	66 Å²	66	93.6 Å²	93.6	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-68.7	-42.1	172.7	-170	0	0	0	0	110.5	A784 E786 Q790 R791 T792	A784-C788 WeakPolarHBondContact O-CA 3.42Å; A784-C788 WeakPolarHBondContact O-CB 3.27Å; A784-C788 PolarHBondContact O-N 2.95Å; E786-C788 VanDerWaalsContact C-N 3.34Å; C788-Q790 VanDerWaalsContact C-N 3.31Å; C788-Q790 PolarHBondContact O-N 2.87Å; C788-R791 PolarHBondContact O-N 3.33Å; C788-T792 WeakPolarHBondContact O-CA 3.49Å; C788-T792 WeakPolarHBondContact O-CB 3.49Å; C788-T792 PolarHBondContact O-N 3.4Å; C788-T792 PolarHBondContact O-OG1 2.96Å
789	R	53.1	Low	49.4	Very low	122 Å²	122	95 Å²	95	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-34.9	174.5	-169.9	-175.4	75.8	94.5	5.1	112	L785 E786 N793	L785-R789 WeakPolarHBondContact O-CB 3.45Å; L785-R789 PolarHBondContact O-N 2.89Å; E786-R789 VanDerWaalsContact CD-NH2 3.33Å; E786-R789 CarbonylContact O-C 3.53Å; E786-R789 PolarHBondContact O-N 3.02Å; E786-R789 IonicContact OE1-CZ 3.34Å; E786-R789 IonicContact OE1-NE 2.74Å; E786-R789 IonicContact OE1-NH2 3.11Å; E786-R789 PolarHBondContact OE1-NH2 3.49Å; E786-R789 IonicContact OE2-CZ 2.65Å; E786-R789 IonicContact OE2-NE 3Å; E786-R789 PolarHBondContact OE2-NE 2.78Å; E786-R789 IonicContact OE2-NH2 3.36Å; E786-R789 PolarHBondContact OE2-NH2 2.93Å; E786-R789 VanDerWaalsContact OE2-NH2 3.11Å; R789-N793 WeakPolarHBondContact O-CB 3.49Å; R789-N793 PolarHBondContact O-N 3.23Å; R789-N793 PolarHBondContact O-ND2 3.41Å
790	Q	59.3	Low	49.2	Very low	107 Å²	107	90.6 Å²	90.6	50%	0.5	46%	0.462	S	S	.	.	H	α-helix	trans	-77.7	-40.5	176.8	-74.6	-176.3	27.7	0	0	111.9	E786 D787 C788 N793 A794	E786-Q790 VanDerWaalsContact O-CB 3.29Å; E786-Q790 WeakPolarHBondContact O-CB 3.27Å; E786-Q790 VanDerWaalsContact O-CG 3.27Å; E786-Q790 WeakPolarHBondContact O-CG 3.45Å; E786-Q790 PolarHBondContact O-N 2.9Å; E786-Q790 PolarHBondContact OE1-NE2 3.44Å; D787-Q790 PolarHBondContact O-N 2.7Å; C788-Q790 VanDerWaalsContact C-N 3.31Å; C788-Q790 PolarHBondContact O-N 2.87Å; Q790-N793 CarbonylContact O-C 3.6Å; Q790-N793 PolarHBondContact O-N 3.13Å; Q790-A794 WeakPolarHBondContact O-CB 3.3Å; Q790-A794 PolarHBondContact O-N 2.96Å
791	R	50.2	Low	49.2	Very low	174 Å²	174	88.8 Å²	88.8	66%	0.657	45%	0.445	S	S	*	.	H	α-helix	trans	-65.1	-47.1	170.9	-76.3	-179.6	-176.2	-151.9	2	110.9	D787 C788 N793 A794 I795	D787-R791 VanDerWaalsContact O-CB 3.22Å; D787-R791 WeakPolarHBondContact O-CB 3.42Å; D787-R791 VanDerWaalsContact O-CG 3.24Å; D787-R791 WeakPolarHBondContact O-CG 3.47Å; D787-R791 PolarHBondContact O-N 3.26Å; C788-R791 PolarHBondContact O-N 3.33Å; R791-N793 VanDerWaalsContact C-N 3.31Å; R791-N793 PolarHBondContact O-N 2.93Å; R791-A794 CarbonylContact O-C 3.5Å; R791-A794 PolarHBondContact O-N 2.95Å; R791-I795 HydrophobicContact CB-CD1 4.44Å; R791-I795 WeakPolarHBondContact O-CB 3.38Å; R791-I795 WeakPolarHBondContact O-CG1 3.42Å; R791-I795 PolarHBondContact O-N 3.27Å
792	T	50.1	Low	48.9	Very low	60 Å²	60	87.8 Å²	87.8	37%	0.368	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-29.2	175.8	-61	0	0	0	0	111.6	C788 L796	C788-T792 WeakPolarHBondContact O-CA 3.49Å; C788-T792 WeakPolarHBondContact O-CB 3.49Å; C788-T792 PolarHBondContact O-N 3.4Å; C788-T792 PolarHBondContact O-OG1 2.96Å; T792-L796 HydrophobicContact CG2-CD1 3.7Å; T792-L796 WeakPolarHBondContact O-CA 3.47Å; T792-L796 WeakPolarHBondContact O-CB 3.49Å; T792-L796 WeakPolarHBondContact O-CD1 3.25Å; T792-L796 PolarHBondContact O-N 2.75Å
793	N	52.7	Low	48.4	Very low	65 Å²	65	93.9 Å²	93.9	35%	0.348	47%	0.465	S	S	.	.	H	α-helix	trans	-76.6	-27.6	166.4	-94	-51	0	0	0	114.1	R789 Q790 R791 K797	R789-N793 WeakPolarHBondContact O-CB 3.49Å; R789-N793 PolarHBondContact O-N 3.23Å; R789-N793 PolarHBondContact O-ND2 3.41Å; Q790-N793 CarbonylContact O-C 3.6Å; Q790-N793 PolarHBondContact O-N 3.13Å; R791-N793 VanDerWaalsContact C-N 3.31Å; R791-N793 PolarHBondContact O-N 2.93Å; N793-K797 WeakPolarHBondContact O-CB 3.4Å; N793-K797 WeakPolarHBondContact O-CG 3.26Å; N793-K797 PolarHBondContact O-N 3.2Å
794	A	51	Low	48.2	Very low	53 Å²	53	90.9 Å²	90.9	44%	0.438	46%	0.461	S	S	.	.	H	α-helix	trans	-76.8	-45.3	176.6	0	0	0	0	0	110.4	Q790 R791 K797 T798	Q790-A794 WeakPolarHBondContact O-CB 3.3Å; Q790-A794 PolarHBondContact O-N 2.96Å; R791-A794 CarbonylContact O-C 3.5Å; R791-A794 PolarHBondContact O-N 2.95Å; A794-K797 CarbonylContact O-C 3.48Å; A794-K797 WeakPolarHBondContact O-CA 3.49Å; A794-K797 PolarHBondContact O-N 3.38Å; A794-T798 PolarHBondContact O-N 2.98Å; A794-T798 PolarHBondContact O-OG1 3.01Å
795	I	46.7	Very low	48.3	Very low	88 Å²	88	89.6 Å²	89.6	45%	0.451	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-48.8	168.2	-66	166.3	0	0	0	109.2	R791 K797 T798 I799	R791-I795 HydrophobicContact CB-CD1 4.44Å; R791-I795 WeakPolarHBondContact O-CB 3.38Å; R791-I795 WeakPolarHBondContact O-CG1 3.42Å; R791-I795 PolarHBondContact O-N 3.27Å; I795-K797 PolarHBondContact O-N 2.74Å; I795-T798 PolarHBondContact O-N 3.4Å; I795-T798 PolarHBondContact O-OG1 3.25Å; I795-I799 HydrophobicContact CG2-CD1 3.6Å; I795-I799 HydrophobicContact CG2-CG1 4.18Å; I795-I799 WeakPolarHBondContact O-CA 3.43Å; I795-I799 WeakPolarHBondContact O-CB 3.3Å; I795-I799 WeakPolarHBondContact O-CG1 3.44Å; I795-I799 PolarHBondContact O-N 3.49Å
796	L	45.1	Very low	48.5	Very low	65 Å²	65	90.2 Å²	90.2	34%	0.34	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-21.9	169.8	-98.7	89.9	0	0	0	112.1	T792 Q800	T792-L796 HydrophobicContact CG2-CD1 3.7Å; T792-L796 WeakPolarHBondContact O-CA 3.47Å; T792-L796 WeakPolarHBondContact O-CB 3.49Å; T792-L796 WeakPolarHBondContact O-CD1 3.25Å; T792-L796 PolarHBondContact O-N 2.75Å; L796-Q800 WeakPolarHBondContact O-CA 3.39Å; L796-Q800 WeakPolarHBondContact O-CB 3.28Å; L796-Q800 WeakPolarHBondContact O-CG 3.46Å; L796-Q800 PolarHBondContact O-N 3.35Å; L796-Q800 PolarHBondContact O-OE1 2.73Å
797	K	48.2	Very low	48.3	Very low	140 Å²	140	90.8 Å²	90.8	61%	0.609	45%	0.453	S	S	*	.	H	α-helix	trans	-85.8	-25.1	175	-82.9	172.9	179.4	-177.3	0	114.1	N793 A794 I795	N793-K797 WeakPolarHBondContact O-CB 3.4Å; N793-K797 WeakPolarHBondContact O-CG 3.26Å; N793-K797 PolarHBondContact O-N 3.2Å; A794-K797 CarbonylContact O-C 3.48Å; A794-K797 WeakPolarHBondContact O-CA 3.49Å; A794-K797 PolarHBondContact O-N 3.38Å; I795-K797 PolarHBondContact O-N 2.74Å
798	T	44.1	Very low	48.5	Very low	105 Å²	105	91 Å²	91	64%	0.644	45%	0.453	S	S	*	.	H	α-helix	trans	-89	-26.6	173.6	55.2	0	0	0	0	112.8	A794 I795	A794-T798 PolarHBondContact O-N 2.98Å; A794-T798 PolarHBondContact O-OG1 3.01Å; I795-T798 PolarHBondContact O-N 3.4Å; I795-T798 PolarHBondContact O-OG1 3.25Å
799	I	42	Very low	49	Very low	99 Å²	99	89.1 Å²	89.1	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-99.4	-12.5	174	-53.7	-174.8	0	0	0	111.6	I795	I795-I799 HydrophobicContact CG2-CD1 3.6Å; I795-I799 HydrophobicContact CG2-CG1 4.18Å; I795-I799 WeakPolarHBondContact O-CA 3.43Å; I795-I799 WeakPolarHBondContact O-CB 3.3Å; I795-I799 WeakPolarHBondContact O-CG1 3.44Å; I795-I799 PolarHBondContact O-N 3.49Å
800	Q	40.9	Very low	49.4	Very low	49 Å²	49	90.2 Å²	90.2	23%	0.229	44%	0.443	C	S	.	.	S	Bend	trans	-53.9	156.9	168.6	-106.7	157.7	12.2	0	0	110	L796 N802 P927	L796-Q800 WeakPolarHBondContact O-CA 3.39Å; L796-Q800 WeakPolarHBondContact O-CB 3.28Å; L796-Q800 WeakPolarHBondContact O-CG 3.46Å; L796-Q800 PolarHBondContact O-N 3.35Å; L796-Q800 PolarHBondContact O-OE1 2.73Å; Q800-N802 PolarHBondContact O-N 2.97Å; Q800-P927 HydrophobicContact CG-CB 4.4Å
801	P	44.4	Very low	49.5	Very low	25 Å²	25	91.5 Å²	91.5	16%	0.162	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	79	-163	32.1	-35.8	0	0	0	110.5	N805 V925	P801-N805 VanDerWaalsContact CA-CB 3.48Å; P801-N805 HydrophobicContact CB-CB 3.39Å; P801-N805 WeakPolarHBondContact O-CB 3.37Å; P801-N805 PolarHBondContact O-ND2 3.42Å; P801-V925 HydrophobicContact CB-CB 3.92Å; P801-V925 HydrophobicContact CB-CG1 4.08Å; P801-V925 HydrophobicContact CG-CB 3.99Å; P801-V925 HydrophobicContact CG-CG1 3.94Å; P801-V925 WeakPolarHBondContact CG-O 3.42Å
802	N	39.9	Very low	49.8	Very low	105 Å²	105	84 Å²	84	56%	0.561	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-55.4	171.5	-88.4	-27.7	0	0	0	109.1	Q800 M806	Q800-N802 PolarHBondContact O-N 2.97Å; N802-M806 WeakPolarHBondContact O-CA 3.01Å; N802-M806 WeakPolarHBondContact O-CB 3.48Å; N802-M806 WeakPolarHBondContact O-CG 3.32Å; N802-M806 PolarHBondContact O-N 3.03Å
803	Y	40.7	Very low	50.4	Low	185 Å²	185	86.3 Å²	86.3	73%	0.725	42%	0.424	S	S	*	.	I	π-helix	trans	-69.6	-60.6	178.6	-156.4	-104.6	0	0	0	111.3	N805 D807	Y803-N805 VanDerWaalsContact C-N 3.26Å; Y803-N805 PolarHBondContact O-N 2.87Å; Y803-D807 PolarHBondContact O-N 3.08Å
804	I	46.5	Very low	51	Low	112 Å²	112	90 Å²	90	57%	0.574	44%	0.438	S	S	*	.	I	π-helix	trans	-61.4	-35.9	176.6	-59.4	172.8	0	0	0	111.3	L808	I804-L808 WeakPolarHBondContact O-CB 3.37Å; I804-L808 PolarHBondContact O-N 2.79Å
805	N	50.7	Low	51.5	Low	29 Å²	29	89.2 Å²	89.2	16%	0.155	43%	0.426	C	S	.	.	I	π-helix	trans	-92.5	-31.7	-168.7	-169.4	52	0	0	0	114.1	P801 Y803 I809	P801-N805 VanDerWaalsContact CA-CB 3.48Å; P801-N805 HydrophobicContact CB-CB 3.39Å; P801-N805 WeakPolarHBondContact O-CB 3.37Å; P801-N805 PolarHBondContact O-ND2 3.42Å; Y803-N805 VanDerWaalsContact C-N 3.26Å; Y803-N805 PolarHBondContact O-N 2.87Å; N805-I809 VanDerWaalsContact O-CB 3.24Å; N805-I809 WeakPolarHBondContact O-CB 3.38Å; N805-I809 WeakPolarHBondContact O-CG1 3.37Å; N805-I809 WeakPolarHBondContact OD1-CD1 3.39Å
806	M	53.4	Low	52	Low	91 Å²	91	85.9 Å²	85.9	45%	0.448	41%	0.412	S	S	.	.	I	π-helix	trans	-75.6	-51.3	173	-64.1	-69	-77	0	0	109	N802 R810	N802-M806 WeakPolarHBondContact O-CA 3.01Å; N802-M806 WeakPolarHBondContact O-CB 3.48Å; N802-M806 WeakPolarHBondContact O-CG 3.32Å; N802-M806 PolarHBondContact O-N 3.03Å; M806-R810 WeakPolarHBondContact O-CA 3.48Å; M806-R810 WeakPolarHBondContact O-CB 3.37Å; M806-R810 PolarHBondContact O-N 3.41Å
807	D	55.6	Low	52.8	Low	77 Å²	77	85.6 Å²	85.6	41%	0.412	42%	0.419	S	S	.	.	I	π-helix	trans	-82.5	-38.3	-169.5	-65.9	-33.2	0	0	0	113.4	Y803 R810 Y811	Y803-D807 PolarHBondContact O-N 3.08Å; D807-R810 IonicContact OD1-CZ 3.62Å; D807-R810 IonicContact OD1-NH1 3.67Å; D807-R810 PolarHBondContact OD1-NH1 2.96Å; D807-Y811 WeakPolarHBondContact O-CB 3.27Å; D807-Y811 PolarHBondContact O-N 3.46Å
808	L	56.2	Low	53.7	Low	93 Å²	93	82.3 Å²	82.3	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-43.1	173.4	-165.7	70.7	0	0	0	111.8	I220 I804 A812	I220-L808 HydrophobicContact CD1-CD2 4.26Å; I804-L808 WeakPolarHBondContact O-CB 3.37Å; I804-L808 PolarHBondContact O-N 2.79Å; L808-A812 VanDerWaalsContact O-CB 3.29Å; L808-A812 WeakPolarHBondContact O-CB 3.11Å; L808-A812 PolarHBondContact O-N 3.43Å
809	I	58.1	Low	54.4	Low	27 Å²	27	78.5 Å²	78.5	14%	0.138	38%	0.379	C	S	.	.	H	α-helix	trans	-78.1	-31.1	180	-51.7	-171.8	0	0	0	111.6	N805 K813 F922	N805-I809 VanDerWaalsContact O-CB 3.24Å; N805-I809 WeakPolarHBondContact O-CB 3.38Å; N805-I809 WeakPolarHBondContact O-CG1 3.37Å; N805-I809 WeakPolarHBondContact OD1-CD1 3.39Å; I809-K813 HydrophobicContact CG2-CD 3.91Å; I809-K813 HydrophobicContact CG2-CG 4.15Å; I809-K813 WeakPolarHBondContact O-CB 3.42Å; I809-K813 WeakPolarHBondContact O-CG 3.29Å; I809-K813 PolarHBondContact O-N 2.94Å; I809-F922 HydrophobicContact CG2-CB 3.78Å; I809-F922 HydrophobicContact CG2-CD2 4.1Å; I809-F922 HydrophobicContact CG2-CG 3.95Å
810	R	61.4	Low	55.3	Low	145 Å²	145	74.5 Å²	74.5	55%	0.547	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-43.6	169.5	177.1	-174.6	-76.7	140.6	-12.1	110.5	M806 D807 K813 F814	M806-R810 WeakPolarHBondContact O-CA 3.48Å; M806-R810 WeakPolarHBondContact O-CB 3.37Å; M806-R810 PolarHBondContact O-N 3.41Å; D807-R810 IonicContact OD1-CZ 3.62Å; D807-R810 IonicContact OD1-NH1 3.67Å; D807-R810 PolarHBondContact OD1-NH1 2.96Å; R810-K813 PolarHBondContact O-N 3.28Å; R810-F814 WeakPolarHBondContact O-CB 3.44Å; R810-F814 PolarHBondContact O-N 3.39Å
811	Y	61.2	Low	56.4	Low	134 Å²	134	79.2 Å²	79.2	53%	0.525	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-48.7	176.4	-174.3	-104.9	0	0	0	111.4	I315 D807 K813 F814 N815	I315-Y811 HydrophobicContact CD1-CE1 4.5Å; D807-Y811 WeakPolarHBondContact O-CB 3.27Å; D807-Y811 PolarHBondContact O-N 3.46Å; Y811-K813 PolarHBondContact O-N 3.5Å; Y811-F814 PolarHBondContact O-N 2.95Å; Y811-N815 WeakPolarHBondContact CE1-ND2 3.29Å; Y811-N815 VanDerWaalsContact CZ-ND2 3.28Å; Y811-N815 WeakPolarHBondContact O-CB 3.37Å; Y811-N815 PolarHBondContact O-N 3.42Å; Y811-N815 PolarHBondContact OH-ND2 3.27Å
812	A	57.2	Low	57.2	Low	17 Å²	17	84 Å²	84	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-40.7	175.3	0	0	0	0	0	112.9	L808 A816 F922	L808-A812 VanDerWaalsContact O-CB 3.29Å; L808-A812 WeakPolarHBondContact O-CB 3.11Å; L808-A812 PolarHBondContact O-N 3.43Å; A812-A816 VanDerWaalsContact O-CB 3.25Å; A812-A816 WeakPolarHBondContact O-CB 3.34Å; A812-A816 PolarHBondContact O-N 3.33Å; A812-F922 HydrophobicContact CB-CE2 4.34Å; A812-F922 HydrophobicContact CB-CZ 4.09Å
813	K	62.6	Low	58.1	Low	108 Å²	108	79.6 Å²	79.6	47%	0.47	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-38.1	174.4	-76.6	173.9	178.3	171.5	0	112.7	I809 R810 Y811 A817 F922	I809-K813 HydrophobicContact CG2-CD 3.91Å; I809-K813 HydrophobicContact CG2-CG 4.15Å; I809-K813 WeakPolarHBondContact O-CB 3.42Å; I809-K813 WeakPolarHBondContact O-CG 3.29Å; I809-K813 PolarHBondContact O-N 2.94Å; R810-K813 PolarHBondContact O-N 3.28Å; Y811-K813 PolarHBondContact O-N 3.5Å; K813-A817 WeakPolarHBondContact O-CB 3.24Å; K813-A817 PolarHBondContact O-N 2.97Å; K813-F922 HydrophobicContact CD-CD2 4.45Å; K813-F922 HydrophobicContact CG-CD2 3.73Å; K813-F922 HydrophobicContact CG-CE2 4.03Å
814	F	64.5	Low	59.3	Low	144 Å²	144	73.6 Å²	73.6	63%	0.632	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-45.5	177.3	-178.9	-97.1	0	0	0	111	R810 Y811 A817 K818	R810-F814 WeakPolarHBondContact O-CB 3.44Å; R810-F814 PolarHBondContact O-N 3.39Å; Y811-F814 PolarHBondContact O-N 2.95Å; F814-A817 PolarHBondContact O-N 2.92Å; F814-K818 PolarHBondContact O-N 3.19Å
815	N	61.6	Low	60.3	Low	36 Å²	36	71.1 Å²	71.1	19%	0.193	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-50.7	174.5	-70.8	7.6	0	0	0	110.7	Y811 A817 K818 E819	Y811-N815 WeakPolarHBondContact CE1-ND2 3.29Å; Y811-N815 VanDerWaalsContact CZ-ND2 3.28Å; Y811-N815 WeakPolarHBondContact O-CB 3.37Å; Y811-N815 PolarHBondContact O-N 3.42Å; Y811-N815 PolarHBondContact OH-ND2 3.27Å; N815-A817 VanDerWaalsContact C-N 3.27Å; N815-A817 PolarHBondContact O-N 3.37Å; N815-K818 WeakPolarHBondContact O-CA 3.36Å; N815-K818 WeakPolarHBondContact O-CB 3.41Å; N815-K818 PolarHBondContact O-N 3.49Å; N815-E819 WeakPolarHBondContact O-CG 3.29Å; N815-E819 PolarHBondContact O-N 3.43Å
816	A	57.6	Low	60.9	Low	18 Å²	18	73.4 Å²	73.4	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-37.1	176.6	0	0	0	0	0	112.8	Y227 A812 A820	Y227-A816 HydrophobicContact CE2-CB 4.38Å; Y227-A816 PolarHBondContact OH-O 3.2Å; A812-A816 VanDerWaalsContact O-CB 3.25Å; A812-A816 WeakPolarHBondContact O-CB 3.34Å; A812-A816 PolarHBondContact O-N 3.33Å; A816-A820 VanDerWaalsContact O-CB 3.24Å; A816-A820 WeakPolarHBondContact O-CB 3.3Å; A816-A820 PolarHBondContact O-N 3.02Å
817	A	63	Low	61.2	Low	59 Å²	59	70 Å²	70	49%	0.488	33%	0.332	S	S	.	.	H	α-helix	trans	-69.6	-36	174.3	0	0	0	0	0	113.1	K813 F814 N815 Y821	K813-A817 WeakPolarHBondContact O-CB 3.24Å; K813-A817 PolarHBondContact O-N 2.97Å; F814-A817 PolarHBondContact O-N 2.92Å; N815-A817 VanDerWaalsContact C-N 3.27Å; N815-A817 PolarHBondContact O-N 3.37Å; A817-Y821 WeakPolarHBondContact O-CB 3.45Å; A817-Y821 PolarHBondContact O-N 2.81Å
818	K	66	Low	61.5	Low	70 Å²	70	71 Å²	71	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-57	169.5	176	-169.5	167.6	-103.2	0	109.5	E319 F814 N815 A820 Y821 W822	E319-K818 IonicContact OE1-NZ 2.67Å; E319-K818 PolarHBondContact OE1-NZ 3.26Å; F814-K818 PolarHBondContact O-N 3.19Å; N815-K818 WeakPolarHBondContact O-CA 3.36Å; N815-K818 WeakPolarHBondContact O-CB 3.41Å; N815-K818 PolarHBondContact O-N 3.49Å; K818-A820 VanDerWaalsContact C-N 3.33Å; K818-A820 PolarHBondContact O-N 3.44Å; K818-Y821 WeakPolarHBondContact O-CA 3.49Å; K818-Y821 WeakPolarHBondContact O-CB 3.37Å; K818-Y821 PolarHBondContact O-N 2.88Å; K818-W822 VanDerWaalsContact O-CD1 3.29Å; K818-W822 PolarHBondContact O-N 3.05Å
819	E	59.4	Low	61.8	Low	25 Å²	25	74 Å²	74	12%	0.117	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-43	-177.1	-60.9	-51.5	122	0	0	111.5	Y227 I318 N815 Y821 W822 I823	Y227-E819 HydrophobicContact CD1-CB 4.45Å; Y227-E819 HydrophobicContact CE1-CB 4.05Å; I318-E819 HydrophobicContact CD1-CB 4.32Å; I318-E819 HydrophobicContact CD1-CG 4.13Å; N815-E819 WeakPolarHBondContact O-CG 3.29Å; N815-E819 PolarHBondContact O-N 3.43Å; E819-Y821 VanDerWaalsContact C-N 3.33Å; E819-Y821 PolarHBondContact O-N 2.91Å; E819-W822 PolarHBondContact O-N 2.81Å; E819-I823 WeakPolarHBondContact O-CB 3.24Å; E819-I823 VanDerWaalsContact O-CG1 3.26Å; E819-I823 WeakPolarHBondContact O-CG1 3.49Å; E819-I823 PolarHBondContact O-N 2.91Å
820	A	59.9	Low	62	Low	16 Å²	16	74.6 Å²	74.6	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-35.6	173.1	0	0	0	0	0	113.3	A816 K818 N824 T917	A816-A820 VanDerWaalsContact O-CB 3.24Å; A816-A820 WeakPolarHBondContact O-CB 3.3Å; A816-A820 PolarHBondContact O-N 3.02Å; K818-A820 VanDerWaalsContact C-N 3.33Å; K818-A820 PolarHBondContact O-N 3.44Å; A820-N824 WeakPolarHBondContact O-CB 3.14Å; A820-N824 PolarHBondContact O-N 2.81Å; A820-N824 PolarHBondContact O-ND2 3.22Å; A820-T917 HydrophobicContact CB-CG2 4.39Å
821	Y	65.1	Low	62	Low	147 Å²	147	70.8 Å²	70.8	58%	0.576	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-46.7	173.6	179	-89.9	0	0	0	111.6	A817 K818 E819 N824 Q825	A817-Y821 WeakPolarHBondContact O-CB 3.45Å; A817-Y821 PolarHBondContact O-N 2.81Å; K818-Y821 WeakPolarHBondContact O-CA 3.49Å; K818-Y821 WeakPolarHBondContact O-CB 3.37Å; K818-Y821 PolarHBondContact O-N 2.88Å; E819-Y821 VanDerWaalsContact C-N 3.33Å; E819-Y821 PolarHBondContact O-N 2.91Å; Y821-N824 PolarHBondContact O-N 3.28Å; Y821-Q825 WeakPolarHBondContact O-CB 3.3Å; Y821-Q825 PolarHBondContact O-N 2.91Å
822	W	59.9	Low	62.2	Low	125 Å²	125	69.5 Å²	69.5	47%	0.473	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-42.9	178.3	-80.6	84.7	0	0	0	112.2	K818 E819 Q825 L826	K818-W822 VanDerWaalsContact O-CD1 3.29Å; K818-W822 PolarHBondContact O-N 3.05Å; E819-W822 PolarHBondContact O-N 2.81Å; W822-Q825 PolarHBondContact O-N 3.2Å; W822-L826 WeakPolarHBondContact O-CB 3.42Å; W822-L826 WeakPolarHBondContact O-CG 3.49Å; W822-L826 PolarHBondContact O-N 3.28Å
823	I	60.5	Low	62.2	Low	13 Å²	13	72.2 Å²	72.2	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-42.4	176.4	-68.2	165.7	0	0	0	111.3	Y227 E819 L826 T827 T917	Y227-I823 HydrophobicContact CD1-CD1 3.85Å; Y227-I823 HydrophobicContact CE1-CD1 4Å; E819-I823 WeakPolarHBondContact O-CB 3.24Å; E819-I823 VanDerWaalsContact O-CG1 3.26Å; E819-I823 WeakPolarHBondContact O-CG1 3.49Å; E819-I823 PolarHBondContact O-N 2.91Å; I823-L826 PolarHBondContact O-N 3.48Å; I823-T827 WeakPolarHBondContact O-CB 3.23Å; I823-T827 PolarHBondContact O-N 3.19Å; I823-T827 PolarHBondContact O-OG1 3.04Å; I823-T917 HydrophobicContact CB-CG2 4.1Å; I823-T917 HydrophobicContact CG2-CG2 3.76Å
824	N	65.3	Low	62.1	Low	59 Å²	59	69.5 Å²	69.5	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-41.9	172.8	-82.3	-61.6	0	0	0	111.6	A820 Y821 T827 N828 T917	A820-N824 WeakPolarHBondContact O-CB 3.14Å; A820-N824 PolarHBondContact O-N 2.81Å; A820-N824 PolarHBondContact O-ND2 3.22Å; Y821-N824 PolarHBondContact O-N 3.28Å; N824-T827 PolarHBondContact O-N 3.36Å; N824-N828 WeakPolarHBondContact O-CB 3.3Å; N824-N828 PolarHBondContact O-N 3.24Å; N824-N828 PolarHBondContact O-ND2 3.35Å; N824-N828 PolarHBondContact O-OD1 2.86Å; N824-T917 WeakPolarHBondContact ND2-CG2 3.41Å; N824-T917 PolarHBondContact ND2-OG1 2.91Å
825	Q	67.5	Low	62.1	Low	60 Å²	60	65.6 Å²	65.6	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-39.7	179.3	-169.4	176.2	30.2	0	0	112.2	Y821 W822 R829	Y821-Q825 WeakPolarHBondContact O-CB 3.3Å; Y821-Q825 PolarHBondContact O-N 2.91Å; W822-Q825 PolarHBondContact O-N 3.2Å; Q825-R829 WeakPolarHBondContact O-CB 3.34Å; Q825-R829 VanDerWaalsContact O-CG 3.27Å; Q825-R829 WeakPolarHBondContact O-CG 3.41Å; Q825-R829 PolarHBondContact O-N 3.41Å
826	L	62.3	Low	62.3	Low	77 Å²	77	68.7 Å²	68.7	40%	0.403	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-46.3	172.8	-74.2	167.9	0	0	0	111.4	W822 I823 N828 R829 L830	W822-L826 WeakPolarHBondContact O-CB 3.42Å; W822-L826 WeakPolarHBondContact O-CG 3.49Å; W822-L826 PolarHBondContact O-N 3.28Å; I823-L826 PolarHBondContact O-N 3.48Å; L826-N828 PolarHBondContact O-N 2.86Å; L826-R829 PolarHBondContact O-N 3.44Å; L826-L830 WeakPolarHBondContact O-CD1 3.44Å; L826-L830 VanDerWaalsContact O-CG 3.32Å; L826-L830 WeakPolarHBondContact O-CG 3.4Å; L826-L830 PolarHBondContact O-N 2.99Å
827	T	60.6	Low	62.4	Low	19 Å²	19	70.8 Å²	70.8	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-48.7	178.6	-53.8	0	0	0	0	111.3	I823 N824 R829 L830 E831 L915	I823-T827 WeakPolarHBondContact O-CB 3.23Å; I823-T827 PolarHBondContact O-N 3.19Å; I823-T827 PolarHBondContact O-OG1 3.04Å; N824-T827 PolarHBondContact O-N 3.36Å; T827-R829 VanDerWaalsContact C-N 3.29Å; T827-R829 PolarHBondContact O-N 2.85Å; T827-L830 PolarHBondContact O-N 2.89Å; T827-L830 VanDerWaalsContact O-N 3.15Å; T827-E831 PolarHBondContact O-N 3.38Å; T827-L915 HydrophobicContact CG2-CB 3.91Å; T827-L915 HydrophobicContact CG2-CD2 4Å; T827-L915 WeakPolarHBondContact OG1-CD2 3.44Å
828	N	62	Low	62.3	Low	99 Å²	99	69 Å²	69	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-34.8	177.6	-67	-10.5	0	0	0	112.1	N824 L826 H832	N824-N828 WeakPolarHBondContact O-CB 3.3Å; N824-N828 PolarHBondContact O-N 3.24Å; N824-N828 PolarHBondContact O-ND2 3.35Å; N824-N828 PolarHBondContact O-OD1 2.86Å; L826-N828 PolarHBondContact O-N 2.86Å; N828-H832 VanDerWaalsContact O-CB 3.31Å; N828-H832 WeakPolarHBondContact O-CB 3.33Å; N828-H832 PolarHBondContact O-N 2.92Å
829	R	62.1	Low	62.2	Low	157 Å²	157	68 Å²	68	59%	0.592	32%	0.324	S	S	*	.	H	α-helix	trans	-68.6	-39.5	173.4	-80.2	176.1	171	-167.4	-2.4	112.1	Q825 L826 T827 H832 V833	Q825-R829 WeakPolarHBondContact O-CB 3.34Å; Q825-R829 VanDerWaalsContact O-CG 3.27Å; Q825-R829 WeakPolarHBondContact O-CG 3.41Å; Q825-R829 PolarHBondContact O-N 3.41Å; L826-R829 PolarHBondContact O-N 3.44Å; T827-R829 VanDerWaalsContact C-N 3.29Å; T827-R829 PolarHBondContact O-N 2.85Å; R829-H832 PolarHBondContact O-N 3.37Å; R829-V833 WeakPolarHBondContact O-CB 3.17Å; R829-V833 VanDerWaalsContact O-CG2 3.31Å; R829-V833 WeakPolarHBondContact O-CG2 3.25Å; R829-V833 PolarHBondContact O-N 3.1Å
830	L	61.3	Low	62.4	Low	38 Å²	38	72.2 Å²	72.2	20%	0.199	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-46.2	176.5	-72.1	156.6	0	0	0	111.5	L234 M238 L826 T827 H832 V833 Q834	L234-L830 HydrophobicContact CD1-CD1 3.99Å; M238-L830 HydrophobicContact CE-CD1 3.57Å; M238-L830 HydrophobicContact CE-CD2 4.22Å; M238-L830 HydrophobicContact CE-CG 4.48Å; L826-L830 WeakPolarHBondContact O-CD1 3.44Å; L826-L830 VanDerWaalsContact O-CG 3.32Å; L826-L830 WeakPolarHBondContact O-CG 3.4Å; L826-L830 PolarHBondContact O-N 2.99Å; T827-L830 PolarHBondContact O-N 2.89Å; T827-L830 VanDerWaalsContact O-N 3.15Å; L830-H832 VanDerWaalsContact C-N 3.29Å; L830-H832 PolarHBondContact O-N 2.93Å; L830-V833 PolarHBondContact O-N 3.41Å; L830-Q834 VanDerWaalsContact O-CB 3.28Å; L830-Q834 WeakPolarHBondContact O-CB 3.2Å; L830-Q834 PolarHBondContact O-N 3Å
831	E	63.1	Low	62.5	Low	66 Å²	66	75.7 Å²	75.7	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-37.2	173.8	-69.2	-160.5	124	0	0	111.8	T827 T835 K902	T827-E831 PolarHBondContact O-N 3.38Å; E831-T835 WeakPolarHBondContact O-CB 3.34Å; E831-T835 WeakPolarHBondContact O-CG2 3.5Å; E831-T835 PolarHBondContact O-N 3.07Å; E831-T835 PolarHBondContact O-OG1 2.86Å; E831-K902 IonicContact OE1-NZ 2.93Å; E831-K902 PolarHBondContact OE1-NZ 2.82Å
832	H	63.7	Low	62.5	Low	106 Å²	106	69.3 Å²	69.3	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-69.4	-44.4	176.9	-167.9	38	0	0	0	112.8	N828 R829 L830 T835 Q836	N828-H832 VanDerWaalsContact O-CB 3.31Å; N828-H832 WeakPolarHBondContact O-CB 3.33Å; N828-H832 PolarHBondContact O-N 2.92Å; R829-H832 PolarHBondContact O-N 3.37Å; L830-H832 VanDerWaalsContact C-N 3.29Å; L830-H832 PolarHBondContact O-N 2.93Å; H832-T835 WeakPolarHBondContact CA-OG1 3.24Å; H832-T835 PolarHBondContact O-N 3.43Å; H832-T835 PolarHBondContact O-OG1 3.12Å; H832-T835 VanDerWaalsContact O-OG1 3.06Å; H832-Q836 PolarHBondContact NE2-NE2 3.28Å; H832-Q836 WeakPolarHBondContact O-CB 3.27Å; H832-Q836 WeakPolarHBondContact O-CG 3.28Å; H832-Q836 PolarHBondContact O-N 3Å
833	V	58.2	Low	62.6	Low	75 Å²	75	64.5 Å²	64.5	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-42	176.3	168.6	0	0	0	0	110.8	R829 L830 T835 Q836 I837	R829-V833 WeakPolarHBondContact O-CB 3.17Å; R829-V833 VanDerWaalsContact O-CG2 3.31Å; R829-V833 WeakPolarHBondContact O-CG2 3.25Å; R829-V833 PolarHBondContact O-N 3.1Å; L830-V833 PolarHBondContact O-N 3.41Å; V833-T835 PolarHBondContact O-N 3.23Å; V833-Q836 PolarHBondContact O-N 3.06Å; V833-I837 HydrophobicContact CG1-CD1 3.66Å; V833-I837 HydrophobicContact CG1-CG1 4.35Å; V833-I837 WeakPolarHBondContact O-CB 3.38Å; V833-I837 VanDerWaalsContact O-CG1 3.29Å; V833-I837 WeakPolarHBondContact O-CG1 3.47Å; V833-I837 PolarHBondContact O-N 2.97Å
834	Q	61.1	Low	62.6	Low	51 Å²	51	68.3 Å²	68.3	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-47.6	175.2	-176.8	179.7	4.8	0	0	111.4	L830 I837 Q838	L830-Q834 VanDerWaalsContact O-CB 3.28Å; L830-Q834 WeakPolarHBondContact O-CB 3.2Å; L830-Q834 PolarHBondContact O-N 3Å; Q834-I837 PolarHBondContact O-N 3.02Å; Q834-Q838 WeakPolarHBondContact O-CB 3.42Å; Q834-Q838 VanDerWaalsContact O-CG 3.25Å; Q834-Q838 WeakPolarHBondContact O-CG 3.22Å; Q834-Q838 PolarHBondContact O-N 2.84Å
835	T	63.9	Low	62.5	Low	62 Å²	62	67.3 Å²	67.3	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-69.1	-32.6	179.2	48.3	0	0	0	0	112.9	E831 H832 V833 L839	E831-T835 WeakPolarHBondContact O-CB 3.34Å; E831-T835 WeakPolarHBondContact O-CG2 3.5Å; E831-T835 PolarHBondContact O-N 3.07Å; E831-T835 PolarHBondContact O-OG1 2.86Å; H832-T835 WeakPolarHBondContact CA-OG1 3.24Å; H832-T835 PolarHBondContact O-N 3.43Å; H832-T835 PolarHBondContact O-OG1 3.12Å; H832-T835 VanDerWaalsContact O-OG1 3.06Å; V833-T835 PolarHBondContact O-N 3.23Å; T835-L839 VanDerWaalsContact O-CB 3.23Å; T835-L839 WeakPolarHBondContact O-CB 3.47Å; T835-L839 PolarHBondContact O-N 3.26Å
836	Q	65.1	Low	62.4	Low	100 Å²	100	64.8 Å²	64.8	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-66.9	-46.8	171.8	-79.3	-177.5	-31.9	0	0	112.4	H832 V833 Q838 L839 Q840	H832-Q836 PolarHBondContact NE2-NE2 3.28Å; H832-Q836 WeakPolarHBondContact O-CB 3.27Å; H832-Q836 WeakPolarHBondContact O-CG 3.28Å; H832-Q836 PolarHBondContact O-N 3Å; V833-Q836 PolarHBondContact O-N 3.06Å; Q836-Q838 VanDerWaalsContact C-N 3.35Å; Q836-Q838 PolarHBondContact O-N 3.26Å; Q836-L839 PolarHBondContact O-N 3.23Å; Q836-Q840 WeakPolarHBondContact O-CB 3.49Å; Q836-Q840 PolarHBondContact O-N 3.06Å
837	I	60.6	Low	62.4	Low	62 Å²	62	65.9 Å²	65.9	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-43.8	177.3	-69	168.1	0	0	0	110.5	V833 Q834 Q840 F841	V833-I837 HydrophobicContact CG1-CD1 3.66Å; V833-I837 HydrophobicContact CG1-CG1 4.35Å; V833-I837 WeakPolarHBondContact O-CB 3.38Å; V833-I837 VanDerWaalsContact O-CG1 3.29Å; V833-I837 WeakPolarHBondContact O-CG1 3.47Å; V833-I837 PolarHBondContact O-N 2.97Å; Q834-I837 PolarHBondContact O-N 3.02Å; I837-Q840 PolarHBondContact O-N 3.36Å; I837-F841 VanDerWaalsContact O-CB 3.3Å; I837-F841 WeakPolarHBondContact O-CB 3.2Å; I837-F841 PolarHBondContact O-N 3.49Å
838	Q	61	Low	62.4	Low	22 Å²	22	70 Å²	70	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-43.3	176.1	-74	171.7	-21.1	0	0	112.1	Q834 Q836 I842 W901	Q834-Q838 WeakPolarHBondContact O-CB 3.42Å; Q834-Q838 VanDerWaalsContact O-CG 3.25Å; Q834-Q838 WeakPolarHBondContact O-CG 3.22Å; Q834-Q838 PolarHBondContact O-N 2.84Å; Q836-Q838 VanDerWaalsContact C-N 3.35Å; Q836-Q838 PolarHBondContact O-N 3.26Å; Q838-I842 WeakPolarHBondContact O-CB 3.35Å; Q838-I842 WeakPolarHBondContact O-CD1 3.22Å; Q838-I842 VanDerWaalsContact O-CG1 3.29Å; Q838-I842 WeakPolarHBondContact O-CG1 3.39Å; Q838-I842 PolarHBondContact O-N 3.47Å; Q838-W901 HydrophobicContact CG-CZ3 4.3Å
839	L	63.9	Low	62.4	Low	48 Å²	48	66.8 Å²	66.8	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-46.2	176.7	-177.8	63.2	0	0	0	111.2	T835 Q836 I842 T843 F890	T835-L839 VanDerWaalsContact O-CB 3.23Å; T835-L839 WeakPolarHBondContact O-CB 3.47Å; T835-L839 PolarHBondContact O-N 3.26Å; Q836-L839 PolarHBondContact O-N 3.23Å; L839-I842 PolarHBondContact O-N 2.92Å; L839-T843 HydrophobicContact CD1-CG2 4.4Å; L839-T843 WeakPolarHBondContact O-CG2 3.5Å; L839-T843 PolarHBondContact O-N 2.88Å; L839-T843 PolarHBondContact O-OG1 2.87Å; L839-T843 VanDerWaalsContact O-OG1 3.09Å; L839-F890 HydrophobicContact CB-CE2 4.14Å; L839-F890 HydrophobicContact CB-CZ 3.84Å; L839-F890 HydrophobicContact CD1-CD1 4.43Å; L839-F890 HydrophobicContact CD1-CE1 3.99Å; L839-F890 HydrophobicContact CD1-CE2 4.18Å; L839-F890 HydrophobicContact CD1-CZ 3.86Å; L839-F890 HydrophobicContact CG-CZ 4.47Å
840	Q	63.2	Low	62.3	Low	114 Å²	114	64.7 Å²	64.7	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-49	179.2	-171.9	171.7	-1.7	0	0	111	Q836 I837 I842 T843 E844	Q836-Q840 WeakPolarHBondContact O-CB 3.49Å; Q836-Q840 PolarHBondContact O-N 3.06Å; I837-Q840 PolarHBondContact O-N 3.36Å; Q840-I842 VanDerWaalsContact C-N 3.32Å; Q840-I842 PolarHBondContact O-N 3.38Å; Q840-T843 VanDerWaalsContact CA-OG1 3.29Å; Q840-T843 WeakPolarHBondContact CA-OG1 3.45Å; Q840-T843 PolarHBondContact O-N 3.15Å; Q840-T843 VanDerWaalsContact O-N 3.17Å; Q840-T843 PolarHBondContact O-OG1 2.91Å; Q840-E844 WeakPolarHBondContact O-CG 3.32Å; Q840-E844 PolarHBondContact O-N 2.97Å
841	F	61.7	Low	62	Low	90 Å²	90	64.5 Å²	64.5	40%	0.395	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-43	176.7	-176.2	-111.6	0	0	0	112.4	W248 I837 E844 L845	W248-F841 HydrophobicContact CZ3-CD1 4.41Å; I837-F841 VanDerWaalsContact O-CB 3.3Å; I837-F841 WeakPolarHBondContact O-CB 3.2Å; I837-F841 PolarHBondContact O-N 3.49Å; F841-E844 PolarHBondContact O-N 2.85Å; F841-L845 HydrophobicContact CD1-CD1 3.83Å; F841-L845 HydrophobicContact CE1-CD1 3.53Å; F841-L845 HydrophobicContact CE2-CD1 4.46Å; F841-L845 HydrophobicContact CG-CD1 4.42Å; F841-L845 HydrophobicContact CZ-CD1 3.88Å; F841-L845 WeakPolarHBondContact O-CB 3.36Å; F841-L845 VanDerWaalsContact O-CG 3.29Å; F841-L845 WeakPolarHBondContact O-CG 3.32Å; F841-L845 PolarHBondContact O-N 2.94Å
842	I	64.6	Low	61.6	Low	13 Å²	13	64.5 Å²	64.5	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-71.1	-35.6	178.2	-69	166.8	0	0	0	111.4	Q838 L839 Q840 L845 C846 L883 I884 F890	Q838-I842 WeakPolarHBondContact O-CB 3.35Å; Q838-I842 WeakPolarHBondContact O-CD1 3.22Å; Q838-I842 VanDerWaalsContact O-CG1 3.29Å; Q838-I842 WeakPolarHBondContact O-CG1 3.39Å; Q838-I842 PolarHBondContact O-N 3.47Å; L839-I842 PolarHBondContact O-N 2.92Å; Q840-I842 VanDerWaalsContact C-N 3.32Å; Q840-I842 PolarHBondContact O-N 3.38Å; I842-L845 PolarHBondContact O-N 2.73Å; I842-C846 PolarHBondContact O-N 2.79Å; I842-L883 HydrophobicContact CG2-CB 4.14Å; I842-L883 HydrophobicContact CG2-CD1 4.47Å; I842-I884 HydrophobicContact CG2-CD1 3.95Å; I842-I884 HydrophobicContact CG2-CG1 3.81Å; I842-F890 HydrophobicContact CD1-CE1 3.82Å; I842-F890 HydrophobicContact CD1-CZ 4.39Å
843	T	63.4	Low	61	Low	23 Å²	23	63.2 Å²	63.2	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-42.6	172.6	49	0	0	0	0	112.7	L839 Q840 C846 L847 I884 F888	L839-T843 HydrophobicContact CD1-CG2 4.4Å; L839-T843 WeakPolarHBondContact O-CG2 3.5Å; L839-T843 PolarHBondContact O-N 2.88Å; L839-T843 PolarHBondContact O-OG1 2.87Å; L839-T843 VanDerWaalsContact O-OG1 3.09Å; Q840-T843 VanDerWaalsContact CA-OG1 3.29Å; Q840-T843 WeakPolarHBondContact CA-OG1 3.45Å; Q840-T843 PolarHBondContact O-N 3.15Å; Q840-T843 VanDerWaalsContact O-N 3.17Å; Q840-T843 PolarHBondContact O-OG1 2.91Å; T843-C846 PolarHBondContact O-N 3.48Å; T843-L847 WeakPolarHBondContact O-CG 3.43Å; T843-L847 PolarHBondContact O-N 3.43Å; T843-I884 HydrophobicContact CG2-CD1 3.95Å; T843-F888 HydrophobicContact CG2-CD1 3.94Å
844	E	60.5	Low	60.7	Low	93 Å²	93	65.8 Å²	65.8	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-41.1	175.7	-65.9	-57.9	162.6	0	0	111.2	Q840 F841 C846 L847 L848	Q840-E844 WeakPolarHBondContact O-CG 3.32Å; Q840-E844 PolarHBondContact O-N 2.97Å; F841-E844 PolarHBondContact O-N 2.85Å; E844-C846 PolarHBondContact O-N 3.34Å; E844-L847 PolarHBondContact O-N 3.31Å; E844-L848 WeakPolarHBondContact O-CB 3.48Å; E844-L848 PolarHBondContact O-N 2.86Å
845	L	63.7	Low	60.1	Low	39 Å²	39	70.1 Å²	70.1	20%	0.204	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-39.2	173.7	-73.8	170.1	0	0	0	112.7	F841 I842 Q849 I866 A880	F841-L845 HydrophobicContact CD1-CD1 3.83Å; F841-L845 HydrophobicContact CE1-CD1 3.53Å; F841-L845 HydrophobicContact CE2-CD1 4.46Å; F841-L845 HydrophobicContact CG-CD1 4.42Å; F841-L845 HydrophobicContact CZ-CD1 3.88Å; F841-L845 WeakPolarHBondContact O-CB 3.36Å; F841-L845 VanDerWaalsContact O-CG 3.29Å; F841-L845 WeakPolarHBondContact O-CG 3.32Å; F841-L845 PolarHBondContact O-N 2.94Å; I842-L845 PolarHBondContact O-N 2.73Å; L845-Q849 WeakPolarHBondContact O-CB 3.35Å; L845-Q849 PolarHBondContact O-N 2.85Å; L845-I866 HydrophobicContact CB-CD1 4.49Å; L845-I866 HydrophobicContact CD2-CD1 4.21Å; L845-I866 HydrophobicContact CD2-CG2 4.3Å; L845-A880 HydrophobicContact CB-CB 4.02Å
846	C	63.8	Low	59.1	Low	6 Å²	6	74.2 Å²	74.2	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-35.2	174.4	174.1	0	0	0	0	112.7	I842 T843 E844 Q849 K850 C881 I884	I842-C846 PolarHBondContact O-N 2.79Å; T843-C846 PolarHBondContact O-N 3.48Å; E844-C846 PolarHBondContact O-N 3.34Å; C846-Q849 PolarHBondContact O-N 3.48Å; C846-K850 WeakPolarHBondContact O-CB 3.24Å; C846-K850 WeakPolarHBondContact O-CG 3.48Å; C846-K850 PolarHBondContact O-N 3.12Å; C846-C881 WeakPolarHBondContact CA-SG 3.29Å; C846-C881 HydrophobicContact CB-CB 4.1Å; C846-C881 WeakPolarHBondContact CB-SG 3.41Å; C846-C881 PolarHBondContact O-SG 2.75Å; C846-C881 WeakPolarHBondContact SG-CA 3.23Å; C846-C881 WeakPolarHBondContact SG-CB 3.39Å; C846-C881 CovalentContact SG-SG 2.05Å; C846-C881 PolarHBondContact SG-SG 2.85Å; C846-I884 HydrophobicContact CB-CD1 3.51Å
847	L	63.4	Low	58	Low	100 Å²	100	79 Å²	79	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-44.9	173.8	-73.5	170.6	0	0	0	111.1	T843 E844 K850 G851	T843-L847 WeakPolarHBondContact O-CG 3.43Å; T843-L847 PolarHBondContact O-N 3.43Å; E844-L847 PolarHBondContact O-N 3.31Å; L847-K850 PolarHBondContact O-N 3.43Å; L847-G851 PolarHBondContact O-N 3.37Å
848	L	60.8	Low	57.2	Low	106 Å²	106	82.1 Å²	82.1	56%	0.555	41%	0.407	S	S	*	.	H	α-helix	trans	-58.1	-47.5	170.7	-86.9	162.5	0	0	0	111.7	E844 K850 G851 L852	E844-L848 WeakPolarHBondContact O-CB 3.48Å; E844-L848 PolarHBondContact O-N 2.86Å; L848-K850 VanDerWaalsContact C-N 3.34Å; L848-K850 PolarHBondContact O-N 2.76Å; L848-G851 PolarHBondContact O-N 3.25Å; L848-L852 WeakPolarHBondContact O-CB 3.25Å; L848-L852 PolarHBondContact O-N 3.06Å
849	Q	61.1	Low	56	Low	31 Å²	31	87.1 Å²	87.1	15%	0.145	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-40.9	179	-169	171.9	14.7	0	0	111.6	L845 C846 V853 I866	L845-Q849 WeakPolarHBondContact O-CB 3.35Å; L845-Q849 PolarHBondContact O-N 2.85Å; C846-Q849 PolarHBondContact O-N 3.48Å; Q849-V853 WeakPolarHBondContact O-CB 3.41Å; Q849-V853 VanDerWaalsContact O-CG2 3.25Å; Q849-V853 WeakPolarHBondContact O-CG2 3.37Å; Q849-V853 PolarHBondContact O-N 2.73Å; Q849-I866 HydrophobicContact CB-CD1 4.44Å
850	K	60.8	Low	54.8	Low	114 Å²	114	89.8 Å²	89.8	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-39.8	174.7	-76.5	171.1	175.5	166.7	0	112.9	C846 L847 L848 V853 N854	C846-K850 WeakPolarHBondContact O-CB 3.24Å; C846-K850 WeakPolarHBondContact O-CG 3.48Å; C846-K850 PolarHBondContact O-N 3.12Å; L847-K850 PolarHBondContact O-N 3.43Å; L848-K850 VanDerWaalsContact C-N 3.34Å; L848-K850 PolarHBondContact O-N 2.76Å; K850-V853 PolarHBondContact O-N 3.11Å; K850-N854 WeakPolarHBondContact O-CB 3.38Å; K850-N854 PolarHBondContact O-N 2.74Å
851	G	55	Low	53.8	Low	34 Å²	34	94 Å²	94	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-46.2	175.4	0	0	0	0	0	112	L847 L848 N854 H855	L847-G851 PolarHBondContact O-N 3.37Å; L848-G851 PolarHBondContact O-N 3.25Å; G851-N854 PolarHBondContact O-N 2.82Å; G851-H855 PolarHBondContact O-N 3.26Å
852	L	54.3	Low	52.8	Low	66 Å²	66	93.9 Å²	93.9	35%	0.346	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-47.4	173.8	-83.1	157.2	0	0	0	111.9	L848 N854 H855 Y856 V864	L848-L852 WeakPolarHBondContact O-CB 3.25Å; L848-L852 PolarHBondContact O-N 3.06Å; L852-N854 VanDerWaalsContact C-N 3.32Å; L852-N854 PolarHBondContact O-N 3.48Å; L852-H855 PolarHBondContact O-N 3.17Å; L852-Y856 HydrophobicContact CD2-CD2 4Å; L852-Y856 HydrophobicContact CD2-CE2 4.09Å; L852-Y856 WeakPolarHBondContact O-CB 3.31Å; L852-Y856 PolarHBondContact O-N 3.05Å; L852-V864 HydrophobicContact CD1-CG1 4.06Å
853	V	51.1	Low	51.7	Low	79 Å²	79	97 Å²	97	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-37	177.8	167.3	0	0	0	0	112.2	Q849 K850	Q849-V853 WeakPolarHBondContact O-CB 3.41Å; Q849-V853 VanDerWaalsContact O-CG2 3.25Å; Q849-V853 WeakPolarHBondContact O-CG2 3.37Å; Q849-V853 PolarHBondContact O-N 2.73Å; K850-V853 PolarHBondContact O-N 3.11Å
854	N	52.3	Low	50.5	Low	128 Å²	128	98.7 Å²	98.7	68%	0.684	51%	0.509	S	S	*	.	H	α-helix	trans	-71.7	-30.8	176.4	-75.8	-10.8	0	0	0	113.3	K850 G851 L852	K850-N854 WeakPolarHBondContact O-CB 3.38Å; K850-N854 PolarHBondContact O-N 2.74Å; G851-N854 PolarHBondContact O-N 2.82Å; L852-N854 VanDerWaalsContact C-N 3.32Å; L852-N854 PolarHBondContact O-N 3.48Å
855	H	48.6	Very low	49.6	Very low	143 Å²	143	101.5 Å²	101.5	66%	0.662	52%	0.516	S	S	*	.	H	α-helix	trans	-87.3	-29.2	176.9	-94.7	-76.6	0	0	0	114.4	G851 L852	G851-H855 PolarHBondContact O-N 3.26Å; L852-H855 PolarHBondContact O-N 3.17Å
856	Y	42.2	Very low	48.5	Very low	148 Å²	148	102.5 Å²	102.5	58%	0.58	52%	0.521	S	S	*	.			trans	-111.4	54.5	-174	-74.8	-91.4	0	0	0	113.1	L852 V858	L852-Y856 HydrophobicContact CD2-CD2 4Å; L852-Y856 HydrophobicContact CD2-CE2 4.09Å; L852-Y856 WeakPolarHBondContact O-CB 3.31Å; L852-Y856 PolarHBondContact O-N 3.05Å; Y856-V858 PolarHBondContact O-N 3.43Å
857	Y	41.7	Very low	47.4	Very low	201 Å²	201	110.7 Å²	110.7	79%	0.788	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	12.3	170.3	-123.2	-85.9	0	0	0	114.3
858	V	43.6	Very low	46.5	Very low	126 Å²	126	108 Å²	108	76%	0.764	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-20.8	-162.3	-176.3	0	0	0	0	114	Y856	Y856-V858 PolarHBondContact O-N 3.43Å
859	L	36.2	Very low	45.6	Very low	127 Å²	127	105.9 Å²	105.9	67%	0.665	54%	0.538	S	S	*	.	S	Bend	trans	-130.2	122.8	176.7	-76.3	99.4	0	0	0	112.6
860	D	39	Very low	44.8	Very low	105 Å²	105	109.8 Å²	109.8	56%	0.561	56%	0.556	S	S	*	*			trans	22.5	106.7	169.4	-157.5	-11.6	0	0	0	118.6	N862 A863	D860-N862 PolarHBondContact O-N 3.34Å; D860-N862 VanDerWaalsContact OD1-CB 3.28Å; D860-N862 WeakPolarHBondContact OD1-CB 3.43Å; D860-N862 PolarHBondContact OD1-N 2.97Å; D860-N862 PolarHBondContact OD1-ND2 2.87Å; D860-A863 WeakPolarHBondContact O-CB 3.49Å; D860-A863 PolarHBondContact O-N 3.43Å
861	Q	41.4	Very low	43.8	Very low	201 Å²	201	107.4 Å²	107.4	94%	0.939	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.2	173.1	-67.4	178.3	-24.4	0	0	114.1
862	N	41.3	Very low	43	Very low	88 Å²	88	111.5 Å²	111.5	47%	0.471	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-14.7	176.8	-65.9	-76.3	0	0	0	114.9	D860 R865	D860-N862 PolarHBondContact O-N 3.34Å; D860-N862 VanDerWaalsContact OD1-CB 3.28Å; D860-N862 WeakPolarHBondContact OD1-CB 3.43Å; D860-N862 PolarHBondContact OD1-N 2.97Å; D860-N862 PolarHBondContact OD1-ND2 2.87Å; N862-R865 WeakPolarHBondContact O-CD 3.31Å; N862-R865 WeakPolarHBondContact O-CG 3.27Å; N862-R865 PolarHBondContact O-NE 2.9Å; N862-R865 VanDerWaalsContact O-NE 3.16Å; N862-R865 PolarHBondContact OD1-NH2 2.87Å
863	A	40.6	Very low	42.3	Very low	78 Å²	78	114.1 Å²	114.1	65%	0.645	58%	0.581	S	S	*	*	S	Bend	trans	-77.5	-33.6	-164.2	0	0	0	0	0	115.1	D860 R865	D860-A863 WeakPolarHBondContact O-CB 3.49Å; D860-A863 PolarHBondContact O-N 3.43Å; A863-R865 VanDerWaalsContact C-N 3.35Å; A863-R865 PolarHBondContact O-N 3.49Å; A863-R865 VanDerWaalsContact O-N 3.16Å
864	V	39.6	Very low	41.6	Very low	59 Å²	59	116.2 Å²	116.2	36%	0.358	59%	0.594	S	S	.	*			trans	-93.6	61.7	-175	-167.6	0	0	0	0	111.2	L852	L852-V864 HydrophobicContact CD1-CG1 4.06Å
865	R	41.3	Very low	41.1	Very low	153 Å²	153	117.9 Å²	117.9	58%	0.577	60%	0.603	S	S	*	*			trans	-94.7	96.3	174.9	-69.5	175.6	-171	-131.5	2.3	110.5	N862 A863 H867	N862-R865 WeakPolarHBondContact O-CD 3.31Å; N862-R865 WeakPolarHBondContact O-CG 3.27Å; N862-R865 PolarHBondContact O-NE 2.9Å; N862-R865 VanDerWaalsContact O-NE 3.16Å; N862-R865 PolarHBondContact OD1-NH2 2.87Å; A863-R865 VanDerWaalsContact C-N 3.35Å; A863-R865 PolarHBondContact O-N 3.49Å; A863-R865 VanDerWaalsContact O-N 3.16Å; R865-H867 PolarHBondContact O-N 3.36Å; R865-H867 VanDerWaalsContact O-N 3.12Å
866	I	40.1	Very low	40.8	Very low	60 Å²	60	113.7 Å²	113.7	31%	0.308	59%	0.59	S	S	.	*			trans	-73	103.3	176.6	-60.5	162.9	0	0	0	108.5	L845 Q849 V868 A880	L845-I866 HydrophobicContact CB-CD1 4.49Å; L845-I866 HydrophobicContact CD2-CD1 4.21Å; L845-I866 HydrophobicContact CD2-CG2 4.3Å; Q849-I866 HydrophobicContact CB-CD1 4.44Å; I866-V868 PolarHBondContact O-N 3.27Å; I866-A880 HydrophobicContact CD1-CB 4.22Å
867	H	40.9	Very low	41	Very low	178 Å²	178	112.1 Å²	112.1	82%	0.824	60%	0.596	S	S	*	*			trans	-67.1	101.4	172	-104.4	-71.4	0	0	0	110.1	R865 P869	R865-H867 PolarHBondContact O-N 3.36Å; R865-H867 VanDerWaalsContact O-N 3.12Å; H867-P869 WeakPolarHBondContact O-CD 3.46Å
868	V	44.9	Very low	41.4	Very low	44 Å²	44	106 Å²	106	27%	0.267	57%	0.573	S	S	.	*			trans	-63.3	123.8	164.2	-179.1	0	0	0	0	107.9	I866 I871 W901	I866-V868 PolarHBondContact O-N 3.27Å; V868-I871 HydrophobicContact CB-CD1 4.15Å; V868-I871 HydrophobicContact CG1-CD1 4.16Å; V868-I871 HydrophobicContact CG1-CG1 4.31Å; V868-W901 HydrophobicContact CG1-CZ2 3.77Å
869	P	41.7	Very low	42	Very low	60 Å²	60	101.5 Å²	101.5	39%	0.39	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	147.8	175.9	-23.2	34.1	0	0	0	111.7	H867 I871	H867-P869 WeakPolarHBondContact O-CD 3.46Å; P869-I871 VanDerWaalsContact C-N 3.35Å; P869-I871 PolarHBondContact O-N 3.05Å
870	E	44.7	Very low	43	Very low	113 Å²	113	95.9 Å²	95.9	53%	0.528	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.9	165.7	-139.2	167.4	-135.2	0	0	117.2	K244 T872	K244-E870 IonicContact NZ-OE1 2.88Å; K244-E870 PolarHBondContact NZ-OE1 3.26Å; K244-E870 IonicContact NZ-OE2 3.75Å; K244-E870 PolarHBondContact NZ-OE2 2.95Å; E870-T872 PolarHBondContact O-N 2.95Å
871	I	39.6	Very low	44	Very low	64 Å²	64	92.3 Å²	92.3	33%	0.328	50%	0.502	S	S	.	.			trans	-80.9	89.7	159.7	-54.2	-179.3	0	0	0	108.4	V868 P869 D873 I897	V868-I871 HydrophobicContact CB-CD1 4.15Å; V868-I871 HydrophobicContact CG1-CD1 4.16Å; V868-I871 HydrophobicContact CG1-CG1 4.31Å; P869-I871 VanDerWaalsContact C-N 3.35Å; P869-I871 PolarHBondContact O-N 3.05Å; I871-D873 VanDerWaalsContact C-N 3.32Å; I871-I897 HydrophobicContact CD1-CD1 4.43Å; I871-I897 HydrophobicContact CD1-CG2 4Å; I871-I897 HydrophobicContact CG1-CG2 4.32Å
872	T	38.7	Very low	45	Very low	120 Å²	120	87.6 Å²	87.6	74%	0.736	48%	0.48	S	S	*	.			trans	-80.3	-9.7	179.3	50.6	0	0	0	0	114.3	E870 T874	E870-T872 PolarHBondContact O-N 2.95Å; T872-T874 PolarHBondContact O-N 3.3Å
873	D	39.5	Very low	45.9	Very low	121 Å²	121	84 Å²	84	65%	0.647	46%	0.462	S	S	*	.	S	Bend	trans	-76.6	90.3	174.8	-75.7	-25	0	0	0	110.5	I871 N875	I871-D873 VanDerWaalsContact C-N 3.32Å; D873-N875 PolarHBondContact O-N 2.87Å
874	T	36.9	Very low	46.9	Very low	124 Å²	124	81.7 Å²	81.7	76%	0.761	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	96.8	177.3	53.7	0	0	0	0	111.3	T872	T872-T874 PolarHBondContact O-N 3.3Å
875	N	41.7	Very low	48	Very low	162 Å²	162	79.6 Å²	79.6	87%	0.866	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.3	-9.8	145.8	-87.8	-26.6	0	0	0	113.8	D873 T877	D873-N875 PolarHBondContact O-N 2.87Å; N875-T877 PolarHBondContact O-N 3.12Å
876	S	41.8	Very low	48.8	Very low	56 Å²	56	78.7 Å²	78.7	39%	0.392	44%	0.442	S	S	.	.			trans	-93.4	89.8	-176.4	46	0	0	0	0	113.4	F878	S876-F878 PolarHBondContact O-N 3.2Å; S876-F878 VanDerWaalsContact O-N 3.12Å
877	T	45.9	Very low	49.8	Very low	114 Å²	114	81.4 Å²	81.4	70%	0.699	46%	0.457	S	S	*	.			trans	-82.3	81.3	176.3	55.5	0	0	0	0	112.2	N875	N875-T877 PolarHBondContact O-N 3.12Å
878	F	51.2	Low	50.7	Low	72 Å²	72	79.9 Å²	79.9	32%	0.316	45%	0.449	S	S	.	.			trans	-78.9	141.4	171.5	-62.7	-72.2	0	0	0	112	S876 I897	S876-F878 PolarHBondContact O-N 3.2Å; S876-F878 VanDerWaalsContact O-N 3.12Å; F878-I897 HydrophobicContact CD2-CD1 3.96Å; F878-I897 HydrophobicContact CE2-CD1 3.93Å
879	S	56.1	Low	51.4	Low	33 Å²	33	83.7 Å²	83.7	23%	0.231	46%	0.464	C	S	.	.			trans	-75.7	156	164.5	66.6	0	0	0	0	111.4	C881 E882	S879-C881 PolarHBondContact O-N 3.12Å; S879-C881 VanDerWaalsContact O-N 3.13Å; S879-E882 VanDerWaalsContact CB-OE2 3.27Å; S879-E882 WeakPolarHBondContact CB-OE2 3.46Å; S879-E882 PolarHBondContact N-OE2 2.87Å; S879-E882 PolarHBondContact O-N 3.35Å; S879-E882 WeakPolarHBondContact OG-CG 3.2Å; S879-E882 PolarHBondContact OG-N 3.48Å; S879-E882 PolarHBondContact OG-OE2 3.5Å
880	A	56.3	Low	52.3	Low	9 Å²	9	82.8 Å²	82.8	7%	0.074	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.6	176.9	0	0	0	0	0	112.2	L845 I866	L845-A880 HydrophobicContact CB-CB 4.02Å; I866-A880 HydrophobicContact CD1-CB 4.22Å
881	C	59.8	Low	53.3	Low	29 Å²	29	79.2 Å²	79.2	20%	0.196	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-23.2	178.3	-64.2	0	0	0	0	114.9	C846 S879 L883 I884	C846-C881 WeakPolarHBondContact CA-SG 3.29Å; C846-C881 HydrophobicContact CB-CB 4.1Å; C846-C881 WeakPolarHBondContact CB-SG 3.41Å; C846-C881 PolarHBondContact O-SG 2.75Å; C846-C881 WeakPolarHBondContact SG-CA 3.23Å; C846-C881 WeakPolarHBondContact SG-CB 3.39Å; C846-C881 CovalentContact SG-SG 2.05Å; C846-C881 PolarHBondContact SG-SG 2.85Å; S879-C881 PolarHBondContact O-N 3.12Å; S879-C881 VanDerWaalsContact O-N 3.13Å; C881-L883 PolarHBondContact O-N 2.83Å; C881-I884 PolarHBondContact O-N 2.82Å
882	E	62.8	Low	54.4	Low	102 Å²	102	84.1 Å²	84.1	48%	0.477	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.5	174.2	-78.4	159.9	120.7	0	0	112.8	S879 I884 T891	S879-E882 VanDerWaalsContact CB-OE2 3.27Å; S879-E882 WeakPolarHBondContact CB-OE2 3.46Å; S879-E882 PolarHBondContact N-OE2 2.87Å; S879-E882 PolarHBondContact O-N 3.35Å; S879-E882 WeakPolarHBondContact OG-CG 3.2Å; S879-E882 PolarHBondContact OG-N 3.48Å; S879-E882 PolarHBondContact OG-OE2 3.5Å; E882-I884 PolarHBondContact O-N 3.29Å; E882-T891 VanDerWaalsContact O-CG2 3.26Å; E882-T891 WeakPolarHBondContact O-CG2 3.46Å; E882-T891 PolarHBondContact O-OG1 3.3Å; E882-T891 VanDerWaalsContact O-OG1 3.06Å
883	L	59.8	Low	55.4	Low	14 Å²	14	83.3 Å²	83.3	7%	0.073	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.6	172.4	-63.4	166.1	0	0	0	112.7	I842 C881 T891 A894 I897	I842-L883 HydrophobicContact CG2-CB 4.14Å; I842-L883 HydrophobicContact CG2-CD1 4.47Å; C881-L883 PolarHBondContact O-N 2.83Å; L883-T891 PolarHBondContact O-N 3.33Å; L883-A894 HydrophobicContact CB-CB 3.98Å; L883-A894 HydrophobicContact CD2-CB 3.65Å; L883-A894 HydrophobicContact CG-CB 4.45Å; L883-A894 VanDerWaalsContact O-CB 3.29Å; L883-A894 WeakPolarHBondContact O-CB 3.4Å; L883-I897 HydrophobicContact CD2-CD1 3.79Å
884	I	61.4	Low	56.3	Low	28 Å²	28	77.6 Å²	77.6	14%	0.144	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-118.9	111.8	-172.7	-43.4	176.2	0	0	0	110.2	I842 T843 C846 C881 E882	I842-I884 HydrophobicContact CG2-CD1 3.95Å; I842-I884 HydrophobicContact CG2-CG1 3.81Å; T843-I884 HydrophobicContact CG2-CD1 3.95Å; C846-I884 HydrophobicContact CB-CD1 3.51Å; C881-I884 PolarHBondContact O-N 2.82Å; E882-I884 PolarHBondContact O-N 3.29Å
885	G	63.5	Low	57.4	Low	16 Å²	16	76.7 Å²	76.7	17%	0.165	41%	0.408	C	S	.	.			trans	-69.1	165.5	171.3	0	0	0	0	0	112.6	N887 F888 Q889	G885-N887 PolarHBondContact O-N 3.35Å; G885-F888 PolarHBondContact O-N 3.4Å; G885-F888 VanDerWaalsContact O-N 3.09Å; G885-Q889 PolarHBondContact N-O 2.89Å
886	P	58.5	Low	58.1	Low	133 Å²	133	74.4 Å²	74.4	86%	0.864	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.3	-172.1	24.3	-35.3	0	0	0	115.3
887	N	60.2	Low	58.7	Low	117 Å²	117	72.9 Å²	72.9	63%	0.626	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	19.6	-179.4	-61.2	-17.6	0	0	0	113.6	G885 Q889	G885-N887 PolarHBondContact O-N 3.35Å; N887-Q889 HydrophobicContact CB-CG 4.33Å; N887-Q889 PolarHBondContact O-N 2.91Å
888	F	59.4	Low	59.2	Low	146 Å²	146	68.7 Å²	68.7	64%	0.64	36%	0.356	S	S	*	.	S	Bend	trans	56.1	34.9	-170.7	-63.8	-93.7	0	0	0	113.4	T843 G885	T843-F888 HydrophobicContact CG2-CD1 3.94Å; G885-F888 PolarHBondContact O-N 3.4Å; G885-F888 VanDerWaalsContact O-N 3.09Å
889	Q	59.7	Low	59.2	Low	125 Å²	125	68.1 Å²	68.1	58%	0.584	36%	0.361	S	S	*	.			trans	-113.4	147.7	176.8	-70.1	176	-19.8	0	0	109.5	G885 N887 T891	G885-Q889 PolarHBondContact N-O 2.89Å; N887-Q889 HydrophobicContact CB-CG 4.33Å; N887-Q889 PolarHBondContact O-N 2.91Å; Q889-T891 PolarHBondContact O-N 2.85Å
890	F	61.3	Low	58.9	Low	41 Å²	41	71.4 Å²	71.4	18%	0.18	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-59.2	134.6	173	-69.6	-59.7	0	0	0	111.1	L839 I842 A894 L895 L898	L839-F890 HydrophobicContact CB-CE2 4.14Å; L839-F890 HydrophobicContact CB-CZ 3.84Å; L839-F890 HydrophobicContact CD1-CD1 4.43Å; L839-F890 HydrophobicContact CD1-CE1 3.99Å; L839-F890 HydrophobicContact CD1-CE2 4.18Å; L839-F890 HydrophobicContact CD1-CZ 3.86Å; L839-F890 HydrophobicContact CG-CZ 4.47Å; I842-F890 HydrophobicContact CD1-CE1 3.82Å; I842-F890 HydrophobicContact CD1-CZ 4.39Å; F890-A894 HydrophobicContact CB-CB 3.93Å; F890-A894 HydrophobicContact CD1-CB 3.88Å; F890-A894 HydrophobicContact CG-CB 4.31Å; F890-L895 HydrophobicContact CB-CG 4.18Å; F890-L898 HydrophobicContact CD1-CD1 4.41Å; F890-L898 HydrophobicContact CD2-CD2 4.38Å; F890-L898 HydrophobicContact CE1-CD1 4.27Å; F890-L898 HydrophobicContact CE1-CD2 4.29Å; F890-L898 HydrophobicContact CE2-CD2 3.9Å; F890-L898 HydrophobicContact CZ-CD2 3.85Å
891	T	65.4	Low	58.5	Low	37 Å²	37	73 Å²	73	23%	0.227	38%	0.38	C	S	.	.			trans	-66.8	161.6	169.7	56.9	0	0	0	0	110.6	E882 L883 Q889 Q893 A894 L895	E882-T891 VanDerWaalsContact O-CG2 3.26Å; E882-T891 WeakPolarHBondContact O-CG2 3.46Å; E882-T891 PolarHBondContact O-OG1 3.3Å; E882-T891 VanDerWaalsContact O-OG1 3.06Å; L883-T891 PolarHBondContact O-N 3.33Å; Q889-T891 PolarHBondContact O-N 2.85Å; T891-Q893 PolarHBondContact O-N 2.86Å; T891-A894 CarbonylContact O-C 3.57Å; T891-A894 WeakPolarHBondContact O-CA 3.48Å; T891-A894 WeakPolarHBondContact O-CB 3.5Å; T891-A894 PolarHBondContact O-N 2.89Å; T891-A894 PolarHBondContact OG1-N 3.44Å; T891-L895 PolarHBondContact O-N 2.9Å
892	E	62.9	Low	57.9	Low	167 Å²	167	75.6 Å²	75.6	78%	0.78	39%	0.388	S	S	*	.	H	α-helix	trans	-58.3	-32.9	175.1	-70.6	-168.6	135.9	0	0	112	L895 L896	E892-L895 PolarHBondContact O-N 3.28Å; E892-L896 WeakPolarHBondContact O-CG 3.32Å; E892-L896 PolarHBondContact O-N 3.45Å
893	Q	59.9	Low	56.6	Low	104 Å²	104	73.8 Å²	73.8	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-43.2	173	-66.9	176.7	-9.8	0	0	111.7	T891 L896 I897	T891-Q893 PolarHBondContact O-N 2.86Å; Q893-L896 PolarHBondContact O-N 3.4Å; Q893-I897 VanDerWaalsContact O-CG1 3.31Å; Q893-I897 WeakPolarHBondContact O-CG1 3.36Å; Q893-I897 PolarHBondContact O-N 3.35Å
894	A	58.5	Low	55.6	Low	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-40.9	172.1	0	0	0	0	0	112.3	L883 F890 T891 L896 I897 L898	L883-A894 HydrophobicContact CB-CB 3.98Å; L883-A894 HydrophobicContact CD2-CB 3.65Å; L883-A894 HydrophobicContact CG-CB 4.45Å; L883-A894 VanDerWaalsContact O-CB 3.29Å; L883-A894 WeakPolarHBondContact O-CB 3.4Å; F890-A894 HydrophobicContact CB-CB 3.93Å; F890-A894 HydrophobicContact CD1-CB 3.88Å; F890-A894 HydrophobicContact CG-CB 4.31Å; T891-A894 CarbonylContact O-C 3.57Å; T891-A894 WeakPolarHBondContact O-CA 3.48Å; T891-A894 WeakPolarHBondContact O-CB 3.5Å; T891-A894 PolarHBondContact O-N 2.89Å; T891-A894 PolarHBondContact OG1-N 3.44Å; A894-L896 VanDerWaalsContact C-N 3.32Å; A894-L896 PolarHBondContact O-N 3Å; A894-I897 PolarHBondContact O-N 2.94Å; A894-L898 WeakPolarHBondContact O-CB 3.08Å; A894-L898 WeakPolarHBondContact O-CD1 3.23Å; A894-L898 PolarHBondContact O-N 3.08Å
895	L	59.3	Low	54.5	Low	106 Å²	106	77.5 Å²	77.5	56%	0.555	41%	0.406	S	S	*	.	H	α-helix	trans	-61.2	-38.1	174.7	-89.4	160	0	0	0	112.4	F890 T891 E892 S899	F890-L895 HydrophobicContact CB-CG 4.18Å; T891-L895 PolarHBondContact O-N 2.9Å; E892-L895 PolarHBondContact O-N 3.28Å; L895-S899 WeakPolarHBondContact O-CB 2.99Å; L895-S899 PolarHBondContact O-N 3.33Å
896	L	55.9	Low	53.4	Low	114 Å²	114	84.3 Å²	84.3	60%	0.597	44%	0.438	S	S	*	.	H	α-helix	trans	-64.8	-45.7	171.9	-76.8	163.3	0	0	0	111.8	E892 Q893 A894 S899 N900	E892-L896 WeakPolarHBondContact O-CG 3.32Å; E892-L896 PolarHBondContact O-N 3.45Å; Q893-L896 PolarHBondContact O-N 3.4Å; A894-L896 VanDerWaalsContact C-N 3.32Å; A894-L896 PolarHBondContact O-N 3Å; L896-S899 WeakPolarHBondContact O-CB 3.26Å; L896-S899 PolarHBondContact O-N 3.35Å; L896-S899 VanDerWaalsContact O-N 3.11Å; L896-S899 PolarHBondContact O-OG 2.9Å; L896-N900 PolarHBondContact O-N 2.76Å
897	I	55.8	Low	52.9	Low	24 Å²	24	81.5 Å²	81.5	12%	0.123	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-45.6	178.2	-67.5	162.8	0	0	0	111.2	I871 F878 L883 Q893 A894 S899 N900 W901	I871-I897 HydrophobicContact CD1-CD1 4.43Å; I871-I897 HydrophobicContact CD1-CG2 4Å; I871-I897 HydrophobicContact CG1-CG2 4.32Å; F878-I897 HydrophobicContact CD2-CD1 3.96Å; F878-I897 HydrophobicContact CE2-CD1 3.93Å; L883-I897 HydrophobicContact CD2-CD1 3.79Å; Q893-I897 VanDerWaalsContact O-CG1 3.31Å; Q893-I897 WeakPolarHBondContact O-CG1 3.36Å; Q893-I897 PolarHBondContact O-N 3.35Å; A894-I897 PolarHBondContact O-N 2.94Å; I897-S899 PolarHBondContact O-N 2.86Å; I897-N900 WeakPolarHBondContact O-CB 3.27Å; I897-N900 PolarHBondContact O-N 2.8Å; I897-W901 PolarHBondContact O-N 3.27Å
898	L	55	Low	51.9	Low	25 Å²	25	82.3 Å²	82.3	13%	0.131	42%	0.423	C	S	.	.	H	α-helix	trans	-66.1	-23.8	173.3	-86.4	81.2	0	0	0	112.5	F890 A894 N900 W901	F890-L898 HydrophobicContact CD1-CD1 4.41Å; F890-L898 HydrophobicContact CD2-CD2 4.38Å; F890-L898 HydrophobicContact CE1-CD1 4.27Å; F890-L898 HydrophobicContact CE1-CD2 4.29Å; F890-L898 HydrophobicContact CE2-CD2 3.9Å; F890-L898 HydrophobicContact CZ-CD2 3.85Å; A894-L898 WeakPolarHBondContact O-CB 3.08Å; A894-L898 WeakPolarHBondContact O-CD1 3.23Å; A894-L898 PolarHBondContact O-N 3.08Å; L898-N900 VanDerWaalsContact C-N 3.33Å; L898-W901 HydrophobicContact CG-CE3 4Å; L898-W901 HydrophobicContact CG-CZ3 4.3Å; L898-W901 WeakPolarHBondContact O-CB 3.47Å; L898-W901 PolarHBondContact O-N 3.09Å
899	S	52.7	Low	50.9	Low	61 Å²	61	82.5 Å²	82.5	43%	0.427	42%	0.423	S	S	.	.	H	α-helix	trans	-69.2	-32.1	173.5	83.3	0	0	0	0	112.4	L895 L896 I897 W901 K902	L895-S899 WeakPolarHBondContact O-CB 2.99Å; L895-S899 PolarHBondContact O-N 3.33Å; L896-S899 WeakPolarHBondContact O-CB 3.26Å; L896-S899 PolarHBondContact O-N 3.35Å; L896-S899 VanDerWaalsContact O-N 3.11Å; L896-S899 PolarHBondContact O-OG 2.9Å; I897-S899 PolarHBondContact O-N 2.86Å; S899-W901 VanDerWaalsContact C-N 3.27Å; S899-W901 PolarHBondContact O-N 3.12Å; S899-K902 PolarHBondContact O-N 2.75Å; S899-K902 VanDerWaalsContact O-N 3.11Å
900	N	49.7	Very low	49.8	Very low	102 Å²	102	83.7 Å²	83.7	55%	0.545	43%	0.429	S	S	.	.	H	α-helix	trans	-68.5	-26.8	171.5	-70.4	-10.8	0	0	0	111.9	L896 I897 L898 K902 L903	L896-N900 PolarHBondContact O-N 2.76Å; I897-N900 WeakPolarHBondContact O-CB 3.27Å; I897-N900 PolarHBondContact O-N 2.8Å; L898-N900 VanDerWaalsContact C-N 3.33Å; N900-K902 PolarHBondContact O-N 2.86Å; N900-L903 WeakPolarHBondContact O-CD1 3.04Å; N900-L903 PolarHBondContact O-N 2.74Å; N900-L903 VanDerWaalsContact O-N 3.16Å
901	W	47.4	Very low	48.6	Very low	43 Å²	43	83 Å²	83	16%	0.163	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6	172	-64.4	-2.5	0	0	0	113.7	W248 Q838 V868 I897 L898 S899 L903	W248-W901 HydrophobicContact CH2-CE3 4.44Å; W248-W901 AromaticContact CH2-CH2 3.71Å; W248-W901 HydrophobicContact CH2-CH2 3.71Å; W248-W901 HydrophobicContact CH2-CZ2 4.48Å; W248-W901 AromaticContact CH2-CZ3 3.69Å; W248-W901 HydrophobicContact CH2-CZ3 3.69Å; W248-W901 HydrophobicContact CZ2-CH2 4.08Å; W248-W901 HydrophobicContact CZ2-CZ2 4.42Å; W248-W901 HydrophobicContact CZ2-CZ3 4.3Å; Q838-W901 HydrophobicContact CG-CZ3 4.3Å; V868-W901 HydrophobicContact CG1-CZ2 3.77Å; I897-W901 PolarHBondContact O-N 3.27Å; L898-W901 HydrophobicContact CG-CE3 4Å; L898-W901 HydrophobicContact CG-CZ3 4.3Å; L898-W901 WeakPolarHBondContact O-CB 3.47Å; L898-W901 PolarHBondContact O-N 3.09Å; S899-W901 VanDerWaalsContact C-N 3.27Å; S899-W901 PolarHBondContact O-N 3.12Å; W901-L903 VanDerWaalsContact C-N 3.31Å
902	K	46.4	Very low	47	Very low	82 Å²	82	89.7 Å²	89.7	36%	0.357	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	35.7	164	-80.4	-167	172	-171.7	0	112.6	E831 S899 N900 I911	E831-K902 IonicContact OE1-NZ 2.93Å; E831-K902 PolarHBondContact OE1-NZ 2.82Å; S899-K902 PolarHBondContact O-N 2.75Å; S899-K902 VanDerWaalsContact O-N 3.11Å; N900-K902 PolarHBondContact O-N 2.86Å; K902-I911 HydrophobicContact CB-CB 4.22Å; K902-I911 WeakPolarHBondContact O-CB 3.2Å; K902-I911 WeakPolarHBondContact O-CG1 3.46Å; K902-I911 PolarHBondContact O-N 3.16Å
903	L	37.1	Very low	46.1	Very low	65 Å²	65	86 Å²	86	34%	0.34	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-99.2	137.4	161.1	-90.9	71.8	0	0	0	110.8	N900 W901	N900-L903 WeakPolarHBondContact O-CD1 3.04Å; N900-L903 PolarHBondContact O-N 2.74Å; N900-L903 VanDerWaalsContact O-N 3.16Å; W901-L903 VanDerWaalsContact C-N 3.31Å
904	D	38.4	Very low	45	Very low	36 Å²	36	85.8 Å²	85.8	19%	0.193	44%	0.441	C	S	.	.			trans	-87.8	113.4	170.2	166.6	31	0	0	0	109.1	L906 T907 N908 I911	D904-L906 PolarHBondContact O-N 3.44Å; D904-L906 VanDerWaalsContact O-N 3.14Å; D904-L906 PolarHBondContact OD1-N 2.87Å; D904-T907 PolarHBondContact O-N 3.13Å; D904-T907 WeakPolarHBondContact OD2-CB 3.18Å; D904-T907 VanDerWaalsContact OD2-CG2 3.22Å; D904-T907 WeakPolarHBondContact OD2-CG2 3.44Å; D904-T907 PolarHBondContact OD2-N 3.46Å; D904-T907 PolarHBondContact OD2-OG1 3.13Å; D904-N908 PolarHBondContact O-N 3.39Å; D904-I911 HydrophobicContact CB-CD1 4.05Å; D904-I911 HydrophobicContact CB-CG1 3.9Å
905	P	38.6	Very low	44.5	Very low	83 Å²	83	87.2 Å²	87.2	54%	0.539	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16	-174.2	28.2	-35.6	0	0	0	113.2	Y240	Y240-P905 HydrophobicContact CE2-CG 3.98Å; Y240-P905 VanDerWaalsContact OH-CD 3.3Å; Y240-P905 WeakPolarHBondContact OH-CD 3.45Å
906	L	39	Very low	44	Very low	159 Å²	159	90.3 Å²	90.3	83%	0.832	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.9	178.5	-78.9	160.8	0	0	0	114	D904	D904-L906 PolarHBondContact O-N 3.44Å; D904-L906 VanDerWaalsContact O-N 3.14Å; D904-L906 PolarHBondContact OD1-N 2.87Å
907	T	49	Very low	43.9	Very low	74 Å²	74	86 Å²	86	45%	0.454	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-9.8	-178.1	66	0	0	0	0	115.3	D904 K909	D904-T907 PolarHBondContact O-N 3.13Å; D904-T907 WeakPolarHBondContact OD2-CB 3.18Å; D904-T907 VanDerWaalsContact OD2-CG2 3.22Å; D904-T907 WeakPolarHBondContact OD2-CG2 3.44Å; D904-T907 PolarHBondContact OD2-N 3.46Å; D904-T907 PolarHBondContact OD2-OG1 3.13Å; T907-K909 PolarHBondContact O-N 3.37Å
908	N	39.4	Very low	44	Very low	135 Å²	135	86 Å²	86	72%	0.722	44%	0.437	S	S	*	.			trans	49	32.4	180	-155.5	7	0	0	0	113.6	D904	D904-N908 PolarHBondContact O-N 3.39Å
909	K	38.2	Very low	44.1	Very low	149 Å²	149	90 Å²	90	65%	0.648	46%	0.462	S	S	*	.	S	Bend	trans	-111.6	146.1	173	-73.2	164.2	-175	168.6	0	107.3	T907 I911	T907-K909 PolarHBondContact O-N 3.37Å; K909-I911 PolarHBondContact O-N 3.11Å
910	Q	35.2	Very low	44.6	Very low	151 Å²	151	88.4 Å²	88.4	71%	0.706	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-51.7	133.6	167.6	-79.7	-174.1	-24.7	0	0	109.5	K912	Q910-K912 PolarHBondContact O-N 3Å
911	I	37.7	Very low	45	Very low	27 Å²	27	91.3 Å²	91.3	14%	0.138	46%	0.461	C	S	.	.			trans	-65.5	87.1	167.7	-72.2	175.2	0	0	0	107.8	K902 D904 K909 H913	K902-I911 HydrophobicContact CB-CB 4.22Å; K902-I911 WeakPolarHBondContact O-CB 3.2Å; K902-I911 WeakPolarHBondContact O-CG1 3.46Å; K902-I911 PolarHBondContact O-N 3.16Å; D904-I911 HydrophobicContact CB-CD1 4.05Å; D904-I911 HydrophobicContact CB-CG1 3.9Å; K909-I911 PolarHBondContact O-N 3.11Å; I911-H913 HydrophobicContact CG2-CB 3.56Å; I911-H913 WeakPolarHBondContact CG2-CD2 3.46Å; I911-H913 PolarHBondContact O-N 2.91Å; I911-H913 VanDerWaalsContact O-N 3.14Å
912	K	30.3	Very low	45.7	Very low	177 Å²	177	90.5 Å²	90.5	77%	0.77	46%	0.459	S	S	*	.			trans	-80.4	29.1	166.8	-129.7	171.7	-169.6	169.9	0	111	Q910 T914	Q910-K912 PolarHBondContact O-N 3Å; K912-T914 PolarHBondContact O-N 2.87Å; K912-T914 PolarHBondContact O-OG1 3.43Å
913	H	43.7	Very low	46.1	Very low	90 Å²	90	89.5 Å²	89.5	42%	0.417	46%	0.462	S	S	.	.			trans	-72.3	64.9	166.4	-52.6	-21	0	0	0	109.8	I911 L915	I911-H913 HydrophobicContact CG2-CB 3.56Å; I911-H913 WeakPolarHBondContact CG2-CD2 3.46Å; I911-H913 PolarHBondContact O-N 2.91Å; I911-H913 VanDerWaalsContact O-N 3.14Å; H913-L915 HydrophobicContact CB-CD1 4.23Å; H913-L915 PolarHBondContact O-N 2.83Å
914	T	37.7	Very low	46.7	Very low	98 Å²	98	91.5 Å²	91.5	60%	0.601	48%	0.479	S	S	*	.				-58.7	105	123.7	52.6	0	0	0	0	104.6	K912 K916	K912-T914 PolarHBondContact O-N 2.87Å; K912-T914 PolarHBondContact O-OG1 3.43Å; T914-K916 PolarHBondContact O-N 3.22Å
915	L	48	Very low	47.3	Very low	30 Å²	30	91.7 Å²	91.7	16%	0.157	48%	0.481	C	S	.	.			trans	-71	81.8	-178.4	-150.5	78.3	0	0	0	107.7	L234 T827 H913 T917	L234-L915 HydrophobicContact CD1-CD2 4.07Å; T827-L915 HydrophobicContact CG2-CB 3.91Å; T827-L915 HydrophobicContact CG2-CD2 4Å; T827-L915 WeakPolarHBondContact OG1-CD2 3.44Å; H913-L915 HydrophobicContact CB-CD1 4.23Å; H913-L915 PolarHBondContact O-N 2.83Å; L915-T917 PolarHBondContact O-N 3.48Å
916	K	49.8	Very low	47.7	Very low	171 Å²	171	92.5 Å²	92.5	74%	0.743	49%	0.485	S	S	*	.			trans	-72.1	94.1	-169	-77.7	-172.2	177.9	-175.4	0	109.5	T914	T914-K916 PolarHBondContact O-N 3.22Å
917	T	53.9	Low	47.8	Very low	24 Å²	24	87.7 Å²	87.7	15%	0.147	46%	0.463	C	S	.	.			trans	-47.3	126.5	175.3	49.3	0	0	0	0	111.1	A820 I823 N824 L915 V919	A820-T917 HydrophobicContact CB-CG2 4.39Å; I823-T917 HydrophobicContact CB-CG2 4.1Å; I823-T917 HydrophobicContact CG2-CG2 3.76Å; N824-T917 WeakPolarHBondContact ND2-CG2 3.41Å; N824-T917 PolarHBondContact ND2-OG1 2.91Å; L915-T917 PolarHBondContact O-N 3.48Å; T917-V919 PolarHBondContact O-N 2.95Å; T917-V919 VanDerWaalsContact O-N 3.17Å
918	P	56.8	Low	47.4	Very low	24 Å²	24	86.1 Å²	86.1	16%	0.156	46%	0.458	C	S	.	.			trans	-67.2	115	-168.2	22.3	-31	0	0	0	112.1	H226 Y227 C920	H226-P918 HydrophobicContact CB-CB 4.3Å; Y227-P918 HydrophobicContact CD1-CG 3.99Å; Y227-P918 HydrophobicContact CD2-CG 3.89Å; Y227-P918 HydrophobicContact CE1-CG 3.91Å; Y227-P918 HydrophobicContact CE2-CB 4.41Å; Y227-P918 HydrophobicContact CE2-CG 3.79Å; Y227-P918 HydrophobicContact CG-CG 3.97Å; Y227-P918 PolarHBondContact OH-O 3.48Å; P918-C920 PolarHBondContact O-N 2.83Å
919	V	56.7	Low	47.5	Very low	108 Å²	108	84 Å²	84	66%	0.655	45%	0.449	S	S	*	.			trans	-84.4	97.1	178.1	-176.9	0	0	0	0	109.4	T917 H921	T917-V919 PolarHBondContact O-N 2.95Å; T917-V919 VanDerWaalsContact O-N 3.17Å; V919-H921 PolarHBondContact O-CD2 3.17Å; V919-H921 VanDerWaalsContact O-CD2 3.29Å; V919-H921 PolarHBondContact O-N 3.21Å; V919-H921 VanDerWaalsContact O-N 3.12Å
920	C	63.2	Low	47.4	Very low	29 Å²	29	83.6 Å²	83.6	20%	0.196	45%	0.445	C	S	.	.			trans	-71.5	105.6	179.3	-66.2	0	0	0	0	112.3	C223 P918 F922	C223-C920 VanDerWaalsContact CA-SG 3.57Å; C223-C920 HydrophobicContact CB-CB 3.89Å; C223-C920 WeakPolarHBondContact CB-SG 3.35Å; C223-C920 WeakPolarHBondContact SG-CB 3.34Å; C223-C920 CovalentContact SG-SG 2.03Å; C223-C920 PolarHBondContact SG-SG 3.09Å; P918-C920 PolarHBondContact O-N 2.83Å; C920-F922 HydrophobicContact CB-CD2 4.42Å; C920-F922 HydrophobicContact CB-CE2 3.81Å; C920-F922 HydrophobicContact CB-CZ 3.94Å; C920-F922 WeakPolarHBondContact O-CD2 3.42Å; C920-F922 PolarHBondContact O-N 3.48Å; C920-F922 VanDerWaalsContact O-N 3.14Å
921	H	59.3	Low	47.4	Very low	163 Å²	163	79.2 Å²	79.2	76%	0.755	44%	0.435	S	S	*	.			trans	-83.7	79.3	176.6	-76.4	-81.1	0	0	0	112.3	V919 S923	V919-H921 PolarHBondContact O-CD2 3.17Å; V919-H921 VanDerWaalsContact O-CD2 3.29Å; V919-H921 PolarHBondContact O-N 3.21Å; V919-H921 VanDerWaalsContact O-N 3.12Å; H921-S923 PolarHBondContact O-N 3.29Å
922	F	60.7	Low	47.3	Very low	25 Å²	25	85 Å²	85	11%	0.11	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-60.4	122	169.9	-58.7	-74.8	0	0	0	111.2	Q219 I220 C223 I809 A812 K813 C920	Q219-F922 HydrophobicContact CB-CD1 4.37Å; I220-F922 HydrophobicContact CG1-CE1 3.95Å; C223-F922 HydrophobicContact CB-CE1 4.44Å; C223-F922 HydrophobicContact CB-CZ 4.33Å; I809-F922 HydrophobicContact CG2-CB 3.78Å; I809-F922 HydrophobicContact CG2-CD2 4.1Å; I809-F922 HydrophobicContact CG2-CG 3.95Å; A812-F922 HydrophobicContact CB-CE2 4.34Å; A812-F922 HydrophobicContact CB-CZ 4.09Å; K813-F922 HydrophobicContact CD-CD2 4.45Å; K813-F922 HydrophobicContact CG-CD2 3.73Å; K813-F922 HydrophobicContact CG-CE2 4.03Å; C920-F922 HydrophobicContact CB-CD2 4.42Å; C920-F922 HydrophobicContact CB-CE2 3.81Å; C920-F922 HydrophobicContact CB-CZ 3.94Å; C920-F922 WeakPolarHBondContact O-CD2 3.42Å; C920-F922 PolarHBondContact O-N 3.48Å; C920-F922 VanDerWaalsContact O-N 3.14Å
923	S	55.6	Low	47.6	Very low	61 Å²	61	79.3 Å²	79.3	43%	0.427	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-76.9	140	178.4	-58.2	0	0	0	0	110.7	Q219 H921 V925	Q219-S923 PolarHBondContact NE2-OG 3.19Å; H921-S923 PolarHBondContact O-N 3.29Å; S923-V925 PolarHBondContact O-N 2.97Å
924	P	50.6	Low	47.5	Very low	107 Å²	107	78.6 Å²	78.6	70%	0.695	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.4	128.4	175	27.5	-33.4	0	0	0	110.3	V926	P924-V926 PolarHBondContact O-N 2.81Å
925	V	50	Low	47.4	Very low	40 Å²	40	78.2 Å²	78.2	24%	0.242	43%	0.434	C	S	.	.			trans	-66.8	105.5	172	-176.2	0	0	0	0	108.6	Q212 P801 S923	Q212-V925 HydrophobicContact CB-CG1 4.09Å; Q212-V925 HydrophobicContact CG-CG1 3.93Å; P801-V925 HydrophobicContact CB-CB 3.92Å; P801-V925 HydrophobicContact CB-CG1 4.08Å; P801-V925 HydrophobicContact CG-CB 3.99Å; P801-V925 HydrophobicContact CG-CG1 3.94Å; P801-V925 WeakPolarHBondContact CG-O 3.42Å; S923-V925 PolarHBondContact O-N 2.97Å
926	V	47.1	Very low	47	Very low	101 Å²	101	80 Å²	80	61%	0.612	45%	0.449	S	S	*	.			trans	-70.5	129.4	-179.2	-174.1	0	0	0	0	109	Q212 P924	Q212-V926 PolarHBondContact NE2-O 3.32Å; P924-V926 PolarHBondContact O-N 2.81Å
927	P	40.8	Very low	46.4	Very low	58 Å²	58	79.6 Å²	79.6	38%	0.377	44%	0.443	S	S	.	.			trans	-61.1	145.6	174.3	26.5	-34.6	0	0	0	110.5	Q800 T929	Q800-P927 HydrophobicContact CG-CB 4.4Å; P927-T929 VanDerWaalsContact C-N 3.26Å; P927-T929 HydrophobicContact CG-CG2 4.48Å; P927-T929 PolarHBondContact O-N 3.33Å
928	A	40.4	Very low	45.6	Very low	41 Å²	41	81.6 Å²	81.6	34%	0.339	45%	0.452	S	S	.	.			trans	-72.8	70.3	-174.2	0	0	0	0	0	113.3	E208 Y930	E208-A928 HydrophobicContact CG-CB 3.97Å; A928-Y930 PolarHBondContact O-N 3.21Å
929	T	41.4	Very low	44.9	Very low	89 Å²	89	85.9 Å²	85.9	55%	0.546	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	2.7	-179.8	50.2	0	0	0	0	114.6	P927 A931 E932	P927-T929 VanDerWaalsContact C-N 3.26Å; P927-T929 HydrophobicContact CG-CG2 4.48Å; P927-T929 PolarHBondContact O-N 3.33Å; T929-A931 PolarHBondContact O-N 2.86Å; T929-E932 PolarHBondContact O-N 2.94Å
930	Y	36.2	Very low	44.1	Very low	142 Å²	142	90.2 Å²	90.2	56%	0.557	48%	0.478	S	S	*	.	H	α-helix	trans	-65.1	-22.9	-179.6	-142.3	-93.1	0	0	0	113.7	F204 A928 E932 S933 H934	F204-Y930 HydrophobicContact CZ-CD1 4.45Å; A928-Y930 PolarHBondContact O-N 3.21Å; Y930-E932 PolarHBondContact O-N 3.29Å; Y930-S933 PolarHBondContact O-OG 3.16Å; Y930-H934 AromaticContact CE1-CD2 3.61Å; Y930-H934 AromaticContact CE1-NE2 3.78Å; Y930-H934 PolarHBondContact O-N 3Å
931	A	35.6	Very low	42.9	Very low	59 Å²	59	93.9 Å²	93.9	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-66.7	-33.5	178.2	0	0	0	0	0	113.3	T929 L935	T929-A931 PolarHBondContact O-N 2.86Å; A931-L935 WeakPolarHBondContact O-CB 3.39Å; A931-L935 PolarHBondContact O-N 2.88Å; A931-L935 VanDerWaalsContact O-N 3.12Å
932	E	35.1	Very low	42	Very low	147 Å²	147	89.9 Å²	89.9	69%	0.687	48%	0.481	S	S	*	.	H	α-helix	trans	-79.6	-35.5	-175	-60.9	-173.2	145.9	0	0	112.3	T929 Y930 S936	T929-E932 PolarHBondContact O-N 2.94Å; Y930-E932 PolarHBondContact O-N 3.29Å; E932-S936 PolarHBondContact O-N 3.45Å; E932-S936 PolarHBondContact O-OG 2.94Å
933	S	37.2	Very low	40.7	Very low	59 Å²	59	91.4 Å²	91.4	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-71.7	-35.3	176.9	65.6	0	0	0	0	112.4	Y930 S936 R937	Y930-S933 PolarHBondContact O-OG 3.16Å; S933-S936 PolarHBondContact O-OG 2.67Å; S933-S936 VanDerWaalsContact O-OG 3.13Å; S933-R937 WeakPolarHBondContact O-CB 3.43Å; S933-R937 PolarHBondContact O-N 2.94Å
934	H	41.2	Very low	39.8	Very low	75 Å²	75	94.6 Å²	94.6	35%	0.347	52%	0.515	S	S	.	.	H	α-helix	trans	-75.9	-40.3	174.4	-97.7	-112.6	0	0	0	112.8	Y930 S936 R937 L938	Y930-H934 AromaticContact CE1-CD2 3.61Å; Y930-H934 AromaticContact CE1-NE2 3.78Å; Y930-H934 PolarHBondContact O-N 3Å; H934-S936 VanDerWaalsContact C-N 3.34Å; H934-S936 PolarHBondContact O-N 3.45Å; H934-R937 WeakPolarHBondContact O-CB 3.28Å; H934-R937 PolarHBondContact O-N 2.92Å; H934-R937 VanDerWaalsContact O-N 3.13Å; H934-L938 WeakPolarHBondContact O-CB 3.26Å; H934-L938 PolarHBondContact O-N 3.49Å
935	L	36.1	Very low	39.1	Very low	90 Å²	90	96.5 Å²	96.5	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-42	178.3	-167	80.2	0	0	0	112.3	A931 R937 L938 L939	A931-L935 WeakPolarHBondContact O-CB 3.39Å; A931-L935 PolarHBondContact O-N 2.88Å; A931-L935 VanDerWaalsContact O-N 3.12Å; L935-R937 VanDerWaalsContact C-N 3.31Å; L935-R937 PolarHBondContact O-N 3.13Å; L935-L938 PolarHBondContact O-N 3.27Å; L935-L939 HydrophobicContact CD2-CD1 4.46Å; L935-L939 HydrophobicContact CG-CD1 4.21Å; L935-L939 WeakPolarHBondContact O-CB 3.26Å; L935-L939 WeakPolarHBondContact O-CG 3.24Å; L935-L939 PolarHBondContact O-N 2.75Å
936	S	39.3	Very low	38.3	Very low	66 Å²	66	102.9 Å²	102.9	46%	0.462	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-28.5	176.6	51.3	0	0	0	0	113.3	E932 S933 H934 R940	E932-S936 PolarHBondContact O-N 3.45Å; E932-S936 PolarHBondContact O-OG 2.94Å; S933-S936 PolarHBondContact O-OG 2.67Å; S933-S936 VanDerWaalsContact O-OG 3.13Å; H934-S936 VanDerWaalsContact C-N 3.34Å; H934-S936 PolarHBondContact O-N 3.45Å; S936-R940 PolarHBondContact O-N 3.39Å
937	R	36.9	Very low	37.5	Very low	164 Å²	164	105.8 Å²	105.8	62%	0.619	55%	0.553	S	S	*	*	H	α-helix	trans	-75	-38.4	171.7	-153.8	174.6	-170.4	171.7	2.8	112	S933 H934 L935 R940 M941	S933-R937 WeakPolarHBondContact O-CB 3.43Å; S933-R937 PolarHBondContact O-N 2.94Å; H934-R937 WeakPolarHBondContact O-CB 3.28Å; H934-R937 PolarHBondContact O-N 2.92Å; H934-R937 VanDerWaalsContact O-N 3.13Å; L935-R937 VanDerWaalsContact C-N 3.31Å; L935-R937 PolarHBondContact O-N 3.13Å; R937-R940 PolarHBondContact O-N 2.89Å; R937-M941 HydrophobicContact CG-CE 4.39Å; R937-M941 PolarHBondContact O-N 3.15Å; R937-M941 VanDerWaalsContact O-N 3.1Å
938	L	37.8	Very low	36.8	Very low	66 Å²	66	108 Å²	108	35%	0.346	57%	0.567	S	S	.	*	H	α-helix	trans	-69.8	-43.3	177.2	-122.4	159.8	0	0	0	111.7	H934 L935 R940 M941 T942	H934-L938 WeakPolarHBondContact O-CB 3.26Å; H934-L938 PolarHBondContact O-N 3.49Å; L935-L938 PolarHBondContact O-N 3.27Å; L938-R940 VanDerWaalsContact C-N 3.27Å; L938-R940 PolarHBondContact O-N 2.86Å; L938-M941 CarbonylContact O-C 3.49Å; L938-M941 PolarHBondContact O-N 3.3Å; L938-T942 HydrophobicContact CD2-CG2 4.2Å; L938-T942 PolarHBondContact O-N 2.98Å; L938-T942 PolarHBondContact O-OG1 3.13Å
939	L	41.6	Very low	36.4	Very low	113 Å²	113	113.3 Å²	113.3	59%	0.592	59%	0.589	S	S	*	*	H	α-helix	trans	-59.3	-36.5	173.9	-79.4	164.8	0	0	0	112.5	L935 T942 G943	L935-L939 HydrophobicContact CD2-CD1 4.46Å; L935-L939 HydrophobicContact CG-CD1 4.21Å; L935-L939 WeakPolarHBondContact O-CB 3.26Å; L935-L939 WeakPolarHBondContact O-CG 3.24Å; L935-L939 PolarHBondContact O-N 2.75Å; L939-T942 WeakPolarHBondContact CA-OG1 3.47Å; L939-T942 PolarHBondContact O-OG1 3.29Å; L939-T942 VanDerWaalsContact O-OG1 3.1Å; L939-G943 PolarHBondContact O-N 2.96Å; L939-G943 VanDerWaalsContact O-N 3.07Å
940	R	39.8	Very low	35.7	Very low	199 Å²	199	117.1 Å²	117.1	75%	0.751	60%	0.601	S	S	*	*	H	α-helix	trans	-66.5	-40.7	170.8	-79.1	179.6	172	171.6	-1.2	112.4	S936 R937 L938 G943 L944	S936-R940 PolarHBondContact O-N 3.39Å; R937-R940 PolarHBondContact O-N 2.89Å; L938-R940 VanDerWaalsContact C-N 3.27Å; L938-R940 PolarHBondContact O-N 2.86Å; R940-G943 PolarHBondContact O-N 2.92Å; R940-L944 WeakPolarHBondContact O-CD1 3.46Å; R940-L944 VanDerWaalsContact O-CG 3.28Å; R940-L944 WeakPolarHBondContact O-CG 3.24Å; R940-L944 PolarHBondContact O-N 2.78Å
941	M	38	Very low	35.4	Very low	106 Å²	106	118.2 Å²	118.2	52%	0.522	61%	0.613	S	S	.	*	H	α-helix	trans	-71.4	-37.4	177.8	-71.9	-173.1	-72.4	0	0	113	R937 L938 G943 L944 N945	R937-M941 HydrophobicContact CG-CE 4.39Å; R937-M941 PolarHBondContact O-N 3.15Å; R937-M941 VanDerWaalsContact O-N 3.1Å; L938-M941 CarbonylContact O-C 3.49Å; L938-M941 PolarHBondContact O-N 3.3Å; M941-G943 VanDerWaalsContact C-N 3.33Å; M941-G943 PolarHBondContact O-N 3.42Å; M941-L944 PolarHBondContact O-N 3.28Å; M941-N945 PolarHBondContact O-N 3.01Å
942	T	40.5	Very low	35.1	Very low	80 Å²	80	122.6 Å²	122.6	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-67.6	-33.9	173.5	52.6	0	0	0	0	112.3	L938 L939 L944	L938-T942 HydrophobicContact CD2-CG2 4.2Å; L938-T942 PolarHBondContact O-N 2.98Å; L938-T942 PolarHBondContact O-OG1 3.13Å; L939-T942 WeakPolarHBondContact CA-OG1 3.47Å; L939-T942 PolarHBondContact O-OG1 3.29Å; L939-T942 VanDerWaalsContact O-OG1 3.1Å; T942-L944 VanDerWaalsContact C-N 3.26Å; T942-L944 PolarHBondContact O-N 3.02Å
943	G	34.1	Very low	34.9	Very low	56 Å²	56	123.1 Å²	123.1	58%	0.577	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-6.8	174.7	0	0	0	0	0	115.3	L939 R940 M941	L939-G943 PolarHBondContact O-N 2.96Å; L939-G943 VanDerWaalsContact O-N 3.07Å; R940-G943 PolarHBondContact O-N 2.92Å; M941-G943 VanDerWaalsContact C-N 3.33Å; M941-G943 PolarHBondContact O-N 3.42Å
944	L	36.8	Very low	34.6	Very low	129 Å²	129	130.2 Å²	130.2	68%	0.675	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-15.3	178.7	-74.7	168.8	0	0	0	113.7	R940 M941 T942	R940-L944 WeakPolarHBondContact O-CD1 3.46Å; R940-L944 VanDerWaalsContact O-CG 3.28Å; R940-L944 WeakPolarHBondContact O-CG 3.24Å; R940-L944 PolarHBondContact O-N 2.78Å; M941-L944 PolarHBondContact O-N 3.28Å; T942-L944 VanDerWaalsContact C-N 3.26Å; T942-L944 PolarHBondContact O-N 3.02Å
945	N	35.5	Very low	34.2	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	9	-179.6	-92.2	2.1	0	0	0	114.7	M941 Q947	M941-N945 PolarHBondContact O-N 3.01Å; N945-Q947 VanDerWaalsContact C-N 3.31Å; N945-Q947 PolarHBondContact O-N 3.47Å
946	E	32.8	Very low	33.8	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	15.4	174.7	-64.9	-160.7	140.2	0	0	114	P948	E946-P948 WeakPolarHBondContact O-CD 3.45Å
947	Q	29.6	Very low	33.3	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	72%	0.716	S	S	*	*	S	Bend	trans	-82.6	120.2	166.5	-73.6	-165	-9.4	0	0	111	N945 L949	N945-Q947 VanDerWaalsContact C-N 3.31Å; N945-Q947 PolarHBondContact O-N 3.47Å; Q947-L949 PolarHBondContact O-N 3.11Å; Q947-L949 VanDerWaalsContact O-N 3.17Å
948	P	27.8	Very low	33.1	Very low	105 Å²	105	143.7 Å²	143.7	68%	0.682	73%	0.73	S	S	*	*			trans	-75.6	106.4	177.6	29.9	-33.1	0	0	0	110.4	E946 Q950	E946-P948 WeakPolarHBondContact O-CD 3.45Å; P948-Q950 PolarHBondContact O-N 2.95Å
949	L	30.8	Very low	32.7	Very low	152 Å²	152	149.3 Å²	149.3	80%	0.796	75%	0.754	S	S	*	*			trans	-63.2	102.3	167.9	-98.6	87.5	0	0	0	109.9	Q947 M951	Q947-L949 PolarHBondContact O-N 3.11Å; Q947-L949 VanDerWaalsContact O-N 3.17Å; L949-M951 PolarHBondContact O-N 3.4Å
950	Q	27.1	Very low	32.3	Very low	169 Å²	169	152.1 Å²	152.1	79%	0.79	77%	0.768	S	S	*	*			trans	-72.2	71.7	163.9	-69.5	-172.2	-19.7	0	0	109.7	P948 N952	P948-Q950 PolarHBondContact O-N 2.95Å; Q950-N952 PolarHBondContact O-N 3.29Å
951	M	29.6	Very low	31.9	Very low	166 Å²	166	148.3 Å²	148.3	82%	0.818	77%	0.768	S	S	*	*			trans	-68.5	102.6	170.4	-155.7	69.8	173.4	0	0	107.8	L949	L949-M951 PolarHBondContact O-N 3.4Å
952	N	30.5	Very low	31.7	Very low	150 Å²	150	148 Å²	148	80%	0.802	78%	0.775	S	S	*	*			trans	-71	137.7	-164.1	-165.6	4.7	0	0	0	112.1	Q950 K954	Q950-N952 PolarHBondContact O-N 3.29Å; N952-K954 PolarHBondContact O-N 2.93Å
953	N	28.8	Very low	31.3	Very low	159 Å²	159	150.4 Å²	150.4	85%	0.85	79%	0.785	S	S	*	*			trans	-63.2	115.6	177.7	-81.5	-38.3	0	0	0	110.7
954	K	32.1	Very low	31.3	Very low	208 Å²	208	153.9 Å²	153.9	90%	0.904	79%	0.791	S	S	*	*			trans	-130.9	131	160.2	-132.1	177.5	-178.1	-173.8	0	110.1	N952	N952-K954 PolarHBondContact O-N 2.93Å
955	K	32.7	Very low	31	Very low	205 Å²	205	154.1 Å²	154.1	89%	0.891	79%	0.793	S	S	*	*			trans	-70.2	146.5	-166.2	-63.6	175.4	175.6	178	0	112
956	T	27	Very low	30.8	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	79%	0.792	S	S	*	*			trans	-59.5	127.4	145.5	47.5	0	0	0	0	109.4
957	N	28.6	Very low	30.7	Very low	148 Å²	148	154.3 Å²	154.3	79%	0.791	79%	0.793	S	S	*	*			trans	166	100.2	140.2	-89	5.1	0	0	0	109.2
958	E	33.8	Very low	30.6	Very low	198 Å²	198	152.6 Å²	152.6	93%	0.925	79%	0.794	S	S	*	*			trans	-161.7	136.6	139.9	-113.2	152.2	-146.3	0	0	108.8
959	Q	29.2	Very low	30.6	Very low	183 Å²	183	156.7 Å²	156.7	86%	0.855	80%	0.804	S	S	*	*			trans	-81	150.8	171.4	-60.2	160	-80	0	0	108.1
960	I	33.5	Very low	30.3	Very low	172 Å²	172	159.1 Å²	159.1	88%	0.882	81%	0.809	S	S	*	*				-162.3	145.6	129.6	-102.3	149.7	0	0	0	110.5
961	T	31.1	Very low	30.5	Very low	120 Å²	120	159.3 Å²	159.3	74%	0.736	81%	0.814	S	S	*	*			trans	-80.4	151.6	-168	34.3	0	0	0	0	115.7
962	S	33.7	Very low	30.3	Very low	98 Å²	98	158.4 Å²	158.4	69%	0.685	81%	0.807	S	S	*	*			trans	96.7	138.9	130.5	70.9	0	0	0	0	122.5
963	N	33.2	Very low	30.1	Very low	131 Å²	131	159.3 Å²	159.3	70%	0.701	80%	0.804	S	S	*	*			trans	75.5	93.1	143.1	-67.8	4.2	0	0	0	121.7
964	N	32.5	Very low	30.1	Very low	130 Å²	130	156.9 Å²	156.9	70%	0.695	79%	0.791	S	S	*	*				85.1	128.1	111.1	-66.3	-3.7	0	0	0	121.5
965	N	31.9	Very low	29.9	Very low	133 Å²	133	150.9 Å²	150.9	71%	0.711	79%	0.789	S	S	*	*			trans	84	121.9	146.8	-59.7	-8.2	0	0	0	119.3
966	N	30.9	Very low	29.7	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	78%	0.784	S	S	*	*			trans	57	95.4	145.3	-51.7	-10.9	0	0	0	115.5
967	Q	30.2	Very low	29.8	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	79%	0.788	S	S	*	*				-171.1	160.2	72.6	-92.6	165.1	-29.1	0	0	112.4
968	T	27.2	Very low	30	Very low	125 Å²	125	152.5 Å²	152.5	77%	0.767	80%	0.795	S	S	*	*			trans	7.5	113.7	158.4	54	0	0	0	0	119.4
969	E	29.4	Very low	29.8	Very low	191 Å²	191	149 Å²	149	89%	0.893	78%	0.783	S	S	*	*				-170.1	176.3	107.3	-104.7	177.6	-175.1	0	0	112.4
970	F	24.5	Very low	29.8	Very low	204 Å²	204	147.7 Å²	147.7	90%	0.895	78%	0.775	S	S	*	*			trans	-65.3	139.2	-173.3	-83	-117.2	0	0	0	113.5
971	I	30.4	Very low	29.9	Very low	173 Å²	173	146.1 Å²	146.1	89%	0.887	77%	0.768	S	S	*	*			trans	-163.8	149.5	135.7	-102.3	150	0	0	0	110.7
972	Q	25.6	Very low	29.9	Very low	146 Å²	146	149.7 Å²	149.7	68%	0.682	77%	0.77	S	S	*	*			trans	-89.3	147	-179.1	160.6	-172	-3.2	0	0	111.2
973	F	26.4	Very low	30	Very low	169 Å²	169	152.9 Å²	152.9	74%	0.741	77%	0.774	S	S	*	*				-175.1	162	125.4	-114.5	-86.5	0	0	0	115.2
974	D	28.4	Very low	30.2	Very low	108 Å²	108	154.9 Å²	154.9	58%	0.578	78%	0.779	S	S	*	*			trans	-45.2	153.5	-165.6	-53.2	-23.6	0	0	0	120.4
975	G	29	Very low	30.1	Very low	83 Å²	83	156 Å²	156	86%	0.856	78%	0.778	S	S	*	*			trans	-109.4	93.8	155.2	0	0	0	0	0	111.5
976	N	28.3	Very low	30.5	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	77%	0.765	S	S	*	*			trans	-84.6	113.3	168	-81.1	-32.2	0	0	0	110.1
977	Q	29.2	Very low	31	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	76%	0.755	S	S	*	*			trans	-160.7	105.8	150.7	-151.2	167.1	9.5	0	0	113.8
978	L	32.6	Very low	31.6	Very low	182 Å²	182	145 Å²	145	95%	0.953	74%	0.736	S	S	*	*			trans	-166.9	144.6	141.8	-104.6	158.4	0	0	0	107.6
979	D	29.6	Very low	32.6	Very low	125 Å²	125	143.7 Å²	143.7	67%	0.668	72%	0.723	S	S	*	*			trans	-140.7	-179.6	-148.7	-165	2.9	0	0	0	111.2
980	F	29.2	Very low	33.4	Very low	156 Å²	156	136.1 Å²	136.1	68%	0.684	70%	0.696	S	S	*	*			trans	91.7	116.8	167.1	-59.1	-77.9	0	0	0	120.4
981	D	33.9	Very low	34.8	Very low	138 Å²	138	129.9 Å²	129.9	74%	0.738	68%	0.678	S	S	*	*				73.5	36.7	127.3	-57.9	-8.1	0	0	0	121.9
982	Y	31.3	Very low	36.1	Very low	196 Å²	196	126.5 Å²	126.5	77%	0.769	66%	0.661	S	S	*	*	S	Bend	trans	-111.9	-18.5	164.7	-126.3	-94.6	0	0	0	116.2	T986	Y982-T986 HydrophobicContact CD1-CG2 4.23Å; Y982-T986 WeakPolarHBondContact O-CG2 3.39Å; Y982-T986 PolarHBondContact O-OG1 2.93Å
983	E	35.6	Very low	37.5	Very low	165 Å²	165	122.2 Å²	122.2	77%	0.771	65%	0.647	S	S	*	*	H	α-helix	trans	-80.6	-27.4	-175.4	-63.7	-157	136.7	0	0	114.5	F985 T986 T987	E983-F985 VanDerWaalsContact C-N 3.34Å; E983-F985 PolarHBondContact O-N 2.84Å; E983-T986 WeakPolarHBondContact CA-OG1 3.31Å; E983-T986 PolarHBondContact O-OG1 3.31Å; E983-T986 VanDerWaalsContact O-OG1 3.12Å; E983-T987 WeakPolarHBondContact O-CG2 3.35Å; E983-T987 PolarHBondContact O-N 3.48Å; E983-T987 PolarHBondContact O-OG1 3.44Å
984	Q	37.4	Very low	39	Very low	173 Å²	173	118.5 Å²	118.5	81%	0.808	64%	0.638	S	S	*	*	H	α-helix	trans	-77.4	-21.1	-177.3	-142.1	175.6	36.3	0	0	113.1	T987	Q984-T987 PolarHBondContact O-OG1 2.74Å
985	F	32.2	Very low	40.8	Very low	153 Å²	153	118.6 Å²	118.6	67%	0.671	64%	0.638	S	S	*	*	H	α-helix	trans	-85.9	-38.8	174.9	-145.1	-91	0	0	0	112	E983 T987 S988 I989	E983-F985 VanDerWaalsContact C-N 3.34Å; E983-F985 PolarHBondContact O-N 2.84Å; F985-T987 VanDerWaalsContact C-N 3.33Å; F985-T987 PolarHBondContact O-N 3.18Å; F985-S988 PolarHBondContact O-N 2.81Å; F985-S988 PolarHBondContact O-OG 3.21Å; F985-I989 HydrophobicContact CD1-CD1 3.86Å; F985-I989 HydrophobicContact CE1-CD1 4.08Å; F985-I989 PolarHBondContact O-N 3.02Å
986	T	39.5	Very low	42.8	Very low	72 Å²	72	119.4 Å²	119.4	44%	0.442	62%	0.622	S	S	.	*	H	α-helix	trans	-67.8	-31.4	179.2	51	0	0	0	0	112.9	Y982 E983 S988 I989 G990	Y982-T986 HydrophobicContact CD1-CG2 4.23Å; Y982-T986 WeakPolarHBondContact O-CG2 3.39Å; Y982-T986 PolarHBondContact O-OG1 2.93Å; E983-T986 WeakPolarHBondContact CA-OG1 3.31Å; E983-T986 PolarHBondContact O-OG1 3.31Å; E983-T986 VanDerWaalsContact O-OG1 3.12Å; T986-S988 PolarHBondContact O-N 3.34Å; T986-I989 PolarHBondContact O-N 3.09Å; T986-G990 PolarHBondContact O-N 3.49Å
987	T	40.8	Very low	44.6	Very low	91 Å²	91	115.3 Å²	115.3	56%	0.558	60%	0.6	S	S	*	*	H	α-helix	trans	-67.3	-31	176.3	41.4	0	0	0	0	114	E983 Q984 F985 S991	E983-T987 WeakPolarHBondContact O-CG2 3.35Å; E983-T987 PolarHBondContact O-N 3.48Å; E983-T987 PolarHBondContact O-OG1 3.44Å; Q984-T987 PolarHBondContact O-OG1 2.74Å; F985-T987 VanDerWaalsContact C-N 3.33Å; F985-T987 PolarHBondContact O-N 3.18Å; T987-S991 PolarHBondContact O-N 3.33Å
988	S	43.7	Very low	46.3	Very low	63 Å²	63	109.1 Å²	109.1	44%	0.441	58%	0.581	S	S	.	*	H	α-helix	trans	-77.6	-38.4	175.2	73.1	0	0	0	0	112.8	F985 T986 G990 S991 L992	F985-S988 PolarHBondContact O-N 2.81Å; F985-S988 PolarHBondContact O-OG 3.21Å; T986-S988 PolarHBondContact O-N 3.34Å; S988-G990 VanDerWaalsContact C-N 3.26Å; S988-G990 PolarHBondContact O-N 2.96Å; S988-S991 PolarHBondContact O-N 3.31Å; S988-S991 PolarHBondContact O-OG 3.07Å; S988-L992 PolarHBondContact O-N 3.46Å; S988-L992 VanDerWaalsContact O-N 3.16Å
989	I	47.8	Very low	48.2	Very low	99 Å²	99	104.3 Å²	104.3	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-37.1	171.2	-64.1	172.5	0	0	0	110.1	F985 T986 S991 L992 S993	F985-I989 HydrophobicContact CD1-CD1 3.86Å; F985-I989 HydrophobicContact CE1-CD1 4.08Å; F985-I989 PolarHBondContact O-N 3.02Å; T986-I989 PolarHBondContact O-N 3.09Å; I989-S991 PolarHBondContact O-N 3.1Å; I989-L992 PolarHBondContact O-N 3.41Å; I989-S993 WeakPolarHBondContact O-CB 3.19Å; I989-S993 PolarHBondContact O-N 3.47Å
990	G	46.5	Very low	50.1	Low	31 Å²	31	105.7 Å²	105.7	32%	0.32	56%	0.556	S	S	.	*	H	α-helix	trans	-56.2	-47.7	173.7	0	0	0	0	0	113.3	T986 S988 S993 T994	T986-G990 PolarHBondContact O-N 3.49Å; S988-G990 VanDerWaalsContact C-N 3.26Å; S988-G990 PolarHBondContact O-N 2.96Å; G990-S993 PolarHBondContact O-N 2.74Å; G990-S993 PolarHBondContact O-OG 3.29Å; G990-T994 PolarHBondContact O-N 2.88Å; G990-T994 VanDerWaalsContact O-N 3.15Å
991	S	52.7	Low	51.8	Low	74 Å²	74	101.1 Å²	101.1	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-72.3	-33.1	-179.8	64.5	0	0	0	0	113.4	T987 S988 I989 S993 T994 L995	T987-S991 PolarHBondContact O-N 3.33Å; S988-S991 PolarHBondContact O-N 3.31Å; S988-S991 PolarHBondContact O-OG 3.07Å; I989-S991 PolarHBondContact O-N 3.1Å; S991-S993 VanDerWaalsContact C-N 3.34Å; S991-T994 PolarHBondContact O-N 2.89Å; S991-T994 PolarHBondContact O-OG1 2.98Å; S991-L995 PolarHBondContact O-N 3.41Å; S991-L995 VanDerWaalsContact O-N 3.1Å
992	L	57.7	Low	53.6	Low	102 Å²	102	100.4 Å²	100.4	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-41.1	169.8	-171.8	68.4	0	0	0	111.2	S988 I989 T994 L995 I996	S988-L992 PolarHBondContact O-N 3.46Å; S988-L992 VanDerWaalsContact O-N 3.16Å; I989-L992 PolarHBondContact O-N 3.41Å; L992-T994 VanDerWaalsContact C-N 3.33Å; L992-T994 PolarHBondContact O-N 3.1Å; L992-L995 PolarHBondContact O-N 3.33Å; L992-I996 HydrophobicContact CD1-CD1 4.44Å; L992-I996 HydrophobicContact CG-CD1 3.99Å; L992-I996 WeakPolarHBondContact O-CG1 3.42Å; L992-I996 PolarHBondContact O-N 2.77Å
993	S	56.5	Low	55.7	Low	55 Å²	55	96.1 Å²	96.1	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-36.3	179.4	84.5	0	0	0	0	112.8	I989 G990 S991 N997	I989-S993 WeakPolarHBondContact O-CB 3.19Å; I989-S993 PolarHBondContact O-N 3.47Å; G990-S993 PolarHBondContact O-N 2.74Å; G990-S993 PolarHBondContact O-OG 3.29Å; S991-S993 VanDerWaalsContact C-N 3.34Å; S993-N997 VanDerWaalsContact O-CB 3.28Å; S993-N997 WeakPolarHBondContact O-CB 3.36Å; S993-N997 PolarHBondContact O-N 3.16Å; S993-N997 VanDerWaalsContact O-N 3.09Å; S993-N997 PolarHBondContact O-ND2 3.36Å; S993-N997 VanDerWaalsContact O-ND2 3.16Å
994	T	56.8	Low	57.4	Low	91 Å²	91	91 Å²	91	56%	0.558	50%	0.496	S	S	*	.	H	α-helix	trans	-75.9	-36.4	177.8	56.1	0	0	0	0	111.9	G990 S991 L992 N997 A998	G990-T994 PolarHBondContact O-N 2.88Å; G990-T994 VanDerWaalsContact O-N 3.15Å; S991-T994 PolarHBondContact O-N 2.89Å; S991-T994 PolarHBondContact O-OG1 2.98Å; L992-T994 VanDerWaalsContact C-N 3.33Å; L992-T994 PolarHBondContact O-N 3.1Å; T994-N997 PolarHBondContact O-N 3.09Å; T994-A998 WeakPolarHBondContact O-CB 3.37Å; T994-A998 PolarHBondContact O-N 3.37Å
995	L	67.1	Low	58.9	Low	111 Å²	111	85.7 Å²	85.7	58%	0.581	48%	0.476	S	S	*	.	H	α-helix	trans	-60.6	-51.3	172.6	-173.4	75.1	0	0	0	111.4	S991 L992 N997 A998 V999	S991-L995 PolarHBondContact O-N 3.41Å; S991-L995 VanDerWaalsContact O-N 3.1Å; L992-L995 PolarHBondContact O-N 3.33Å; L995-N997 VanDerWaalsContact C-N 3.28Å; L995-N997 PolarHBondContact O-N 3.36Å; L995-A998 WeakPolarHBondContact O-CB 3.29Å; L995-A998 PolarHBondContact O-N 2.78Å; L995-A998 VanDerWaalsContact O-N 3.08Å; L995-V999 WeakPolarHBondContact O-CG2 3.43Å; L995-V999 PolarHBondContact O-N 3.19Å
996	I	71.1	Confident	60.7	Low	100 Å²	100	81.1 Å²	81.1	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-43.3	177.4	-68	169.3	0	0	0	110.2	L992 A998 V999 Y1000	L992-I996 HydrophobicContact CD1-CD1 4.44Å; L992-I996 HydrophobicContact CG-CD1 3.99Å; L992-I996 WeakPolarHBondContact O-CG1 3.42Å; L992-I996 PolarHBondContact O-N 2.77Å; I996-A998 VanDerWaalsContact C-N 3.32Å; I996-A998 PolarHBondContact O-N 2.81Å; I996-V999 PolarHBondContact O-N 3.49Å; I996-Y1000 WeakPolarHBondContact O-CB 3.36Å; I996-Y1000 PolarHBondContact O-N 3.24Å
997	N	66	Low	62.2	Low	60 Å²	60	82.7 Å²	82.7	32%	0.321	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-29	176.4	-102	-69.7	0	0	0	114.5	R765 S993 T994 L995 R1001	R765-N997 VanDerWaalsContact NH1-CB 3.33Å; R765-N997 PolarHBondContact NH1-OD1 2.7Å; R765-N997 PolarHBondContact NH2-OD1 3.26Å; S993-N997 VanDerWaalsContact O-CB 3.28Å; S993-N997 WeakPolarHBondContact O-CB 3.36Å; S993-N997 PolarHBondContact O-N 3.16Å; S993-N997 VanDerWaalsContact O-N 3.09Å; S993-N997 PolarHBondContact O-ND2 3.36Å; S993-N997 VanDerWaalsContact O-ND2 3.16Å; T994-N997 PolarHBondContact O-N 3.09Å; L995-N997 VanDerWaalsContact C-N 3.28Å; L995-N997 PolarHBondContact O-N 3.36Å; N997-R1001 WeakPolarHBondContact O-CG 3.27Å; N997-R1001 PolarHBondContact O-N 3.05Å
998	A	64.2	Low	63.5	Low	55 Å²	55	80.1 Å²	80.1	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-74.8	-42.5	174.8	0	0	0	0	0	111.3	T994 L995 I996 R1001 L1002	T994-A998 WeakPolarHBondContact O-CB 3.37Å; T994-A998 PolarHBondContact O-N 3.37Å; L995-A998 WeakPolarHBondContact O-CB 3.29Å; L995-A998 PolarHBondContact O-N 2.78Å; L995-A998 VanDerWaalsContact O-N 3.08Å; I996-A998 VanDerWaalsContact C-N 3.32Å; I996-A998 PolarHBondContact O-N 2.81Å; A998-R1001 WeakPolarHBondContact O-CB 3.29Å; A998-R1001 PolarHBondContact O-N 3.16Å; A998-L1002 PolarHBondContact O-N 3.28Å
999	V	72.9	Confident	64.8	Low	81 Å²	81	81.3 Å²	81.3	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-44.7	173.6	175.4	0	0	0	0	110.9	L995 I996 R1001 L1002 L1003	L995-V999 WeakPolarHBondContact O-CG2 3.43Å; L995-V999 PolarHBondContact O-N 3.19Å; I996-V999 PolarHBondContact O-N 3.49Å; V999-R1001 VanDerWaalsContact C-N 3.28Å; V999-R1001 PolarHBondContact O-N 2.91Å; V999-L1002 PolarHBondContact O-N 3.19Å; V999-L1002 VanDerWaalsContact O-N 3.16Å; V999-L1003 HydrophobicContact CG1-CD1 4.06Å; V999-L1003 HydrophobicContact CG1-CG 4.47Å; V999-L1003 WeakPolarHBondContact O-CG 3.35Å; V999-L1003 PolarHBondContact O-N 2.97Å
1000	Y	70.2	Confident	66	Low	154 Å²	154	83.4 Å²	83.4	60%	0.604	47%	0.466	S	S	*	.	H	α-helix	trans	-61.4	-36.7	177.3	-154.6	-85.2	0	0	0	112.1	I996 L1004	I996-Y1000 WeakPolarHBondContact O-CB 3.36Å; I996-Y1000 PolarHBondContact O-N 3.24Å; Y1000-L1004 VanDerWaalsContact O-CB 3.31Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1000-L1004 PolarHBondContact O-N 3.26Å
1001	R	63.9	Low	67.1	Low	59 Å²	59	88.6 Å²	88.6	22%	0.223	48%	0.484	C	S	.	.	H	α-helix	trans	-65.9	-45.5	172.2	-81.1	178.2	180	-119.9	-10.6	112.9	D764 N997 A998 V999 L1003 L1004 T1005	D764-R1001 PolarHBondContact O-NH1 2.81Å; D764-R1001 PolarHBondContact O-NH2 3.34Å; N997-R1001 WeakPolarHBondContact O-CG 3.27Å; N997-R1001 PolarHBondContact O-N 3.05Å; A998-R1001 WeakPolarHBondContact O-CB 3.29Å; A998-R1001 PolarHBondContact O-N 3.16Å; V999-R1001 VanDerWaalsContact C-N 3.28Å; V999-R1001 PolarHBondContact O-N 2.91Å; R1001-L1003 VanDerWaalsContact C-N 3.32Å; R1001-L1003 PolarHBondContact O-N 3.1Å; R1001-L1004 PolarHBondContact O-N 3.5Å; R1001-T1005 WeakPolarHBondContact O-CG2 3.37Å; R1001-T1005 PolarHBondContact O-N 2.97Å; R1001-T1005 PolarHBondContact O-OG1 3.1Å; R1001-T1005 VanDerWaalsContact O-OG1 3.1Å
1002	L	72.2	Confident	67.8	Low	123 Å²	123	87.5 Å²	87.5	64%	0.644	48%	0.48	S	S	*	.	H	α-helix	trans	-67.4	-35.9	-177.9	-164.1	144.2	0	0	0	111.6	A998 V999 T1005 S1006	A998-L1002 PolarHBondContact O-N 3.28Å; V999-L1002 PolarHBondContact O-N 3.19Å; V999-L1002 VanDerWaalsContact O-N 3.16Å; L1002-T1005 PolarHBondContact O-OG1 3.34Å; L1002-S1006 WeakPolarHBondContact O-CB 3.09Å; L1002-S1006 PolarHBondContact O-N 2.72Å; L1002-S1006 PolarHBondContact O-OG 3.42Å
1003	L	74.7	Confident	68.5	Low	106 Å²	106	87.7 Å²	87.7	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-63.2	-48.4	168.4	-71.3	171.5	0	0	0	111.4	V999 R1001 S1006 L1007	V999-L1003 HydrophobicContact CG1-CD1 4.06Å; V999-L1003 HydrophobicContact CG1-CG 4.47Å; V999-L1003 WeakPolarHBondContact O-CG 3.35Å; V999-L1003 PolarHBondContact O-N 2.97Å; R1001-L1003 VanDerWaalsContact C-N 3.32Å; R1001-L1003 PolarHBondContact O-N 3.1Å; L1003-S1006 PolarHBondContact O-N 2.92Å; L1003-S1006 PolarHBondContact O-OG 3.01Å; L1003-L1007 WeakPolarHBondContact O-CB 3.37Å; L1003-L1007 PolarHBondContact O-N 3.42Å
1004	L	71.1	Confident	69.3	Low	57 Å²	57	86.6 Å²	86.6	30%	0.298	48%	0.476	S	S	.	.	H	α-helix	trans	-68.4	-35.7	-178.2	-168.2	67.5	0	0	0	113.5	W761 Y1000 R1001 L1007 T1008	W761-L1004 HydrophobicContact CE3-CD2 3.47Å; W761-L1004 VanDerWaalsContact CE3-CD2 3.47Å; W761-L1004 HydrophobicContact CH2-CD2 4.44Å; W761-L1004 HydrophobicContact CZ3-CD2 3.37Å; Y1000-L1004 VanDerWaalsContact O-CB 3.31Å; Y1000-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1000-L1004 PolarHBondContact O-N 3.26Å; R1001-L1004 PolarHBondContact O-N 3.5Å; L1004-L1007 PolarHBondContact O-N 3.4Å; L1004-T1008 WeakPolarHBondContact O-CB 3.49Å; L1004-T1008 WeakPolarHBondContact O-CG2 3.41Å; L1004-T1008 PolarHBondContact O-N 3.48Å; L1004-T1008 PolarHBondContact O-OG1 3.44Å
1005	T	69.5	Low	69.9	Low	63 Å²	63	83.9 Å²	83.9	39%	0.387	47%	0.467	S	S	.	.	H	α-helix	trans	-69.7	-40.1	173.6	55.5	0	0	0	0	111.2	R1001 L1002 T1008 V1009	R1001-T1005 WeakPolarHBondContact O-CG2 3.37Å; R1001-T1005 PolarHBondContact O-N 2.97Å; R1001-T1005 PolarHBondContact O-OG1 3.1Å; R1001-T1005 VanDerWaalsContact O-OG1 3.1Å; L1002-T1005 PolarHBondContact O-OG1 3.34Å; T1005-T1008 WeakPolarHBondContact CA-OG1 3.25Å; T1005-T1008 PolarHBondContact O-N 2.95Å; T1005-T1008 PolarHBondContact O-OG1 3.49Å; T1005-T1008 VanDerWaalsContact O-OG1 3.13Å; T1005-V1009 WeakPolarHBondContact O-CB 3.47Å; T1005-V1009 VanDerWaalsContact O-CG2 3.29Å; T1005-V1009 WeakPolarHBondContact O-CG2 3.07Å; T1005-V1009 PolarHBondContact O-N 3.03Å
1006	S	69.8	Low	70	Confident	56 Å²	56	83.5 Å²	83.5	39%	0.392	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-41.9	173	72.8	0	0	0	0	112.1	L1002 L1003 V1009 M1010	L1002-S1006 WeakPolarHBondContact O-CB 3.09Å; L1002-S1006 PolarHBondContact O-N 2.72Å; L1002-S1006 PolarHBondContact O-OG 3.42Å; L1003-S1006 PolarHBondContact O-N 2.92Å; L1003-S1006 PolarHBondContact O-OG 3.01Å; S1006-V1009 PolarHBondContact O-N 3.38Å; S1006-M1010 WeakPolarHBondContact O-CB 3.37Å; S1006-M1010 WeakPolarHBondContact O-CG 3.26Å; S1006-M1010 PolarHBondContact O-N 3.39Å
1007	L	71	Confident	70.1	Confident	105 Å²	105	84 Å²	84	55%	0.55	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-44.6	176.2	-166.3	80.5	0	0	0	112.1	L1003 L1004 M1010 M1011	L1003-L1007 WeakPolarHBondContact O-CB 3.37Å; L1003-L1007 PolarHBondContact O-N 3.42Å; L1004-L1007 PolarHBondContact O-N 3.4Å; L1007-M1010 PolarHBondContact O-N 3.31Å; L1007-M1011 WeakPolarHBondContact O-CB 3.26Å; L1007-M1011 VanDerWaalsContact O-CG 3.24Å; L1007-M1011 WeakPolarHBondContact O-CG 3.29Å; L1007-M1011 PolarHBondContact O-N 3.29Å
1008	T	67.8	Low	70.5	Confident	37 Å²	37	85.6 Å²	85.6	23%	0.227	48%	0.479	C	S	.	.	H	α-helix	trans	-70.4	-34.8	179.5	47.4	0	0	0	0	112.5	V758 L1004 T1005 M1011 A1012	V758-T1008 HydrophobicContact CG1-CG2 4.21Å; V758-T1008 HydrophobicContact CG2-CG2 3.8Å; L1004-T1008 WeakPolarHBondContact O-CB 3.49Å; L1004-T1008 WeakPolarHBondContact O-CG2 3.41Å; L1004-T1008 PolarHBondContact O-N 3.48Å; L1004-T1008 PolarHBondContact O-OG1 3.44Å; T1005-T1008 WeakPolarHBondContact CA-OG1 3.25Å; T1005-T1008 PolarHBondContact O-N 2.95Å; T1005-T1008 PolarHBondContact O-OG1 3.49Å; T1005-T1008 VanDerWaalsContact O-OG1 3.13Å; T1008-M1011 PolarHBondContact O-N 2.92Å; T1008-A1012 VanDerWaalsContact O-CB 3.27Å; T1008-A1012 WeakPolarHBondContact O-CB 3.38Å; T1008-A1012 PolarHBondContact O-N 3.41Å
1009	V	71.5	Confident	70.7	Confident	89 Å²	89	85.6 Å²	85.6	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-64.8	-44.2	169.2	169.5	0	0	0	0	111.2	T1005 S1006 M1011 A1012 M1013	T1005-V1009 WeakPolarHBondContact O-CB 3.47Å; T1005-V1009 VanDerWaalsContact O-CG2 3.29Å; T1005-V1009 WeakPolarHBondContact O-CG2 3.07Å; T1005-V1009 PolarHBondContact O-N 3.03Å; S1006-V1009 PolarHBondContact O-N 3.38Å; V1009-M1011 PolarHBondContact O-N 3.34Å; V1009-A1012 PolarHBondContact O-N 3.01Å; V1009-M1013 HydrophobicContact CG1-CG 4.32Å; V1009-M1013 WeakPolarHBondContact O-CB 3.45Å; V1009-M1013 VanDerWaalsContact O-CG 3.29Å; V1009-M1013 WeakPolarHBondContact O-CG 3.41Å; V1009-M1013 PolarHBondContact O-N 3.16Å
1010	M	72.6	Confident	70.7	Confident	142 Å²	142	86.8 Å²	86.8	70%	0.7	48%	0.478	S	S	*	.	H	α-helix	trans	-61.8	-41.7	175.9	-74	-71.9	-75.8	0	0	112.1	S1006 L1007 G1014	S1006-M1010 WeakPolarHBondContact O-CB 3.37Å; S1006-M1010 WeakPolarHBondContact O-CG 3.26Å; S1006-M1010 PolarHBondContact O-N 3.39Å; L1007-M1010 PolarHBondContact O-N 3.31Å; M1010-G1014 PolarHBondContact O-N 3.2Å
1011	M	70.7	Confident	70.8	Confident	141 Å²	141	85.1 Å²	85.1	70%	0.695	48%	0.476	S	S	*	.	H	α-helix	trans	-68	-38.3	175.6	-71.6	-72.9	-79.2	0	0	112.3	L1007 T1008 V1009 G1015	L1007-M1011 WeakPolarHBondContact O-CB 3.26Å; L1007-M1011 VanDerWaalsContact O-CG 3.24Å; L1007-M1011 WeakPolarHBondContact O-CG 3.29Å; L1007-M1011 PolarHBondContact O-N 3.29Å; T1008-M1011 PolarHBondContact O-N 2.92Å; V1009-M1011 PolarHBondContact O-N 3.34Å; M1011-G1015 PolarHBondContact O-N 3.41Å
1012	A	66.6	Low	71.2	Confident	51 Å²	51	87.3 Å²	87.3	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-42.6	175.9	0	0	0	0	0	112.2	T1008 V1009 G1015 L1016	T1008-A1012 VanDerWaalsContact O-CB 3.27Å; T1008-A1012 WeakPolarHBondContact O-CB 3.38Å; T1008-A1012 PolarHBondContact O-N 3.41Å; V1009-A1012 PolarHBondContact O-N 3.01Å; A1012-G1015 PolarHBondContact O-N 3.48Å; A1012-L1016 WeakPolarHBondContact O-CB 3.41Å; A1012-L1016 PolarHBondContact O-N 3.43Å
1013	M	72.2	Confident	71.1	Confident	106 Å²	106	86.2 Å²	86.2	52%	0.522	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-41.2	173.7	-71.7	-64.2	-69	0	0	111.6	V1009 L1016 L1017	V1009-M1013 HydrophobicContact CG1-CG 4.32Å; V1009-M1013 WeakPolarHBondContact O-CB 3.45Å; V1009-M1013 VanDerWaalsContact O-CG 3.29Å; V1009-M1013 WeakPolarHBondContact O-CG 3.41Å; V1009-M1013 PolarHBondContact O-N 3.16Å; M1013-L1016 PolarHBondContact O-N 2.91Å; M1013-L1017 WeakPolarHBondContact O-CB 3.35Å; M1013-L1017 VanDerWaalsContact O-CG 3.31Å; M1013-L1017 WeakPolarHBondContact O-CG 3.44Å; M1013-L1017 PolarHBondContact O-N 3.5Å
1014	G	74.6	Confident	71.1	Confident	31 Å²	31	83.9 Å²	83.9	32%	0.32	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-45.7	172.6	0	0	0	0	0	112.2	M1010 L1017 V1018	M1010-G1014 PolarHBondContact O-N 3.2Å; G1014-L1017 PolarHBondContact O-N 3.12Å; G1014-V1018 WeakPolarHBondContact O-CG2 3.36Å; G1014-V1018 PolarHBondContact O-N 3.1Å
1015	G	67.4	Low	71	Confident	35 Å²	35	84.2 Å²	84.2	36%	0.361	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-43	174.3	0	0	0	0	0	113	M1011 A1012 V1018 C1019	M1011-G1015 PolarHBondContact O-N 3.41Å; A1012-G1015 PolarHBondContact O-N 3.48Å; G1015-V1018 PolarHBondContact O-N 3.02Å; G1015-C1019 WeakPolarHBondContact O-CB 3.28Å; G1015-C1019 PolarHBondContact O-N 3.33Å; G1015-C1019 PolarHBondContact O-SG 3.31Å; G1015-C1019 VanDerWaalsContact O-SG 3.37Å
1016	L	69.3	Low	70.3	Confident	103 Å²	103	85 Å²	85	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-44	173.8	-94.9	166	0	0	0	112.3	A1012 M1013 C1019 L1020	A1012-L1016 WeakPolarHBondContact O-CB 3.41Å; A1012-L1016 PolarHBondContact O-N 3.43Å; M1013-L1016 PolarHBondContact O-N 2.91Å; L1016-C1019 PolarHBondContact O-N 2.88Å; L1016-L1020 WeakPolarHBondContact O-CB 2.94Å; L1016-L1020 VanDerWaalsContact O-CG 3.32Å; L1016-L1020 WeakPolarHBondContact O-CG 3.21Å; L1016-L1020 PolarHBondContact O-N 3.47Å
1017	L	73.3	Confident	69.8	Low	110 Å²	110	85.1 Å²	85.1	58%	0.576	49%	0.489	S	S	*	.	H	α-helix	trans	-64.8	-41.2	176.7	-74	168.3	0	0	0	111.9	M1013 G1014 L1020 H1021	M1013-L1017 WeakPolarHBondContact O-CB 3.35Å; M1013-L1017 VanDerWaalsContact O-CG 3.31Å; M1013-L1017 WeakPolarHBondContact O-CG 3.44Å; M1013-L1017 PolarHBondContact O-N 3.5Å; G1014-L1017 PolarHBondContact O-N 3.12Å; L1017-L1020 PolarHBondContact O-N 3.49Å; L1017-H1021 VanDerWaalsContact O-CB 3.23Å; L1017-H1021 WeakPolarHBondContact O-CB 2.91Å; L1017-H1021 PolarHBondContact O-N 3.08Å
1018	V	74.3	Confident	69.1	Low	93 Å²	93	89 Å²	89	56%	0.564	50%	0.496	S	S	*	.	H	α-helix	trans	-64.2	-44.2	174.2	169.9	0	0	0	0	111	G1014 G1015 H1021 M1022	G1014-V1018 WeakPolarHBondContact O-CG2 3.36Å; G1014-V1018 PolarHBondContact O-N 3.1Å; G1015-V1018 PolarHBondContact O-N 3.02Å; V1018-H1021 PolarHBondContact O-N 3.49Å; V1018-M1022 HydrophobicContact CG1-CG 4.36Å; V1018-M1022 WeakPolarHBondContact O-CB 3.49Å; V1018-M1022 VanDerWaalsContact O-CG 3.28Å; V1018-M1022 WeakPolarHBondContact O-CG 3.42Å; V1018-M1022 PolarHBondContact O-N 3.27Å
1019	C	69.4	Low	68.4	Low	55 Å²	55	93.1 Å²	93.1	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-44.9	175.3	-75.9	0	0	0	0	112.3	G1015 L1016 H1021 M1022 I1023	G1015-C1019 WeakPolarHBondContact O-CB 3.28Å; G1015-C1019 PolarHBondContact O-N 3.33Å; G1015-C1019 PolarHBondContact O-SG 3.31Å; G1015-C1019 VanDerWaalsContact O-SG 3.37Å; L1016-C1019 PolarHBondContact O-N 2.88Å; C1019-H1021 VanDerWaalsContact C-N 3.33Å; C1019-H1021 PolarHBondContact O-N 3.2Å; C1019-M1022 PolarHBondContact O-N 3.24Å; C1019-I1023 WeakPolarHBondContact O-CB 3.49Å; C1019-I1023 WeakPolarHBondContact O-CD1 3.09Å; C1019-I1023 VanDerWaalsContact O-CG1 3.27Å; C1019-I1023 WeakPolarHBondContact O-CG1 3.32Å; C1019-I1023 PolarHBondContact O-N 3.48Å
1020	L	72.6	Confident	66.9	Low	107 Å²	107	95.6 Å²	95.6	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-62.1	-39.4	174.6	-75.6	165.8	0	0	0	112	L1016 L1017 I1023 S1024	L1016-L1020 WeakPolarHBondContact O-CB 2.94Å; L1016-L1020 VanDerWaalsContact O-CG 3.32Å; L1016-L1020 WeakPolarHBondContact O-CG 3.21Å; L1016-L1020 PolarHBondContact O-N 3.47Å; L1017-L1020 PolarHBondContact O-N 3.49Å; L1020-I1023 PolarHBondContact O-N 3.21Å; L1020-S1024 WeakPolarHBondContact O-CB 3.28Å; L1020-S1024 PolarHBondContact O-N 3.15Å
1021	H	73.6	Confident	65.5	Low	118 Å²	118	95.4 Å²	95.4	55%	0.546	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-41.9	176.8	-168.7	-111.6	0	0	0	111.9	L1017 V1018 C1019 S1024 I1025	L1017-H1021 VanDerWaalsContact O-CB 3.23Å; L1017-H1021 WeakPolarHBondContact O-CB 2.91Å; L1017-H1021 PolarHBondContact O-N 3.08Å; V1018-H1021 PolarHBondContact O-N 3.49Å; C1019-H1021 VanDerWaalsContact C-N 3.33Å; C1019-H1021 PolarHBondContact O-N 3.2Å; H1021-S1024 WeakPolarHBondContact O-CB 3.46Å; H1021-S1024 PolarHBondContact O-N 2.97Å; H1021-I1025 WeakPolarHBondContact O-CG1 3.5Å; H1021-I1025 PolarHBondContact O-N 3.01Å
1022	M	70.6	Confident	63.6	Low	105 Å²	105	99.9 Å²	99.9	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-41.3	174.8	-71.4	-65.1	-73.7	0	0	112	V1018 C1019 S1024 I1025 L1026	V1018-M1022 HydrophobicContact CG1-CG 4.36Å; V1018-M1022 WeakPolarHBondContact O-CB 3.49Å; V1018-M1022 VanDerWaalsContact O-CG 3.28Å; V1018-M1022 WeakPolarHBondContact O-CG 3.42Å; V1018-M1022 PolarHBondContact O-N 3.27Å; C1019-M1022 PolarHBondContact O-N 3.24Å; M1022-S1024 VanDerWaalsContact C-N 3.34Å; M1022-I1025 PolarHBondContact O-N 2.87Å; M1022-L1026 WeakPolarHBondContact O-CB 3.47Å; M1022-L1026 WeakPolarHBondContact O-CG 3.38Å; M1022-L1026 PolarHBondContact O-N 3.25Å
1023	I	71.8	Confident	62.1	Low	100 Å²	100	104.9 Å²	104.9	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-40.5	173.5	-69.1	164.6	0	0	0	110.8	C1019 L1020 L1026 G1027	C1019-I1023 WeakPolarHBondContact O-CB 3.49Å; C1019-I1023 WeakPolarHBondContact O-CD1 3.09Å; C1019-I1023 VanDerWaalsContact O-CG1 3.27Å; C1019-I1023 WeakPolarHBondContact O-CG1 3.32Å; C1019-I1023 PolarHBondContact O-N 3.48Å; L1020-I1023 PolarHBondContact O-N 3.21Å; I1023-L1026 PolarHBondContact O-N 3.25Å; I1023-G1027 PolarHBondContact O-N 3.19Å
1024	S	72.8	Confident	60.7	Low	57 Å²	57	105.3 Å²	105.3	40%	0.399	56%	0.562	S	S	.	*	H	α-helix	trans	-63.9	-41.8	175.1	-174.7	0	0	0	0	112.5	L1020 H1021 M1022 R1028	L1020-S1024 WeakPolarHBondContact O-CB 3.28Å; L1020-S1024 PolarHBondContact O-N 3.15Å; H1021-S1024 WeakPolarHBondContact O-CB 3.46Å; H1021-S1024 PolarHBondContact O-N 2.97Å; M1022-S1024 VanDerWaalsContact C-N 3.34Å; S1024-R1028 WeakPolarHBondContact O-CG 3.42Å; S1024-R1028 PolarHBondContact O-N 2.89Å; S1024-R1028 VanDerWaalsContact O-N 3.11Å
1025	I	70.6	Confident	58.7	Low	64 Å²	64	110.5 Å²	110.5	33%	0.328	59%	0.587	S	S	.	*	H	α-helix	trans	-64.3	-49.7	174.7	-73.5	169.7	0	0	0	110.8	H1021 M1022 G1027 R1028 I1029	H1021-I1025 WeakPolarHBondContact O-CG1 3.5Å; H1021-I1025 PolarHBondContact O-N 3.01Å; M1022-I1025 PolarHBondContact O-N 2.87Å; I1025-G1027 VanDerWaalsContact C-N 3.32Å; I1025-G1027 PolarHBondContact O-N 3.29Å; I1025-R1028 CarbonylContact O-C 3.46Å; I1025-R1028 WeakPolarHBondContact O-CA 3.49Å; I1025-R1028 PolarHBondContact O-N 3.17Å; I1025-I1029 HydrophobicContact CG2-CD1 3.6Å; I1025-I1029 HydrophobicContact CG2-CG1 4.34Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.27Å; I1025-I1029 PolarHBondContact O-N 3Å
1026	L	54.8	Low	56.9	Low	81 Å²	81	119.5 Å²	119.5	42%	0.424	61%	0.61	S	S	.	*	H	α-helix	trans	-58.4	-44.3	177.6	-77.1	162.7	0	0	0	111.4	M1022 I1023 R1028 I1029 I1030	M1022-L1026 WeakPolarHBondContact O-CB 3.47Å; M1022-L1026 WeakPolarHBondContact O-CG 3.38Å; M1022-L1026 PolarHBondContact O-N 3.25Å; I1023-L1026 PolarHBondContact O-N 3.25Å; L1026-R1028 PolarHBondContact O-N 2.94Å; L1026-I1029 PolarHBondContact O-N 3.46Å; L1026-I1030 WeakPolarHBondContact O-CD1 3.42Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.49Å; L1026-I1030 PolarHBondContact O-N 3.17Å
1027	G	59	Low	55	Low	57 Å²	57	123.2 Å²	123.2	59%	0.588	62%	0.622	S	S	*	*	H	α-helix	trans	-61.2	-27.4	174.3	0	0	0	0	0	114.4	I1023 I1025	I1023-G1027 PolarHBondContact O-N 3.19Å; I1025-G1027 VanDerWaalsContact C-N 3.32Å; I1025-G1027 PolarHBondContact O-N 3.29Å
1028	R	56.4	Low	53.2	Low	187 Å²	187	122.9 Å²	122.9	71%	0.706	62%	0.624	S	S	*	*	H	α-helix	trans	-86.2	-22.7	175.2	-72.8	176	-178.1	-140.9	-0.5	114	S1024 I1025 L1026 I1031	S1024-R1028 WeakPolarHBondContact O-CG 3.42Å; S1024-R1028 PolarHBondContact O-N 2.89Å; S1024-R1028 VanDerWaalsContact O-N 3.11Å; I1025-R1028 CarbonylContact O-C 3.46Å; I1025-R1028 WeakPolarHBondContact O-CA 3.49Å; I1025-R1028 PolarHBondContact O-N 3.17Å; L1026-R1028 PolarHBondContact O-N 2.94Å; R1028-I1031 WeakPolarHBondContact O-CD1 3.46Å; R1028-I1031 WeakPolarHBondContact O-CG1 3.46Å
1029	I	52.1	Low	50.9	Low	123 Å²	123	128 Å²	128	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-79.7	-23.8	179.3	-71.9	172	0	0	0	111.9	I1025 L1026 I1031	I1025-I1029 HydrophobicContact CG2-CD1 3.6Å; I1025-I1029 HydrophobicContact CG2-CG1 4.34Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.27Å; I1025-I1029 PolarHBondContact O-N 3Å; L1026-I1029 PolarHBondContact O-N 3.46Å; I1029-I1031 PolarHBondContact O-N 3.16Å
1030	I	41.4	Very low	49.1	Very low	142 Å²	142	135.5 Å²	135.5	73%	0.728	66%	0.657	S	S	*	*			trans	-79.6	45	-179.7	-53.8	160.9	0	0	0	111.3	L1026	L1026-I1030 WeakPolarHBondContact O-CD1 3.42Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.49Å; L1026-I1030 PolarHBondContact O-N 3.17Å
1031	I	41.7	Very low	47.2	Very low	138 Å²	138	136.7 Å²	136.7	71%	0.708	67%	0.669	S	S	*	*			trans	-79.9	135.5	171	-70.8	171.1	0	0	0	109.2	R1028 I1029 I1033	R1028-I1031 WeakPolarHBondContact O-CD1 3.46Å; R1028-I1031 WeakPolarHBondContact O-CG1 3.46Å; I1029-I1031 PolarHBondContact O-N 3.16Å; I1031-I1033 PolarHBondContact O-N 3.02Å
1032	R	32.2	Very low	44.9	Very low	235 Å²	235	136.7 Å²	136.7	89%	0.887	68%	0.678	S	S	*	*			trans	-62	121.4	-173.1	-62.9	172.8	178.4	165.5	-2	112.1	P1034	R1032-P1034 WeakPolarHBondContact O-CD 3.31Å
1033	I	35	Very low	43	Very low	156 Å²	156	138.4 Å²	138.4	80%	0.8	69%	0.694	S	S	*	*			trans	-94.8	109.6	161	-61.8	174.3	0	0	0	108.4	I1031 V1035	I1031-I1033 PolarHBondContact O-N 3.02Å; I1033-V1035 PolarHBondContact O-N 3.45Å
1034	P	41	Very low	41	Very low	114 Å²	114	143.3 Å²	143.3	74%	0.74	71%	0.707	S	S	*	*			trans	-79.5	115.8	177.4	30.9	-32.7	0	0	0	110.8	R1032 R1036	R1032-P1034 WeakPolarHBondContact O-CD 3.31Å; P1034-R1036 PolarHBondContact O-N 3.1Å; P1034-R1036 VanDerWaalsContact O-N 3.14Å
1035	V	33.6	Very low	39.2	Very low	140 Å²	140	145.8 Å²	145.8	85%	0.848	72%	0.722	S	S	*	*			trans	-74	105.4	179.3	-172.1	0	0	0	0	110.2	I1033	I1033-V1035 PolarHBondContact O-N 3.45Å
1036	R	30	Very low	37.5	Very low	224 Å²	224	147.7 Å²	147.7	85%	0.845	74%	0.738	S	S	*	*			trans	-62.9	134.5	167.9	-82.2	-177	168.8	177.1	-3.9	109.8	P1034 V1038	P1034-R1036 PolarHBondContact O-N 3.1Å; P1034-R1036 VanDerWaalsContact O-N 3.14Å; R1036-V1038 PolarHBondContact O-N 3.02Å
1037	K	28.3	Very low	36.2	Very low	182 Å²	182	149.9 Å²	149.9	79%	0.791	76%	0.76	S	S	*	*			trans	-65.5	129.9	160	-74.2	-175.3	176.1	-176.4	0	108.6
1038	V	35.2	Very low	34.9	Very low	102 Å²	102	153.2 Å²	153.2	62%	0.618	77%	0.77	S	S	*	*			trans	-131.3	122.5	164.7	-174.6	0	0	0	0	106.6	R1036 Y1040	R1036-V1038 PolarHBondContact O-N 3.02Å; V1038-Y1040 HydrophobicContact CG1-CD2 3.84Å; V1038-Y1040 HydrophobicContact CG1-CE2 3.55Å
1039	Y	27.7	Very low	33.7	Very low	200 Å²	200	150.1 Å²	150.1	78%	0.784	78%	0.776	S	S	*	*			trans	-84.1	137.7	170.3	-73.5	-102.9	0	0	0	108.2
1040	Y	30.6	Very low	32.8	Very low	214 Å²	214	150.9 Å²	150.9	84%	0.839	78%	0.78	S	S	*	*			trans	-129.6	139.8	160.3	-88.5	-71.4	0	0	0	109.5	V1038	V1038-Y1040 HydrophobicContact CG1-CD2 3.84Å; V1038-Y1040 HydrophobicContact CG1-CE2 3.55Å
1041	T	32	Very low	32.5	Very low	132 Å²	132	152.5 Å²	152.5	81%	0.81	79%	0.785	S	S	*	*			trans	-89.9	168.1	-171.1	48.1	0	0	0	0	112.1
1042	T	26.5	Very low	32.1	Very low	118 Å²	118	152.9 Å²	152.9	72%	0.724	79%	0.788	S	S	*	*			trans	-65.9	150.1	179.5	42.9	0	0	0	0	113.3
1043	V	30.7	Very low	32.3	Very low	141 Å²	141	146.9 Å²	146.9	86%	0.855	78%	0.78	S	S	*	*			trans	-128.9	95.7	150.8	-178.4	0	0	0	0	107.1
1044	Y	30.4	Very low	32.2	Very low	202 Å²	202	144 Å²	144	79%	0.792	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-85.1	127.8	160.7	-102	-88.6	0	0	0	107.5	P1046	Y1044-P1046 WeakPolarHBondContact O-CD 3.32Å
1045	P	34.7	Very low	31.8	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.7	119.4	149.9	29.8	-28.4	0	0	0	107.4
1046	P	34.8	Very low	31.8	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.4	154.2	175.2	31.5	-34.6	0	0	0	110.5	Y1044 T1048	Y1044-P1046 WeakPolarHBondContact O-CD 3.32Å; P1046-T1048 PolarHBondContact O-N 2.56Å
1047	S	26.9	Very low	32.2	Very low	126 Å²	126	136.4 Å²	136.4	88%	0.881	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.7	127.7	169.8	39.8	0	0	0	0	110.9
1048	T	32.6	Very low	32.6	Very low	128 Å²	128	133.5 Å²	133.5	79%	0.785	76%	0.759	S	S	*	*			trans	-127.9	117.5	171.1	48.3	0	0	0	0	110.1	P1046	P1046-T1048 PolarHBondContact O-N 2.56Å
1049	S	30.2	Very low	32.6	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	76%	0.764	S	S	*	*			trans	-91.1	140.7	-178.6	44.6	0	0	0	0	112.1
1050	I	33.7	Very low	33	Very low	140 Å²	140	133.2 Å²	133.2	72%	0.718	76%	0.76	S	S	*	*			trans	-142	126.2	172.5	-65.3	-175	0	0	0	109.1
1051	H	34.2	Very low	33.3	Very low	176 Å²	176	130 Å²	130	82%	0.815	75%	0.752	S	S	*	*			trans	59.7	111.4	175.3	-54.7	-40.5	0	0	0	117
1052	N	32.8	Very low	33.6	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	75%	0.746	S	S	*	*			cis	75.4	136.9	25.7	-156.8	52.7	0	0	0	113.7
1053	P	38	Very low	34.1	Very low	110 Å²	110	128.4 Å²	128.4	71%	0.714	75%	0.747	S	S	*	*			cis	-116.6	-160.6	5.1	46.1	-32.4	0	0	0	112.4
1054	S	32.6	Very low	34.4	Very low	95 Å²	95	126 Å²	126	66%	0.664	74%	0.737	S	S	*	*			cis	-159.5	153.7	12.2	50.4	0	0	0	0	113.9
1055	C	32.1	Very low	34.7	Very low	122 Å²	122	124.2 Å²	124.2	82%	0.824	74%	0.735	S	S	*	*			trans	68.1	141.9	163.7	-60.9	0	0	0	0	118.5
1056	S	34.2	Very low	34.9	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	74%	0.738	S	S	*	*			cis	-166.9	145.4	-15.2	47.8	0	0	0	0	111.4
1057	S	38.7	Very low	35.2	Very low	100 Å²	100	131 Å²	131	70%	0.699	77%	0.769	S	S	*	*			trans	56.8	136	152.2	56.1	0	0	0	0	120.7
1058	T	36.4	Very low	35.6	Very low	121 Å²	121	131.2 Å²	131.2	74%	0.742	76%	0.764	S	S	*	*			cis	-174	146.9	-4	20.7	0	0	0	0	110.3
1059	V	34.7	Very low	35.7	Very low	117 Å²	117	131.4 Å²	131.4	71%	0.709	76%	0.763	S	S	*	*			trans	65.4	131.9	135.1	172.2	0	0	0	0	118.5
1060	Y	36	Very low	36	Very low	180 Å²	180	131.9 Å²	131.9	71%	0.706	76%	0.758	S	S	*	*			cis	-170.4	167.1	0.1	-126.3	-157.5	0	0	0	112.6
1061	Q	37.5	Very low	36.2	Very low	145 Å²	145	131.5 Å²	131.5	68%	0.678	76%	0.76	S	S	*	*			trans	40.6	151.5	136.7	-75.9	-173.3	-19.2	0	0	123.8
1062	T	37.1	Very low	36.3	Very low	109 Å²	109	128.7 Å²	128.7	67%	0.669	76%	0.757	S	S	*	*			cis	-172.1	169.6	-28.9	16	0	0	0	0	108.7
1063	S	37	Very low	36.5	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	76%	0.756	S	S	*	*			trans	74	159.8	149	76.1	0	0	0	0	119.6
1064	S	38.4	Very low	36.4	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	76%	0.759	S	S	*	*			cis	-172.9	151.8	-43	55.3	0	0	0	0	111.6
1065	Q	37.1	Very low	36.7	Very low	164 Å²	164	131.5 Å²	131.5	77%	0.766	77%	0.766	S	S	*	*			trans	71.8	133.8	145.8	-81.2	176.1	-20.5	0	0	122.3
1066	H	37.6	Very low	37.1	Very low	165 Å²	165	132.3 Å²	132.3	76%	0.764	76%	0.761	S	S	*	*			trans	59.3	94.4	143.7	-65.3	-57.5	0	0	0	121.6
1067	S	40.7	Very low	37.4	Very low	191 Å²	191	135.5 Å²	135.5	100%	1.336	77%	0.769	S	S	*	*				-139.1	0	110.7	69.8	0	0	0	0	110.3

Retrieved 1,067 of 1,067 residues in 998 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).