A0A096NP58_PAPAN Loading...

A-kinase anchoring protein 3

AlphaFold DB , UniProt , Accession A0A096NP58, Species PAPAN (Papio anubis, Olive baboon), Gene AKAP3, Length 857 aa.

						>A0A096NP58_PAPAN|A0A096NP58|AKAP3
MADKVDWLQSQNGVCKVDVYSPGDNQAQDWKMDTSTDPVRVLSWLRRDLEKSTAEFQDVRFKPGESFGGETSNSGDPHKGFSVDYYNNTKGTPERLHFEMTHKENPCQGPRAQLGNGSSVDEVSFYANRLTNLVIAMARKEINEKIDGSENKCVHQSLYMGNEPPPTKSLSKIASELVNETVSACSRNAAPDKAPGSGDRASGSSQSPPNLKYKSTLKIEERAKERQGPEDKPASKKSFFYKEVFESRNGDYARESGRFFPRERKRFRGQERPDDFTASVSEGIMTYANSVVSDMMVSIMKTLKIQVKDTTLATILLKKVLLKHAKDVVSDLIDSFMRNLHSITGTLMTDTQFVSAVKRTVFTHGSQKAADIMDAMLRKLYNVMFVKKVPEHVRKAQDTAESYSLISMKGMGDPKHRNVNFHMKSETKLREQMYSEPKSEEETCAKTLGEHIIKEGLTLWHKSQQKECKSLGFQHAACEAPNTQCKPSPDISFEYPEDICNLSPPPYPPEKPENFICDSDSWAKDLIVSALLLIQYHLAQGGRRDAQSFLEAAGTTNFPANEPPVVPDASCLKSAPIVGDQEQAEKKDLRSVFFNFIRNLLSETIFKRDQSSEPKVPEQPVKEDRKLCERPLAPSPPKLCEDDETPGALSGLTKMVVSQIDGHMSGQMVEHLMNSVMKLCVIIAKSCDSSLAELGDDKLGDDKSGDASRLTSAFPDSLYECLPVKGTGSAEALLQNAYQAIHNEMRGISGQPPEGCAAPKVIVSNHNLTDTVQNKQLQAVLQWVAASELNVPILYFAGDDEGIQEKLLQLSAAAVDKGCSVGEVLQSVLRYEKERQLNEAVGNVTPLQLLDWLMANL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	64.9	Low	231 Å²	231	116.8 Å²	116.8	100%	1.138	60%	0.596	S	S	*	*				0	47	0	-56.6	-172.6	-169.3	0	0	110.9
2	A	34.6	Very low	66.4	Low	97 Å²	97	111.2 Å²	111.2	80%	0.802	57%	0.568	S	S	*	*			trans	-144.8	-9.5	169.4	0	0	0	0	0	111.3	K4	A2-K4 PolarHBondContact O-N 3.38Å
3	D	44.6	Very low	67.7	Low	129 Å²	129	106.5 Å²	106.5	69%	0.69	56%	0.564	S	S	*	*	S	Bend	trans	-56.2	126.3	162.2	-38.2	-83.7	0	0	0	109.1	V5	D3-V5 PolarHBondContact O-N 3.13Å
4	K	50.3	Low	69.1	Low	212 Å²	212	100 Å²	100	92%	0.922	53%	0.53	S	S	*	.			trans	-75.5	75.3	173.4	-74.6	-174.5	174.2	-177.3	0	109.6	A2 D6	A2-K4 PolarHBondContact O-N 3.38Å; K4-D6 PolarHBondContact O-N 3.48Å
5	V	64.3	Low	70.2	Confident	73 Å²	73	93.8 Å²	93.8	44%	0.442	50%	0.498	S	S	.	.			trans	-63.4	117.5	166.2	-175.4	0	0	0	0	107.5	D3 W7 E788	D3-V5 PolarHBondContact O-N 3.13Å; V5-W7 VanDerWaalsContact CG1-CD1 3.46Å; V5-W7 HydrophobicContact CG1-CG 4.42Å; V5-W7 PolarHBondContact O-N 2.93Å; V5-E788 VanDerWaalsContact CG1-OE1 3.24Å; V5-E788 WeakPolarHBondContact CG1-OE1 3.43Å
6	D	78.2	Confident	71.1	Confident	74 Å²	74	94.7 Å²	94.7	40%	0.396	50%	0.496	S	S	.	.			trans	-85.4	96.6	166.5	-175.6	-4.6	0	0	0	108.4	K4 L8 Q9 S10	K4-D6 PolarHBondContact O-N 3.48Å; D6-L8 PolarHBondContact O-N 3.48Å; D6-L8 VanDerWaalsContact O-N 3.1Å; D6-L8 WeakPolarHBondContact OD1-CB 3.31Å; D6-L8 PolarHBondContact OD1-N 2.86Å; D6-Q9 HydrophobicContact CB-CB 4.35Å; D6-Q9 PolarHBondContact O-N 3.49Å; D6-Q9 PolarHBondContact OD2-NE2 3.06Å; D6-S10 PolarHBondContact O-N 3.28Å; D6-S10 VanDerWaalsContact O-N 3.1Å
7	W	80	Confident	71.8	Confident	100 Å²	100	89.1 Å²	89.1	38%	0.379	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.2	-177.1	-70.3	38.4	0	0	0	112.1	V5 V784 A785 E788 G822 L825	V5-W7 VanDerWaalsContact CG1-CD1 3.46Å; V5-W7 HydrophobicContact CG1-CG 4.42Å; V5-W7 PolarHBondContact O-N 2.93Å; W7-V784 HydrophobicContact CE3-CG1 3.92Å; W7-V784 HydrophobicContact CZ3-CG1 3.98Å; W7-A785 HydrophobicContact CH2-CB 3.93Å; W7-A785 HydrophobicContact CZ3-CB 4.05Å; W7-E788 HydrophobicContact CD2-CG 4.26Å; W7-E788 HydrophobicContact CH2-CB 4.39Å; W7-E788 HydrophobicContact CH2-CG 4.44Å; W7-E788 HydrophobicContact CZ2-CB 4.48Å; W7-E788 HydrophobicContact CZ2-CG 4.05Å; W7-E788 HydrophobicContact CZ3-CB 4.49Å; W7-G822 WeakPolarHBondContact O-CA 3.42Å; W7-L825 HydrophobicContact CB-CD2 3.62Å
8	L	80.4	Confident	72.3	Confident	59 Å²	59	87.3 Å²	87.3	31%	0.309	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-20	175.6	-64.3	169.5	0	0	0	113.1	D6 L825 Q826 L829	D6-L8 PolarHBondContact O-N 3.48Å; D6-L8 VanDerWaalsContact O-N 3.1Å; D6-L8 WeakPolarHBondContact OD1-CB 3.31Å; D6-L8 PolarHBondContact OD1-N 2.86Å; L8-L825 HydrophobicContact CD2-CB 4.1Å; L8-L825 HydrophobicContact CD2-CD2 3.72Å; L8-L825 HydrophobicContact CD2-CG 3.66Å; L8-L825 HydrophobicContact CG-CD2 4.18Å; L8-Q826 HydrophobicContact CD2-CG 4.09Å; L8-Q826 PolarHBondContact O-NE2 3.45Å; L8-L829 HydrophobicContact CD1-CD1 4.15Å; L8-L829 HydrophobicContact CD2-CD1 3.56Å
9	Q	80.2	Confident	72.6	Confident	136 Å²	136	85.8 Å²	85.8	64%	0.636	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-2.8	175.9	-65.4	-175.5	61.4	0	0	112.7	D6 Q11	D6-Q9 HydrophobicContact CB-CB 4.35Å; D6-Q9 PolarHBondContact O-N 3.49Å; D6-Q9 PolarHBondContact OD2-NE2 3.06Å; Q9-Q11 PolarHBondContact O-N 2.92Å; Q9-Q11 PolarHBondContact O-NE2 3.49Å
10	S	80.6	Confident	72.5	Confident	11 Å²	11	86.1 Å²	86.1	8%	0.077	45%	0.448	C	S	.	.			trans	-54.8	121.6	-179.4	-178.5	0	0	0	0	111.6	D6 N12 E788 S820 G822	D6-S10 PolarHBondContact O-N 3.28Å; D6-S10 VanDerWaalsContact O-N 3.1Å; S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 WeakPolarHBondContact OG-CB 3.45Å; S10-N12 PolarHBondContact OG-N 2.85Å; S10-N12 PolarHBondContact OG-ND2 3.37Å; S10-E788 WeakPolarHBondContact CB-OE2 3.31Å; S10-E788 PolarHBondContact OG-OE2 2.93Å; S10-S820 WeakPolarHBondContact O-CB 3.42Å; S10-G822 PolarHBondContact O-N 3.39Å; S10-G822 VanDerWaalsContact O-N 3.07Å
11	Q	81.6	Confident	71.8	Confident	163 Å²	163	86.2 Å²	86.2	76%	0.762	46%	0.456	S	S	*	.			trans	-89.9	5.9	175.7	-59.2	-60.9	-74.7	0	0	112.2	Q9 G13	Q9-Q11 PolarHBondContact O-N 2.92Å; Q9-Q11 PolarHBondContact O-NE2 3.49Å; Q11-G13 PolarHBondContact O-N 2.91Å
12	N	83.1	Confident	72.4	Confident	49 Å²	49	80 Å²	80	26%	0.262	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-64.7	135.4	176.4	-66.2	-30.8	0	0	0	109.4	S10 E788 S820 V821	S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 WeakPolarHBondContact OG-CB 3.45Å; S10-N12 PolarHBondContact OG-N 2.85Å; S10-N12 PolarHBondContact OG-ND2 3.37Å; N12-E788 PolarHBondContact ND2-OE1 3.41Å; N12-E788 PolarHBondContact ND2-OE2 3.4Å; N12-S820 CarbonylContact O-C 3.55Å; N12-S820 VanDerWaalsContact O-CA 3.31Å; N12-S820 WeakPolarHBondContact O-CA 3.47Å; N12-V821 HydrophobicContact CB-CG2 4.16Å; N12-V821 WeakPolarHBondContact O-CG2 3.4Å; N12-V821 PolarHBondContact O-N 2.81Å
13	G	83.3	Confident	72.6	Confident	50 Å²	50	78.3 Å²	78.3	52%	0.515	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-69.6	149.1	174.9	0	0	0	0	0	111.5	Q11	Q11-G13 PolarHBondContact O-N 2.91Å
14	V	87	Confident	72.2	Confident	16 Å²	16	80.1 Å²	80.1	10%	0.097	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-70.1	147.9	174.8	-65.7	0	0	0	0	112.5	W783 A814 V815 C819 V824	V14-W783 HydrophobicContact CB-CH2 4.27Å; V14-W783 HydrophobicContact CB-CZ2 3.59Å; V14-W783 HydrophobicContact CG1-CH2 4.09Å; V14-W783 HydrophobicContact CG1-CZ2 3.88Å; V14-W783 HydrophobicContact CG2-CH2 4.49Å; V14-W783 HydrophobicContact CG2-CZ2 3.89Å; V14-A814 HydrophobicContact CG2-CB 3.77Å; V14-V815 HydrophobicContact CG2-CG2 3.94Å; V14-C819 PolarHBondContact N-O 3.4Å; V14-V824 HydrophobicContact CG1-CG2 3.73Å
15	C	85.4	Confident	71.5	Confident	7 Å²	7	78 Å²	78	5%	0.047	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-84.1	159.9	176.1	72.5	0	0	0	0	112.7	W783 S787 V791	C15-W783 PolarHBondContact O-NE1 3.12Å; C15-S787 PolarHBondContact N-OG 2.89Å; C15-S787 PolarHBondContact SG-OG 3.38Å; C15-S787 VanDerWaalsContact SG-OG 3.36Å; C15-V791 WeakPolarHBondContact CB-O 3.28Å
16	K	84.7	Confident	70.1	Confident	108 Å²	108	82.8 Å²	82.8	47%	0.47	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.6	174.4	-176.2	169.5	-179.8	177.6	0	110.3	P792 I793 L794	K16-P792 PolarHBondContact N-O 2.92Å; K16-I793 CarbonylContact O-C 3.54Å; K16-I793 VanDerWaalsContact O-CA 3.25Å; K16-I793 WeakPolarHBondContact O-CA 3.32Å; K16-L794 PolarHBondContact O-N 3.04Å
17	V	83.8	Confident	67.9	Low	0 Å²	0	83.7 Å²	83.7	0%	0	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.6	169	175.3	0	0	0	0	109.8	W783 L794 F796 L807 L808 S811	V17-W783 VanDerWaalsContact CG2-CD1 3.46Å; V17-W783 HydrophobicContact CG2-CG 4.07Å; V17-L794 CarbonylContact C-O 3.54Å; V17-L794 WeakPolarHBondContact CA-O 3.33Å; V17-F796 HydrophobicContact CG1-CD2 3.63Å; V17-F796 HydrophobicContact CG1-CE2 3.91Å; V17-F796 HydrophobicContact CG2-CE2 4.15Å; V17-L807 HydrophobicContact CG1-CG 4.49Å; V17-L807 HydrophobicContact CG2-CG 4.22Å; V17-L808 WeakPolarHBondContact O-CD1 3.5Å; V17-S811 WeakPolarHBondContact CB-OG 3.2Å; V17-S811 PolarHBondContact N-OG 3.4Å
18	D	80.8	Confident	65.8	Low	57 Å²	57	86.2 Å²	86.2	31%	0.305	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.3	178.1	-163.3	8.4	0	0	0	111.4	I793 L794 Y795 F796	D18-I793 HydrophobicContact CB-CG2 3.68Å; D18-L794 PolarHBondContact N-O 2.89Å; D18-Y795 HydrophobicContact CB-CD1 3.88Å; D18-Y795 HydrophobicContact CB-CE1 3.53Å; D18-Y795 VanDerWaalsContact CG-CE1 3.49Å; D18-Y795 WeakPolarHBondContact O-CA 3.32Å; D18-Y795 WeakPolarHBondContact OD2-CE1 3.46Å; D18-Y795 PolarHBondContact OD2-OH 2.88Å; D18-F796 PolarHBondContact O-N 2.85Å
19	V	76.9	Confident	63.5	Low	59 Å²	59	90.6 Å²	90.6	36%	0.358	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.8	-176.9	-177.8	0	0	0	0	110.6	S21 Q804 L808	V19-S21 PolarHBondContact O-N 3.28Å; V19-Q804 HydrophobicContact CG2-CG 4.46Å; V19-L808 HydrophobicContact CG2-CD2 4.22Å
20	Y	71.6	Confident	61.2	Low	91 Å²	91	95.9 Å²	95.9	36%	0.357	52%	0.523	S	S	.	.			trans	-79	88.3	170.9	-167.8	-90.6	0	0	0	111.4	P22 K760 I762 F796	Y20-P22 HydrophobicContact CD1-CG 4.4Å; Y20-P22 HydrophobicContact CE1-CB 4.49Å; Y20-P22 HydrophobicContact CE1-CG 4.16Å; Y20-P22 WeakPolarHBondContact O-CD 3.35Å; Y20-K760 HydrophobicContact CD2-CD 4.46Å; Y20-K760 HydrophobicContact CE2-CD 4.23Å; Y20-I762 HydrophobicContact CD2-CD1 3.64Å; Y20-I762 HydrophobicContact CD2-CG1 3.92Å; Y20-I762 HydrophobicContact CD2-CG2 4.43Å; Y20-I762 HydrophobicContact CE2-CD1 3.38Å; Y20-I762 HydrophobicContact CE2-CG1 4.16Å; Y20-F796 WeakPolarHBondContact CB-O 3.37Å; Y20-F796 PolarHBondContact N-O 3.46Å; Y20-F796 VanDerWaalsContact N-O 3.11Å
21	S	57.9	Low	58.6	Low	89 Å²	89	101 Å²	101	62%	0.622	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-81	121.4	163.4	-59	0	0	0	0	110.3	V19	V19-S21 PolarHBondContact O-N 3.28Å
22	P	50.6	Low	56.3	Low	100 Å²	100	100.4 Å²	100.4	65%	0.649	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-65.8	132.5	165.5	-14.9	30.1	0	0	0	109.6	Y20	Y20-P22 HydrophobicContact CD1-CG 4.4Å; Y20-P22 HydrophobicContact CE1-CB 4.49Å; Y20-P22 HydrophobicContact CE1-CG 4.16Å; Y20-P22 WeakPolarHBondContact O-CD 3.35Å
23	G	39.1	Very low	53.8	Low	62 Å²	62	103.3 Å²	103.3	64%	0.639	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-83.4	138.1	179.2	0	0	0	0	0	112.8	N25	G23-N25 PolarHBondContact O-N 2.94Å
24	D	37.6	Very low	51.5	Low	166 Å²	166	105.9 Å²	105.9	89%	0.888	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	10.4	-171.5	-63.7	-62	0	0	0	117.1
25	N	34.2	Very low	49.1	Very low	169 Å²	169	107.1 Å²	107.1	90%	0.904	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	18.7	-176.1	-75.1	-56.8	0	0	0	114.5	G23	G23-N25 PolarHBondContact O-N 2.94Å
26	Q	34.7	Very low	47.1	Very low	173 Å²	173	113.6 Å²	113.6	81%	0.808	61%	0.613	S	S	*	*	S	Bend	trans	-110.6	128.1	159.2	-76.7	-170.4	-8.2	0	0	110.4
27	A	31.8	Very low	45.1	Very low	92 Å²	92	110.8 Å²	110.8	76%	0.76	60%	0.603	S	S	*	*			trans	-64.1	133.6	172.9	0	0	0	0	0	110.3	D29	A27-D29 PolarHBondContact O-N 3.42Å
28	Q	36.1	Very low	43.3	Very low	153 Å²	153	114.4 Å²	114.4	72%	0.715	63%	0.627	S	S	*	*			trans	-80.6	55.2	-171.1	-64.6	-174.2	-4	0	0	114	W30 K31	Q28-W30 PolarHBondContact O-N 3.42Å; Q28-K31 PolarHBondContact O-N 2.87Å
29	D	32	Very low	41.7	Very low	152 Å²	152	116.4 Å²	116.4	81%	0.813	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-8.2	171	-77.9	-23.3	0	0	0	113	A27	A27-D29 PolarHBondContact O-N 3.42Å
30	W	31.4	Very low	40.4	Very low	246 Å²	246	120.3 Å²	120.3	93%	0.932	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	35.1	168.4	-68.8	89.3	0	0	0	112.9	Q28 M32	Q28-W30 PolarHBondContact O-N 3.42Å; W30-M32 PolarHBondContact O-N 3.03Å
31	K	27.3	Very low	39.4	Very low	120 Å²	120	120 Å²	120	52%	0.522	66%	0.657	S	S	.	*			trans	-71.4	76.7	161.8	-161.9	172.9	-173	-65.5	0	109	Q28 D33	Q28-K31 PolarHBondContact O-N 2.87Å; K31-D33 IonicContact NZ-OD1 3.54Å; K31-D33 PolarHBondContact NZ-OD1 3.12Å; K31-D33 IonicContact NZ-OD2 3.74Å; K31-D33 PolarHBondContact NZ-OD2 2.97Å; K31-D33 PolarHBondContact O-N 3.43Å
32	M	33.1	Very low	39	Very low	150 Å²	150	121.2 Å²	121.2	74%	0.739	66%	0.655	S	S	*	*			trans	-68	85	168.4	-172.9	162.4	78.4	0	0	108	W30 T34	W30-M32 PolarHBondContact O-N 3.03Å; M32-T34 HydrophobicContact CE-CG2 4.28Å; M32-T34 HydrophobicContact CG-CG2 4.28Å; M32-T34 PolarHBondContact O-N 3.15Å
33	D	30.4	Very low	39	Very low	109 Å²	109	118.9 Å²	118.9	58%	0.583	64%	0.641	S	S	*	*			trans	-69.3	74.5	171.9	-87.8	-27.6	0	0	0	109.5	K31 S35	K31-D33 IonicContact NZ-OD1 3.54Å; K31-D33 PolarHBondContact NZ-OD1 3.12Å; K31-D33 IonicContact NZ-OD2 3.74Å; K31-D33 PolarHBondContact NZ-OD2 2.97Å; K31-D33 PolarHBondContact O-N 3.43Å; D33-S35 PolarHBondContact O-N 3.3Å
34	T	34.4	Very low	39.9	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.644	64%	0.642	S	S	*	*			trans	-63.8	68	152.9	39.6	0	0	0	0	108.6	M32 T36	M32-T34 HydrophobicContact CE-CG2 4.28Å; M32-T34 HydrophobicContact CG-CG2 4.28Å; M32-T34 PolarHBondContact O-N 3.15Å; T34-T36 PolarHBondContact O-N 3.08Å; T34-T36 VanDerWaalsContact O-N 3.09Å
35	S	37.8	Very low	40.3	Very low	41 Å²	41	120.8 Å²	120.8	29%	0.287	62%	0.623	S	S	.	*			trans	-61.8	111.8	165.9	60.4	0	0	0	0	107.1	D33 D37 R40	D33-S35 PolarHBondContact O-N 3.3Å; S35-D37 PolarHBondContact O-N 3.27Å; S35-R40 PolarHBondContact OG-NH1 2.95Å
36	T	42.3	Very low	40.8	Very low	144 Å²	144	120.3 Å²	120.3	88%	0.883	61%	0.609	S	S	*	*			trans	-70.4	53.9	-179.8	-42.5	0	0	0	0	111.6	T34 P38	T34-T36 PolarHBondContact O-N 3.08Å; T34-T36 VanDerWaalsContact O-N 3.09Å; T36-P38 WeakPolarHBondContact O-CD 3.21Å
37	D	43.9	Very low	41.8	Very low	49 Å²	49	119.4 Å²	119.4	26%	0.262	60%	0.598	S	S	.	*			trans	-117.2	87.2	-175.1	178.2	-9.4	0	0	0	106.8	S35 V39 R40 V41	S35-D37 PolarHBondContact O-N 3.27Å; D37-V39 PolarHBondContact O-N 2.86Å; D37-V39 WeakPolarHBondContact OD1-CB 3.34Å; D37-V39 PolarHBondContact OD1-N 3.39Å; D37-R40 HydrophobicContact CB-CB 3.88Å; D37-R40 WeakPolarHBondContact O-CB 3.39Å; D37-R40 PolarHBondContact O-N 3.34Å; D37-R40 PolarHBondContact OD1-N 3.26Å; D37-R40 VanDerWaalsContact OD2-CB 3.29Å; D37-R40 WeakPolarHBondContact OD2-CB 3.36Å; D37-R40 IonicContact OD2-CZ 2.63Å; D37-R40 IonicContact OD2-NE 2.59Å; D37-R40 PolarHBondContact OD2-NE 2.9Å; D37-R40 IonicContact OD2-NH2 2.71Å; D37-R40 PolarHBondContact OD2-NH2 3.01Å; D37-V41 PolarHBondContact O-N 2.99Å
38	P	45.8	Very low	42.5	Very low	75 Å²	75	119.1 Å²	119.1	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-21.7	-179.8	25.6	-34	0	0	0	111.9	T36 L42	T36-P38 WeakPolarHBondContact O-CD 3.21Å; P38-L42 VanDerWaalsContact O-CB 3.31Å; P38-L42 WeakPolarHBondContact O-CB 3.42Å; P38-L42 WeakPolarHBondContact O-CG 3.39Å; P38-L42 PolarHBondContact O-N 3.05Å
39	V	46.4	Very low	43.1	Very low	100 Å²	100	116.8 Å²	116.8	61%	0.606	58%	0.576	S	S	*	*	H	α-helix	trans	-68.9	-40.4	173.6	-172.4	0	0	0	0	110.3	D37 S43	D37-V39 PolarHBondContact O-N 2.86Å; D37-V39 WeakPolarHBondContact OD1-CB 3.34Å; D37-V39 PolarHBondContact OD1-N 3.39Å; V39-S43 VanDerWaalsContact O-CB 3.28Å; V39-S43 WeakPolarHBondContact O-CB 3.27Å; V39-S43 PolarHBondContact O-N 2.89Å; V39-S43 PolarHBondContact O-OG 3.44Å
40	R	49.5	Very low	43.8	Very low	140 Å²	140	113.9 Å²	113.9	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-67.8	-41.1	173.3	-172.5	-175.9	-46.3	-168.6	1.3	112.8	S35 D37 S43 W44	S35-R40 PolarHBondContact OG-NH1 2.95Å; D37-R40 HydrophobicContact CB-CB 3.88Å; D37-R40 WeakPolarHBondContact O-CB 3.39Å; D37-R40 PolarHBondContact O-N 3.34Å; D37-R40 PolarHBondContact OD1-N 3.26Å; D37-R40 VanDerWaalsContact OD2-CB 3.29Å; D37-R40 WeakPolarHBondContact OD2-CB 3.36Å; D37-R40 IonicContact OD2-CZ 2.63Å; D37-R40 IonicContact OD2-NE 2.59Å; D37-R40 PolarHBondContact OD2-NE 2.9Å; D37-R40 IonicContact OD2-NH2 2.71Å; D37-R40 PolarHBondContact OD2-NH2 3.01Å; R40-S43 WeakPolarHBondContact O-CB 3.29Å; R40-S43 PolarHBondContact O-N 3.04Å; R40-W44 WeakPolarHBondContact O-CB 3.4Å; R40-W44 PolarHBondContact O-N 2.99Å
41	V	51.9	Low	44.5	Very low	85 Å²	85	108.3 Å²	108.3	52%	0.515	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-50.1	173.5	177.9	0	0	0	0	110	D37 S43 W44 L45	D37-V41 PolarHBondContact O-N 2.99Å; V41-S43 VanDerWaalsContact C-N 3.29Å; V41-S43 PolarHBondContact O-N 2.91Å; V41-W44 WeakPolarHBondContact O-CB 3.24Å; V41-W44 PolarHBondContact O-N 3.32Å; V41-W44 VanDerWaalsContact O-N 3.14Å; V41-L45 WeakPolarHBondContact O-CB 3.39Å; V41-L45 PolarHBondContact O-N 2.84Å
42	L	48.1	Very low	45.1	Very low	114 Å²	114	105.3 Å²	105.3	60%	0.597	53%	0.534	S	S	*	.	H	α-helix	trans	-62.9	-32	175.5	-71.2	169.8	0	0	0	113.1	P38 R46	P38-L42 VanDerWaalsContact O-CB 3.31Å; P38-L42 WeakPolarHBondContact O-CB 3.42Å; P38-L42 WeakPolarHBondContact O-CG 3.39Å; P38-L42 PolarHBondContact O-N 3.05Å; L42-R46 WeakPolarHBondContact O-CB 3.44Å; L42-R46 PolarHBondContact O-N 2.92Å
43	S	50.9	Low	45.5	Very low	51 Å²	51	102.2 Å²	102.2	36%	0.357	52%	0.523	S	S	.	.	H	α-helix	trans	-70.3	-34.3	174.1	-61.2	0	0	0	0	112.4	V39 R40 V41 R47	V39-S43 VanDerWaalsContact O-CB 3.28Å; V39-S43 WeakPolarHBondContact O-CB 3.27Å; V39-S43 PolarHBondContact O-N 2.89Å; V39-S43 PolarHBondContact O-OG 3.44Å; R40-S43 WeakPolarHBondContact O-CB 3.29Å; R40-S43 PolarHBondContact O-N 3.04Å; V41-S43 VanDerWaalsContact C-N 3.29Å; V41-S43 PolarHBondContact O-N 2.91Å; S43-R47 VanDerWaalsContact O-CB 3.25Å; S43-R47 WeakPolarHBondContact O-CB 3.24Å; S43-R47 PolarHBondContact O-N 3.48Å
44	W	57.7	Low	46	Very low	174 Å²	174	99.8 Å²	99.8	66%	0.659	52%	0.519	S	S	*	.	H	α-helix	trans	-70.7	-49.6	175.2	-149.9	90.5	0	0	0	110.1	R40 V41 R46 R47 D48	R40-W44 WeakPolarHBondContact O-CB 3.4Å; R40-W44 PolarHBondContact O-N 2.99Å; V41-W44 WeakPolarHBondContact O-CB 3.24Å; V41-W44 PolarHBondContact O-N 3.32Å; V41-W44 VanDerWaalsContact O-N 3.14Å; W44-R46 VanDerWaalsContact C-N 3.34Å; W44-R46 PolarHBondContact O-N 2.85Å; W44-R47 PolarHBondContact O-N 3.25Å; W44-R47 VanDerWaalsContact O-N 3.1Å; W44-D48 WeakPolarHBondContact O-CB 3.46Å; W44-D48 PolarHBondContact O-N 3.49Å
45	L	46.2	Very low	46.2	Very low	94 Å²	94	101.2 Å²	101.2	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-40.7	176.3	-133	162.3	0	0	0	112	V41 L49	V41-L45 WeakPolarHBondContact O-CB 3.39Å; V41-L45 PolarHBondContact O-N 2.84Å; L45-L49 HydrophobicContact CD2-CD1 3.84Å; L45-L49 HydrophobicContact CD2-CG 4.32Å; L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 VanDerWaalsContact O-CG 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 2.68Å
46	R	46	Very low	46.3	Very low	159 Å²	159	107.3 Å²	107.3	60%	0.6	54%	0.54	S	S	*	.	H	α-helix	trans	-61	-49.3	170.9	175.4	-179.8	170.2	-175.4	-3.4	111.5	L42 W44 D48 L49 E50	L42-R46 WeakPolarHBondContact O-CB 3.44Å; L42-R46 PolarHBondContact O-N 2.92Å; W44-R46 VanDerWaalsContact C-N 3.34Å; W44-R46 PolarHBondContact O-N 2.85Å; R46-D48 VanDerWaalsContact C-N 3.27Å; R46-D48 PolarHBondContact O-N 2.61Å; R46-L49 PolarHBondContact O-N 2.91Å; R46-E50 HydrophobicContact CG-CG 4.3Å; R46-E50 IonicContact CZ-OE1 2.74Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 2.63Å; R46-E50 IonicContact NE-OE2 2.73Å; R46-E50 IonicContact NH2-OE1 3.17Å; R46-E50 PolarHBondContact NH2-OE1 3.22Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 WeakPolarHBondContact O-CG 3.46Å; R46-E50 PolarHBondContact O-N 3.19Å
47	R	54.4	Low	46.2	Very low	155 Å²	155	108.1 Å²	108.1	59%	0.585	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-32.8	-177.4	-168.1	-178.3	-63.2	124.4	-2.7	111.9	S43 W44 K51	S43-R47 VanDerWaalsContact O-CB 3.25Å; S43-R47 WeakPolarHBondContact O-CB 3.24Å; S43-R47 PolarHBondContact O-N 3.48Å; W44-R47 PolarHBondContact O-N 3.25Å; W44-R47 VanDerWaalsContact O-N 3.1Å; R47-K51 VanDerWaalsContact O-CB 3.28Å; R47-K51 WeakPolarHBondContact O-CB 3.37Å; R47-K51 PolarHBondContact O-N 3.13Å
48	D	46.4	Very low	45.9	Very low	85 Å²	85	113.2 Å²	113.2	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-74.9	-38	176.3	-149.3	49.6	0	0	0	111.8	W44 R46 K51 S52	W44-D48 WeakPolarHBondContact O-CB 3.46Å; W44-D48 PolarHBondContact O-N 3.49Å; R46-D48 VanDerWaalsContact C-N 3.27Å; R46-D48 PolarHBondContact O-N 2.61Å; D48-K51 PolarHBondContact O-N 3.14Å; D48-S52 WeakPolarHBondContact O-CB 3.34Å; D48-S52 PolarHBondContact O-N 3.1Å
49	L	48.4	Very low	45.5	Very low	105 Å²	105	115.6 Å²	115.6	55%	0.55	57%	0.573	S	S	.	*	H	α-helix	trans	-65.8	-40.2	169.8	-76.2	166.1	0	0	0	112.9	L45 R46 K51 S52 T53	L45-L49 HydrophobicContact CD2-CD1 3.84Å; L45-L49 HydrophobicContact CD2-CG 4.32Å; L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 VanDerWaalsContact O-CG 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 2.68Å; R46-L49 PolarHBondContact O-N 2.91Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-S52 PolarHBondContact O-N 2.97Å; L49-T53 WeakPolarHBondContact O-CB 3.45Å; L49-T53 WeakPolarHBondContact O-CG2 3.36Å; L49-T53 PolarHBondContact O-N 2.83Å; L49-T53 PolarHBondContact O-OG1 2.73Å
50	E	46.9	Very low	44.7	Very low	91 Å²	91	121.8 Å²	121.8	43%	0.425	59%	0.586	S	S	.	*	H	α-helix	trans	-64.2	-37.5	173.4	-75.8	172.8	157.6	0	0	111.2	R46 T53 A54	R46-E50 HydrophobicContact CG-CG 4.3Å; R46-E50 IonicContact CZ-OE1 2.74Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 2.63Å; R46-E50 IonicContact NE-OE2 2.73Å; R46-E50 IonicContact NH2-OE1 3.17Å; R46-E50 PolarHBondContact NH2-OE1 3.22Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 WeakPolarHBondContact O-CG 3.46Å; R46-E50 PolarHBondContact O-N 3.19Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-OG1 3.07Å; E50-A54 WeakPolarHBondContact O-CB 3.27Å; E50-A54 PolarHBondContact O-N 3.37Å
51	K	46.9	Very low	43.7	Very low	129 Å²	129	124.3 Å²	124.3	56%	0.561	60%	0.601	S	S	*	*	H	α-helix	trans	-69.4	-46.9	174.8	-169.5	-178.3	178	-165.4	0	112.1	R47 D48 L49 T53 A54 E55	R47-K51 VanDerWaalsContact O-CB 3.28Å; R47-K51 WeakPolarHBondContact O-CB 3.37Å; R47-K51 PolarHBondContact O-N 3.13Å; D48-K51 PolarHBondContact O-N 3.14Å; L49-K51 VanDerWaalsContact C-N 3.32Å; K51-T53 VanDerWaalsContact C-N 3.29Å; K51-T53 PolarHBondContact O-N 3.29Å; K51-A54 WeakPolarHBondContact O-CB 3.5Å; K51-A54 PolarHBondContact O-N 3.28Å; K51-A54 VanDerWaalsContact O-N 3.17Å; K51-E55 PolarHBondContact O-N 3.25Å
52	S	39.9	Very low	42.9	Very low	57 Å²	57	130.1 Å²	130.1	40%	0.399	62%	0.619	S	S	.	*	H	α-helix	trans	-63.1	-33.6	177.2	-178.7	0	0	0	0	112.3	D48 L49 F56	D48-S52 WeakPolarHBondContact O-CB 3.34Å; D48-S52 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-N 2.97Å; S52-F56 WeakPolarHBondContact O-CD2 3.24Å
53	T	40.2	Very low	42	Very low	84 Å²	84	130.7 Å²	130.7	52%	0.515	63%	0.63	S	S	.	*	H	α-helix	trans	-79.3	-24.4	174.4	48.5	0	0	0	0	113.8	L49 E50 K51	L49-T53 WeakPolarHBondContact O-CB 3.45Å; L49-T53 WeakPolarHBondContact O-CG2 3.36Å; L49-T53 PolarHBondContact O-N 2.83Å; L49-T53 PolarHBondContact O-OG1 2.73Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-OG1 3.07Å; K51-T53 VanDerWaalsContact C-N 3.29Å; K51-T53 PolarHBondContact O-N 3.29Å
54	A	41.2	Very low	40.9	Very low	59 Å²	59	131.5 Å²	131.5	49%	0.488	65%	0.647	S	S	.	*	H	α-helix	trans	-67.5	-40.8	171.4	0	0	0	0	0	112.3	E50 K51 F56 Q57	E50-A54 WeakPolarHBondContact O-CB 3.27Å; E50-A54 PolarHBondContact O-N 3.37Å; K51-A54 WeakPolarHBondContact O-CB 3.5Å; K51-A54 PolarHBondContact O-N 3.28Å; K51-A54 VanDerWaalsContact O-N 3.17Å; A54-F56 PolarHBondContact O-N 2.98Å; A54-F56 VanDerWaalsContact O-N 3.11Å; A54-Q57 PolarHBondContact O-N 3.5Å
55	E	39.6	Very low	39.5	Very low	134 Å²	134	132.8 Å²	132.8	63%	0.626	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-21.1	178.1	-71.5	178.7	176	0	0	113.3	K51	K51-E55 PolarHBondContact O-N 3.25Å
56	F	40	Very low	38.5	Very low	169 Å²	169	132.3 Å²	132.3	74%	0.741	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-3.2	175.3	-72.9	-66.5	0	0	0	115.5	S52 A54	S52-F56 WeakPolarHBondContact O-CD2 3.24Å; A54-F56 PolarHBondContact O-N 2.98Å; A54-F56 VanDerWaalsContact O-N 3.11Å
57	Q	39.7	Very low	37.5	Very low	162 Å²	162	134.6 Å²	134.6	76%	0.757	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-25.8	177.6	-62.6	-162	19.7	0	0	114	A54 V59	A54-Q57 PolarHBondContact O-N 3.5Å; Q57-V59 VanDerWaalsContact C-N 3.26Å; Q57-V59 PolarHBondContact O-N 2.87Å
58	D	36.9	Very low	36.1	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	69%	0.691	S	S	*	*	S	Bend	trans	-80.4	0.2	-174.3	-121.5	-6.1	0	0	0	114.4
59	V	38.9	Very low	35.1	Very low	124 Å²	124	130.7 Å²	130.7	75%	0.752	71%	0.707	S	S	*	*			trans	-118.1	61.2	176.6	-164.2	0	0	0	0	111.4	Q57	Q57-V59 VanDerWaalsContact C-N 3.26Å; Q57-V59 PolarHBondContact O-N 2.87Å
60	R	29	Very low	33.9	Very low	231 Å²	231	134.3 Å²	134.3	87%	0.872	72%	0.721	S	S	*	*			trans	-117.6	121.1	158.2	-167.1	170.8	-67.7	-145.9	1.5	110.4
61	F	28.8	Very low	33	Very low	193 Å²	193	135.9 Å²	135.9	85%	0.846	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-46.9	140.9	-177.3	-80.3	-108.5	0	0	0	113.5	P63	F61-P63 WeakPolarHBondContact O-CD 3.36Å
62	K	34.1	Very low	32	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.896	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-85.3	121.6	157.2	-72.7	-165.1	176.2	-172	0	110.1
63	P	29.6	Very low	31.4	Very low	127 Å²	127	140 Å²	140	83%	0.825	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-86.5	139.7	152.5	1.4	19.2	0	0	0	108.9	F61	F61-P63 WeakPolarHBondContact O-CD 3.36Å
64	G	28.3	Very low	30.9	Very low	68 Å²	68	142 Å²	142	70%	0.701	79%	0.787	S	S	*	*			trans	-127.7	146.3	171.1	0	0	0	0	0	110.6
65	E	28.1	Very low	30.1	Very low	200 Å²	200	142.8 Å²	142.8	94%	0.935	80%	0.802	S	S	*	*			trans	68.4	140.8	165.6	-64.9	175.6	175.5	0	0	116.3
66	S	25.4	Very low	29.7	Very low	84 Å²	84	144.3 Å²	144.3	59%	0.587	81%	0.814	S	S	*	*			cis	-161.6	168.2	-0.4	42.3	0	0	0	0	112.2
67	F	24.8	Very low	29.9	Very low	208 Å²	208	140.5 Å²	140.5	91%	0.912	81%	0.806	S	S	*	*			trans	64.6	134.5	171.8	-48.7	-77.4	0	0	0	117.5
68	G	24.4	Very low	29.4	Very low	81 Å²	81	141.4 Å²	141.4	84%	0.835	81%	0.81	S	S	*	*			cis	168	149.7	-8.7	0	0	0	0	0	111.2
69	G	24.9	Very low	29.1	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	81%	0.807	S	S	*	*			trans	147	92.9	173.1	0	0	0	0	0	117.9
70	E	24.1	Very low	28.5	Very low	181 Å²	181	140 Å²	140	85%	0.846	81%	0.807	S	S	*	*			trans	41.2	105.1	142	-60.3	-176.5	135.5	0	0	122.8
71	T	27.2	Very low	28.3	Very low	124 Å²	124	137.8 Å²	137.8	76%	0.761	80%	0.804	S	S	*	*			trans	38.7	128.1	130.8	55.4	0	0	0	0	120.7
72	S	27.6	Very low	28.1	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	79%	0.793	S	S	*	*				-162.7	167.2	68.4	-66.7	0	0	0	0	114.5
73	N	26.4	Very low	27.8	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	79%	0.785	S	S	*	*			trans	-91	153	-161.3	-47.9	-62	0	0	0	116.8
74	S	29.5	Very low	27.5	Very low	125 Å²	125	128.6 Å²	128.6	87%	0.874	78%	0.778	S	S	*	*				178.8	146.4	115.2	47.7	0	0	0	0	114
75	G	25.8	Very low	27.3	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	79%	0.786	S	S	*	*			trans	97.3	74	148.8	0	0	0	0	0	120.8
76	D	31.1	Very low	27.3	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	78%	0.784	S	S	*	*			trans	31.8	160.4	136.4	-96.7	15.9	0	0	0	124.4
77	P	44.2	Very low	27.4	Very low	90 Å²	90	140.6 Å²	140.6	58%	0.584	80%	0.795	S	S	*	*			trans	-125	-167.3	-142.2	29.2	-5.7	0	0	0	115.6
78	H	27.6	Very low	27.5	Very low	180 Å²	180	137.9 Å²	137.9	83%	0.833	79%	0.79	S	S	*	*			trans	71.1	119.7	171.2	-55	-77.5	0	0	0	117.9
79	K	30.6	Very low	27.9	Very low	179 Å²	179	139 Å²	139	78%	0.778	78%	0.781	S	S	*	*			trans	-143.6	67.9	152.1	-159.3	175.7	-174.6	179.3	0	111.9
80	G	26.4	Very low	28.3	Very low	72 Å²	72	145.1 Å²	145.1	74%	0.742	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.7	147.8	158.4	0	0	0	0	0	109.9
81	F	25.7	Very low	28.6	Very low	184 Å²	184	139.8 Å²	139.8	81%	0.807	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-92.1	116	174.2	-77.5	-92.5	0	0	0	110
82	S	23.9	Very low	28.6	Very low	89 Å²	89	140.8 Å²	140.8	62%	0.622	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.2	154.6	159.6	-164	0	0	0	0	109.9	D84	S82-D84 PolarHBondContact OG-OD1 3.06Å
83	V	27.3	Very low	29.1	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.715	79%	0.786	S	S	*	*			trans	-131.8	95	167.4	179.3	0	0	0	0	107.2
84	D	24.4	Very low	29.2	Very low	127 Å²	127	142.6 Å²	142.6	68%	0.679	79%	0.787	S	S	*	*			trans	-80.7	126.6	-176.5	-57.4	-29.6	0	0	0	110.7	S82	S82-D84 PolarHBondContact OG-OD1 3.06Å
85	Y	24.5	Very low	29.3	Very low	221 Å²	221	147.7 Å²	147.7	87%	0.867	79%	0.787	S	S	*	*			trans	-88.9	115.5	174.1	-88	-101.1	0	0	0	110.8
86	Y	26.9	Very low	29.5	Very low	228 Å²	228	151.5 Å²	151.5	89%	0.894	79%	0.788	S	S	*	*			trans	-107.1	115	162	-86.8	-83.6	0	0	0	110.6
87	N	27.8	Very low	29.2	Very low	155 Å²	155	151.4 Å²	151.4	83%	0.829	78%	0.782	S	S	*	*			trans	-99.9	115.6	170.8	-172.3	8.5	0	0	0	108.1
88	N	27.5	Very low	28.4	Very low	151 Å²	151	156.4 Å²	156.4	81%	0.807	80%	0.795	S	S	*	*			trans	-110.5	136.9	178.5	-163.4	9.6	0	0	0	111.3
89	T	33.6	Very low	28.3	Very low	104 Å²	104	154.9 Å²	154.9	64%	0.638	79%	0.788	S	S	*	*			trans	-90.1	149.7	-171.3	59	0	0	0	0	112.6
90	K	32.6	Very low	28.2	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	79%	0.79	S	S	*	*			trans	82.1	121.6	169.9	-51.4	170.3	-179.3	175.1	0	117
91	G	29	Very low	28.3	Very low	68 Å²	68	156 Å²	156	70%	0.701	79%	0.787	S	S	*	*			trans	110.8	89.8	140	0	0	0	0	0	117.7
92	T	29.2	Very low	28.5	Very low	145 Å²	145	154.4 Å²	154.4	89%	0.89	78%	0.781	S	S	*	*			trans	62	146.5	161.6	40.5	0	0	0	0	118.7
93	P	36.8	Very low	28.6	Very low	131 Å²	131	159.3 Å²	159.3	85%	0.851	79%	0.791	S	S	*	*			trans	-96.7	120.7	-176.1	35.2	-30.5	0	0	0	112.9
94	E	29.5	Very low	28.8	Very low	179 Å²	179	161.6 Å²	161.6	84%	0.836	79%	0.794	S	S	*	*			trans	-125.3	101.9	172.2	-167.4	163.1	-150.1	0	0	112.8	L96	E94-L96 PolarHBondContact O-N 3.49Å
95	R	31.4	Very low	28.9	Very low	232 Å²	232	162.5 Å²	162.5	88%	0.875	80%	0.799	S	S	*	*			trans	29.1	83	144.6	-161.7	-179.6	-164.5	166.8	4.4	117.5	H97	R95-H97 PolarHBondContact O-N 3.36Å
96	L	29.6	Very low	29.3	Very low	157 Å²	157	157.6 Å²	157.6	82%	0.822	80%	0.795	S	S	*	*			trans	-66.6	120.4	168.7	-68.7	178.5	0	0	0	111.8	E94	E94-L96 PolarHBondContact O-N 3.49Å
97	H	25	Very low	29.3	Very low	163 Å²	163	153 Å²	153	76%	0.755	79%	0.794	S	S	*	*			trans	-91.6	126.2	177.6	-163.5	-94.2	0	0	0	109.7	R95	R95-H97 PolarHBondContact O-N 3.36Å
98	F	27.2	Very low	29.5	Very low	195 Å²	195	154.9 Å²	154.9	86%	0.855	80%	0.798	S	S	*	*			trans	-101	115.1	174.9	-83.3	-82.3	0	0	0	110.7
99	E	26.1	Very low	29.3	Very low	148 Å²	148	151.1 Å²	151.1	69%	0.692	80%	0.795	S	S	*	*			trans	-115.7	125.6	171.1	-171.2	-176.2	154.9	0	0	109	T101	E99-T101 HydrophobicContact CG-CG2 4.28Å; E99-T101 WeakPolarHBondContact OE1-CG2 2.88Å
100	M	27.8	Very low	29.4	Very low	166 Å²	166	153 Å²	153	82%	0.818	81%	0.809	S	S	*	*			trans	-115.1	90.4	-177.5	-174.8	67.3	179.5	0	0	109.7	H102	M100-H102 PolarHBondContact O-N 3.31Å
101	T	29.6	Very low	29.3	Very low	109 Å²	109	155 Å²	155	67%	0.669	81%	0.811	S	S	*	*			trans	-87.1	109.2	-179.9	40.9	0	0	0	0	111.6	E99	E99-T101 HydrophobicContact CG-CG2 4.28Å; E99-T101 WeakPolarHBondContact OE1-CG2 2.88Å
102	H	27.8	Very low	29.3	Very low	150 Å²	150	156.5 Å²	156.5	69%	0.694	82%	0.816	S	S	*	*			trans	-83.6	125.4	171.2	-124.9	-106.8	0	0	0	110.3	M100	M100-H102 PolarHBondContact O-N 3.31Å
103	K	28.1	Very low	29.3	Very low	192 Å²	192	158.7 Å²	158.7	84%	0.835	82%	0.816	S	S	*	*			trans	-117.5	100.9	168.4	-85.5	-170.2	175.2	178.6	0	110.2
104	E	30.5	Very low	29.4	Very low	166 Å²	166	161 Å²	161	78%	0.776	82%	0.821	S	S	*	*			trans	-87.6	127.2	162.5	-65.7	-173.9	150.9	0	0	109.4
105	N	26.1	Very low	29.3	Very low	147 Å²	147	156.1 Å²	156.1	79%	0.786	82%	0.819	S	S	*	*			trans	-114.9	107.5	169.5	-87.5	-24.4	0	0	0	108.1
106	P	34.2	Very low	29.8	Very low	118 Å²	118	153.6 Å²	153.6	77%	0.766	82%	0.823	S	S	*	*			trans	-77.4	144.9	174.9	31.7	-33.6	0	0	0	111
107	C	26.3	Very low	29.9	Very low	130 Å²	130	149 Å²	149	88%	0.878	81%	0.813	S	S	*	*			trans	-133.6	133.4	168.5	-77.7	0	0	0	0	109.3
108	Q	31.5	Very low	30.5	Very low	195 Å²	195	146.3 Å²	146.3	91%	0.911	81%	0.813	S	S	*	*			trans	-111.4	128.2	-169.1	-71.3	-175.2	-20.6	0	0	113.4
109	G	24.3	Very low	31.4	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	81%	0.813	S	S	*	*			trans	83.6	174.8	158.1	0	0	0	0	0	116.9
110	P	35	Very low	32.4	Very low	142 Å²	142	141 Å²	141	92%	0.922	81%	0.811	S	S	*	*			cis	-98.2	-171.8	2.2	38.6	-33.7	0	0	0	114.1
111	R	31	Very low	33.6	Very low	249 Å²	249	138.8 Å²	138.8	94%	0.94	80%	0.803	S	S	*	*			trans	-111.5	125.5	-160.4	-178.7	-172.7	-171.4	-176.5	4.4	113.1
112	A	27.7	Very low	34.7	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	80%	0.803	S	S	*	*			trans	-136.6	175.6	164.6	0	0	0	0	0	110.2
113	Q	30.3	Very low	35.6	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	80%	0.803	S	S	*	*			trans	-99.2	141.8	-157.2	-71.6	175	-32.2	0	0	116.6
114	L	38.7	Very low	37	Very low	179 Å²	179	132.4 Å²	132.4	94%	0.937	78%	0.783	S	S	*	*			trans	54.2	99.9	137.7	-166.4	67.1	0	0	0	118.9
115	G	26.5	Very low	38.6	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	77%	0.771	S	S	*	*			trans	-152.7	142.3	162.7	0	0	0	0	0	110.6
116	N	42.5	Very low	40.2	Very low	178 Å²	178	130.2 Å²	130.2	95%	0.952	76%	0.761	S	S	*	*			trans	-90.3	136.2	-175	-168	17.9	0	0	0	111.3
117	G	30.9	Very low	41.1	Very low	61 Å²	61	126.9 Å²	126.9	63%	0.629	74%	0.744	S	S	*	*			trans	-163.4	105.8	-173	0	0	0	0	0	116.7
118	S	39.5	Very low	42.7	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	73%	0.728	S	S	*	*			trans	37.4	89.7	153.2	60.5	0	0	0	0	119.8	V120	S118-V120 PolarHBondContact O-N 3.47Å; S118-V120 VanDerWaalsContact O-N 3.16Å
119	S	44.8	Very low	44.2	Very low	122 Å²	122	124.1 Å²	124.1	85%	0.853	71%	0.714	S	S	*	*			trans	-83.6	44.5	166.8	63.6	0	0	0	0	113.4
120	V	47	Very low	45.6	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.655	71%	0.706	S	S	*	*			trans	-105.2	-22.7	-163.6	179.7	0	0	0	0	113.9	S118	S118-V120 PolarHBondContact O-N 3.47Å; S118-V120 VanDerWaalsContact O-N 3.16Å
121	D	52.7	Low	46.9	Very low	121 Å²	121	122.9 Å²	122.9	65%	0.647	69%	0.685	S	S	*	*	H	α-helix	trans	-96.9	-6.1	-164.6	-145.7	26	0	0	0	115.6	V123 S124 F125	D121-V123 VanDerWaalsContact C-N 3.34Å; D121-V123 PolarHBondContact O-N 3Å; D121-S124 WeakPolarHBondContact O-CB 3.4Å; D121-S124 PolarHBondContact O-N 3.44Å; D121-S124 WeakPolarHBondContact OD1-CB 3.23Å; D121-S124 PolarHBondContact OD1-OG 2.91Å; D121-F125 PolarHBondContact O-N 2.95Å
122	E	52.8	Low	48.5	Very low	142 Å²	142	115.3 Å²	115.3	66%	0.664	66%	0.663	S	S	*	*	H	α-helix	trans	-64.6	-39.3	176	-65.4	-175.1	173.7	0	0	111.8	S124 F125 Y126	E122-S124 VanDerWaalsContact C-N 3.35Å; E122-F125 WeakPolarHBondContact O-CB 3.33Å; E122-F125 PolarHBondContact O-N 2.8Å; E122-Y126 WeakPolarHBondContact O-CD2 3.44Å; E122-Y126 PolarHBondContact O-N 2.87Å
123	V	47.1	Very low	50.4	Low	116 Å²	116	115.2 Å²	115.2	70%	0.703	65%	0.648	S	S	*	*	H	α-helix	trans	-65.8	-40.1	176.9	-177.4	0	0	0	0	110.4	D121 F125 Y126 A127	D121-V123 VanDerWaalsContact C-N 3.34Å; D121-V123 PolarHBondContact O-N 3Å; V123-F125 VanDerWaalsContact C-N 3.35Å; V123-F125 PolarHBondContact O-N 3.26Å; V123-Y126 PolarHBondContact O-N 3.33Å; V123-A127 WeakPolarHBondContact O-CB 3.44Å; V123-A127 PolarHBondContact O-N 3.43Å
124	S	56.8	Low	51.8	Low	59 Å²	59	110.1 Å²	110.1	41%	0.413	63%	0.63	S	S	.	*	H	α-helix	trans	-58.1	-46.7	172.4	-42	0	0	0	0	111.4	D121 E122 N128	D121-S124 WeakPolarHBondContact O-CB 3.4Å; D121-S124 PolarHBondContact O-N 3.44Å; D121-S124 WeakPolarHBondContact OD1-CB 3.23Å; D121-S124 PolarHBondContact OD1-OG 2.91Å; E122-S124 VanDerWaalsContact C-N 3.35Å; S124-N128 WeakPolarHBondContact O-CB 3.25Å; S124-N128 PolarHBondContact O-N 2.92Å
125	F	64.1	Low	53.2	Low	118 Å²	118	104.9 Å²	104.9	52%	0.518	60%	0.602	S	S	.	*	H	α-helix	trans	-61.9	-49.2	179.4	174.2	-98.8	0	0	0	112.1	D121 E122 V123 R129	D121-F125 PolarHBondContact O-N 2.95Å; E122-F125 WeakPolarHBondContact O-CB 3.33Å; E122-F125 PolarHBondContact O-N 2.8Å; V123-F125 VanDerWaalsContact C-N 3.35Å; V123-F125 PolarHBondContact O-N 3.26Å; F125-R129 VanDerWaalsContact O-CB 3.28Å; F125-R129 WeakPolarHBondContact O-CB 3.43Å; F125-R129 PolarHBondContact O-N 2.99Å
126	Y	61	Low	55.1	Low	148 Å²	148	103.8 Å²	103.8	58%	0.58	59%	0.586	S	S	*	*	H	α-helix	trans	-67.8	-39.9	178.2	-74.2	-64.6	0	0	0	112.7	E122 V123 R129 L130	E122-Y126 WeakPolarHBondContact O-CD2 3.44Å; E122-Y126 PolarHBondContact O-N 2.87Å; V123-Y126 PolarHBondContact O-N 3.33Å; Y126-R129 PolarHBondContact O-N 3.3Å; Y126-L130 WeakPolarHBondContact O-CB 3.39Å; Y126-L130 PolarHBondContact O-N 3Å
127	A	53	Low	56.1	Low	49 Å²	49	100.9 Å²	100.9	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-60.9	-50.4	174.8	0	0	0	0	0	111.2	V123 R129 L130 T131	V123-A127 WeakPolarHBondContact O-CB 3.44Å; V123-A127 PolarHBondContact O-N 3.43Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 2.85Å; A127-L130 PolarHBondContact O-N 3.25Å; A127-L130 VanDerWaalsContact O-N 3.15Å; A127-T131 PolarHBondContact O-N 3.15Å; A127-T131 PolarHBondContact O-OG1 2.59Å; A127-T131 VanDerWaalsContact O-OG1 3.07Å
128	N	58.8	Low	57.7	Low	101 Å²	101	100.1 Å²	100.1	54%	0.54	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-38.9	179.1	-165.7	6	0	0	0	111.6	S124 T131 N132	S124-N128 WeakPolarHBondContact O-CB 3.25Å; S124-N128 PolarHBondContact O-N 2.92Å; N128-T131 PolarHBondContact O-N 3.44Å; N128-N132 WeakPolarHBondContact O-CB 3.47Å; N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.5Å; N128-N132 PolarHBondContact OD1-ND2 2.95Å
129	R	63.6	Low	58.5	Low	165 Å²	165	103 Å²	103	62%	0.623	55%	0.55	S	S	*	*	H	α-helix	trans	-63.8	-40.5	173.8	-172.3	173	-178.7	168.5	0.3	112.3	F125 Y126 A127 L133	F125-R129 VanDerWaalsContact O-CB 3.28Å; F125-R129 WeakPolarHBondContact O-CB 3.43Å; F125-R129 PolarHBondContact O-N 2.99Å; Y126-R129 PolarHBondContact O-N 3.3Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 2.85Å; R129-L133 WeakPolarHBondContact O-CB 3.24Å; R129-L133 PolarHBondContact O-N 3.07Å
130	L	53.8	Low	59.9	Low	111 Å²	111	103.1 Å²	103.1	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-67.7	-45	176.2	-168.8	71.9	0	0	0	111.5	Y126 A127 N132 L133 V134	Y126-L130 WeakPolarHBondContact O-CB 3.39Å; Y126-L130 PolarHBondContact O-N 3Å; A127-L130 PolarHBondContact O-N 3.25Å; A127-L130 VanDerWaalsContact O-N 3.15Å; L130-N132 PolarHBondContact O-N 3.33Å; L130-L133 PolarHBondContact O-N 2.79Å; L130-V134 WeakPolarHBondContact O-CG2 3.5Å; L130-V134 PolarHBondContact O-N 3.08Å
131	T	62.9	Low	60.4	Low	78 Å²	78	102.9 Å²	102.9	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-58.2	-45.9	175.6	-61.1	0	0	0	0	111.6	A127 N128 L133 V134 I135	A127-T131 PolarHBondContact O-N 3.15Å; A127-T131 PolarHBondContact O-OG1 2.59Å; A127-T131 VanDerWaalsContact O-OG1 3.07Å; N128-T131 PolarHBondContact O-N 3.44Å; T131-L133 PolarHBondContact O-N 3.45Å; T131-V134 PolarHBondContact O-N 2.9Å; T131-I135 HydrophobicContact CG2-CD1 3.86Å; T131-I135 VanDerWaalsContact O-CG1 3.27Å; T131-I135 WeakPolarHBondContact O-CG1 3.4Å; T131-I135 PolarHBondContact O-N 3.06Å
132	N	63.3	Low	61.1	Low	91 Å²	91	101.1 Å²	101.1	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-36.2	176.9	-78.5	-73.6	0	0	0	112.7	N128 L130 I135 A136	N128-N132 WeakPolarHBondContact O-CB 3.47Å; N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.5Å; N128-N132 PolarHBondContact OD1-ND2 2.95Å; L130-N132 PolarHBondContact O-N 3.33Å; N132-I135 PolarHBondContact O-N 3.16Å; N132-A136 WeakPolarHBondContact O-CB 3.37Å; N132-A136 PolarHBondContact O-N 2.85Å
133	L	68.8	Low	61.3	Low	97 Å²	97	98.9 Å²	98.9	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-44.8	173.7	-179.9	61.6	0	0	0	111.7	R129 L130 T131 I135 A136 M137	R129-L133 WeakPolarHBondContact O-CB 3.24Å; R129-L133 PolarHBondContact O-N 3.07Å; L130-L133 PolarHBondContact O-N 2.79Å; T131-L133 PolarHBondContact O-N 3.45Å; L133-I135 PolarHBondContact O-N 2.92Å; L133-A136 PolarHBondContact O-N 2.89Å; L133-M137 HydrophobicContact CD1-CG 4.39Å; L133-M137 HydrophobicContact CD1-SD 4.35Å; L133-M137 HydrophobicContact CG-SD 4.12Å; L133-M137 WeakPolarHBondContact O-CB 3.46Å; L133-M137 WeakPolarHBondContact O-CG 3.49Å; L133-M137 PolarHBondContact O-N 3.47Å
134	V	59.9	Low	61.9	Low	84 Å²	84	98.6 Å²	98.6	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-41.4	176	171	0	0	0	0	111.1	L130 T131 A136 M137 A138	L130-V134 WeakPolarHBondContact O-CG2 3.5Å; L130-V134 PolarHBondContact O-N 3.08Å; T131-V134 PolarHBondContact O-N 2.9Å; V134-A136 PolarHBondContact O-N 2.98Å; V134-M137 PolarHBondContact O-N 2.65Å; V134-A138 VanDerWaalsContact O-CB 3.28Å; V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 2.8Å
135	I	68	Low	62	Low	69 Å²	69	102.3 Å²	102.3	35%	0.354	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-40.2	174.6	-69.5	165.6	0	0	0	111.2	T131 N132 L133 R139	T131-I135 HydrophobicContact CG2-CD1 3.86Å; T131-I135 VanDerWaalsContact O-CG1 3.27Å; T131-I135 WeakPolarHBondContact O-CG1 3.4Å; T131-I135 PolarHBondContact O-N 3.06Å; N132-I135 PolarHBondContact O-N 3.16Å; L133-I135 PolarHBondContact O-N 2.92Å; I135-R139 WeakPolarHBondContact O-CB 3.25Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.25Å
136	A	66.6	Low	61.6	Low	55 Å²	55	101.4 Å²	101.4	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-42.8	176.4	0	0	0	0	0	112.1	N132 L133 V134 R139 K140	N132-A136 WeakPolarHBondContact O-CB 3.37Å; N132-A136 PolarHBondContact O-N 2.85Å; L133-A136 PolarHBondContact O-N 2.89Å; V134-A136 PolarHBondContact O-N 2.98Å; A136-R139 PolarHBondContact O-N 3.48Å; A136-K140 WeakPolarHBondContact O-CB 3.17Å; A136-K140 PolarHBondContact O-N 3.1Å
137	M	63.7	Low	60.8	Low	116 Å²	116	99.5 Å²	99.5	57%	0.571	51%	0.508	S	S	*	.	H	α-helix	trans	-63.6	-46.1	174.8	-73	175.1	61.6	0	0	111.8	L133 V134 R139 K140 E141	L133-M137 HydrophobicContact CD1-CG 4.39Å; L133-M137 HydrophobicContact CD1-SD 4.35Å; L133-M137 HydrophobicContact CG-SD 4.12Å; L133-M137 WeakPolarHBondContact O-CB 3.46Å; L133-M137 WeakPolarHBondContact O-CG 3.49Å; L133-M137 PolarHBondContact O-N 3.47Å; V134-M137 PolarHBondContact O-N 2.65Å; M137-R139 PolarHBondContact O-N 3.36Å; M137-K140 WeakPolarHBondContact O-CB 3.39Å; M137-K140 PolarHBondContact O-N 3.06Å; M137-E141 PolarHBondContact O-N 3.37Å
138	A	62.9	Low	60.3	Low	46 Å²	46	100.2 Å²	100.2	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.2	0	0	0	0	0	111.8	V134 K140 E141 I142	V134-A138 VanDerWaalsContact O-CB 3.28Å; V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 2.8Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.86Å; A138-E141 PolarHBondContact O-N 3.4Å; A138-I142 VanDerWaalsContact O-CB 3.3Å; A138-I142 WeakPolarHBondContact O-CB 3.4Å; A138-I142 WeakPolarHBondContact O-CD1 3.47Å; A138-I142 WeakPolarHBondContact O-CG1 3.43Å; A138-I142 PolarHBondContact O-N 3.08Å
139	R	57.3	Low	59.8	Low	167 Å²	167	99.7 Å²	99.7	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-61	-41.3	173.4	-74.9	173.2	-179.3	-177.7	2.5	112	I135 A136 M137 N143	I135-R139 WeakPolarHBondContact O-CB 3.25Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.25Å; A136-R139 PolarHBondContact O-N 3.48Å; M137-R139 PolarHBondContact O-N 3.36Å; R139-N143 WeakPolarHBondContact O-CB 3.44Å; R139-N143 PolarHBondContact O-N 2.97Å; R139-N143 PolarHBondContact O-OD1 3.38Å
140	K	73.1	Confident	58.7	Low	124 Å²	124	99.5 Å²	99.5	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-50.4	176.4	-171.5	-168.1	173.5	-141.9	0	111.2	A136 M137 A138 N143 E144	A136-K140 WeakPolarHBondContact O-CB 3.17Å; A136-K140 PolarHBondContact O-N 3.1Å; M137-K140 WeakPolarHBondContact O-CB 3.39Å; M137-K140 PolarHBondContact O-N 3.06Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.86Å; K140-N143 PolarHBondContact O-N 3.47Å; K140-E144 WeakPolarHBondContact CE-OE1 3.49Å; K140-E144 WeakPolarHBondContact CE-OE2 3.4Å; K140-E144 HydrophobicContact CG-CG 4.46Å; K140-E144 IonicContact NZ-OE1 2.77Å; K140-E144 PolarHBondContact NZ-OE1 3.04Å; K140-E144 IonicContact NZ-OE2 3.11Å; K140-E144 PolarHBondContact NZ-OE2 3.39Å; K140-E144 WeakPolarHBondContact O-CB 3.08Å; K140-E144 WeakPolarHBondContact O-CG 3.34Å; K140-E144 PolarHBondContact O-N 2.99Å
141	E	59.1	Low	58.1	Low	103 Å²	103	100.3 Å²	100.3	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-69.8	-34	-177	-169.5	176.9	154	0	0	112.6	M137 A138 K145	M137-E141 PolarHBondContact O-N 3.37Å; A138-E141 PolarHBondContact O-N 3.4Å; E141-K145 HydrophobicContact CG-CD 4.26Å; E141-K145 WeakPolarHBondContact O-CB 3.25Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 VanDerWaalsContact OE1-CE 3.26Å; E141-K145 WeakPolarHBondContact OE1-CE 3.06Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 2.76Å
142	I	66.1	Low	56.8	Low	84 Å²	84	106.1 Å²	106.1	43%	0.431	56%	0.555	S	S	.	*	H	α-helix	trans	-62.2	-48.3	170.5	-72.1	165.6	0	0	0	110	A138 K145 I146	A138-I142 VanDerWaalsContact O-CB 3.3Å; A138-I142 WeakPolarHBondContact O-CB 3.4Å; A138-I142 WeakPolarHBondContact O-CD1 3.47Å; A138-I142 WeakPolarHBondContact O-CG1 3.43Å; A138-I142 PolarHBondContact O-N 3.08Å; I142-K145 PolarHBondContact O-N 3Å; I142-I146 HydrophobicContact CG2-CD1 3.69Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.29Å; I142-I146 PolarHBondContact O-N 2.95Å
143	N	56.8	Low	55.3	Low	95 Å²	95	107.3 Å²	107.3	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-43.8	178.4	-69.3	6.7	0	0	0	112	R139 K140 K145 I146 D147	R139-N143 WeakPolarHBondContact O-CB 3.44Å; R139-N143 PolarHBondContact O-N 2.97Å; R139-N143 PolarHBondContact O-OD1 3.38Å; K140-N143 PolarHBondContact O-N 3.47Å; N143-K145 PolarHBondContact O-N 3.28Å; N143-I146 PolarHBondContact O-N 3.03Å; N143-I146 VanDerWaalsContact O-N 3.15Å; N143-D147 PolarHBondContact O-N 2.94Å
144	E	59.9	Low	53.7	Low	110 Å²	110	109 Å²	109	51%	0.514	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-28.5	176.2	-76	179	149.8	0	0	112.6	K140 G148	K140-E144 WeakPolarHBondContact CE-OE1 3.49Å; K140-E144 WeakPolarHBondContact CE-OE2 3.4Å; K140-E144 HydrophobicContact CG-CG 4.46Å; K140-E144 IonicContact NZ-OE1 2.77Å; K140-E144 PolarHBondContact NZ-OE1 3.04Å; K140-E144 IonicContact NZ-OE2 3.11Å; K140-E144 PolarHBondContact NZ-OE2 3.39Å; K140-E144 WeakPolarHBondContact O-CB 3.08Å; K140-E144 WeakPolarHBondContact O-CG 3.34Å; K140-E144 PolarHBondContact O-N 2.99Å; E144-G148 PolarHBondContact O-N 3.49Å
145	K	59.2	Low	52.2	Low	137 Å²	137	113.4 Å²	113.4	60%	0.596	60%	0.598	S	S	*	*	H	α-helix	trans	-82.5	-25.4	173.9	-74.4	175.6	-176.5	172.2	0	114.1	E141 I142 N143	E141-K145 HydrophobicContact CG-CD 4.26Å; E141-K145 WeakPolarHBondContact O-CB 3.25Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 VanDerWaalsContact OE1-CE 3.26Å; E141-K145 WeakPolarHBondContact OE1-CE 3.06Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 2.76Å; I142-K145 PolarHBondContact O-N 3Å; N143-K145 PolarHBondContact O-N 3.28Å
146	I	55.9	Low	50.4	Low	100 Å²	100	117.9 Å²	117.9	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-79.8	-53.8	174.4	-68.2	167.1	0	0	0	110.3	I142 N143 G148 S149	I142-I146 HydrophobicContact CG2-CD1 3.69Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.29Å; I142-I146 PolarHBondContact O-N 2.95Å; N143-I146 PolarHBondContact O-N 3.03Å; N143-I146 VanDerWaalsContact O-N 3.15Å; I146-G148 PolarHBondContact O-N 3.06Å; I146-G148 VanDerWaalsContact O-N 3.16Å; I146-S149 PolarHBondContact O-N 2.87Å; I146-S149 PolarHBondContact O-OG 2.87Å
147	D	45.1	Very low	48.6	Very low	107 Å²	107	120.7 Å²	120.7	57%	0.572	63%	0.633	S	S	*	*	H	α-helix	trans	-62	-25.9	176.3	-86.6	-42.8	0	0	0	112.5	N143 S149	N143-D147 PolarHBondContact O-N 2.94Å; D147-S149 VanDerWaalsContact C-N 3.28Å; D147-S149 PolarHBondContact O-N 2.99Å
148	G	42.6	Very low	46.9	Very low	65 Å²	65	122.5 Å²	122.5	67%	0.67	64%	0.644	S	S	*	*	H	α-helix	trans	-70.8	-11.5	178.9	0	0	0	0	0	115.8	E144 I146	E144-G148 PolarHBondContact O-N 3.49Å; I146-G148 PolarHBondContact O-N 3.06Å; I146-G148 VanDerWaalsContact O-N 3.16Å
149	S	47.1	Very low	45.2	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	67%	0.667	S	S	*	*	H	α-helix	trans	-106.3	-31.5	-177.9	63.4	0	0	0	0	114.7	I146 D147	I146-S149 PolarHBondContact O-N 2.87Å; I146-S149 PolarHBondContact O-OG 2.87Å; D147-S149 VanDerWaalsContact C-N 3.28Å; D147-S149 PolarHBondContact O-N 2.99Å
150	E	40.4	Very low	43.8	Very low	161 Å²	161	131.2 Å²	131.2	75%	0.752	68%	0.679	S	S	*	*	H	α-helix	trans	-96.7	-24.1	-172.5	-61.6	-159.8	137.1	0	0	115.1	K152	E150-K152 VanDerWaalsContact C-N 3.33Å; E150-K152 PolarHBondContact O-N 3.31Å
151	N	40.6	Very low	41.6	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	69%	0.686	S	S	*	*			trans	-83.6	67.3	-173.1	-78.1	-65.4	0	0	0	114.2
152	K	37.5	Very low	40.5	Very low	199 Å²	199	131.5 Å²	131.5	87%	0.865	71%	0.705	S	S	*	*			trans	-132.4	31	173.6	-118.1	-176.5	-173.7	178.6	0	115.9	E150	E150-K152 VanDerWaalsContact C-N 3.33Å; E150-K152 PolarHBondContact O-N 3.31Å
153	C	30.4	Very low	38.7	Very low	117 Å²	117	136.6 Å²	136.6	79%	0.791	73%	0.727	S	S	*	*			trans	-88.1	127.9	164.3	-76.2	0	0	0	0	111.6	H155	C153-H155 PolarHBondContact O-N 3.19Å
154	V	36.4	Very low	37.8	Very low	131 Å²	131	137 Å²	137	79%	0.794	74%	0.735	S	S	*	*			trans	-80.7	102.4	179.5	178.1	0	0	0	0	110.2	Q156	V154-Q156 HydrophobicContact CG1-CB 4.5Å
155	H	27.9	Very low	37	Very low	178 Å²	178	137.7 Å²	137.7	82%	0.824	75%	0.749	S	S	*	*			trans	-100.9	86.4	164.2	-91.4	-71.6	0	0	0	111.5	C153 S157	C153-H155 PolarHBondContact O-N 3.19Å; H155-S157 VanDerWaalsContact C-N 3.34Å; H155-S157 PolarHBondContact O-N 3.44Å
156	Q	30.5	Very low	35.8	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	76%	0.76	S	S	*	*			trans	-74.9	84.8	166.2	-176.2	178.5	-0.3	0	0	109.5	V154 L158	V154-Q156 HydrophobicContact CG1-CB 4.5Å; Q156-L158 PolarHBondContact O-N 3.4Å
157	S	28.7	Very low	35.1	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	78%	0.775	S	S	*	*			trans	-75.8	91.7	178.5	60.6	0	0	0	0	111.8	H155	H155-S157 VanDerWaalsContact C-N 3.34Å; H155-S157 PolarHBondContact O-N 3.44Å
158	L	27.8	Very low	35.1	Very low	154 Å²	154	142.2 Å²	142.2	81%	0.806	78%	0.784	S	S	*	*			trans	-67.5	127.6	160.6	-91.3	164.7	0	0	0	109.6	Q156	Q156-L158 PolarHBondContact O-N 3.4Å
159	Y	27.2	Very low	35.6	Very low	220 Å²	220	142.9 Å²	142.9	86%	0.863	78%	0.778	S	S	*	*			trans	-86.1	112.8	178.9	-174	-83.4	0	0	0	110.3
160	M	27.7	Very low	35.2	Very low	177 Å²	177	145.5 Å²	145.5	87%	0.872	79%	0.785	S	S	*	*			trans	-139	148.6	166.5	-74.6	-61.4	-78	0	0	110.1
161	G	26.3	Very low	35.3	Very low	66 Å²	66	141.6 Å²	141.6	68%	0.68	78%	0.775	S	S	*	*			trans	-85.8	-179.8	-168.7	0	0	0	0	0	116.1
162	N	36.8	Very low	35.6	Very low	166 Å²	166	140.9 Å²	140.9	89%	0.888	77%	0.766	S	S	*	*			trans	-69.6	138.8	-172.2	-41.2	-76.9	0	0	0	114.1
163	E	27.7	Very low	36.4	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	75%	0.747	S	S	*	*			trans	-162.4	169.3	139.2	-109.6	-155.6	159.5	0	0	110.9
164	P	37.8	Very low	37.3	Very low	104 Å²	104	132.9 Å²	132.9	68%	0.675	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-81.6	163.5	-158.3	31.5	-37.1	0	0	0	116.8
165	P	42.5	Very low	38.3	Very low	124 Å²	124	130 Å²	130	81%	0.805	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-90.5	141	-164.1	34.3	-36.2	0	0	0	115.6
166	P	34.6	Very low	39.6	Very low	127 Å²	127	126.7 Å²	126.7	83%	0.825	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-91.4	142.8	164.7	34.8	-31.7	0	0	0	112.4
167	T	42.3	Very low	41.2	Very low	134 Å²	134	124.1 Å²	124.1	82%	0.822	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-91.3	120	-179.1	44.7	0	0	0	0	113.4
168	K	45.3	Very low	42.8	Very low	178 Å²	178	123 Å²	123	77%	0.774	68%	0.681	S	S	*	*			trans	-164.5	146.4	155.5	-93	126.7	-167.2	-179.3	0	109.9
169	S	52.2	Low	43.9	Very low	78 Å²	78	120.8 Å²	120.8	55%	0.545	67%	0.67	S	S	.	*			trans	-85.4	148.9	178.4	52.8	0	0	0	0	112.6	S171 K172	S169-S171 PolarHBondContact O-N 2.92Å; S169-S171 VanDerWaalsContact O-N 3.12Å; S169-S171 PolarHBondContact OG-OG 3.12Å; S169-K172 PolarHBondContact O-N 3.06Å; S169-K172 VanDerWaalsContact O-N 3.08Å
170	L	39.3	Very low	45.4	Very low	145 Å²	145	116.9 Å²	116.9	76%	0.759	66%	0.66	S	S	*	*	H	α-helix	trans	-55.6	-29.9	-176.9	-71.6	165.7	0	0	0	114.1	K172 I173 A174	L170-K172 VanDerWaalsContact C-N 3.25Å; L170-K172 PolarHBondContact O-N 3.3Å; L170-I173 PolarHBondContact O-N 3.36Å; L170-A174 PolarHBondContact O-N 3.33Å
171	S	42.5	Very low	46.6	Very low	79 Å²	79	112.3 Å²	112.3	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-57.9	-36.7	177.4	53.9	0	0	0	0	112.9	S169 S175	S169-S171 PolarHBondContact O-N 2.92Å; S169-S171 VanDerWaalsContact O-N 3.12Å; S169-S171 PolarHBondContact OG-OG 3.12Å; S171-S175 PolarHBondContact O-N 3.14Å; S171-S175 PolarHBondContact O-OG 3.49Å; S171-S175 VanDerWaalsContact O-OG 3.09Å
172	K	46.9	Very low	47.9	Very low	113 Å²	113	113.6 Å²	113.6	49%	0.491	64%	0.636	S	S	.	*	H	α-helix	trans	-71.4	-39.5	178.6	-175.8	159.5	-177.6	163.3	0	112.4	S169 L170 A174 S175 E176	S169-K172 PolarHBondContact O-N 3.06Å; S169-K172 VanDerWaalsContact O-N 3.08Å; L170-K172 VanDerWaalsContact C-N 3.25Å; L170-K172 PolarHBondContact O-N 3.3Å; K172-A174 VanDerWaalsContact C-N 3.33Å; K172-S175 PolarHBondContact O-N 2.94Å; K172-E176 WeakPolarHBondContact CE-OE1 3.45Å; K172-E176 PolarHBondContact O-N 3.44Å
173	I	53.6	Low	48.4	Very low	93 Å²	93	109 Å²	109	48%	0.477	62%	0.617	S	S	.	*	H	α-helix	trans	-64.1	-41.7	176.7	-58.3	174.6	0	0	0	110	L170 E176 L177	L170-I173 PolarHBondContact O-N 3.36Å; I173-E176 PolarHBondContact O-N 2.91Å; I173-L177 WeakPolarHBondContact O-CB 3.42Å; I173-L177 PolarHBondContact O-N 2.88Å
174	A	48.8	Very low	49.2	Very low	56 Å²	56	102.2 Å²	102.2	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-62.1	-42.9	173.8	0	0	0	0	0	112.4	L170 K172 L177 V178	L170-A174 PolarHBondContact O-N 3.33Å; K172-A174 VanDerWaalsContact C-N 3.33Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-V178 WeakPolarHBondContact O-CB 3.4Å; A174-V178 VanDerWaalsContact O-CG2 3.3Å; A174-V178 WeakPolarHBondContact O-CG2 3.28Å; A174-V178 PolarHBondContact O-N 3.28Å
175	S	58	Low	49.3	Very low	69 Å²	69	101.8 Å²	101.8	48%	0.483	59%	0.592	S	S	.	*	H	α-helix	trans	-65.2	-37.8	175.3	-60.1	0	0	0	0	113.4	S171 K172 N179	S171-S175 PolarHBondContact O-N 3.14Å; S171-S175 PolarHBondContact O-OG 3.49Å; S171-S175 VanDerWaalsContact O-OG 3.09Å; K172-S175 PolarHBondContact O-N 2.94Å; S175-N179 WeakPolarHBondContact O-CB 3.35Å; S175-N179 VanDerWaalsContact O-CG 3.29Å; S175-N179 PolarHBondContact O-N 3.37Å; S175-N179 VanDerWaalsContact O-N 3.12Å; S175-N179 PolarHBondContact O-ND2 2.93Å; S175-N179 VanDerWaalsContact O-ND2 3.15Å
176	E	54	Low	49.3	Very low	109 Å²	109	100.6 Å²	100.6	51%	0.509	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-46.3	175.5	-78.1	169	157.8	0	0	111	K172 I173 V178 N179 E180	K172-E176 WeakPolarHBondContact CE-OE1 3.45Å; K172-E176 PolarHBondContact O-N 3.44Å; I173-E176 PolarHBondContact O-N 2.91Å; E176-V178 PolarHBondContact O-N 2.88Å; E176-N179 PolarHBondContact O-N 3.42Å; E176-E180 WeakPolarHBondContact O-CB 3.28Å; E176-E180 PolarHBondContact O-N 2.82Å
177	L	65.6	Low	49.6	Very low	109 Å²	109	103.2 Å²	103.2	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-62.7	-39.7	178.9	-157.8	94.7	0	0	0	113	I173 A174 T181	I173-L177 WeakPolarHBondContact O-CB 3.42Å; I173-L177 PolarHBondContact O-N 2.88Å; A174-L177 PolarHBondContact O-N 3.33Å; L177-T181 WeakPolarHBondContact O-CB 3.32Å; L177-T181 PolarHBondContact O-N 3.08Å; L177-T181 PolarHBondContact O-OG1 3.39Å
178	V	62.6	Low	49.5	Very low	89 Å²	89	104.1 Å²	104.1	54%	0.539	58%	0.58	S	S	.	*	H	α-helix	trans	-66	-45.9	175.6	169	0	0	0	0	110.9	A174 E176 E180 T181 V182	A174-V178 WeakPolarHBondContact O-CB 3.4Å; A174-V178 VanDerWaalsContact O-CG2 3.3Å; A174-V178 WeakPolarHBondContact O-CG2 3.28Å; A174-V178 PolarHBondContact O-N 3.28Å; E176-V178 PolarHBondContact O-N 2.88Å; V178-E180 VanDerWaalsContact C-N 3.35Å; V178-E180 PolarHBondContact O-N 3.44Å; V178-T181 PolarHBondContact O-N 3.1Å; V178-V182 WeakPolarHBondContact O-CG2 3.48Å; V178-V182 PolarHBondContact O-N 3.39Å
179	N	49.8	Very low	48.9	Very low	109 Å²	109	100.2 Å²	100.2	58%	0.583	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-37.8	177.8	-76.1	-28.6	0	0	0	112.4	S175 E176 V182 S183	S175-N179 WeakPolarHBondContact O-CB 3.35Å; S175-N179 VanDerWaalsContact O-CG 3.29Å; S175-N179 PolarHBondContact O-N 3.37Å; S175-N179 VanDerWaalsContact O-N 3.12Å; S175-N179 PolarHBondContact O-ND2 2.93Å; S175-N179 VanDerWaalsContact O-ND2 3.15Å; E176-N179 PolarHBondContact O-N 3.42Å; N179-V182 PolarHBondContact O-N 3.41Å; N179-S183 VanDerWaalsContact O-CB 3.25Å; N179-S183 WeakPolarHBondContact O-CB 3.37Å; N179-S183 PolarHBondContact O-N 3.04Å
180	E	59.7	Low	48	Very low	138 Å²	138	100.8 Å²	100.8	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-64.3	-42.3	174.7	-173	168.5	-165.2	0	0	111.4	E176 V178 S183 A184	E176-E180 WeakPolarHBondContact O-CB 3.28Å; E176-E180 PolarHBondContact O-N 2.82Å; V178-E180 VanDerWaalsContact C-N 3.35Å; V178-E180 PolarHBondContact O-N 3.44Å; E180-S183 CarbonylContact O-C 3.52Å; E180-S183 PolarHBondContact O-N 2.87Å; E180-A184 PolarHBondContact O-N 3.17Å
181	T	52.2	Low	48.2	Very low	81 Å²	81	99.5 Å²	99.5	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-64.1	-44.6	176.2	-53.8	0	0	0	0	111.8	L177 V178 S183 A184 C185	L177-T181 WeakPolarHBondContact O-CB 3.32Å; L177-T181 PolarHBondContact O-N 3.08Å; L177-T181 PolarHBondContact O-OG1 3.39Å; V178-T181 PolarHBondContact O-N 3.1Å; T181-S183 VanDerWaalsContact C-N 3.33Å; T181-S183 PolarHBondContact O-N 2.92Å; T181-A184 WeakPolarHBondContact O-CB 3.32Å; T181-A184 PolarHBondContact O-N 3.44Å; T181-A184 VanDerWaalsContact O-N 3.15Å; T181-C185 PolarHBondContact O-N 3.42Å; T181-C185 VanDerWaalsContact O-N 3.08Å
182	V	53.3	Low	47.6	Very low	92 Å²	92	102.9 Å²	102.9	56%	0.558	60%	0.603	S	S	*	*	H	α-helix	trans	-62.7	-39.5	175.6	171.7	0	0	0	0	111.3	V178 N179 A184 C185 S186	V178-V182 WeakPolarHBondContact O-CG2 3.48Å; V178-V182 PolarHBondContact O-N 3.39Å; N179-V182 PolarHBondContact O-N 3.41Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.49Å; V182-C185 PolarHBondContact O-N 3.49Å; V182-S186 PolarHBondContact O-N 3.02Å
183	S	48	Very low	46.9	Very low	69 Å²	69	107.7 Å²	107.7	48%	0.483	62%	0.624	S	S	.	*	H	α-helix	trans	-70.6	-21.1	175.4	-171.5	0	0	0	0	113.9	N179 E180 T181 R187	N179-S183 VanDerWaalsContact O-CB 3.25Å; N179-S183 WeakPolarHBondContact O-CB 3.37Å; N179-S183 PolarHBondContact O-N 3.04Å; E180-S183 CarbonylContact O-C 3.52Å; E180-S183 PolarHBondContact O-N 2.87Å; T181-S183 VanDerWaalsContact C-N 3.33Å; T181-S183 PolarHBondContact O-N 2.92Å; S183-R187 PolarHBondContact O-NE 3.33Å; S183-R187 PolarHBondContact O-NH2 3.2Å; S183-R187 VanDerWaalsContact O-NH2 3.16Å
184	A	44.3	Very low	45.9	Very low	50 Å²	50	107.8 Å²	107.8	41%	0.413	64%	0.638	S	S	.	*	H	α-helix	trans	-75.6	-44.9	168.9	0	0	0	0	0	111.5	E180 T181 V182 S186	E180-A184 PolarHBondContact O-N 3.17Å; T181-A184 WeakPolarHBondContact O-CB 3.32Å; T181-A184 PolarHBondContact O-N 3.44Å; T181-A184 VanDerWaalsContact O-N 3.15Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.49Å; A184-S186 VanDerWaalsContact C-N 3.31Å; A184-S186 PolarHBondContact O-N 3.34Å
185	C	39.1	Very low	45.2	Very low	95 Å²	95	111.6 Å²	111.6	64%	0.642	66%	0.658	S	S	*	*	H	α-helix	trans	-63.8	-33.7	177.2	-66.4	0	0	0	0	113.1	T181 V182 R187	T181-C185 PolarHBondContact O-N 3.42Å; T181-C185 VanDerWaalsContact O-N 3.08Å; V182-C185 PolarHBondContact O-N 3.49Å; C185-R187 PolarHBondContact O-N 3.38Å
186	S	42.8	Very low	43.7	Very low	100 Å²	100	111.8 Å²	111.8	70%	0.699	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-4.5	-177.4	-170.5	0	0	0	0	115.8	V182 A184	V182-S186 PolarHBondContact O-N 3.02Å; A184-S186 VanDerWaalsContact C-N 3.31Å; A184-S186 PolarHBondContact O-N 3.34Å
187	R	41.1	Very low	42.5	Very low	181 Å²	181	112.8 Å²	112.8	68%	0.683	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-4.7	-174.5	-94.5	175.6	-74.4	156.6	-3.4	116.2	S183 C185	S183-R187 PolarHBondContact O-NE 3.33Å; S183-R187 PolarHBondContact O-NH2 3.2Å; S183-R187 VanDerWaalsContact O-NH2 3.16Å; C185-R187 PolarHBondContact O-N 3.38Å
188	N	41.1	Very low	40.7	Very low	154 Å²	154	111.1 Å²	111.1	82%	0.824	70%	0.699	S	S	*	*	S	Bend	trans	-117.8	53.4	-173.6	-70.2	-28.9	0	0	0	113.6
189	A	32.8	Very low	39.1	Very low	95 Å²	95	112.7 Å²	112.7	79%	0.785	71%	0.705	S	S	*	*			trans	-153.4	142.3	164.1	0	0	0	0	0	107.4
190	A	31.8	Very low	38.3	Very low	91 Å²	91	118.1 Å²	118.1	75%	0.752	72%	0.717	S	S	*	*			cis	-149.3	-159.4	4	0	0	0	0	0	107.1
191	P	43.8	Very low	36.8	Very low	117 Å²	117	115.5 Å²	115.5	76%	0.76	72%	0.719	S	S	*	*			cis	-132.6	179.5	1	42.6	-24.7	0	0	0	116.1
192	D	30.5	Very low	35.7	Very low	150 Å²	150	117.8 Å²	117.8	80%	0.802	74%	0.738	S	S	*	*			trans	-63.4	158.8	-178.1	-54.7	-93.7	0	0	0	116.9
193	K	31.5	Very low	34.5	Very low	215 Å²	215	117 Å²	117	94%	0.935	75%	0.748	S	S	*	*				-148.9	150.1	123.3	-114.4	173	-173.1	-179.5	0	112.8
194	A	32.4	Very low	33.4	Very low	94 Å²	94	118.9 Å²	118.9	78%	0.777	76%	0.762	S	S	*	*			trans	-77.3	161.1	-168.3	0	0	0	0	0	114.3
195	P	35.7	Very low	32.5	Very low	137 Å²	137	121 Å²	121	89%	0.89	77%	0.773	S	S	*	*			trans	-80.6	157.2	-172.9	33.2	-36.9	0	0	0	114
196	G	26	Very low	32	Very low	73 Å²	73	125.8 Å²	125.8	75%	0.753	79%	0.787	S	S	*	*			trans	-156.7	112.2	179.3	0	0	0	0	0	116.4
197	S	28.1	Very low	31.2	Very low	129 Å²	129	126.3 Å²	126.3	90%	0.902	79%	0.79	S	S	*	*			trans	56.5	113.8	141.6	-171.6	0	0	0	0	122.3
198	G	28.2	Very low	31.6	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	79%	0.793	S	S	*	*			trans	89.1	164.8	149.4	0	0	0	0	0	117.1
199	D	28.7	Very low	31.8	Very low	122 Å²	122	121.6 Å²	121.6	65%	0.652	79%	0.791	S	S	*	*			cis	-163.4	139	-17.1	-177.4	29.1	0	0	0	109.1
200	R	32.7	Very low	31.5	Very low	224 Å²	224	124.2 Å²	124.2	85%	0.845	79%	0.792	S	S	*	*			trans	58.9	158.3	167.1	-75.6	157.1	-165.6	179.1	-2.3	118.5
201	A	28.9	Very low	31.5	Very low	82 Å²	82	128.1 Å²	128.1	68%	0.678	80%	0.8	S	S	*	*			cis	-160.5	161.5	-14.3	0	0	0	0	0	112.1
202	S	29.2	Very low	30.8	Very low	129 Å²	129	131.5 Å²	131.5	90%	0.902	80%	0.802	S	S	*	*			trans	39.3	131.9	146	-55	0	0	0	0	123.7
203	G	26.7	Very low	30.6	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	81%	0.807	S	S	*	*			trans	137.2	85.3	160.7	0	0	0	0	0	113.1
204	S	25.9	Very low	30.5	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	80%	0.802	S	S	*	*				73.5	103	74.6	-163.3	0	0	0	0	116
205	S	24.7	Very low	30.1	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	80%	0.804	S	S	*	*			trans	69.2	139.2	137.3	65.4	0	0	0	0	123.2
206	Q	28.7	Very low	29.9	Very low	196 Å²	196	134.5 Å²	134.5	92%	0.916	80%	0.797	S	S	*	*			trans	80.9	148.8	150.8	-73.9	176.1	-2.5	0	0	121.3
207	S	27.6	Very low	29.9	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	81%	0.805	S	S	*	*			trans	-158.9	175	176.6	62.4	0	0	0	0	108.3
208	P	48.5	Very low	29.9	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	80%	0.801	S	S	*	*				-103.9	-167.5	-58	38.9	-27.4	0	0	0	110.3
209	P	44.9	Very low	29.9	Very low	123 Å²	123	147 Å²	147	80%	0.799	81%	0.807	S	S	*	*				-155.4	-176.9	93	40.6	-20.2	0	0	0	117.1
210	N	27.2	Very low	30	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	81%	0.808	S	S	*	*			trans	-72.5	164.3	-176.6	-51.1	-94.9	0	0	0	116.2
211	L	30.6	Very low	29.6	Very low	174 Å²	174	144.9 Å²	144.9	91%	0.911	80%	0.803	S	S	*	*			trans	-151	166.9	143.2	-114	169.2	0	0	0	112.6
212	K	31.2	Very low	29.6	Very low	187 Å²	187	149.1 Å²	149.1	81%	0.813	80%	0.801	S	S	*	*			trans	-132.1	161.1	-171	-56.8	172	-179.1	173.5	0	110.9
213	Y	25.1	Very low	29.5	Very low	232 Å²	232	147 Å²	147	91%	0.91	79%	0.792	S	S	*	*			trans	-150.6	168.5	148.2	-138.7	-103.8	0	0	0	114.7
214	K	30.2	Very low	29.7	Very low	189 Å²	189	153 Å²	153	82%	0.822	80%	0.797	S	S	*	*			trans	-109.8	163.8	-174.8	-57.7	176	177.7	177.9	0	112.5
215	S	23.9	Very low	29.6	Very low	119 Å²	119	156.8 Å²	156.8	83%	0.832	80%	0.802	S	S	*	*				-160.9	173.1	127.9	-156.3	0	0	0	0	112.6
216	T	30.1	Very low	29.7	Very low	120 Å²	120	162.7 Å²	162.7	74%	0.736	81%	0.81	S	S	*	*			trans	-154.4	143.2	-173.9	52.1	0	0	0	0	111.9
217	L	26.3	Very low	29.6	Very low	174 Å²	174	163.3 Å²	163.3	91%	0.911	81%	0.813	S	S	*	*			trans	173.1	177.7	133.4	-95.4	162.1	0	0	0	113.9
218	K	29.7	Very low	29.3	Very low	190 Å²	190	161.1 Å²	161.1	83%	0.826	81%	0.808	S	S	*	*			trans	-113.7	169	-174.6	-52.2	173.4	177.9	179	0	112
219	I	28.4	Very low	28.9	Very low	174 Å²	174	162.4 Å²	162.4	89%	0.892	82%	0.816	S	S	*	*			trans	-169.9	161.7	137.8	-102.6	154.9	0	0	0	111.4
220	E	29.2	Very low	28	Very low	145 Å²	145	163.3 Å²	163.3	68%	0.678	81%	0.81	S	S	*	*			trans	-99.1	165.4	178	-62	178.4	69.2	0	0	113	R222	E220-R222 IonicContact OE1-CZ 3.85Å; E220-R222 IonicContact OE1-NE 3.71Å; E220-R222 IonicContact OE1-NH2 3.34Å; E220-R222 PolarHBondContact OE1-NH2 2.97Å; E220-R222 IonicContact OE2-NH2 3.56Å
221	E	25	Very low	28	Very low	157 Å²	157	164.1 Å²	164.1	73%	0.734	81%	0.814	S	S	*	*				178.1	-157.8	114.3	-166.1	125.2	-139.4	0	0	111.3
222	R	28.1	Very low	28.2	Very low	170 Å²	170	163.5 Å²	163.5	64%	0.642	80%	0.804	S	S	*	*			trans	-151.2	177.4	-143.5	-50.1	151.9	-158.7	139.1	-9.4	109.2	E220	E220-R222 IonicContact OE1-CZ 3.85Å; E220-R222 IonicContact OE1-NE 3.71Å; E220-R222 IonicContact OE1-NH2 3.34Å; E220-R222 PolarHBondContact OE1-NH2 2.97Å; E220-R222 IonicContact OE2-NH2 3.56Å
223	A	26.9	Very low	28.6	Very low	86 Å²	86	160.2 Å²	160.2	71%	0.711	80%	0.802	S	S	*	*			cis	-160.7	173.4	8.9	0	0	0	0	0	113.2
224	K	31.6	Very low	28.6	Very low	200 Å²	200	153.9 Å²	153.9	87%	0.87	80%	0.797	S	S	*	*			trans	18.4	134.7	151.6	-61.3	175.3	-178.1	171.5	0	122.4
225	E	23.8	Very low	28.9	Very low	188 Å²	188	150.2 Å²	150.2	88%	0.879	80%	0.796	S	S	*	*				-165.4	-169.6	110.1	-106.3	-160.7	147.3	0	0	114
226	R	25.9	Very low	29.1	Very low	219 Å²	219	154.4 Å²	154.4	83%	0.826	80%	0.799	S	S	*	*				-148	136.3	-121	-105.1	-176.7	178.3	-88	10.3	112.5
227	Q	27.2	Very low	29.4	Very low	210 Å²	210	158 Å²	158	98%	0.981	81%	0.805	S	S	*	*			trans	172.9	171.4	139.8	-100.6	167.9	8	0	0	112.9
228	G	22.5	Very low	29.3	Very low	64 Å²	64	154.1 Å²	154.1	66%	0.66	79%	0.792	S	S	*	*			trans	-173.2	170.4	177.1	0	0	0	0	0	111
229	P	39.5	Very low	29	Very low	141 Å²	141	154.8 Å²	154.8	92%	0.916	80%	0.795	S	S	*	*				-137.3	-157.3	113.5	39.5	-27.1	0	0	0	113.3
230	E	25.8	Very low	29	Very low	142 Å²	142	155.8 Å²	155.8	66%	0.664	79%	0.793	S	S	*	*			trans	-102	151.9	-153.9	-51.8	-162.2	102	0	0	116.8	K232	E230-K232 WeakPolarHBondContact OE1-CE 3.39Å; E230-K232 IonicContact OE1-NZ 3.31Å; E230-K232 PolarHBondContact OE1-NZ 3.47Å
231	D	28.1	Very low	28.7	Very low	165 Å²	165	158.4 Å²	158.4	88%	0.882	80%	0.798	S	S	*	*				-144.9	152.9	121.5	-114.7	-31.6	0	0	0	109.7
232	K	34.6	Very low	28.8	Very low	161 Å²	161	158.5 Å²	158.5	70%	0.7	80%	0.796	S	S	*	*			trans	-157.8	170.3	-168.6	-86.9	-179.3	-166.9	149.6	0	111.1	E230	E230-K232 WeakPolarHBondContact OE1-CE 3.39Å; E230-K232 IonicContact OE1-NZ 3.31Å; E230-K232 PolarHBondContact OE1-NZ 3.47Å
233	P	38.6	Very low	28.4	Very low	118 Å²	118	157.3 Å²	157.3	77%	0.766	80%	0.798	S	S	*	*			cis	-123.1	-169.9	2.7	46	-32.3	0	0	0	111.5
234	A	25.6	Very low	28.6	Very low	99 Å²	99	158.1 Å²	158.1	82%	0.818	79%	0.794	S	S	*	*			cis	-138	136.9	-5.5	0	0	0	0	0	109.1
235	S	35.8	Very low	28.2	Very low	113 Å²	113	158.7 Å²	158.7	79%	0.79	80%	0.797	S	S	*	*			trans	-119.7	148.6	167.9	67.8	0	0	0	0	110.5
236	K	29	Very low	28.4	Very low	206 Å²	206	157.8 Å²	157.8	90%	0.896	79%	0.792	S	S	*	*			trans	-170.4	110.6	151.5	-105.5	154.5	-173.5	-178.6	0	111.2
237	K	35.9	Very low	28.6	Very low	197 Å²	197	152.8 Å²	152.8	86%	0.857	79%	0.791	S	S	*	*			trans	-63.5	158.5	139.2	-70.9	178.8	174	178	0	107.3
238	S	24.3	Very low	28.6	Very low	92 Å²	92	154.3 Å²	154.3	64%	0.643	79%	0.788	S	S	*	*				152.9	160.3	102.4	58.6	0	0	0	0	115.1
239	F	23.8	Very low	29	Very low	204 Å²	204	158.8 Å²	158.8	90%	0.895	80%	0.797	S	S	*	*			trans	75.3	162.9	158.6	-63.4	-58.1	0	0	0	120.1
240	F	26.8	Very low	28.5	Very low	194 Å²	194	155.1 Å²	155.1	85%	0.851	78%	0.784	S	S	*	*			trans	-141.7	157.2	-157.8	-137.6	-80.5	0	0	0	106
241	Y	23.9	Very low	28.7	Very low	201 Å²	201	154.7 Å²	154.7	79%	0.788	79%	0.787	S	S	*	*			trans	82.1	129.2	158.5	-135.2	-84.6	0	0	0	119.1
242	K	26.5	Very low	28.9	Very low	159 Å²	159	156.4 Å²	156.4	69%	0.691	78%	0.782	S	S	*	*			trans	62.2	156.3	-178.9	-88.8	176.6	156.6	-135.1	0	114.6
243	E	21.1	Very low	29	Very low	145 Å²	145	153.1 Å²	153.1	68%	0.678	79%	0.785	S	S	*	*			cis	-136.5	170.4	17.8	-160.5	129.9	-123.4	0	0	114.7
244	V	29.4	Very low	28.8	Very low	102 Å²	102	157.7 Å²	157.7	62%	0.618	79%	0.787	S	S	*	*			trans	-47.9	142.2	171.2	169.4	0	0	0	0	112.9	E246	V244-E246 HydrophobicContact CG1-CB 3.86Å; V244-E246 VanDerWaalsContact CG1-N 3.28Å
245	F	24.9	Very low	29	Very low	213 Å²	213	159.7 Å²	159.7	93%	0.934	78%	0.779	S	S	*	*			trans	-121.5	77.4	155.9	-100.8	-75.9	0	0	0	111.5
246	E	27.6	Very low	28.4	Very low	168 Å²	168	160.3 Å²	160.3	79%	0.785	78%	0.784	S	S	*	*			trans	-71.5	136.2	152.1	-175.3	173.8	-152.3	0	0	107.5	V244	V244-E246 HydrophobicContact CG1-CB 3.86Å; V244-E246 VanDerWaalsContact CG1-N 3.28Å
247	S	30.3	Very low	28.2	Very low	115 Å²	115	153.7 Å²	153.7	80%	0.804	77%	0.774	S	S	*	*			trans	-76.6	127	-167.1	57.5	0	0	0	0	113.2
248	R	27.4	Very low	27.7	Very low	241 Å²	241	155.1 Å²	155.1	91%	0.909	77%	0.774	S	S	*	*			trans	-150.4	128.9	163.7	-151.1	170.5	-171.4	162.4	4.1	113.9
249	N	29.3	Very low	27.6	Very low	159 Å²	159	159.6 Å²	159.6	85%	0.85	78%	0.782	S	S	*	*			trans	-77.9	145.7	169	-64.5	-22.3	0	0	0	110.7
250	G	29.2	Very low	27.7	Very low	63 Å²	63	159.4 Å²	159.4	65%	0.649	78%	0.781	S	S	*	*			trans	-85.8	177.5	160.2	0	0	0	0	0	112.4
251	D	31.2	Very low	28.2	Very low	133 Å²	133	155.6 Å²	155.6	71%	0.711	78%	0.776	S	S	*	*			cis	-158.7	159.9	-8.1	-130.6	-13.9	0	0	0	113.9
252	Y	32.2	Very low	28.4	Very low	202 Å²	202	155.3 Å²	155.3	79%	0.792	77%	0.774	S	S	*	*			trans	40.1	126.2	162.9	-66.5	-65	0	0	0	125.4
253	A	35.4	Very low	28.6	Very low	92 Å²	92	153.6 Å²	153.6	76%	0.76	77%	0.768	S	S	*	*				82.4	92.9	127	0	0	0	0	0	123.2
254	R	36	Very low	28.9	Very low	214 Å²	214	156.1 Å²	156.1	81%	0.808	77%	0.771	S	S	*	*				49.2	121.8	129.4	-108.3	-167.9	-176.4	-144.4	11.1	123
255	E	28.8	Very low	29	Very low	141 Å²	141	160.7 Å²	160.7	66%	0.659	78%	0.783	S	S	*	*				99.7	136.4	121.2	-154.4	142.9	-130.9	0	0	120.4
256	S	24.3	Very low	29.1	Very low	126 Å²	126	161 Å²	161	88%	0.881	78%	0.778	S	S	*	*			trans	66	154.3	175.9	-64.8	0	0	0	0	118.6
257	G	24.1	Very low	29	Very low	67 Å²	67	162.1 Å²	162.1	69%	0.691	78%	0.78	S	S	*	*			trans	173.8	-72.9	165.2	0	0	0	0	0	119.9
258	R	24.8	Very low	29	Very low	227 Å²	227	167.9 Å²	167.9	86%	0.857	79%	0.785	S	S	*	*			trans	67.3	158.7	-170.4	-54.7	-173.1	-71.9	-144.7	-1.1	117
259	F	22.6	Very low	29	Very low	186 Å²	186	160 Å²	160	82%	0.816	78%	0.778	S	S	*	*			trans	76.9	105.1	164	-65.8	-70.2	0	0	0	120.9
260	F	26.4	Very low	29.1	Very low	200 Å²	200	161.8 Å²	161.8	88%	0.877	78%	0.781	S	S	*	*			trans	-49.6	163.6	143.3	-75.9	-66.3	0	0	0	112.6
261	P	37.5	Very low	29.4	Very low	113 Å²	113	167.7 Å²	167.7	73%	0.734	79%	0.792	S	S	*	*			cis	-153.9	-179.9	40.5	44.5	-24.2	0	0	0	120.3
262	R	27.1	Very low	29.7	Very low	196 Å²	196	171.2 Å²	171.2	74%	0.74	80%	0.795	S	S	*	*			trans	81.5	141.2	148.5	-153.9	166.6	176	171.9	-7	115.3
263	E	30.8	Very low	30.4	Very low	123 Å²	123	166.4 Å²	166.4	58%	0.575	79%	0.789	S	S	*	*			cis	-123.2	161.8	15.6	-161.2	92.8	-120.1	0	0	113.6
264	R	27.8	Very low	30.8	Very low	197 Å²	197	167.7 Å²	167.7	74%	0.743	78%	0.783	S	S	*	*			trans	-52	129	-171.9	-59.9	132.8	170.5	149.1	-12.9	114.2
265	K	31.4	Very low	31.4	Very low	198 Å²	198	163.8 Å²	163.8	86%	0.861	78%	0.778	S	S	*	*				46.8	118.7	77.3	-82.5	-171.1	176.5	179.4	0	116.2
266	R	27	Very low	32.3	Very low	220 Å²	220	164.7 Å²	164.7	83%	0.83	78%	0.78	S	S	*	*				-163	139.7	101.4	-111	-163.2	-77.8	-161.1	5.8	115.8
267	F	26.1	Very low	33.7	Very low	191 Å²	191	163.8 Å²	163.8	84%	0.838	77%	0.769	S	S	*	*			trans	69.2	167.5	160.6	-72.1	-59.7	0	0	0	122
268	R	30.3	Very low	35.1	Very low	237 Å²	237	163.3 Å²	163.3	89%	0.894	76%	0.759	S	S	*	*			trans	-149.4	134.9	-146.1	165.2	-157.3	-77.8	-105.9	2.4	108.9
269	G	27.3	Very low	36.9	Very low	74 Å²	74	155.4 Å²	155.4	76%	0.763	74%	0.738	S	S	*	*			trans	85	119.4	155.2	0	0	0	0	0	116.3
270	Q	30.1	Very low	38.7	Very low	197 Å²	197	149.7 Å²	149.7	92%	0.921	72%	0.719	S	S	*	*				-145.6	145.3	103.7	-163.5	162	0.6	0	0	109.4
271	E	35.8	Very low	40.5	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	70%	0.699	S	S	*	*			trans	-78.4	149.7	-177.8	-160.8	158.2	-142.5	0	0	110.1
272	R	38.9	Very low	42	Very low	208 Å²	208	144.3 Å²	144.3	79%	0.785	69%	0.693	S	S	*	*			trans	-108.9	149.6	175.9	-88.6	-170.1	168.8	85.4	-1.6	111
273	P	45.4	Very low	44.2	Very low	101 Å²	101	136.9 Å²	136.9	66%	0.656	68%	0.678	S	S	*	*	S	Bend	trans	-88.1	-17	-161.4	-10.8	30.6	0	0	0	115.5	D275	P273-D275 PolarHBondContact O-N 2.95Å
274	D	44.5	Very low	46.4	Very low	119 Å²	119	136.3 Å²	136.3	64%	0.636	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-23.9	-157.8	-56.1	-66.4	0	0	0	115	F276 T277	D274-F276 PolarHBondContact O-N 3.07Å; D274-T277 PolarHBondContact O-N 3.11Å
275	D	48.5	Very low	48.5	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	67%	0.671	S	S	*	*	H	α-helix	trans	-63.5	-24.8	-178.2	-65.9	-32.7	0	0	0	113	P273 S279	P273-D275 PolarHBondContact O-N 2.95Å; D275-S279 WeakPolarHBondContact O-CB 3.45Å; D275-S279 PolarHBondContact O-N 3.44Å; D275-S279 VanDerWaalsContact O-N 3.13Å; D275-S279 PolarHBondContact O-OG 3.06Å
276	F	46.9	Very low	50.7	Low	159 Å²	159	127.3 Å²	127.3	70%	0.697	66%	0.655	S	S	*	*	H	α-helix	trans	-70.2	-39.1	-179.6	-154.4	-87.6	0	0	0	111.9	D274 S279 V280	D274-F276 PolarHBondContact O-N 3.07Å; F276-S279 PolarHBondContact O-OG 3.48Å; F276-V280 HydrophobicContact CD1-CG2 3.84Å; F276-V280 HydrophobicContact CE1-CG2 3.72Å; F276-V280 WeakPolarHBondContact O-CB 3.25Å; F276-V280 VanDerWaalsContact O-CG2 3.22Å; F276-V280 WeakPolarHBondContact O-CG2 3.36Å; F276-V280 PolarHBondContact O-N 3.36Å
277	T	54.1	Low	53.2	Low	107 Å²	107	124.5 Å²	124.5	66%	0.656	65%	0.645	S	S	*	*	H	α-helix	trans	-69.9	-40.3	-179.7	-48	0	0	0	0	111.1	D274 S281	D274-T277 PolarHBondContact O-N 3.11Å; T277-S281 WeakPolarHBondContact O-CB 3.34Å; T277-S281 PolarHBondContact O-N 3.3Å; T277-S281 PolarHBondContact O-OG 2.81Å
278	A	54.5	Low	55.7	Low	57 Å²	57	117.7 Å²	117.7	47%	0.471	62%	0.624	S	S	.	*	H	α-helix	trans	-62.8	-54.6	176.6	0	0	0	0	0	111.3	V280 S281 E282	A278-V280 PolarHBondContact O-N 2.95Å; A278-S281 PolarHBondContact O-N 3.44Å; A278-S281 VanDerWaalsContact O-N 3.07Å; A278-S281 PolarHBondContact O-OG 2.97Å; A278-E282 PolarHBondContact O-N 3.31Å
279	S	62	Low	57.5	Low	62 Å²	62	111 Å²	111	43%	0.434	61%	0.606	S	S	.	*	H	α-helix	trans	-63.5	-35	-178.9	53	0	0	0	0	113.6	D275 F276 G283	D275-S279 WeakPolarHBondContact O-CB 3.45Å; D275-S279 PolarHBondContact O-N 3.44Å; D275-S279 VanDerWaalsContact O-N 3.13Å; D275-S279 PolarHBondContact O-OG 3.06Å; F276-S279 PolarHBondContact O-OG 3.48Å; S279-G283 PolarHBondContact O-N 2.9Å
280	V	60.5	Low	60.1	Low	66 Å²	66	109.9 Å²	109.9	40%	0.4	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-41.8	171.2	167.9	0	0	0	0	111.4	F276 A278 E282 G283 I284	F276-V280 HydrophobicContact CD1-CG2 3.84Å; F276-V280 HydrophobicContact CE1-CG2 3.72Å; F276-V280 WeakPolarHBondContact O-CB 3.25Å; F276-V280 VanDerWaalsContact O-CG2 3.22Å; F276-V280 WeakPolarHBondContact O-CG2 3.36Å; F276-V280 PolarHBondContact O-N 3.36Å; A278-V280 PolarHBondContact O-N 2.95Å; V280-E282 PolarHBondContact O-N 3.2Å; V280-G283 PolarHBondContact O-N 3.42Å; V280-I284 HydrophobicContact CG1-CD1 3.69Å; V280-I284 HydrophobicContact CG1-CG1 4.39Å; V280-I284 WeakPolarHBondContact O-CB 3.46Å; V280-I284 VanDerWaalsContact O-CG1 3.27Å; V280-I284 WeakPolarHBondContact O-CG1 3.29Å; V280-I284 PolarHBondContact O-N 3.22Å
281	S	62.9	Low	62.5	Low	66 Å²	66	103.6 Å²	103.6	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-38.4	178	75.9	0	0	0	0	112.8	T277 A278 M285	T277-S281 WeakPolarHBondContact O-CB 3.34Å; T277-S281 PolarHBondContact O-N 3.3Å; T277-S281 PolarHBondContact O-OG 2.81Å; A278-S281 PolarHBondContact O-N 3.44Å; A278-S281 VanDerWaalsContact O-N 3.07Å; A278-S281 PolarHBondContact O-OG 2.97Å; S281-M285 WeakPolarHBondContact O-CB 3.43Å; S281-M285 PolarHBondContact O-N 3.15Å
282	E	69.4	Low	64.4	Low	133 Å²	133	99.1 Å²	99.1	62%	0.621	55%	0.547	S	S	*	.	H	α-helix	trans	-67.4	-42	174.7	-175	176.1	-167.3	0	0	111.7	A278 V280 M285 T286	A278-E282 PolarHBondContact O-N 3.31Å; V280-E282 PolarHBondContact O-N 3.2Å; E282-M285 PolarHBondContact O-N 3.23Å; E282-T286 WeakPolarHBondContact O-CB 3.29Å; E282-T286 PolarHBondContact O-N 3.16Å; E282-T286 PolarHBondContact O-OG1 3.25Å
283	G	74.6	Confident	66.2	Low	41 Å²	41	92.4 Å²	92.4	42%	0.423	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-44.1	174.4	0	0	0	0	0	113	S279 V280 T286 Y287	S279-G283 PolarHBondContact O-N 2.9Å; V280-G283 PolarHBondContact O-N 3.42Å; G283-T286 PolarHBondContact O-N 3.36Å; G283-Y287 WeakPolarHBondContact O-CB 3.38Å; G283-Y287 PolarHBondContact O-N 2.82Å
284	I	76.6	Confident	67.7	Low	110 Å²	110	93.1 Å²	93.1	56%	0.564	53%	0.53	S	S	*	.	H	α-helix	trans	-63.4	-44.4	175.5	-70.1	166.8	0	0	0	110.8	V280 Y287 A288	V280-I284 HydrophobicContact CG1-CD1 3.69Å; V280-I284 HydrophobicContact CG1-CG1 4.39Å; V280-I284 WeakPolarHBondContact O-CB 3.46Å; V280-I284 VanDerWaalsContact O-CG1 3.27Å; V280-I284 WeakPolarHBondContact O-CG1 3.29Å; V280-I284 PolarHBondContact O-N 3.22Å; I284-Y287 PolarHBondContact O-N 3.08Å; I284-A288 WeakPolarHBondContact O-CB 3.43Å; I284-A288 PolarHBondContact O-N 2.81Å
285	M	71.1	Confident	69.3	Low	122 Å²	122	92.4 Å²	92.4	60%	0.601	52%	0.524	S	S	*	.	H	α-helix	trans	-64	-41.3	177.7	-169.6	-177.5	-60	0	0	111.8	S281 E282 A288 N289	S281-M285 WeakPolarHBondContact O-CB 3.43Å; S281-M285 PolarHBondContact O-N 3.15Å; E282-M285 PolarHBondContact O-N 3.23Å; M285-A288 PolarHBondContact O-N 2.73Å; M285-N289 WeakPolarHBondContact O-CB 3.29Å; M285-N289 VanDerWaalsContact O-CG 3.26Å; M285-N289 PolarHBondContact O-N 2.87Å; M285-N289 PolarHBondContact O-ND2 3.5Å
286	T	77.2	Confident	70.5	Confident	85 Å²	85	91.2 Å²	91.2	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.1	-57.4	0	0	0	0	111.3	E282 G283 N289 S290	E282-T286 WeakPolarHBondContact O-CB 3.29Å; E282-T286 PolarHBondContact O-N 3.16Å; E282-T286 PolarHBondContact O-OG1 3.25Å; G283-T286 PolarHBondContact O-N 3.36Å; T286-N289 PolarHBondContact O-N 3.26Å; T286-S290 PolarHBondContact O-N 3.42Å
287	Y	80.9	Confident	71.8	Confident	161 Å²	161	87.8 Å²	87.8	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-65.4	-42.4	174.9	179.9	-105.6	0	0	0	112.6	G283 I284 N289 S290 V291	G283-Y287 WeakPolarHBondContact O-CB 3.38Å; G283-Y287 PolarHBondContact O-N 2.82Å; I284-Y287 PolarHBondContact O-N 3.08Å; Y287-N289 VanDerWaalsContact C-N 3.32Å; Y287-N289 PolarHBondContact O-N 2.89Å; Y287-S290 WeakPolarHBondContact CA-OG 3.48Å; Y287-S290 PolarHBondContact O-N 2.98Å; Y287-S290 PolarHBondContact O-OG 3.33Å; Y287-V291 HydrophobicContact CD1-CG2 4.27Å; Y287-V291 HydrophobicContact CD2-CG2 4.36Å; Y287-V291 HydrophobicContact CE1-CG2 3.81Å; Y287-V291 HydrophobicContact CE2-CG2 3.91Å; Y287-V291 WeakPolarHBondContact O-CG2 3.37Å; Y287-V291 PolarHBondContact O-N 3.38Å
288	A	77.6	Confident	72.8	Confident	48 Å²	48	85.7 Å²	85.7	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-43.7	174.5	0	0	0	0	0	111.3	I284 M285 S290 V291 V292	I284-A288 WeakPolarHBondContact O-CB 3.43Å; I284-A288 PolarHBondContact O-N 2.81Å; M285-A288 PolarHBondContact O-N 2.73Å; A288-S290 PolarHBondContact O-N 2.98Å; A288-V291 PolarHBondContact O-N 3.02Å; A288-V292 WeakPolarHBondContact O-CG2 3.25Å; A288-V292 PolarHBondContact O-N 2.84Å
289	N	68.7	Low	73.4	Confident	96 Å²	96	85.1 Å²	85.1	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-37	176	-72.9	-28.3	0	0	0	112.7	M285 T286 Y287 S293	M285-N289 WeakPolarHBondContact O-CB 3.29Å; M285-N289 VanDerWaalsContact O-CG 3.26Å; M285-N289 PolarHBondContact O-N 2.87Å; M285-N289 PolarHBondContact O-ND2 3.5Å; T286-N289 PolarHBondContact O-N 3.26Å; Y287-N289 VanDerWaalsContact C-N 3.32Å; Y287-N289 PolarHBondContact O-N 2.89Å; N289-S293 WeakPolarHBondContact O-CB 3.31Å; N289-S293 PolarHBondContact O-N 3.26Å; N289-S293 PolarHBondContact O-OG 2.93Å
290	S	81.4	Confident	73.4	Confident	50 Å²	50	88 Å²	88	35%	0.35	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-42.2	174.3	65.2	0	0	0	0	111.9	T286 Y287 A288 V292 S293 D294	T286-S290 PolarHBondContact O-N 3.42Å; Y287-S290 WeakPolarHBondContact CA-OG 3.48Å; Y287-S290 PolarHBondContact O-N 2.98Å; Y287-S290 PolarHBondContact O-OG 3.33Å; A288-S290 PolarHBondContact O-N 2.98Å; S290-V292 PolarHBondContact O-N 3.27Å; S290-S293 WeakPolarHBondContact O-CB 3.47Å; S290-S293 PolarHBondContact O-N 3.32Å; S290-D294 PolarHBondContact O-N 3.02Å
291	V	81.2	Confident	73.9	Confident	65 Å²	65	93 Å²	93	39%	0.394	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-42.5	176.6	171.3	0	0	0	0	111.6	Y287 A288 S293 M295	Y287-V291 HydrophobicContact CD1-CG2 4.27Å; Y287-V291 HydrophobicContact CD2-CG2 4.36Å; Y287-V291 HydrophobicContact CE1-CG2 3.81Å; Y287-V291 HydrophobicContact CE2-CG2 3.91Å; Y287-V291 WeakPolarHBondContact O-CG2 3.37Å; Y287-V291 PolarHBondContact O-N 3.38Å; A288-V291 PolarHBondContact O-N 3.02Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 2.78Å; V291-M295 VanDerWaalsContact O-CB 3.28Å; V291-M295 WeakPolarHBondContact O-CB 3.43Å; V291-M295 PolarHBondContact O-N 2.95Å
292	V	75.2	Confident	73.7	Confident	93 Å²	93	94.6 Å²	94.6	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-40.1	173.9	170.3	0	0	0	0	111.1	A288 S290 M295 M296	A288-V292 WeakPolarHBondContact O-CG2 3.25Å; A288-V292 PolarHBondContact O-N 2.84Å; S290-V292 PolarHBondContact O-N 3.27Å; V292-M295 PolarHBondContact O-N 2.96Å; V292-M296 VanDerWaalsContact O-CB 3.31Å; V292-M296 WeakPolarHBondContact O-CB 3.41Å; V292-M296 PolarHBondContact O-N 3.38Å
293	S	76	Confident	73.1	Confident	67 Å²	67	92.9 Å²	92.9	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-46.7	177.8	-59.8	0	0	0	0	112.3	N289 S290 V291 M295 M296 V297	N289-S293 WeakPolarHBondContact O-CB 3.31Å; N289-S293 PolarHBondContact O-N 3.26Å; N289-S293 PolarHBondContact O-OG 2.93Å; S290-S293 WeakPolarHBondContact O-CB 3.47Å; S290-S293 PolarHBondContact O-N 3.32Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 2.78Å; S293-M295 VanDerWaalsContact C-N 3.34Å; S293-M295 PolarHBondContact O-N 3.09Å; S293-M296 WeakPolarHBondContact O-CB 3.4Å; S293-M296 PolarHBondContact O-N 3.02Å; S293-V297 WeakPolarHBondContact O-CG2 3.46Å; S293-V297 PolarHBondContact O-N 2.8Å
294	D	77.6	Confident	72.1	Confident	116 Å²	116	99.6 Å²	99.6	62%	0.62	53%	0.53	S	S	*	.	H	α-helix	trans	-65.8	-37	177.1	-79.6	-21	0	0	0	111.7	S290 V297 S298	S290-D294 PolarHBondContact O-N 3.02Å; D294-V297 PolarHBondContact O-N 2.8Å; D294-S298 WeakPolarHBondContact O-CB 3.12Å; D294-S298 PolarHBondContact O-N 3.12Å
295	M	77.9	Confident	70.9	Confident	104 Å²	104	97.3 Å²	97.3	51%	0.512	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-41.5	174.3	-164.1	175.2	76.3	0	0	111.3	V291 V292 S293 S298 I299	V291-M295 VanDerWaalsContact O-CB 3.28Å; V291-M295 WeakPolarHBondContact O-CB 3.43Å; V291-M295 PolarHBondContact O-N 2.95Å; V292-M295 PolarHBondContact O-N 2.96Å; S293-M295 VanDerWaalsContact C-N 3.34Å; S293-M295 PolarHBondContact O-N 3.09Å; M295-S298 PolarHBondContact O-N 3.15Å; M295-I299 HydrophobicContact CE-CD1 4.44Å; M295-I299 HydrophobicContact CG-CD1 3.97Å; M295-I299 WeakPolarHBondContact O-CB 3.25Å; M295-I299 WeakPolarHBondContact O-CD1 3.45Å; M295-I299 WeakPolarHBondContact O-CG1 3.45Å; M295-I299 PolarHBondContact O-N 3.47Å
296	M	73.3	Confident	70.1	Confident	107 Å²	107	99.2 Å²	99.2	53%	0.527	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-46.9	173.6	-172.2	74	170.9	0	0	111.4	V292 S293 I299 M300	V292-M296 VanDerWaalsContact O-CB 3.31Å; V292-M296 WeakPolarHBondContact O-CB 3.41Å; V292-M296 PolarHBondContact O-N 3.38Å; S293-M296 WeakPolarHBondContact O-CB 3.4Å; S293-M296 PolarHBondContact O-N 3.02Å; M296-I299 PolarHBondContact O-N 3.18Å; M296-M300 HydrophobicContact CG-SD 4.48Å; M296-M300 WeakPolarHBondContact O-CG 3.3Å; M296-M300 PolarHBondContact O-N 3.44Å
297	V	74.9	Confident	68.9	Low	88 Å²	88	101.6 Å²	101.6	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.2	170	0	0	0	0	111.4	S293 D294 M300 K301	S293-V297 WeakPolarHBondContact O-CG2 3.46Å; S293-V297 PolarHBondContact O-N 2.8Å; D294-V297 PolarHBondContact O-N 2.8Å; V297-M300 PolarHBondContact O-N 3.04Å; V297-K301 WeakPolarHBondContact O-CB 3.47Å; V297-K301 PolarHBondContact O-N 3.42Å
298	S	74.9	Confident	67.6	Low	63 Å²	63	103 Å²	103	44%	0.441	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-43.5	176.5	-170.6	0	0	0	0	112	D294 M295 K301 T302	D294-S298 WeakPolarHBondContact O-CB 3.12Å; D294-S298 PolarHBondContact O-N 3.12Å; M295-S298 PolarHBondContact O-N 3.15Å; S298-K301 PolarHBondContact O-N 3.26Å; S298-T302 WeakPolarHBondContact O-CB 3.24Å; S298-T302 WeakPolarHBondContact O-CG2 3.29Å; S298-T302 PolarHBondContact O-N 3.28Å; S298-T302 PolarHBondContact O-OG1 2.92Å
299	I	67.6	Low	66.4	Low	44 Å²	44	105.7 Å²	105.7	23%	0.226	56%	0.557	C	S	.	*	H	α-helix	trans	-62.5	-47.3	174.9	-71.2	165.6	0	0	0	110.4	M295 M296 K301 T302 L303 L317	M295-I299 HydrophobicContact CE-CD1 4.44Å; M295-I299 HydrophobicContact CG-CD1 3.97Å; M295-I299 WeakPolarHBondContact O-CB 3.25Å; M295-I299 WeakPolarHBondContact O-CD1 3.45Å; M295-I299 WeakPolarHBondContact O-CG1 3.45Å; M295-I299 PolarHBondContact O-N 3.47Å; M296-I299 PolarHBondContact O-N 3.18Å; I299-K301 VanDerWaalsContact C-N 3.31Å; I299-K301 PolarHBondContact O-N 2.75Å; I299-T302 WeakPolarHBondContact CA-OG1 3.26Å; I299-T302 PolarHBondContact O-N 3.01Å; I299-T302 PolarHBondContact O-OG1 2.88Å; I299-T302 VanDerWaalsContact O-OG1 3.13Å; I299-L303 HydrophobicContact CG2-CD1 3.64Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 WeakPolarHBondContact O-CB 3.38Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.42Å; I299-L303 PolarHBondContact O-N 2.9Å; I299-L317 HydrophobicContact CD1-CD1 4.27Å
300	M	62.6	Low	65.8	Low	124 Å²	124	104.4 Å²	104.4	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-37.9	176.7	-71.9	179.4	67.5	0	0	112.6	M296 V297	M296-M300 HydrophobicContact CG-SD 4.48Å; M296-M300 WeakPolarHBondContact O-CG 3.3Å; M296-M300 PolarHBondContact O-N 3.44Å; V297-M300 PolarHBondContact O-N 3.04Å
301	K	69.9	Low	64.9	Low	170 Å²	170	106.9 Å²	106.9	74%	0.739	57%	0.565	S	S	*	*	H	α-helix	trans	-74.9	-35.3	-179.4	-173.2	177.6	-179.2	-178.3	0	113.3	V297 S298 I299	V297-K301 WeakPolarHBondContact O-CB 3.47Å; V297-K301 PolarHBondContact O-N 3.42Å; S298-K301 PolarHBondContact O-N 3.26Å; I299-K301 VanDerWaalsContact C-N 3.31Å; I299-K301 PolarHBondContact O-N 2.75Å
302	T	59.7	Low	64	Low	99 Å²	99	109 Å²	109	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-76.7	-41	178.4	47.3	0	0	0	0	112.2	S298 I299 K304	S298-T302 WeakPolarHBondContact O-CB 3.24Å; S298-T302 WeakPolarHBondContact O-CG2 3.29Å; S298-T302 PolarHBondContact O-N 3.28Å; S298-T302 PolarHBondContact O-OG1 2.92Å; I299-T302 WeakPolarHBondContact CA-OG1 3.26Å; I299-T302 PolarHBondContact O-N 3.01Å; I299-T302 PolarHBondContact O-OG1 2.88Å; I299-T302 VanDerWaalsContact O-OG1 3.13Å; T302-K304 VanDerWaalsContact C-N 3.3Å; T302-K304 PolarHBondContact O-N 3.33Å
303	L	55.7	Low	63.3	Low	97 Å²	97	105.6 Å²	105.6	51%	0.508	56%	0.556	S	S	.	*	H	α-helix	trans	-74.9	-11.5	-177.1	-64.1	176.1	0	0	0	114.6	I299 I305	I299-L303 HydrophobicContact CG2-CD1 3.64Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 WeakPolarHBondContact O-CB 3.38Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.42Å; I299-L303 PolarHBondContact O-N 2.9Å; L303-I305 HydrophobicContact CB-CD1 3.67Å; L303-I305 HydrophobicContact CB-CG1 3.73Å; L303-I305 HydrophobicContact CD1-CD1 3.87Å; L303-I305 HydrophobicContact CG-CD1 4.43Å; L303-I305 PolarHBondContact O-N 3.36Å
304	K	53.3	Low	62.6	Low	183 Å²	183	106.5 Å²	106.5	80%	0.796	56%	0.559	S	S	*	*			trans	49.5	30	177.9	-77.4	-173.7	174.4	176.6	0	114.9	T302 Q306	T302-K304 VanDerWaalsContact C-N 3.3Å; T302-K304 PolarHBondContact O-N 3.33Å; K304-Q306 PolarHBondContact O-N 3.4Å; K304-Q306 VanDerWaalsContact O-N 3.11Å
305	I	52.8	Low	62.2	Low	62 Å²	62	105.9 Å²	105.9	32%	0.318	55%	0.554	S	S	.	*			trans	-62.3	114.9	-172.2	-64.7	158	0	0	0	110.3	L303 A313	L303-I305 HydrophobicContact CB-CD1 3.67Å; L303-I305 HydrophobicContact CB-CG1 3.73Å; L303-I305 HydrophobicContact CD1-CD1 3.87Å; L303-I305 HydrophobicContact CG-CD1 4.43Å; L303-I305 PolarHBondContact O-N 3.36Å; I305-A313 HydrophobicContact CD1-CB 3.43Å; I305-A313 VanDerWaalsContact CD1-CB 3.43Å; I305-A313 HydrophobicContact CG1-CB 4.29Å
306	Q	54.3	Low	61.9	Low	161 Å²	161	105.8 Å²	105.8	75%	0.752	56%	0.555	S	S	*	*			trans	-71.3	147.6	158.6	-64.8	-168.3	15.6	0	0	108.5	K304 K308 D309	K304-Q306 PolarHBondContact O-N 3.4Å; K304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-K308 PolarHBondContact O-N 2.99Å; Q306-D309 PolarHBondContact O-N 2.95Å
307	V	52	Low	62	Low	136 Å²	136	103.3 Å²	103.3	82%	0.824	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	21	-160.8	-167.6	0	0	0	0	114.9
308	K	52.8	Low	62	Low	191 Å²	191	106.3 Å²	106.3	83%	0.83	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-30.6	176.5	-65.5	-172.3	175.7	-175.2	0	113.5	Q306 T310	Q306-K308 PolarHBondContact O-N 2.99Å; K308-T310 VanDerWaalsContact C-N 3.33Å
309	D	51.9	Low	62	Low	104 Å²	104	111 Å²	111	56%	0.556	56%	0.562	S	S	*	*	S	Bend	trans	-93.8	9.2	-176.6	-58	-55.9	0	0	0	113.7	Q306 T311 L312 A313	Q306-D309 PolarHBondContact O-N 2.95Å; D309-T311 PolarHBondContact O-N 3.09Å; D309-L312 PolarHBondContact O-N 3.31Å; D309-L312 VanDerWaalsContact O-N 3.08Å; D309-A313 PolarHBondContact O-N 2.96Å; D309-A313 VanDerWaalsContact O-N 3.11Å
310	T	57.9	Low	62.7	Low	68 Å²	68	113 Å²	113	42%	0.417	58%	0.576	S	S	.	*	H	α-helix	trans	-49.7	-43.5	-179.2	-31.6	0	0	0	0	111.9	K308 A313 T314	K308-T310 VanDerWaalsContact C-N 3.33Å; T310-A313 PolarHBondContact O-N 2.79Å; T310-T314 PolarHBondContact O-N 3.39Å; T310-T314 PolarHBondContact O-OG1 3.49Å
311	T	61.8	Low	63.3	Low	102 Å²	102	111.5 Å²	111.5	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-63.5	-42.7	-179.2	-43.8	0	0	0	0	112.6	D309 T314 I315	D309-T311 PolarHBondContact O-N 3.09Å; T311-T314 PolarHBondContact O-N 3.46Å; T311-I315 HydrophobicContact CG2-CD1 4.18Å; T311-I315 VanDerWaalsContact O-CG1 3.28Å; T311-I315 WeakPolarHBondContact O-CG1 3.4Å; T311-I315 PolarHBondContact O-N 3.01Å
312	L	61.6	Low	63.6	Low	110 Å²	110	108.2 Å²	108.2	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-68	-43.1	179.6	-163.8	81.2	0	0	0	110.5	D309 T314 I315 L316	D309-L312 PolarHBondContact O-N 3.31Å; D309-L312 VanDerWaalsContact O-N 3.08Å; L312-T314 PolarHBondContact O-N 3.17Å; L312-I315 PolarHBondContact O-N 2.98Å; L312-L316 HydrophobicContact CG-CD1 4.42Å; L312-L316 WeakPolarHBondContact O-CG 3.06Å; L312-L316 PolarHBondContact O-N 3.46Å
313	A	61	Low	64.7	Low	22 Å²	22	110 Å²	110	18%	0.182	56%	0.559	C	S	.	*	H	α-helix	trans	-61	-42.4	174.9	0	0	0	0	0	112.2	I305 D309 T310 L316 L317	I305-A313 HydrophobicContact CD1-CB 3.43Å; I305-A313 VanDerWaalsContact CD1-CB 3.43Å; I305-A313 HydrophobicContact CG1-CB 4.29Å; D309-A313 PolarHBondContact O-N 2.96Å; D309-A313 VanDerWaalsContact O-N 3.11Å; T310-A313 PolarHBondContact O-N 2.79Å; A313-L316 PolarHBondContact O-N 3.44Å; A313-L317 WeakPolarHBondContact O-CB 3.4Å; A313-L317 PolarHBondContact O-N 2.92Å
314	T	62.1	Low	66.1	Low	86 Å²	86	111 Å²	111	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-38.1	175.3	-59.4	0	0	0	0	112.3	T310 T311 L312 K318	T310-T314 PolarHBondContact O-N 3.39Å; T310-T314 PolarHBondContact O-OG1 3.49Å; T311-T314 PolarHBondContact O-N 3.46Å; L312-T314 PolarHBondContact O-N 3.17Å; T314-K318 VanDerWaalsContact O-CB 3.23Å; T314-K318 WeakPolarHBondContact O-CB 3.48Å; T314-K318 PolarHBondContact O-N 3.49Å
315	I	68.6	Low	67.3	Low	103 Å²	103	104.8 Å²	104.8	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.8	-70.8	164.2	0	0	0	110.9	T311 L312 K318 K319	T311-I315 HydrophobicContact CG2-CD1 4.18Å; T311-I315 VanDerWaalsContact O-CG1 3.28Å; T311-I315 WeakPolarHBondContact O-CG1 3.4Å; T311-I315 PolarHBondContact O-N 3.01Å; L312-I315 PolarHBondContact O-N 2.98Å; I315-K318 PolarHBondContact O-N 3.08Å; I315-K319 WeakPolarHBondContact O-CB 3.44Å; I315-K319 PolarHBondContact O-N 2.94Å
316	L	71.8	Confident	68.9	Low	101 Å²	101	108.4 Å²	108.4	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-45.5	177.6	-69.8	172.2	0	0	0	111.6	L312 A313 K318 K319 V320	L312-L316 HydrophobicContact CG-CD1 4.42Å; L312-L316 WeakPolarHBondContact O-CG 3.06Å; L312-L316 PolarHBondContact O-N 3.46Å; A313-L316 PolarHBondContact O-N 3.44Å; L316-K318 PolarHBondContact O-N 3.49Å; L316-K319 PolarHBondContact O-N 3.43Å; L316-K319 VanDerWaalsContact O-N 3.13Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.02Å
317	L	74.8	Confident	70.4	Confident	56 Å²	56	103.7 Å²	103.7	29%	0.293	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-43.1	175.9	-176.9	62.3	0	0	0	111.3	I299 A313 K319 V320 L321	I299-L317 HydrophobicContact CD1-CD1 4.27Å; A313-L317 WeakPolarHBondContact O-CB 3.4Å; A313-L317 PolarHBondContact O-N 2.92Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.25Å; L317-V320 PolarHBondContact O-N 3.36Å; L317-L321 HydrophobicContact CD1-CD1 4.04Å; L317-L321 HydrophobicContact CD1-CG 4.09Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 HydrophobicContact CG-CG 4.33Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.3Å; L317-L321 PolarHBondContact O-N 3.3Å
318	K	75.5	Confident	72.1	Confident	151 Å²	151	101.3 Å²	101.3	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-60.3	-41.4	173.4	-176.9	177.4	179.6	179.4	0	111.8	T314 I315 L316 L322	T314-K318 VanDerWaalsContact O-CB 3.23Å; T314-K318 WeakPolarHBondContact O-CB 3.48Å; T314-K318 PolarHBondContact O-N 3.49Å; I315-K318 PolarHBondContact O-N 3.08Å; L316-K318 PolarHBondContact O-N 3.49Å; K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 PolarHBondContact O-N 3.14Å
319	K	74.8	Confident	73.6	Confident	160 Å²	160	95.9 Å²	95.9	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-67.4	-40	178.7	-167.1	173.8	-177.7	178.3	0	112.1	I315 L316 L317 K323	I315-K319 WeakPolarHBondContact O-CB 3.44Å; I315-K319 PolarHBondContact O-N 2.94Å; L316-K319 PolarHBondContact O-N 3.43Å; L316-K319 VanDerWaalsContact O-N 3.13Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.25Å; K319-K323 PolarHBondContact O-N 3.47Å; K319-K323 VanDerWaalsContact O-N 3.11Å
320	V	81.1	Confident	75.4	Confident	86 Å²	86	94.1 Å²	94.1	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-48.9	176.2	172.8	0	0	0	0	111.4	L316 L317 L322 K323 H324	L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.02Å; L317-V320 PolarHBondContact O-N 3.36Å; V320-L322 PolarHBondContact O-N 3.16Å; V320-K323 PolarHBondContact O-N 3.32Å; V320-H324 PolarHBondContact O-N 3.41Å
321	L	75.8	Confident	77	Confident	93 Å²	93	95.9 Å²	95.9	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-41.6	177.8	-71.5	173.8	0	0	0	111.9	L317 K323 H324 A325	L317-L321 HydrophobicContact CD1-CD1 4.04Å; L317-L321 HydrophobicContact CD1-CG 4.09Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 HydrophobicContact CG-CG 4.33Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.3Å; L317-L321 PolarHBondContact O-N 3.3Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.38Å; L321-H324 PolarHBondContact O-N 2.91Å; L321-A325 VanDerWaalsContact O-CB 3.22Å; L321-A325 WeakPolarHBondContact O-CB 3.17Å; L321-A325 PolarHBondContact O-N 3.09Å
322	L	75.9	Confident	78.1	Confident	101 Å²	101	95.4 Å²	95.4	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-30.1	177.3	-172.4	65.2	0	0	0	112.4	K318 V320 K326	K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 PolarHBondContact O-N 3.14Å; V320-L322 PolarHBondContact O-N 3.16Å; L322-K326 WeakPolarHBondContact O-CG 3.33Å; L322-K326 PolarHBondContact O-N 3.2Å
323	K	84.1	Confident	79.3	Confident	136 Å²	136	94.7 Å²	94.7	59%	0.591	50%	0.498	S	S	*	.	H	α-helix	trans	-68.6	-56.4	170.4	-170.6	-173.5	170.9	-173.6	0	110.4	K319 V320 L321 A325 K326 D327	K319-K323 PolarHBondContact O-N 3.47Å; K319-K323 VanDerWaalsContact O-N 3.11Å; V320-K323 PolarHBondContact O-N 3.32Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.38Å; K323-A325 PolarHBondContact O-N 2.95Å; K323-K326 WeakPolarHBondContact O-CA 3.36Å; K323-K326 WeakPolarHBondContact O-CB 3.41Å; K323-K326 PolarHBondContact O-N 3.26Å; K323-D327 WeakPolarHBondContact CE-OD2 3.21Å; K323-D327 VanDerWaalsContact O-CG 3.23Å; K323-D327 PolarHBondContact O-N 3.26Å
324	H	84.3	Confident	80.7	Confident	118 Å²	118	97.5 Å²	97.5	55%	0.546	51%	0.509	S	S	.	.	H	α-helix	trans	-57.5	-35.8	-179.3	-112.2	-58.6	0	0	0	113.1	V320 L321 D327 V328	V320-H324 PolarHBondContact O-N 3.41Å; L321-H324 PolarHBondContact O-N 2.91Å; H324-D327 PolarHBondContact O-N 2.9Å; H324-V328 WeakPolarHBondContact O-CB 3.21Å; H324-V328 VanDerWaalsContact O-CG2 3.27Å; H324-V328 WeakPolarHBondContact O-CG2 3.5Å; H324-V328 PolarHBondContact O-N 3.36Å
325	A	79.3	Confident	81.9	Confident	53 Å²	53	96.6 Å²	96.6	44%	0.438	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-37.6	174.7	0	0	0	0	0	112.7	L321 K323 V329	L321-A325 VanDerWaalsContact O-CB 3.22Å; L321-A325 WeakPolarHBondContact O-CB 3.17Å; L321-A325 PolarHBondContact O-N 3.09Å; K323-A325 PolarHBondContact O-N 2.95Å; A325-V329 VanDerWaalsContact O-CB 3.3Å; A325-V329 WeakPolarHBondContact O-CB 3.15Å; A325-V329 WeakPolarHBondContact O-CG2 3.28Å; A325-V329 PolarHBondContact O-N 3.24Å
326	K	85.1	Confident	82.7	Confident	138 Å²	138	97.5 Å²	97.5	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-48.1	172	-78.3	-178.2	173.3	-162.7	0	111.2	L322 K323 V328 V329 S330	L322-K326 WeakPolarHBondContact O-CG 3.33Å; L322-K326 PolarHBondContact O-N 3.2Å; K323-K326 WeakPolarHBondContact O-CA 3.36Å; K323-K326 WeakPolarHBondContact O-CB 3.41Å; K323-K326 PolarHBondContact O-N 3.26Å; K326-V328 PolarHBondContact O-N 3.05Å; K326-V329 PolarHBondContact O-N 3Å; K326-S330 WeakPolarHBondContact O-CB 3.46Å; K326-S330 PolarHBondContact O-N 2.92Å; K326-S330 PolarHBondContact O-OG 2.89Å
327	D	85.5	Confident	83.6	Confident	63 Å²	63	97 Å²	97	34%	0.337	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-49.2	-179.3	-56.9	-16.5	0	0	0	110.1	K323 H324 V329 S330 D331	K323-D327 WeakPolarHBondContact CE-OD2 3.21Å; K323-D327 VanDerWaalsContact O-CG 3.23Å; K323-D327 PolarHBondContact O-N 3.26Å; H324-D327 PolarHBondContact O-N 2.9Å; D327-V329 PolarHBondContact O-N 2.92Å; D327-S330 WeakPolarHBondContact O-CB 3.45Å; D327-S330 PolarHBondContact O-N 3.48Å; D327-D331 PolarHBondContact O-N 2.83Å
328	V	88.3	Confident	84.3	Confident	85 Å²	85	101.3 Å²	101.3	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-37.2	176.8	169.4	0	0	0	0	113.2	H324 K326 L332	H324-V328 WeakPolarHBondContact O-CB 3.21Å; H324-V328 VanDerWaalsContact O-CG2 3.27Å; H324-V328 WeakPolarHBondContact O-CG2 3.5Å; H324-V328 PolarHBondContact O-N 3.36Å; K326-V328 PolarHBondContact O-N 3.05Å; V328-L332 VanDerWaalsContact O-CB 3.24Å; V328-L332 WeakPolarHBondContact O-CB 3.41Å; V328-L332 PolarHBondContact O-N 3.27Å
329	V	85.6	Confident	84.9	Confident	78 Å²	78	98.2 Å²	98.2	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-69.1	-37.5	175.4	165.9	0	0	0	0	111.1	A325 K326 D327 L332 I333	A325-V329 VanDerWaalsContact O-CB 3.3Å; A325-V329 WeakPolarHBondContact O-CB 3.15Å; A325-V329 WeakPolarHBondContact O-CG2 3.28Å; A325-V329 PolarHBondContact O-N 3.24Å; K326-V329 PolarHBondContact O-N 3Å; D327-V329 PolarHBondContact O-N 2.92Å; V329-L332 PolarHBondContact O-N 3.49Å; V329-I333 HydrophobicContact CG1-CD1 3.78Å; V329-I333 HydrophobicContact CG1-CG1 4.45Å; V329-I333 WeakPolarHBondContact O-CB 3.44Å; V329-I333 VanDerWaalsContact O-CG1 3.26Å; V329-I333 WeakPolarHBondContact O-CG1 3.46Å; V329-I333 PolarHBondContact O-N 2.94Å
330	S	89.6	Confident	85.4	Confident	67 Å²	67	95.1 Å²	95.1	47%	0.469	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-52.8	172.9	-67.9	0	0	0	0	110.9	K326 D327 L332 I333 D334	K326-S330 WeakPolarHBondContact O-CB 3.46Å; K326-S330 PolarHBondContact O-N 2.92Å; K326-S330 PolarHBondContact O-OG 2.89Å; D327-S330 WeakPolarHBondContact O-CB 3.45Å; D327-S330 PolarHBondContact O-N 3.48Å; S330-L332 PolarHBondContact O-N 3.36Å; S330-I333 PolarHBondContact O-N 3.48Å; S330-I333 VanDerWaalsContact O-N 3.16Å; S330-D334 WeakPolarHBondContact O-CB 3.29Å; S330-D334 PolarHBondContact O-N 3.02Å
331	D	90.8	Very high	85.6	Confident	105 Å²	105	97.2 Å²	97.2	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-55.2	-38.8	176.4	-74.2	-29.1	0	0	0	112.4	D327 S335	D327-D331 PolarHBondContact O-N 2.83Å; D331-S335 VanDerWaalsContact O-CB 3.24Å; D331-S335 WeakPolarHBondContact O-CB 3.43Å; D331-S335 PolarHBondContact O-N 3.5Å
332	L	85.8	Confident	86.3	Confident	92 Å²	92	96.3 Å²	96.3	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-69.6	-44.1	178.1	-176.9	61.5	0	0	0	112.3	V328 V329 S330 S335 F336	V328-L332 VanDerWaalsContact O-CB 3.24Å; V328-L332 WeakPolarHBondContact O-CB 3.41Å; V328-L332 PolarHBondContact O-N 3.27Å; V329-L332 PolarHBondContact O-N 3.49Å; S330-L332 PolarHBondContact O-N 3.36Å; L332-S335 PolarHBondContact O-N 2.92Å; L332-F336 HydrophobicContact CD1-CD2 3.95Å; L332-F336 HydrophobicContact CD1-CE2 3.58Å; L332-F336 HydrophobicContact CD1-CZ 4.45Å; L332-F336 HydrophobicContact CD2-CE2 4.29Å; L332-F336 HydrophobicContact CG-CD2 3.91Å; L332-F336 HydrophobicContact CG-CE2 3.74Å; L332-F336 VanDerWaalsContact O-CD2 3.23Å; L332-F336 WeakPolarHBondContact O-CD2 3.48Å; L332-F336 PolarHBondContact O-N 2.9Å
333	I	85.6	Confident	86.7	Confident	95 Å²	95	95.7 Å²	95.7	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.6	-71.9	164.8	0	0	0	110	V329 S330 S335 F336 M337	V329-I333 HydrophobicContact CG1-CD1 3.78Å; V329-I333 HydrophobicContact CG1-CG1 4.45Å; V329-I333 WeakPolarHBondContact O-CB 3.44Å; V329-I333 VanDerWaalsContact O-CG1 3.26Å; V329-I333 WeakPolarHBondContact O-CG1 3.46Å; V329-I333 PolarHBondContact O-N 2.94Å; S330-I333 PolarHBondContact O-N 3.48Å; S330-I333 VanDerWaalsContact O-N 3.16Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 3.31Å; I333-F336 PolarHBondContact O-N 3.41Å; I333-M337 HydrophobicContact CG2-CG 4.33Å; I333-M337 WeakPolarHBondContact O-CB 3.45Å; I333-M337 WeakPolarHBondContact O-CG 3.38Å; I333-M337 PolarHBondContact O-N 3.35Å
334	D	90.6	Very high	86.7	Confident	81 Å²	81	92.5 Å²	92.5	43%	0.433	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-39.8	177.5	-110.6	42.5	0	0	0	112.2	S330 R338	S330-D334 WeakPolarHBondContact O-CB 3.29Å; S330-D334 PolarHBondContact O-N 3.02Å; D334-R338 WeakPolarHBondContact O-CB 3.33Å; D334-R338 WeakPolarHBondContact O-CG 3.27Å; D334-R338 PolarHBondContact O-N 2.69Å; D334-R338 PolarHBondContact O-NE 3.4Å; D334-R338 IonicContact OD2-CZ 2.68Å; D334-R338 IonicContact OD2-NH1 2.74Å; D334-R338 PolarHBondContact OD2-NH1 2.91Å; D334-R338 IonicContact OD2-NH2 2.75Å
335	S	88	Confident	86.6	Confident	66 Å²	66	88.7 Å²	88.7	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-45.6	173.6	-169.8	0	0	0	0	112	D331 L332 I333 R338 N339	D331-S335 VanDerWaalsContact O-CB 3.24Å; D331-S335 WeakPolarHBondContact O-CB 3.43Å; D331-S335 PolarHBondContact O-N 3.5Å; L332-S335 PolarHBondContact O-N 2.92Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 3.31Å; S335-R338 PolarHBondContact O-N 3.34Å; S335-N339 VanDerWaalsContact O-CB 3.31Å; S335-N339 WeakPolarHBondContact O-CB 3.19Å; S335-N339 PolarHBondContact O-N 2.93Å
336	F	84.8	Confident	86.8	Confident	123 Å²	123	90.4 Å²	90.4	54%	0.539	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-43.9	174.3	-85.2	-62.6	0	0	0	112.2	L332 I333 N339 L340	L332-F336 HydrophobicContact CD1-CD2 3.95Å; L332-F336 HydrophobicContact CD1-CE2 3.58Å; L332-F336 HydrophobicContact CD1-CZ 4.45Å; L332-F336 HydrophobicContact CD2-CE2 4.29Å; L332-F336 HydrophobicContact CG-CD2 3.91Å; L332-F336 HydrophobicContact CG-CE2 3.74Å; L332-F336 VanDerWaalsContact O-CD2 3.23Å; L332-F336 WeakPolarHBondContact O-CD2 3.48Å; L332-F336 PolarHBondContact O-N 2.9Å; I333-F336 PolarHBondContact O-N 3.41Å; F336-N339 PolarHBondContact O-N 2.88Å; F336-L340 WeakPolarHBondContact O-CB 3.4Å; F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.44Å; F336-L340 PolarHBondContact O-N 3.05Å
337	M	90	Very high	86.4	Confident	90 Å²	90	87.1 Å²	87.1	44%	0.443	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-45.2	178	-71.2	-58.4	-64.4	0	0	111.5	I333 N339 L340 H341	I333-M337 HydrophobicContact CG2-CG 4.33Å; I333-M337 WeakPolarHBondContact O-CB 3.45Å; I333-M337 WeakPolarHBondContact O-CG 3.38Å; I333-M337 PolarHBondContact O-N 3.35Å; M337-N339 VanDerWaalsContact C-N 3.33Å; M337-N339 PolarHBondContact O-N 3.33Å; M337-L340 PolarHBondContact O-N 3.48Å; M337-L340 HydrophobicContact SD-CD1 4.38Å; M337-H341 PolarHBondContact O-CD2 3.37Å; M337-H341 PolarHBondContact O-N 2.91Å
338	R	91	Very high	86	Confident	146 Å²	146	89.6 Å²	89.6	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-60.3	-41.2	173.7	-76.3	-174.8	-72.3	-93.9	5.9	112.2	D334 S335 S342	D334-R338 WeakPolarHBondContact O-CB 3.33Å; D334-R338 WeakPolarHBondContact O-CG 3.27Å; D334-R338 PolarHBondContact O-N 2.69Å; D334-R338 PolarHBondContact O-NE 3.4Å; D334-R338 IonicContact OD2-CZ 2.68Å; D334-R338 IonicContact OD2-NH1 2.74Å; D334-R338 PolarHBondContact OD2-NH1 2.91Å; D334-R338 IonicContact OD2-NH2 2.75Å; S335-R338 PolarHBondContact O-N 3.34Å; R338-S342 WeakPolarHBondContact O-CB 3.33Å; R338-S342 PolarHBondContact O-N 3.49Å
339	N	86.9	Confident	85.8	Confident	86 Å²	86	90.8 Å²	90.8	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-42.9	177.5	-165.6	14.7	0	0	0	111.8	S335 F336 M337 S342 I343	S335-N339 VanDerWaalsContact O-CB 3.31Å; S335-N339 WeakPolarHBondContact O-CB 3.19Å; S335-N339 PolarHBondContact O-N 2.93Å; F336-N339 PolarHBondContact O-N 2.88Å; M337-N339 VanDerWaalsContact C-N 3.33Å; M337-N339 PolarHBondContact O-N 3.33Å; N339-S342 WeakPolarHBondContact O-CB 3.28Å; N339-S342 PolarHBondContact O-N 3.4Å; N339-I343 WeakPolarHBondContact O-CB 3.49Å; N339-I343 VanDerWaalsContact O-CG1 3.3Å; N339-I343 WeakPolarHBondContact O-CG1 3.47Å; N339-I343 PolarHBondContact O-N 3.26Å; N339-I343 WeakPolarHBondContact OD1-CD1 3.43Å
340	L	86	Confident	85.8	Confident	95 Å²	95	90.7 Å²	90.7	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-47.4	173.4	-75.9	169.3	0	0	0	111.5	F336 M337 S342 I343 T344	F336-L340 WeakPolarHBondContact O-CB 3.4Å; F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.44Å; F336-L340 PolarHBondContact O-N 3.05Å; M337-L340 PolarHBondContact O-N 3.48Å; M337-L340 HydrophobicContact SD-CD1 4.38Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 3.06Å; L340-I343 PolarHBondContact O-N 3.1Å; L340-T344 VanDerWaalsContact O-CB 3.3Å; L340-T344 WeakPolarHBondContact O-CB 3.49Å; L340-T344 PolarHBondContact O-N 2.88Å; L340-T344 PolarHBondContact O-OG1 3.06Å
341	H	85.1	Confident	85.5	Confident	131 Å²	131	92.4 Å²	92.4	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-62.2	-37	175.7	-77.2	-64.7	0	0	0	112.7	M337 G345	M337-H341 PolarHBondContact O-CD2 3.37Å; M337-H341 PolarHBondContact O-N 2.91Å; H341-G345 PolarHBondContact O-N 2.72Å
342	S	89.3	Confident	85.1	Confident	73 Å²	73	94 Å²	94	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-47.8	174.4	-174.6	0	0	0	0	112.4	R338 N339 L340 G345 T346	R338-S342 WeakPolarHBondContact O-CB 3.33Å; R338-S342 PolarHBondContact O-N 3.49Å; N339-S342 WeakPolarHBondContact O-CB 3.28Å; N339-S342 PolarHBondContact O-N 3.4Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 3.06Å; S342-G345 PolarHBondContact O-N 3.01Å; S342-T346 WeakPolarHBondContact O-CB 3.46Å; S342-T346 PolarHBondContact O-N 3.42Å; S342-T346 PolarHBondContact O-OG1 3.21Å
343	I	85.6	Confident	85.1	Confident	89 Å²	89	92.8 Å²	92.8	46%	0.456	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-46.8	177.6	-68.2	166	0	0	0	110.4	N339 L340 T346 L347	N339-I343 WeakPolarHBondContact O-CB 3.49Å; N339-I343 VanDerWaalsContact O-CG1 3.3Å; N339-I343 WeakPolarHBondContact O-CG1 3.47Å; N339-I343 PolarHBondContact O-N 3.26Å; N339-I343 WeakPolarHBondContact OD1-CD1 3.43Å; L340-I343 PolarHBondContact O-N 3.1Å; I343-T346 PolarHBondContact O-N 3Å; I343-L347 WeakPolarHBondContact O-CB 3.36Å; I343-L347 PolarHBondContact O-N 3.11Å
344	T	83.2	Confident	85	Confident	69 Å²	69	90.8 Å²	90.8	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.8	-61.2	0	0	0	0	111.6	L340 L347 M348	L340-T344 VanDerWaalsContact O-CB 3.3Å; L340-T344 WeakPolarHBondContact O-CB 3.49Å; L340-T344 PolarHBondContact O-N 2.88Å; L340-T344 PolarHBondContact O-OG1 3.06Å; T344-L347 PolarHBondContact O-N 2.8Å; T344-M348 HydrophobicContact CG2-CE 4.46Å; T344-M348 HydrophobicContact CG2-CG 4.18Å; T344-M348 VanDerWaalsContact O-CB 3.31Å; T344-M348 WeakPolarHBondContact O-CB 3.15Å; T344-M348 WeakPolarHBondContact O-CG 3.34Å; T344-M348 PolarHBondContact O-N 3.49Å
345	G	83.4	Confident	84.6	Confident	37 Å²	37	89.1 Å²	89.1	38%	0.381	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-50.9	173.9	0	0	0	0	0	111.7	H341 S342 L347 M348 T349	H341-G345 PolarHBondContact O-N 2.72Å; S342-G345 PolarHBondContact O-N 3.01Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 3.27Å; G345-M348 CarbonylContact O-C 3.6Å; G345-M348 PolarHBondContact O-N 3.06Å; G345-T349 PolarHBondContact O-N 3.26Å; G345-T349 PolarHBondContact O-OG1 2.93Å
346	T	83.4	Confident	84.4	Confident	90 Å²	90	87.8 Å²	87.8	55%	0.552	47%	0.474	S	S	*	.	H	α-helix	trans	-58.4	-44.2	177.4	-54.1	0	0	0	0	111.7	S342 I343 T349 D350	S342-T346 WeakPolarHBondContact O-CB 3.46Å; S342-T346 PolarHBondContact O-N 3.42Å; S342-T346 PolarHBondContact O-OG1 3.21Å; I343-T346 PolarHBondContact O-N 3Å; T346-T349 WeakPolarHBondContact CA-OG1 3.25Å; T346-T349 PolarHBondContact O-N 3.21Å; T346-T349 PolarHBondContact O-OG1 2.92Å; T346-D350 PolarHBondContact O-N 3.3Å
347	L	76.8	Confident	84.4	Confident	69 Å²	69	84.8 Å²	84.8	36%	0.361	47%	0.466	S	S	.	.	H	α-helix	trans	-70	-31.6	-179.7	-170.3	63.7	0	0	0	112.6	I343 T344 G345 D350 F353	I343-L347 WeakPolarHBondContact O-CB 3.36Å; I343-L347 PolarHBondContact O-N 3.11Å; T344-L347 PolarHBondContact O-N 2.8Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 3.27Å; L347-D350 PolarHBondContact O-N 3.47Å; L347-F353 HydrophobicContact CD1-CB 4.1Å; L347-F353 HydrophobicContact CD1-CD1 3.99Å; L347-F353 HydrophobicContact CD1-CD2 3.61Å; L347-F353 HydrophobicContact CD1-CE1 4.32Å; L347-F353 HydrophobicContact CD1-CE2 3.97Å; L347-F353 HydrophobicContact CD1-CG 3.6Å; L347-F353 HydrophobicContact CD1-CZ 4.31Å; L347-F353 HydrophobicContact CD2-CD1 4.36Å; L347-F353 HydrophobicContact CD2-CD2 4.36Å; L347-F353 HydrophobicContact CD2-CE1 3.87Å; L347-F353 HydrophobicContact CD2-CE2 3.87Å; L347-F353 HydrophobicContact CD2-CZ 3.6Å; L347-F353 HydrophobicContact CG-CD1 3.62Å; L347-F353 HydrophobicContact CG-CD2 3.98Å; L347-F353 HydrophobicContact CG-CE1 3.62Å; L347-F353 HydrophobicContact CG-CE2 3.98Å; L347-F353 HydrophobicContact CG-CG 3.79Å; L347-F353 HydrophobicContact CG-CZ 3.8Å; L347-F353 VanDerWaalsContact O-CD1 3.25Å; L347-F353 WeakPolarHBondContact O-CD1 3.47Å
348	M	77.1	Confident	84	Confident	114 Å²	114	88.1 Å²	88.1	56%	0.562	48%	0.478	S	S	*	.	H	α-helix	trans	-79.7	-14.5	172.1	-66.8	-66.7	179.8	0	0	113.2	T344 G345 F353 V354	T344-M348 HydrophobicContact CG2-CE 4.46Å; T344-M348 HydrophobicContact CG2-CG 4.18Å; T344-M348 VanDerWaalsContact O-CB 3.31Å; T344-M348 WeakPolarHBondContact O-CB 3.15Å; T344-M348 WeakPolarHBondContact O-CG 3.34Å; T344-M348 PolarHBondContact O-N 3.49Å; G345-M348 CarbonylContact O-C 3.6Å; G345-M348 PolarHBondContact O-N 3.06Å; M348-F353 HydrophobicContact SD-CE1 4.49Å; M348-V354 VanDerWaalsContact O-CG2 3.3Å; M348-V354 WeakPolarHBondContact O-CG2 3.25Å; M348-V354 HydrophobicContact SD-CG2 4.16Å
349	T	82.3	Confident	83.6	Confident	111 Å²	111	88.3 Å²	88.3	68%	0.681	48%	0.479	S	S	*	.	H	α-helix	trans	-83.6	-12.5	166.2	54.6	0	0	0	0	113.7	G345 T346 T351	G345-T349 PolarHBondContact O-N 3.26Å; G345-T349 PolarHBondContact O-OG1 2.93Å; T346-T349 WeakPolarHBondContact CA-OG1 3.25Å; T346-T349 PolarHBondContact O-N 3.21Å; T346-T349 PolarHBondContact O-OG1 2.92Å; T349-T351 PolarHBondContact O-N 3.38Å
350	D	87.4	Confident	83.4	Confident	75 Å²	75	88.5 Å²	88.5	40%	0.401	48%	0.483	S	S	.	.			trans	-77.7	103	171	-179.8	-4.1	0	0	0	110.6	T346 L347 Q352 F353 V354	T346-D350 PolarHBondContact O-N 3.3Å; L347-D350 PolarHBondContact O-N 3.47Å; D350-Q352 PolarHBondContact O-N 3.34Å; D350-Q352 VanDerWaalsContact O-N 3.17Å; D350-Q352 WeakPolarHBondContact OD1-CA 3.48Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.27Å; D350-Q352 PolarHBondContact OD1-N 2.62Å; D350-F353 HydrophobicContact CB-CB 3.94Å; D350-F353 PolarHBondContact O-N 2.86Å; D350-F353 VanDerWaalsContact O-N 3.14Å; D350-F353 PolarHBondContact OD1-N 3.23Å; D350-V354 WeakPolarHBondContact O-CG2 3.46Å; D350-V354 PolarHBondContact O-N 2.76Å
351	T	82.3	Confident	83.3	Confident	103 Å²	103	88.7 Å²	88.7	63%	0.632	49%	0.488	S	S	*	.	H	α-helix	trans	-54.7	-31.3	176.9	-45.1	0	0	0	0	113.3	T349 S355	T349-T351 PolarHBondContact O-N 3.38Å; T351-S355 WeakPolarHBondContact O-CB 3.4Å; T351-S355 PolarHBondContact O-N 2.86Å; T351-S355 PolarHBondContact O-OG 3.29Å
352	Q	83	Confident	83.2	Confident	138 Å²	138	89.6 Å²	89.6	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-75.5	-43.5	177.8	-61.9	-59.6	-28	0	0	111.3	D350 S355 A356	D350-Q352 PolarHBondContact O-N 3.34Å; D350-Q352 VanDerWaalsContact O-N 3.17Å; D350-Q352 WeakPolarHBondContact OD1-CA 3.48Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.27Å; D350-Q352 PolarHBondContact OD1-N 2.62Å; Q352-S355 PolarHBondContact O-N 3.12Å; Q352-A356 WeakPolarHBondContact O-CB 3.17Å; Q352-A356 PolarHBondContact O-N 3.08Å
353	F	84.9	Confident	82.9	Confident	68 Å²	68	89.9 Å²	89.9	30%	0.298	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-52	172.9	176.7	-93.9	0	0	0	111.3	L347 M348 D350 S355 A356 V357	L347-F353 HydrophobicContact CD1-CB 4.1Å; L347-F353 HydrophobicContact CD1-CD1 3.99Å; L347-F353 HydrophobicContact CD1-CD2 3.61Å; L347-F353 HydrophobicContact CD1-CE1 4.32Å; L347-F353 HydrophobicContact CD1-CE2 3.97Å; L347-F353 HydrophobicContact CD1-CG 3.6Å; L347-F353 HydrophobicContact CD1-CZ 4.31Å; L347-F353 HydrophobicContact CD2-CD1 4.36Å; L347-F353 HydrophobicContact CD2-CD2 4.36Å; L347-F353 HydrophobicContact CD2-CE1 3.87Å; L347-F353 HydrophobicContact CD2-CE2 3.87Å; L347-F353 HydrophobicContact CD2-CZ 3.6Å; L347-F353 HydrophobicContact CG-CD1 3.62Å; L347-F353 HydrophobicContact CG-CD2 3.98Å; L347-F353 HydrophobicContact CG-CE1 3.62Å; L347-F353 HydrophobicContact CG-CE2 3.98Å; L347-F353 HydrophobicContact CG-CG 3.79Å; L347-F353 HydrophobicContact CG-CZ 3.8Å; L347-F353 VanDerWaalsContact O-CD1 3.25Å; L347-F353 WeakPolarHBondContact O-CD1 3.47Å; M348-F353 HydrophobicContact SD-CE1 4.49Å; D350-F353 HydrophobicContact CB-CB 3.94Å; D350-F353 PolarHBondContact O-N 2.86Å; D350-F353 VanDerWaalsContact O-N 3.14Å; D350-F353 PolarHBondContact OD1-N 3.23Å; F353-S355 VanDerWaalsContact C-N 3.28Å; F353-S355 PolarHBondContact O-N 3.22Å; F353-A356 WeakPolarHBondContact O-CB 3.27Å; F353-A356 PolarHBondContact O-N 3.36Å; F353-V357 HydrophobicContact CD1-CG2 4.08Å; F353-V357 HydrophobicContact CD2-CG2 4.38Å; F353-V357 HydrophobicContact CE1-CG2 3.55Å; F353-V357 HydrophobicContact CE2-CG2 3.89Å; F353-V357 HydrophobicContact CG-CG2 4.48Å; F353-V357 HydrophobicContact CZ-CG2 3.45Å; F353-V357 VanDerWaalsContact CZ-CG2 3.45Å; F353-V357 PolarHBondContact O-N 2.91Å
354	V	83.1	Confident	82.8	Confident	52 Å²	52	92.3 Å²	92.3	32%	0.315	50%	0.498	S	S	.	.	H	α-helix	trans	-60.3	-39.5	179.2	174.9	0	0	0	0	111.1	M348 D350 V357 K358	M348-V354 VanDerWaalsContact O-CG2 3.3Å; M348-V354 WeakPolarHBondContact O-CG2 3.25Å; M348-V354 HydrophobicContact SD-CG2 4.16Å; D350-V354 WeakPolarHBondContact O-CG2 3.46Å; D350-V354 PolarHBondContact O-N 2.76Å; V354-V357 PolarHBondContact O-N 3.45Å; V354-K358 WeakPolarHBondContact O-CB 3.3Å; V354-K358 PolarHBondContact O-N 2.89Å
355	S	81.9	Confident	82.5	Confident	47 Å²	47	91 Å²	91	33%	0.329	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-37.4	174.3	-64.4	0	0	0	0	112.8	T351 Q352 F353 R359	T351-S355 WeakPolarHBondContact O-CB 3.4Å; T351-S355 PolarHBondContact O-N 2.86Å; T351-S355 PolarHBondContact O-OG 3.29Å; Q352-S355 PolarHBondContact O-N 3.12Å; F353-S355 VanDerWaalsContact C-N 3.28Å; F353-S355 PolarHBondContact O-N 3.22Å; S355-R359 WeakPolarHBondContact O-CB 3.45Å; S355-R359 PolarHBondContact O-N 3.41Å
356	A	85.2	Confident	82.3	Confident	38 Å²	38	91.8 Å²	91.8	31%	0.314	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-42.6	176.5	0	0	0	0	0	112.1	Q352 F353 R359 T360	Q352-A356 WeakPolarHBondContact O-CB 3.17Å; Q352-A356 PolarHBondContact O-N 3.08Å; F353-A356 WeakPolarHBondContact O-CB 3.27Å; F353-A356 PolarHBondContact O-N 3.36Å; A356-R359 PolarHBondContact O-N 2.94Å; A356-T360 WeakPolarHBondContact O-CB 3.39Å; A356-T360 PolarHBondContact O-N 2.84Å; A356-T360 PolarHBondContact O-OG1 2.81Å
357	V	83.7	Confident	82.5	Confident	60 Å²	60	92.6 Å²	92.6	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-50.8	174.2	173.9	0	0	0	0	110.4	F353 V354 R359 T360 V361	F353-V357 HydrophobicContact CD1-CG2 4.08Å; F353-V357 HydrophobicContact CD2-CG2 4.38Å; F353-V357 HydrophobicContact CE1-CG2 3.55Å; F353-V357 HydrophobicContact CE2-CG2 3.89Å; F353-V357 HydrophobicContact CG-CG2 4.48Å; F353-V357 HydrophobicContact CZ-CG2 3.45Å; F353-V357 VanDerWaalsContact CZ-CG2 3.45Å; F353-V357 PolarHBondContact O-N 2.91Å; V354-V357 PolarHBondContact O-N 3.45Å; V357-R359 VanDerWaalsContact C-N 3.3Å; V357-R359 PolarHBondContact O-N 3.1Å; V357-T360 PolarHBondContact O-N 3.14Å; V357-T360 VanDerWaalsContact O-N 3.12Å; V357-V361 HydrophobicContact CG1-CG2 4.14Å; V357-V361 WeakPolarHBondContact O-CB 3.44Å; V357-V361 WeakPolarHBondContact O-CG2 3.34Å; V357-V361 PolarHBondContact O-N 2.87Å
358	K	82.1	Confident	82.9	Confident	160 Å²	160	94.4 Å²	94.4	70%	0.696	50%	0.5	S	S	*	.	H	α-helix	trans	-56.7	-43.3	177.8	-175.1	174.4	-179	176.4	0	111.6	V354 F362	V354-K358 WeakPolarHBondContact O-CB 3.3Å; V354-K358 PolarHBondContact O-N 2.89Å; K358-F362 WeakPolarHBondContact O-CB 3.5Å; K358-F362 PolarHBondContact O-N 3.48Å
359	R	82.4	Confident	83.2	Confident	150 Å²	150	91.2 Å²	91.2	57%	0.566	49%	0.492	S	S	*	.	H	α-helix	trans	-61.4	-48.2	175	-171.1	-175.3	-58.9	111.7	0.4	111.6	S355 A356 V357 F362 T363	S355-R359 WeakPolarHBondContact O-CB 3.45Å; S355-R359 PolarHBondContact O-N 3.41Å; A356-R359 PolarHBondContact O-N 2.94Å; V357-R359 VanDerWaalsContact C-N 3.3Å; V357-R359 PolarHBondContact O-N 3.1Å; R359-F362 PolarHBondContact O-N 3.46Å; R359-T363 WeakPolarHBondContact O-CG2 3.46Å; R359-T363 PolarHBondContact O-N 3.33Å; R359-T363 PolarHBondContact O-OG1 2.88Å; R359-T363 VanDerWaalsContact O-OG1 3.09Å
360	T	83.9	Confident	83.5	Confident	89 Å²	89	87.9 Å²	87.9	55%	0.546	48%	0.476	S	S	.	.	H	α-helix	trans	-67.9	-41.7	-176.7	-53	0	0	0	0	112.7	A356 V357 T363 H364	A356-T360 WeakPolarHBondContact O-CB 3.39Å; A356-T360 PolarHBondContact O-N 2.84Å; A356-T360 PolarHBondContact O-OG1 2.81Å; V357-T360 PolarHBondContact O-N 3.14Å; V357-T360 VanDerWaalsContact O-N 3.12Å; T360-T363 PolarHBondContact O-OG1 3.23Å; T360-H364 WeakPolarHBondContact O-CB 3.45Å; T360-H364 PolarHBondContact O-N 3.37Å
361	V	82.3	Confident	83.5	Confident	100 Å²	100	88.3 Å²	88.3	61%	0.606	48%	0.478	S	S	*	.	H	α-helix	trans	-66.2	-41.8	175.1	173.6	0	0	0	0	110.4	V357 G365	V357-V361 HydrophobicContact CG1-CG2 4.14Å; V357-V361 WeakPolarHBondContact O-CB 3.44Å; V357-V361 WeakPolarHBondContact O-CG2 3.34Å; V357-V361 PolarHBondContact O-N 2.87Å; V361-G365 PolarHBondContact O-N 3.04Å
362	F	83.9	Confident	83.7	Confident	150 Å²	150	88.4 Å²	88.4	66%	0.658	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-44.3	177.4	-177.2	-98.1	0	0	0	112.7	K358 R359 S366	K358-F362 WeakPolarHBondContact O-CB 3.5Å; K358-F362 PolarHBondContact O-N 3.48Å; R359-F362 PolarHBondContact O-N 3.46Å; F362-S366 VanDerWaalsContact O-CB 3.28Å; F362-S366 WeakPolarHBondContact O-CB 3.36Å; F362-S366 PolarHBondContact O-N 2.7Å; F362-S366 PolarHBondContact O-OG 2.87Å
363	T	82.6	Confident	83.9	Confident	78 Å²	78	87.7 Å²	87.7	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-40.4	178.2	52.3	0	0	0	0	112.5	R359 T360 S366 Q367	R359-T363 WeakPolarHBondContact O-CG2 3.46Å; R359-T363 PolarHBondContact O-N 3.33Å; R359-T363 PolarHBondContact O-OG1 2.88Å; R359-T363 VanDerWaalsContact O-OG1 3.09Å; T360-T363 PolarHBondContact O-OG1 3.23Å; T363-S366 PolarHBondContact O-OG 3.42Å; T363-Q367 VanDerWaalsContact O-CB 3.27Å; T363-Q367 WeakPolarHBondContact O-CB 3.27Å; T363-Q367 PolarHBondContact O-N 2.84Å
364	H	83.8	Confident	84.1	Confident	141 Å²	141	87.5 Å²	87.5	65%	0.653	47%	0.474	S	S	*	.	H	α-helix	trans	-70.4	-37.6	177.4	-166.9	68.6	0	0	0	112.5	T360 K368	T360-H364 WeakPolarHBondContact O-CB 3.45Å; T360-H364 PolarHBondContact O-N 3.37Å; H364-K368 WeakPolarHBondContact NE2-CE 3.29Å; H364-K368 PolarHBondContact NE2-NZ 3.45Å; H364-K368 VanDerWaalsContact NE2-NZ 3.15Å; H364-K368 PolarHBondContact O-N 2.87Å; H364-K368 VanDerWaalsContact O-N 3.13Å
365	G	77.4	Confident	84.5	Confident	40 Å²	40	87.8 Å²	87.8	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-45.2	175	0	0	0	0	0	112.7	V361 K368 A369	V361-G365 PolarHBondContact O-N 3.04Å; G365-K368 PolarHBondContact O-N 3.43Å; G365-A369 WeakPolarHBondContact O-CB 3.28Å; G365-A369 PolarHBondContact O-N 3.29Å
366	S	79.4	Confident	84.8	Confident	54 Å²	54	91.6 Å²	91.6	38%	0.378	50%	0.496	S	S	.	.	H	α-helix	trans	-70.4	-35.3	178.7	64.3	0	0	0	0	112.7	F362 T363 A369 A370	F362-S366 VanDerWaalsContact O-CB 3.28Å; F362-S366 WeakPolarHBondContact O-CB 3.36Å; F362-S366 PolarHBondContact O-N 2.7Å; F362-S366 PolarHBondContact O-OG 2.87Å; T363-S366 PolarHBondContact O-OG 3.42Å; S366-A369 PolarHBondContact O-N 3.06Å; S366-A370 WeakPolarHBondContact O-CB 3.49Å; S366-A370 PolarHBondContact O-N 2.63Å
367	Q	87.8	Confident	84.8	Confident	108 Å²	108	95.1 Å²	95.1	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-51.7	171.1	-175.4	61.7	54.4	0	0	110.9	T363 A369 A370 D371	T363-Q367 VanDerWaalsContact O-CB 3.27Å; T363-Q367 WeakPolarHBondContact O-CB 3.27Å; T363-Q367 PolarHBondContact O-N 2.84Å; Q367-A369 VanDerWaalsContact C-N 3.29Å; Q367-A369 PolarHBondContact O-N 2.88Å; Q367-A370 CarbonylContact O-C 3.59Å; Q367-A370 WeakPolarHBondContact O-CA 3.39Å; Q367-A370 WeakPolarHBondContact O-CB 3.41Å; Q367-A370 PolarHBondContact O-N 3.02Å; Q367-D371 PolarHBondContact NE2-OD1 3.49Å; Q367-D371 PolarHBondContact O-N 3.17Å
368	K	84.7	Confident	84.9	Confident	106 Å²	106	100.1 Å²	100.1	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-35.7	177.8	-77.7	-174.3	170.5	-173.8	0	113.1	H364 G365 D371 I372	H364-K368 WeakPolarHBondContact NE2-CE 3.29Å; H364-K368 PolarHBondContact NE2-NZ 3.45Å; H364-K368 VanDerWaalsContact NE2-NZ 3.15Å; H364-K368 PolarHBondContact O-N 2.87Å; H364-K368 VanDerWaalsContact O-N 3.13Å; G365-K368 PolarHBondContact O-N 3.43Å; K368-D371 PolarHBondContact O-N 3.26Å; K368-I372 WeakPolarHBondContact O-CB 3.34Å; K368-I372 WeakPolarHBondContact O-CD1 3.49Å; K368-I372 VanDerWaalsContact O-CG1 3.23Å; K368-I372 WeakPolarHBondContact O-CG1 3.39Å; K368-I372 PolarHBondContact O-N 2.96Å
369	A	82.8	Confident	84.8	Confident	47 Å²	47	99.8 Å²	99.8	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-40.6	172.8	0	0	0	0	0	111.9	G365 S366 Q367 I372 M373	G365-A369 WeakPolarHBondContact O-CB 3.28Å; G365-A369 PolarHBondContact O-N 3.29Å; S366-A369 PolarHBondContact O-N 3.06Å; Q367-A369 VanDerWaalsContact C-N 3.29Å; Q367-A369 PolarHBondContact O-N 2.88Å; A369-I372 PolarHBondContact O-N 3.28Å; A369-M373 WeakPolarHBondContact O-CB 3.35Å; A369-M373 WeakPolarHBondContact O-CG 3.5Å; A369-M373 PolarHBondContact O-N 3.11Å
370	A	88.3	Confident	84.7	Confident	42 Å²	42	97.1 Å²	97.1	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-43	174.3	0	0	0	0	0	112.2	S366 Q367 I372 M373 D374	S366-A370 WeakPolarHBondContact O-CB 3.49Å; S366-A370 PolarHBondContact O-N 2.63Å; Q367-A370 CarbonylContact O-C 3.59Å; Q367-A370 WeakPolarHBondContact O-CA 3.39Å; Q367-A370 WeakPolarHBondContact O-CB 3.41Å; Q367-A370 PolarHBondContact O-N 3.02Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 2.8Å; A370-M373 PolarHBondContact O-N 3.3Å; A370-D374 WeakPolarHBondContact O-CB 3.25Å; A370-D374 PolarHBondContact O-N 3.26Å
371	D	87.5	Confident	84.6	Confident	83 Å²	83	99.6 Å²	99.6	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-41	176.9	-57	-30.3	0	0	0	111.4	Q367 K368 A375	Q367-D371 PolarHBondContact NE2-OD1 3.49Å; Q367-D371 PolarHBondContact O-N 3.17Å; K368-D371 PolarHBondContact O-N 3.26Å; D371-A375 WeakPolarHBondContact O-CB 3.48Å; D371-A375 PolarHBondContact O-N 2.89Å
372	I	86.9	Confident	84.5	Confident	105 Å²	105	99 Å²	99	54%	0.538	51%	0.51	S	S	.	.	H	α-helix	trans	-65.8	-46.2	174.6	-69.8	164.4	0	0	0	111	K368 A369 A370 D374 A375 M376	K368-I372 WeakPolarHBondContact O-CB 3.34Å; K368-I372 WeakPolarHBondContact O-CD1 3.49Å; K368-I372 VanDerWaalsContact O-CG1 3.23Å; K368-I372 WeakPolarHBondContact O-CG1 3.39Å; K368-I372 PolarHBondContact O-N 2.96Å; A369-I372 PolarHBondContact O-N 3.28Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 2.8Å; I372-D374 VanDerWaalsContact C-N 3.35Å; I372-D374 PolarHBondContact O-N 3.08Å; I372-A375 PolarHBondContact O-N 3.18Å; I372-M376 HydrophobicContact CG2-SD 4.03Å; I372-M376 WeakPolarHBondContact O-CB 3.28Å; I372-M376 VanDerWaalsContact O-CG 3.32Å; I372-M376 WeakPolarHBondContact O-CG 3.4Å; I372-M376 PolarHBondContact O-N 3.02Å
373	M	88	Confident	84	Confident	123 Å²	123	97.1 Å²	97.1	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-41	178.1	-75.7	-173.6	-66.6	0	0	112	A369 A370 M376 L377	A369-M373 WeakPolarHBondContact O-CB 3.35Å; A369-M373 WeakPolarHBondContact O-CG 3.5Å; A369-M373 PolarHBondContact O-N 3.11Å; A370-M373 PolarHBondContact O-N 3.3Å; M373-M376 PolarHBondContact O-N 3.36Å; M373-L377 VanDerWaalsContact O-CB 3.31Å; M373-L377 WeakPolarHBondContact O-CB 3.37Å; M373-L377 PolarHBondContact O-N 2.8Å
374	D	89.3	Confident	83.2	Confident	65 Å²	65	99.1 Å²	99.1	35%	0.348	52%	0.516	S	S	.	.	H	α-helix	trans	-68.2	-41.1	176	-176.7	62.2	0	0	0	111.8	A370 I372 M376 L377 R378	A370-D374 WeakPolarHBondContact O-CB 3.25Å; A370-D374 PolarHBondContact O-N 3.26Å; I372-D374 VanDerWaalsContact C-N 3.35Å; I372-D374 PolarHBondContact O-N 3.08Å; D374-M376 VanDerWaalsContact C-N 3.33Å; D374-M376 PolarHBondContact O-N 3.31Å; D374-L377 PolarHBondContact O-N 2.74Å; D374-R378 WeakPolarHBondContact O-CB 3.38Å; D374-R378 WeakPolarHBondContact O-CG 3.18Å; D374-R378 PolarHBondContact O-N 2.63Å; D374-R378 IonicContact OD1-NE 2.92Å; D374-R378 IonicContact OD2-CZ 2.6Å; D374-R378 IonicContact OD2-NE 2.91Å; D374-R378 PolarHBondContact OD2-NE 2.75Å; D374-R378 IonicContact OD2-NH2 2.63Å; D374-R378 PolarHBondContact OD2-NH2 2.83Å
375	A	90.3	Very high	82.2	Confident	58 Å²	58	98.7 Å²	98.7	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-41.2	172.8	0	0	0	0	0	112.4	D371 I372 K379	D371-A375 WeakPolarHBondContact O-CB 3.48Å; D371-A375 PolarHBondContact O-N 2.89Å; I372-A375 PolarHBondContact O-N 3.18Å; A375-K379 WeakPolarHBondContact O-CB 3.36Å; A375-K379 PolarHBondContact O-N 3.32Å
376	M	87.9	Confident	81.3	Confident	127 Å²	127	102.1 Å²	102.1	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-63.9	-43.3	172.7	-72.3	175.3	67.1	0	0	111.7	I372 M373 D374 K379 L380	I372-M376 HydrophobicContact CG2-SD 4.03Å; I372-M376 WeakPolarHBondContact O-CB 3.28Å; I372-M376 VanDerWaalsContact O-CG 3.32Å; I372-M376 WeakPolarHBondContact O-CG 3.4Å; I372-M376 PolarHBondContact O-N 3.02Å; M373-M376 PolarHBondContact O-N 3.36Å; D374-M376 VanDerWaalsContact C-N 3.33Å; D374-M376 PolarHBondContact O-N 3.31Å; M376-K379 PolarHBondContact O-N 3.24Å; M376-L380 WeakPolarHBondContact O-CB 3.44Å; M376-L380 PolarHBondContact O-N 3.21Å
377	L	86.8	Confident	79.8	Confident	112 Å²	112	108.4 Å²	108.4	59%	0.586	55%	0.545	S	S	*	.	H	α-helix	trans	-68.4	-40.4	-179	-164.3	70.1	0	0	0	112	M373 D374 L380 Y381	M373-L377 VanDerWaalsContact O-CB 3.31Å; M373-L377 WeakPolarHBondContact O-CB 3.37Å; M373-L377 PolarHBondContact O-N 2.8Å; D374-L377 PolarHBondContact O-N 2.74Å; L377-L380 PolarHBondContact O-N 3.32Å; L377-Y381 VanDerWaalsContact O-CB 3.28Å; L377-Y381 WeakPolarHBondContact O-CB 3.21Å; L377-Y381 PolarHBondContact O-N 2.78Å
378	R	84.3	Confident	77.7	Confident	164 Å²	164	112.5 Å²	112.5	62%	0.619	56%	0.561	S	S	*	*	H	α-helix	trans	-62.6	-40.6	170.7	-69	-174.3	-152	-172.1	11.7	111.8	D374 Y381 N382	D374-R378 WeakPolarHBondContact O-CB 3.38Å; D374-R378 WeakPolarHBondContact O-CG 3.18Å; D374-R378 PolarHBondContact O-N 2.63Å; D374-R378 IonicContact OD1-NE 2.92Å; D374-R378 IonicContact OD2-CZ 2.6Å; D374-R378 IonicContact OD2-NE 2.91Å; D374-R378 PolarHBondContact OD2-NE 2.75Å; D374-R378 IonicContact OD2-NH2 2.63Å; D374-R378 PolarHBondContact OD2-NH2 2.83Å; R378-Y381 PolarHBondContact O-N 3.09Å; R378-N382 WeakPolarHBondContact O-CB 3.47Å; R378-N382 VanDerWaalsContact O-CG 3.24Å; R378-N382 PolarHBondContact O-N 2.87Å
379	K	81.7	Confident	75.2	Confident	154 Å²	154	113.7 Å²	113.7	67%	0.67	58%	0.577	S	S	*	*	H	α-helix	trans	-66.7	-41.8	177.5	-167	173.8	-176.4	179.3	0	111.4	A375 M376 N382 V383	A375-K379 WeakPolarHBondContact O-CB 3.36Å; A375-K379 PolarHBondContact O-N 3.32Å; M376-K379 PolarHBondContact O-N 3.24Å; K379-N382 PolarHBondContact O-N 3.44Å; K379-V383 WeakPolarHBondContact O-CG2 3.41Å; K379-V383 PolarHBondContact O-N 3.21Å
380	L	78.5	Confident	73	Confident	93 Å²	93	115.9 Å²	115.9	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-63.2	-46.4	173.5	-176.3	65	0	0	0	111.4	M376 L377 N382 V383 M384	M376-L380 WeakPolarHBondContact O-CB 3.44Å; M376-L380 PolarHBondContact O-N 3.21Å; L377-L380 PolarHBondContact O-N 3.32Å; L380-N382 VanDerWaalsContact C-N 3.34Å; L380-N382 PolarHBondContact O-N 2.93Å; L380-V383 PolarHBondContact O-N 3.39Å; L380-M384 HydrophobicContact CD1-CG 4.25Å; L380-M384 HydrophobicContact CD1-SD 4.03Å; L380-M384 HydrophobicContact CD2-SD 4.36Å; L380-M384 HydrophobicContact CG-CG 4.4Å; L380-M384 HydrophobicContact CG-SD 3.84Å; L380-M384 WeakPolarHBondContact O-CB 3.36Å; L380-M384 WeakPolarHBondContact O-CG 3.41Å; L380-M384 PolarHBondContact O-N 3.47Å
381	Y	82.5	Confident	70.4	Confident	141 Å²	141	123 Å²	123	55%	0.553	61%	0.614	S	S	*	*	H	α-helix	trans	-56.7	-46.4	174.5	-178.6	-89.5	0	0	0	111.4	L377 R378 V383 M384 F385	L377-Y381 VanDerWaalsContact O-CB 3.28Å; L377-Y381 WeakPolarHBondContact O-CB 3.21Å; L377-Y381 PolarHBondContact O-N 2.78Å; R378-Y381 PolarHBondContact O-N 3.09Å; Y381-V383 PolarHBondContact O-N 2.98Å; Y381-M384 PolarHBondContact O-N 2.97Å; Y381-F385 HydrophobicContact CD1-CD2 4.36Å; Y381-F385 AromaticContact CD2-CD2 3.31Å; Y381-F385 HydrophobicContact CD2-CD2 3.31Å; Y381-F385 AromaticContact CD2-CE2 3.59Å; Y381-F385 HydrophobicContact CD2-CE2 3.59Å; Y381-F385 HydrophobicContact CD2-CG 4.32Å; Y381-F385 HydrophobicContact CE1-CB 4.39Å; Y381-F385 HydrophobicContact CE1-CD2 4.45Å; Y381-F385 AromaticContact CE2-CD2 3.42Å; Y381-F385 HydrophobicContact CE2-CD2 3.42Å; Y381-F385 VanDerWaalsContact CE2-CD2 3.42Å; Y381-F385 AromaticContact CE2-CE2 3.77Å; Y381-F385 HydrophobicContact CE2-CE2 3.77Å; Y381-F385 HydrophobicContact CE2-CG 4.05Å; Y381-F385 AromaticContact CG-CD2 3.81Å; Y381-F385 HydrophobicContact CG-CD2 3.81Å; Y381-F385 HydrophobicContact CG-CE2 4.42Å; Y381-F385 WeakPolarHBondContact O-CB 3.46Å; Y381-F385 VanDerWaalsContact O-CD2 3.31Å; Y381-F385 WeakPolarHBondContact O-CD2 3.13Å; Y381-F385 PolarHBondContact O-N 3.42Å
382	N	79.4	Confident	68.3	Low	88 Å²	88	126.4 Å²	126.4	47%	0.471	63%	0.627	S	S	.	*	H	α-helix	trans	-62.6	-41.5	177.1	-72.1	-11.4	0	0	0	112	R378 K379 L380 V386	R378-N382 WeakPolarHBondContact O-CB 3.47Å; R378-N382 VanDerWaalsContact O-CG 3.24Å; R378-N382 PolarHBondContact O-N 2.87Å; K379-N382 PolarHBondContact O-N 3.44Å; L380-N382 VanDerWaalsContact C-N 3.34Å; L380-N382 PolarHBondContact O-N 2.93Å; N382-V386 HydrophobicContact CB-CG2 4.32Å; N382-V386 WeakPolarHBondContact O-CA 3.47Å; N382-V386 WeakPolarHBondContact O-CB 3.08Å; N382-V386 WeakPolarHBondContact O-CG2 3.16Å; N382-V386 PolarHBondContact O-N 3.29Å
383	V	74.9	Confident	66.2	Low	111 Å²	111	127.6 Å²	127.6	67%	0.673	64%	0.638	S	S	*	*	H	α-helix	trans	-66.6	-37.2	176.4	169.6	0	0	0	0	112.5	K379 L380 Y381	K379-V383 WeakPolarHBondContact O-CG2 3.41Å; K379-V383 PolarHBondContact O-N 3.21Å; L380-V383 PolarHBondContact O-N 3.39Å; Y381-V383 PolarHBondContact O-N 2.98Å
384	M	65.1	Low	63.5	Low	120 Å²	120	133.6 Å²	133.6	59%	0.591	65%	0.654	S	S	*	*	H	α-helix	trans	-78.5	-37.3	-179.1	-70.4	179.8	71.7	0	0	113.5	L380 Y381	L380-M384 HydrophobicContact CD1-CG 4.25Å; L380-M384 HydrophobicContact CD1-SD 4.03Å; L380-M384 HydrophobicContact CD2-SD 4.36Å; L380-M384 HydrophobicContact CG-CG 4.4Å; L380-M384 HydrophobicContact CG-SD 3.84Å; L380-M384 WeakPolarHBondContact O-CB 3.36Å; L380-M384 WeakPolarHBondContact O-CG 3.41Å; L380-M384 PolarHBondContact O-N 3.47Å; Y381-M384 PolarHBondContact O-N 2.97Å
385	F	63.5	Low	61	Low	132 Å²	132	140.3 Å²	140.3	58%	0.579	68%	0.681	S	S	*	*	H	α-helix	trans	-109.4	-21.5	-170.3	-62.2	-76.1	0	0	0	114.3	Y381 K387	Y381-F385 HydrophobicContact CD1-CD2 4.36Å; Y381-F385 AromaticContact CD2-CD2 3.31Å; Y381-F385 HydrophobicContact CD2-CD2 3.31Å; Y381-F385 AromaticContact CD2-CE2 3.59Å; Y381-F385 HydrophobicContact CD2-CE2 3.59Å; Y381-F385 HydrophobicContact CD2-CG 4.32Å; Y381-F385 HydrophobicContact CE1-CB 4.39Å; Y381-F385 HydrophobicContact CE1-CD2 4.45Å; Y381-F385 AromaticContact CE2-CD2 3.42Å; Y381-F385 HydrophobicContact CE2-CD2 3.42Å; Y381-F385 VanDerWaalsContact CE2-CD2 3.42Å; Y381-F385 AromaticContact CE2-CE2 3.77Å; Y381-F385 HydrophobicContact CE2-CE2 3.77Å; Y381-F385 HydrophobicContact CE2-CG 4.05Å; Y381-F385 AromaticContact CG-CD2 3.81Å; Y381-F385 HydrophobicContact CG-CD2 3.81Å; Y381-F385 HydrophobicContact CG-CE2 4.42Å; Y381-F385 WeakPolarHBondContact O-CB 3.46Å; Y381-F385 VanDerWaalsContact O-CD2 3.31Å; Y381-F385 WeakPolarHBondContact O-CD2 3.13Å; Y381-F385 PolarHBondContact O-N 3.42Å; F385-K387 VanDerWaalsContact C-N 3.3Å; F385-K387 PolarHBondContact O-N 2.89Å; F385-K387 VanDerWaalsContact O-N 3.09Å
386	V	56.7	Low	58.6	Low	111 Å²	111	142.3 Å²	142.3	67%	0.673	70%	0.697	S	S	*	*			trans	-88.2	67.8	173.9	-168.4	0	0	0	0	110.6	N382	N382-V386 HydrophobicContact CB-CG2 4.32Å; N382-V386 WeakPolarHBondContact O-CA 3.47Å; N382-V386 WeakPolarHBondContact O-CB 3.08Å; N382-V386 WeakPolarHBondContact O-CG2 3.16Å; N382-V386 PolarHBondContact O-N 3.29Å
387	K	49.3	Very low	55.9	Low	186 Å²	186	144.6 Å²	144.6	81%	0.809	71%	0.706	S	S	*	*			trans	-134.8	60.1	168.7	-161.1	174	-176.5	174.1	0	113	F385	F385-K387 VanDerWaalsContact C-N 3.3Å; F385-K387 PolarHBondContact O-N 2.89Å; F385-K387 VanDerWaalsContact O-N 3.09Å
388	K	43.6	Very low	53.2	Low	194 Å²	194	147.4 Å²	147.4	84%	0.843	72%	0.722	S	S	*	*			trans	-170.5	82.1	157.8	-109.2	161	-172.2	176.5	0	115
389	V	32.7	Very low	51	Low	131 Å²	131	145.3 Å²	145.3	79%	0.794	73%	0.727	S	S	*	*			trans	-141.6	112.7	131.9	-178	0	0	0	0	107.3	E391	V389-E391 PolarHBondContact O-N 3.44Å
390	P	36.6	Very low	48.7	Very low	93 Å²	93	142.2 Å²	142.2	60%	0.604	73%	0.731	S	S	*	*			trans	-80.7	101.2	175.9	-14.6	31.2	0	0	0	111.6	H392	P390-H392 VanDerWaalsContact C-N 3.28Å; P390-H392 PolarHBondContact O-N 3.26Å
391	E	33.8	Very low	46.4	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	75%	0.747	S	S	*	*			trans	-73	76.4	171.4	-68.6	-166.6	125.2	0	0	111.7	V389	V389-E391 PolarHBondContact O-N 3.44Å
392	H	42.2	Very low	43.9	Very low	154 Å²	154	144 Å²	144	71%	0.713	75%	0.752	S	S	*	*			trans	-139.4	17.2	170.4	71	-96.3	0	0	0	115.5	P390	P390-H392 VanDerWaalsContact C-N 3.28Å; P390-H392 PolarHBondContact O-N 3.26Å
393	V	43.3	Very low	41.4	Very low	129 Å²	129	150.1 Å²	150.1	78%	0.782	77%	0.77	S	S	*	*	S	Bend	trans	-130.4	68.5	171.5	-166.6	0	0	0	0	112.3
394	R	31.8	Very low	39.1	Very low	249 Å²	249	149.6 Å²	149.6	94%	0.94	77%	0.771	S	S	*	*			trans	-166.3	91.2	143	-109.7	169.6	-172.9	167.3	3.1	110.3
395	K	37.2	Very low	37.4	Very low	207 Å²	207	151.5 Å²	151.5	90%	0.9	78%	0.783	S	S	*	*			trans	-81.1	141.7	163.5	-76.4	-174.1	175	-177.8	0	109.5
396	A	38.6	Very low	35.6	Very low	100 Å²	100	152.5 Å²	152.5	83%	0.826	79%	0.793	S	S	*	*			trans	44.5	91.9	150.1	0	0	0	0	0	118.3
397	Q	31.8	Very low	34.3	Very low	175 Å²	175	152.3 Å²	152.3	82%	0.818	80%	0.796	S	S	*	*			trans	-154.1	72.7	143.1	-163.2	163.8	0.6	0	0	112.5
398	D	30.6	Very low	33.3	Very low	170 Å²	170	151.1 Å²	151.1	91%	0.909	80%	0.795	S	S	*	*			trans	-120.8	65.6	166.5	-86.5	-53.1	0	0	0	110.3
399	T	38	Very low	32.5	Very low	121 Å²	121	151 Å²	151	74%	0.742	80%	0.795	S	S	*	*			trans	-150.9	142.1	165.9	38.7	0	0	0	0	108.4
400	A	33	Very low	32.2	Very low	89 Å²	89	147.8 Å²	147.8	74%	0.736	79%	0.789	S	S	*	*	S	Bend	trans	72.2	92.2	-177.7	0	0	0	0	0	116.8
401	E	30.5	Very low	31.8	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.822	81%	0.806	S	S	*	*				59	107.1	116.7	-67.6	164.4	-147.5	0	0	121.1
402	S	28.7	Very low	31.6	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	80%	0.803	S	S	*	*				60	134.8	110.4	-50.5	0	0	0	0	122.8
403	Y	28.1	Very low	30.9	Very low	216 Å²	216	147.1 Å²	147.1	85%	0.847	81%	0.807	S	S	*	*			trans	93.8	124.4	155.6	-62.5	-70.2	0	0	0	121.7
404	S	27.1	Very low	30.9	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	80%	0.802	S	S	*	*			trans	61.6	108.2	136.8	-60.8	0	0	0	0	122.5
405	L	27.8	Very low	30.9	Very low	161 Å²	161	142.6 Å²	142.6	84%	0.843	79%	0.794	S	S	*	*				38.4	155.9	111.2	-74.2	171.2	0	0	0	122.3
406	I	26.5	Very low	30.7	Very low	153 Å²	153	141.6 Å²	141.6	79%	0.785	79%	0.792	S	S	*	*			trans	80.7	109	176.4	-50	173.2	0	0	0	110.8
407	S	28.9	Very low	30.4	Very low	106 Å²	106	149 Å²	149	74%	0.741	80%	0.799	S	S	*	*			cis	81.3	151.8	47.9	-165.2	0	0	0	0	113.8
408	M	28.2	Very low	30.1	Very low	161 Å²	161	146.6 Å²	146.6	79%	0.793	79%	0.792	S	S	*	*			trans	68	158.7	-170.5	-55.3	-176.4	66.5	0	0	115.3
409	K	27.1	Very low	30.1	Very low	191 Å²	191	143.3 Å²	143.3	83%	0.83	78%	0.777	S	S	*	*			cis	-179.6	130.3	-32.2	172.8	177.5	177.1	178.7	0	107.8
410	G	25.7	Very low	29.6	Very low	65 Å²	65	143.8 Å²	143.8	67%	0.67	78%	0.775	S	S	*	*			trans	116.9	123.9	146.9	0	0	0	0	0	119.3
411	M	28.6	Very low	29.3	Very low	197 Å²	197	148.7 Å²	148.7	97%	0.97	78%	0.78	S	S	*	*			trans	58	123	134.2	-128.6	80.5	88.1	0	0	120.2
412	G	29.1	Very low	29	Very low	81 Å²	81	148 Å²	148	84%	0.835	78%	0.777	S	S	*	*			trans	177.7	10.6	171.6	0	0	0	0	0	121.3
413	D	29.1	Very low	28.7	Very low	148 Å²	148	149.3 Å²	149.3	79%	0.791	77%	0.774	S	S	*	*			trans	-88.1	139.2	166.5	-169	39.3	0	0	0	108.4	K415	D413-K415 PolarHBondContact OD1-N 2.83Å
414	P	43.2	Very low	28.8	Very low	103 Å²	103	148 Å²	148	67%	0.669	77%	0.773	S	S	*	*				-148.8	146.9	84.7	42.4	-24.7	0	0	0	116.8
415	K	31.1	Very low	29	Very low	180 Å²	180	148.9 Å²	148.9	78%	0.783	78%	0.779	S	S	*	*			trans	127.3	107.7	135.7	-67.8	176.8	-172.9	174.9	0	116.7	D413	D413-K415 PolarHBondContact OD1-N 2.83Å
416	H	32.7	Very low	28.9	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.856	78%	0.779	S	S	*	*			trans	-6.2	131.3	143.2	-64.5	-86.4	0	0	0	118.5
417	R	32.3	Very low	28.8	Very low	256 Å²	256	148.5 Å²	148.5	97%	0.966	78%	0.778	S	S	*	*				-136.5	153.7	117.5	-169.6	163.2	173.8	164	-3	109.8
418	N	26.4	Very low	28.9	Very low	125 Å²	125	152.6 Å²	152.6	67%	0.668	78%	0.783	S	S	*	*			trans	-123	159.3	-162.4	-164.6	19.4	0	0	0	112.3
419	V	30.3	Very low	28.7	Very low	100 Å²	100	153.1 Å²	153.1	61%	0.606	79%	0.788	S	S	*	*			trans	54.3	123.4	160.5	-77.1	0	0	0	0	122.5
420	N	27.6	Very low	28.8	Very low	131 Å²	131	154.4 Å²	154.4	70%	0.701	79%	0.787	S	S	*	*				82.8	125.5	124.6	-64.1	-2.1	0	0	0	123.8
421	F	26.7	Very low	28.8	Very low	192 Å²	192	157.9 Å²	157.9	84%	0.842	79%	0.786	S	S	*	*			trans	33	123.3	135.7	-65.2	-84.5	0	0	0	121
422	H	23.4	Very low	28.5	Very low	161 Å²	161	157.4 Å²	157.4	75%	0.745	78%	0.781	S	S	*	*				155.5	169.2	94.8	-167.9	51.2	0	0	0	113.2
423	M	22.5	Very low	28.3	Very low	123 Å²	123	160.3 Å²	160.3	61%	0.606	78%	0.775	S	S	*	*			trans	73	105.7	156.9	-154.9	68.6	89.1	0	0	120.5
424	K	30.4	Very low	28	Very low	189 Å²	189	163.6 Å²	163.6	82%	0.822	78%	0.778	S	S	*	*			trans	39.3	127.7	142.6	-58.9	176	-176.7	-177.8	0	121.4
425	S	30.6	Very low	27.1	Very low	119 Å²	119	164 Å²	164	83%	0.832	78%	0.783	S	S	*	*				-153.3	142.5	121.4	56.4	0	0	0	0	111
426	E	27	Very low	26.9	Very low	181 Å²	181	164.1 Å²	164.1	85%	0.846	79%	0.786	S	S	*	*			trans	-75.2	157.4	172	-56	152.5	116.9	0	0	110.7
427	T	24.7	Very low	26.5	Very low	125 Å²	125	161.1 Å²	161.1	77%	0.767	78%	0.783	S	S	*	*				-174.5	136.8	127.4	16.5	0	0	0	0	113.9
428	K	29.8	Very low	26.2	Very low	192 Å²	192	158.3 Å²	158.3	84%	0.835	78%	0.778	S	S	*	*			trans	49.9	80.6	145.1	-63.7	171.5	-179.9	175	0	117.7	R430	K428-R430 PolarHBondContact O-N 3.46Å
429	L	24.4	Very low	26.3	Very low	172 Å²	172	157.7 Å²	157.7	90%	0.901	78%	0.784	S	S	*	*			trans	-68.8	108	145.3	-160.1	170.8	0	0	0	107
430	R	29.8	Very low	26.3	Very low	217 Å²	217	161.7 Å²	161.7	82%	0.819	80%	0.796	S	S	*	*			trans	-95	115.9	174.2	-164.5	-173.6	-167.7	-73.3	2.3	109.4	K428	K428-R430 PolarHBondContact O-N 3.46Å
431	E	24.1	Very low	26.7	Very low	139 Å²	139	164.4 Å²	164.4	65%	0.65	80%	0.804	S	S	*	*			trans	-41	133.5	168.4	177	-177	-143.4	0	0	114
432	Q	23.5	Very low	27.5	Very low	186 Å²	186	160.6 Å²	160.6	87%	0.869	79%	0.789	S	S	*	*			trans	-149	112.3	152.8	-169.1	163.5	7.8	0	0	108.7
433	M	23.6	Very low	29	Very low	143 Å²	143	158 Å²	158	70%	0.704	79%	0.785	S	S	*	*			trans	-64.1	146.2	174	-66	174.8	169.6	0	0	111
434	Y	22.9	Very low	29.8	Very low	217 Å²	217	157 Å²	157	85%	0.851	79%	0.789	S	S	*	*				-175.3	142.2	114.4	-104.3	-68.8	0	0	0	112.6
435	S	24.3	Very low	30.4	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	78%	0.779	S	S	*	*			trans	74.3	136.3	153.7	-56.2	0	0	0	0	121
436	E	27.5	Very low	31.2	Very low	181 Å²	181	150.8 Å²	150.8	85%	0.846	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.5	135.2	174.6	-179.4	173.4	-131.6	0	0	112.8
437	P	25.3	Very low	33	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-79.1	128.9	173	31.6	-31.8	0	0	0	110.9
438	K	25	Very low	34.2	Very low	197 Å²	197	144.3 Å²	144.3	86%	0.857	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-60.6	154.8	-174.8	-59.3	170.7	-180	179.3	0	113.2
439	S	29.2	Very low	35.2	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-51.4	138.2	159.8	52.9	0	0	0	0	111.6
440	E	30.5	Very low	36.8	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-63.1	140.2	168.9	-59.8	-174.7	142.7	0	0	110	E442	E440-E442 PolarHBondContact O-N 3.25Å
441	E	36.3	Very low	38.3	Very low	188 Å²	188	128.6 Å²	128.6	88%	0.879	67%	0.67	S	S	*	*			trans	-70.4	113.1	177.7	-70.4	178.7	118.9	0	0	109.9	T443	E441-T443 PolarHBondContact O-N 3Å
442	E	42.5	Very low	40.4	Very low	112 Å²	112	126.9 Å²	126.9	52%	0.523	67%	0.665	S	S	.	*			trans	-66.3	100	169.9	-63.8	-156.2	130.9	0	0	109.6	E440 C444 K446	E440-E442 PolarHBondContact O-N 3.25Å; E442-C444 PolarHBondContact O-N 3.16Å; E442-K446 HydrophobicContact CG-CD 4.5Å; E442-K446 IonicContact OE1-NZ 3.69Å; E442-K446 PolarHBondContact OE1-NZ 2.97Å
443	T	55.9	Low	42.6	Very low	108 Å²	108	123.6 Å²	123.6	66%	0.663	65%	0.652	S	S	*	*			trans	-51.3	127.8	176.6	-47.8	0	0	0	0	109.8	E441 A445 K446	E441-T443 PolarHBondContact O-N 3Å; T443-A445 PolarHBondContact O-N 2.88Å; T443-K446 WeakPolarHBondContact O-CB 3.3Å; T443-K446 PolarHBondContact O-N 2.94Å
444	C	38.7	Very low	44.6	Very low	102 Å²	102	124 Å²	124	69%	0.689	65%	0.649	S	S	*	*	H	α-helix	trans	-49.8	-28.1	-171.4	-167.2	0	0	0	0	114.8	E442 K446 T447 L448	E442-C444 PolarHBondContact O-N 3.16Å; C444-K446 VanDerWaalsContact C-N 3.33Å; C444-K446 PolarHBondContact O-N 2.71Å; C444-T447 PolarHBondContact O-N 3.23Å; C444-L448 VanDerWaalsContact O-CB 3.25Å; C444-L448 WeakPolarHBondContact O-CB 3.23Å; C444-L448 PolarHBondContact O-N 3.19Å
445	A	43.5	Very low	46.4	Very low	73 Å²	73	118.2 Å²	118.2	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-61.2	-31.8	172.5	0	0	0	0	0	114.7	T443 G449	T443-A445 PolarHBondContact O-N 2.88Å; A445-G449 PolarHBondContact O-N 3.35Å
446	K	46.6	Very low	48	Very low	103 Å²	103	114.7 Å²	114.7	45%	0.448	61%	0.612	S	S	.	*	H	α-helix	trans	-66.9	-55.6	174.8	-172.8	-164.8	177.6	-160.6	0	110	E442 T443 C444 L448 G449 E450	E442-K446 HydrophobicContact CG-CD 4.5Å; E442-K446 IonicContact OE1-NZ 3.69Å; E442-K446 PolarHBondContact OE1-NZ 2.97Å; T443-K446 WeakPolarHBondContact O-CB 3.3Å; T443-K446 PolarHBondContact O-N 2.94Å; C444-K446 VanDerWaalsContact C-N 3.33Å; C444-K446 PolarHBondContact O-N 2.71Å; K446-L448 VanDerWaalsContact C-N 3.3Å; K446-L448 PolarHBondContact O-N 3.47Å; K446-G449 PolarHBondContact O-N 3.15Å; K446-G449 VanDerWaalsContact O-N 3.1Å; K446-E450 WeakPolarHBondContact CE-OE1 3.34Å; K446-E450 IonicContact NZ-OE1 2.69Å; K446-E450 PolarHBondContact O-N 3.46Å
447	T	64	Low	49.4	Very low	70 Å²	70	110.9 Å²	110.9	43%	0.429	60%	0.597	S	S	.	*	H	α-helix	trans	-60.3	-39.6	179.3	-37.4	0	0	0	0	111.6	C444 H451	C444-T447 PolarHBondContact O-N 3.23Å; T447-H451 VanDerWaalsContact O-CB 3.29Å; T447-H451 WeakPolarHBondContact O-CB 3.22Å; T447-H451 PolarHBondContact O-N 3.02Å
448	L	49.9	Very low	51.3	Low	100 Å²	100	107.7 Å²	107.7	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-43.3	173.6	-179	61.5	0	0	0	112.1	C444 K446 H451 I452	C444-L448 VanDerWaalsContact O-CB 3.25Å; C444-L448 WeakPolarHBondContact O-CB 3.23Å; C444-L448 PolarHBondContact O-N 3.19Å; K446-L448 VanDerWaalsContact C-N 3.3Å; K446-L448 PolarHBondContact O-N 3.47Å; L448-H451 PolarHBondContact O-N 2.94Å; L448-I452 HydrophobicContact CD1-CD1 3.95Å; L448-I452 HydrophobicContact CD1-CG1 4.25Å; L448-I452 HydrophobicContact CG-CD1 3.86Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.27Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 3.11Å
449	G	52.3	Low	53.3	Low	27 Å²	27	103.2 Å²	103.2	28%	0.278	56%	0.559	S	S	.	*	H	α-helix	trans	-61	-47.1	175.9	0	0	0	0	0	112.4	A445 K446 H451 I452 I453	A445-G449 PolarHBondContact O-N 3.35Å; K446-G449 PolarHBondContact O-N 3.15Å; K446-G449 VanDerWaalsContact O-N 3.1Å; G449-H451 VanDerWaalsContact C-N 3.34Å; G449-H451 PolarHBondContact O-N 3.18Å; G449-I452 PolarHBondContact O-N 3.45Å; G449-I453 WeakPolarHBondContact O-CB 3.43Å; G449-I453 WeakPolarHBondContact O-CD1 3.29Å; G449-I453 VanDerWaalsContact O-CG1 3.25Å; G449-I453 WeakPolarHBondContact O-CG1 3.29Å; G449-I453 PolarHBondContact O-N 3.34Å
450	E	57.9	Low	54.3	Low	104 Å²	104	105.2 Å²	105.2	49%	0.486	55%	0.55	S	S	.	.	H	α-helix	trans	-62.4	-39.8	174.6	-71.5	-179.1	-162.4	0	0	112.1	K446 I453 K454	K446-E450 WeakPolarHBondContact CE-OE1 3.34Å; K446-E450 IonicContact NZ-OE1 2.69Å; K446-E450 PolarHBondContact O-N 3.46Å; E450-I453 PolarHBondContact O-N 2.87Å; E450-K454 WeakPolarHBondContact O-CB 3.36Å; E450-K454 PolarHBondContact O-N 2.62Å
451	H	61.3	Low	55.2	Low	120 Å²	120	102 Å²	102	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-64.4	-45.1	175.9	-164.2	101.5	0	0	0	112	T447 L448 G449 K454 E455	T447-H451 VanDerWaalsContact O-CB 3.29Å; T447-H451 WeakPolarHBondContact O-CB 3.22Å; T447-H451 PolarHBondContact O-N 3.02Å; L448-H451 PolarHBondContact O-N 2.94Å; G449-H451 VanDerWaalsContact C-N 3.34Å; G449-H451 PolarHBondContact O-N 3.18Å; H451-K454 PolarHBondContact O-N 2.91Å; H451-E455 WeakPolarHBondContact O-CB 3.39Å; H451-E455 PolarHBondContact O-N 3.24Å
452	I	68.3	Low	56.1	Low	104 Å²	104	99.2 Å²	99.2	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.2	-70.5	166.9	0	0	0	111.1	L448 G449 K454 G456	L448-I452 HydrophobicContact CD1-CD1 3.95Å; L448-I452 HydrophobicContact CD1-CG1 4.25Å; L448-I452 HydrophobicContact CG-CD1 3.86Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.27Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 3.11Å; G449-I452 PolarHBondContact O-N 3.45Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 2.86Å; I452-G456 PolarHBondContact O-N 2.96Å
453	I	69.1	Low	56.5	Low	116 Å²	116	96.8 Å²	96.8	60%	0.595	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-41.5	176.2	-69.7	165	0	0	0	110.5	G449 E450 L457	G449-I453 WeakPolarHBondContact O-CB 3.43Å; G449-I453 WeakPolarHBondContact O-CD1 3.29Å; G449-I453 VanDerWaalsContact O-CG1 3.25Å; G449-I453 WeakPolarHBondContact O-CG1 3.29Å; G449-I453 PolarHBondContact O-N 3.34Å; E450-I453 PolarHBondContact O-N 2.87Å; I453-L457 WeakPolarHBondContact O-CB 3.3Å; I453-L457 PolarHBondContact O-N 3.19Å
454	K	64.9	Low	56	Low	152 Å²	152	96.4 Å²	96.4	66%	0.661	51%	0.506	S	S	*	.	H	α-helix	trans	-68.5	-47.2	179.4	-171.6	176.5	-177.2	178.3	0	112.4	E450 H451 I452 L457 T458	E450-K454 WeakPolarHBondContact O-CB 3.36Å; E450-K454 PolarHBondContact O-N 2.62Å; H451-K454 PolarHBondContact O-N 2.91Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 2.86Å; K454-L457 PolarHBondContact O-N 3.36Å; K454-T458 WeakPolarHBondContact O-CG2 3.43Å; K454-T458 PolarHBondContact O-N 2.91Å
455	E	60.8	Low	56.1	Low	96 Å²	96	98.1 Å²	98.1	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-53.6	-54.3	170.4	-94.6	-78.7	101.3	0	0	110.3	H451 L457 T458 L459	H451-E455 WeakPolarHBondContact O-CB 3.39Å; H451-E455 PolarHBondContact O-N 3.24Å; E455-L457 PolarHBondContact O-N 2.93Å; E455-T458 PolarHBondContact O-N 3.45Å; E455-T458 PolarHBondContact O-OG1 2.88Å; E455-L459 PolarHBondContact O-N 3.13Å
456	G	59.1	Low	56.1	Low	38 Å²	38	102.6 Å²	102.6	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-55.8	-44.6	179.5	0	0	0	0	0	113.4	I452 L459 W460	I452-G456 PolarHBondContact O-N 2.96Å; G456-L459 PolarHBondContact O-N 2.85Å; G456-W460 WeakPolarHBondContact O-CB 3.46Å; G456-W460 PolarHBondContact O-N 3.43Å
457	L	56.3	Low	55.6	Low	101 Å²	101	104.2 Å²	104.2	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-44.2	174.3	-119	74.9	0	0	0	112	I453 K454 E455 W460 H461	I453-L457 WeakPolarHBondContact O-CB 3.3Å; I453-L457 PolarHBondContact O-N 3.19Å; K454-L457 PolarHBondContact O-N 3.36Å; E455-L457 PolarHBondContact O-N 2.93Å; L457-W460 PolarHBondContact O-N 3Å; L457-H461 PolarHBondContact O-CD2 3.41Å; L457-H461 PolarHBondContact O-N 3.45Å
458	T	66	Low	54.2	Low	54 Å²	54	106.4 Å²	106.4	33%	0.331	54%	0.535	S	S	.	.	H	α-helix	trans	-70.1	-33.5	-179.3	68.6	0	0	0	0	112.8	K454 E455 K462	K454-T458 WeakPolarHBondContact O-CG2 3.43Å; K454-T458 PolarHBondContact O-N 2.91Å; E455-T458 PolarHBondContact O-N 3.45Å; E455-T458 PolarHBondContact O-OG1 2.88Å; T458-K462 VanDerWaalsContact O-CB 3.28Å; T458-K462 WeakPolarHBondContact O-CB 3.26Å; T458-K462 WeakPolarHBondContact O-CD 3.37Å; T458-K462 WeakPolarHBondContact O-CG 3.34Å; T458-K462 PolarHBondContact O-N 3.42Å
459	L	66.3	Low	53.4	Low	103 Å²	103	109.7 Å²	109.7	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-45.6	170.3	-92.3	143.4	0	0	0	111.3	E455 G456 K462 S463	E455-L459 PolarHBondContact O-N 3.13Å; G456-L459 PolarHBondContact O-N 2.85Å; L459-K462 PolarHBondContact O-N 2.9Å; L459-S463 PolarHBondContact O-N 2.7Å
460	W	49.6	Very low	52.5	Low	154 Å²	154	112.9 Å²	112.9	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-58.6	-50.3	176.4	-171.3	-85	0	0	0	111.9	G456 L457 K462 S463 Q464	G456-W460 WeakPolarHBondContact O-CB 3.46Å; G456-W460 PolarHBondContact O-N 3.43Å; L457-W460 PolarHBondContact O-N 3Å; W460-K462 PolarHBondContact O-N 3.41Å; W460-S463 WeakPolarHBondContact O-CB 3.38Å; W460-S463 PolarHBondContact O-N 2.95Å; W460-S463 VanDerWaalsContact O-N 3.14Å; W460-Q464 WeakPolarHBondContact O-CG 3.32Å; W460-Q464 PolarHBondContact O-N 3.11Å; W460-Q464 VanDerWaalsContact O-N 3.08Å
461	H	49	Very low	51.3	Low	117 Å²	117	115.1 Å²	115.1	54%	0.542	58%	0.578	S	S	.	*	H	α-helix	trans	-64.1	-35.5	176.4	-77	-66.8	0	0	0	113.1	L457 S463 Q465	L457-H461 PolarHBondContact O-CD2 3.41Å; L457-H461 PolarHBondContact O-N 3.45Å; H461-S463 VanDerWaalsContact C-N 3.31Å; H461-S463 PolarHBondContact O-N 2.93Å; H461-Q465 WeakPolarHBondContact O-CB 3.12Å; H461-Q465 PolarHBondContact O-N 3.01Å
462	K	56.1	Low	49.5	Very low	129 Å²	129	113.1 Å²	113.1	56%	0.561	59%	0.59	S	S	*	*	H	α-helix	trans	-67.8	-27.4	173.3	-78.3	168.1	-177.3	165.4	0	113.1	T458 L459 W460 K466	T458-K462 VanDerWaalsContact O-CB 3.28Å; T458-K462 WeakPolarHBondContact O-CB 3.26Å; T458-K462 WeakPolarHBondContact O-CD 3.37Å; T458-K462 WeakPolarHBondContact O-CG 3.34Å; T458-K462 PolarHBondContact O-N 3.42Å; L459-K462 PolarHBondContact O-N 2.9Å; W460-K462 PolarHBondContact O-N 3.41Å; K462-K466 WeakPolarHBondContact O-CG 3.38Å
463	S	50.8	Low	47.5	Very low	61 Å²	61	116.9 Å²	116.9	43%	0.427	60%	0.603	S	S	.	*	H	α-helix	trans	-71.4	-54.6	172.7	-155.4	0	0	0	0	110.4	L459 W460 H461 Q465 K466 E467	L459-S463 PolarHBondContact O-N 2.7Å; W460-S463 WeakPolarHBondContact O-CB 3.38Å; W460-S463 PolarHBondContact O-N 2.95Å; W460-S463 VanDerWaalsContact O-N 3.14Å; H461-S463 VanDerWaalsContact C-N 3.31Å; H461-S463 PolarHBondContact O-N 2.93Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 3.04Å; S463-K466 WeakPolarHBondContact O-CB 3.41Å; S463-K466 PolarHBondContact O-N 3.38Å; S463-E467 PolarHBondContact O-N 2.77Å
464	Q	45.1	Very low	45.5	Very low	100 Å²	100	120.2 Å²	120.2	47%	0.467	62%	0.616	S	S	.	*	H	α-helix	trans	-57.7	-39.2	-179.4	-66.7	-68.8	-20.3	0	0	112.7	W460 K466 E467 C468	W460-Q464 WeakPolarHBondContact O-CG 3.32Å; W460-Q464 PolarHBondContact O-N 3.11Å; W460-Q464 VanDerWaalsContact O-N 3.08Å; Q464-K466 VanDerWaalsContact C-N 3.28Å; Q464-K466 PolarHBondContact O-N 3.34Å; Q464-E467 PolarHBondContact O-N 3.01Å; Q464-C468 WeakPolarHBondContact O-CB 3.34Å; Q464-C468 PolarHBondContact O-N 2.72Å
465	Q	42.1	Very low	43.6	Very low	138 Å²	138	122.4 Å²	122.4	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-16.9	176	-85.7	-163.1	-7	0	0	115.3	H461 S463	H461-Q465 WeakPolarHBondContact O-CB 3.12Å; H461-Q465 PolarHBondContact O-N 3.01Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 3.04Å
466	K	43.4	Very low	41.8	Very low	168 Å²	168	122 Å²	122	73%	0.73	64%	0.641	S	S	*	*	H	α-helix	trans	-81.5	-44.2	174	-78	178.3	174	-177.6	0	111.6	K462 S463 Q464	K462-K466 WeakPolarHBondContact O-CG 3.38Å; S463-K466 WeakPolarHBondContact O-CB 3.41Å; S463-K466 PolarHBondContact O-N 3.38Å; Q464-K466 VanDerWaalsContact C-N 3.28Å; Q464-K466 PolarHBondContact O-N 3.34Å
467	E	36.1	Very low	40.2	Very low	137 Å²	137	125.2 Å²	125.2	64%	0.64	66%	0.664	S	S	*	*	H	α-helix	trans	-71.5	-34	-176.3	-67.6	169.7	146.3	0	0	111.5	S463 Q464 K469	S463-E467 PolarHBondContact O-N 2.77Å; Q464-E467 PolarHBondContact O-N 3.01Å; E467-K469 PolarHBondContact O-N 3.45Å; E467-K469 VanDerWaalsContact O-N 3.09Å
468	C	33.3	Very low	38.7	Very low	115 Å²	115	126.7 Å²	126.7	78%	0.777	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	9.9	-178.6	-152.7	0	0	0	0	115.4	Q464	Q464-C468 WeakPolarHBondContact O-CB 3.34Å; Q464-C468 PolarHBondContact O-N 2.72Å
469	K	34.8	Very low	36.6	Very low	170 Å²	170	133.4 Å²	133.4	74%	0.739	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	7.1	-172.4	-84	-172.8	174.5	179.1	0	116.9	E467	E467-K469 PolarHBondContact O-N 3.45Å; E467-K469 VanDerWaalsContact O-N 3.09Å
470	S	32.9	Very low	34.7	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	72%	0.722	S	S	*	*	S	Bend	trans	-135.8	65.8	-177	62.1	0	0	0	0	114.9
471	L	31.7	Very low	33.9	Very low	151 Å²	151	131.1 Å²	131.1	79%	0.791	73%	0.728	S	S	*	*			trans	-169.1	87	150.1	-107.3	159.3	0	0	0	111.2	F473	L471-F473 HydrophobicContact CD2-CD2 3.74Å; L471-F473 HydrophobicContact CD2-CE2 3.58Å
472	G	23.3	Very low	32.7	Very low	78 Å²	78	132.7 Å²	132.7	80%	0.804	74%	0.741	S	S	*	*			trans	-129	83.3	176.4	0	0	0	0	0	111.3	Q474	G472-Q474 PolarHBondContact O-N 3.07Å
473	F	28	Very low	31.3	Very low	184 Å²	184	133 Å²	133	81%	0.807	75%	0.753	S	S	*	*			trans	-76.2	111.7	176.6	-87.3	-77.4	0	0	0	111.2	L471	L471-F473 HydrophobicContact CD2-CD2 3.74Å; L471-F473 HydrophobicContact CD2-CE2 3.58Å
474	Q	27.1	Very low	30.1	Very low	186 Å²	186	138.4 Å²	138.4	87%	0.869	77%	0.772	S	S	*	*			trans	-79.4	121.5	161.7	-72	-175	-7.4	0	0	109.5	G472 A476	G472-Q474 PolarHBondContact O-N 3.07Å; Q474-A476 PolarHBondContact O-N 3.37Å
475	H	23.5	Very low	29	Very low	197 Å²	197	139.6 Å²	139.6	91%	0.912	79%	0.79	S	S	*	*			trans	-80.3	111.3	161.4	-96.6	-90.8	0	0	0	109.3
476	A	23.1	Very low	28.2	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	80%	0.8	S	S	*	*			trans	-116.9	132.1	162	0	0	0	0	0	108.2	Q474	Q474-A476 PolarHBondContact O-N 3.37Å
477	A	25.4	Very low	28	Very low	104 Å²	104	140.3 Å²	140.3	86%	0.86	80%	0.803	S	S	*	*			trans	-83.8	136.6	-178.9	0	0	0	0	0	111.1
478	C	24.3	Very low	27.5	Very low	132 Å²	132	138.9 Å²	138.9	89%	0.892	81%	0.809	S	S	*	*			trans	-130.7	137.5	162.2	-81.8	0	0	0	0	109
479	E	22.7	Very low	28	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	80%	0.804	S	S	*	*			trans	-77.8	162.2	179.7	-62.4	164.6	112.2	0	0	111.6
480	A	26	Very low	27.5	Very low	98 Å²	98	136.4 Å²	136.4	81%	0.81	80%	0.801	S	S	*	*			trans	-128.7	142.9	168.3	0	0	0	0	0	109.9
481	P	33	Very low	27.1	Very low	110 Å²	110	138.5 Å²	138.5	71%	0.714	80%	0.804	S	S	*	*			trans	-137.7	136.1	140.4	34.8	-22	0	0	0	113.6
482	N	23.9	Very low	26.7	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	79%	0.794	S	S	*	*			trans	43.6	143.6	137.5	-56.2	-32.3	0	0	0	120.1
483	T	27.9	Very low	26.9	Very low	134 Å²	134	141 Å²	141	82%	0.822	80%	0.797	S	S	*	*			cis	-161.1	170.9	49.3	-44.7	0	0	0	0	112.1
484	Q	24.8	Very low	26.6	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	80%	0.797	S	S	*	*			trans	-75.7	154.6	-174	-57.6	163.3	-11.9	0	0	114.6
485	C	21.7	Very low	26.6	Very low	124 Å²	124	141.3 Å²	141.3	84%	0.838	79%	0.794	S	S	*	*				179.3	159.5	115.2	-100	0	0	0	0	115.2
486	K	24.6	Very low	27.3	Very low	198 Å²	198	137.3 Å²	137.3	86%	0.861	79%	0.785	S	S	*	*			trans	-152.1	171.2	171.8	-93.1	-168.5	177.9	-174.7	0	106.9
487	P	40.2	Very low	27.6	Very low	123 Å²	123	141 Å²	141	80%	0.799	79%	0.787	S	S	*	*			cis	-131.3	-152.8	13.7	41.8	-21.9	0	0	0	114.6
488	S	25.3	Very low	27.8	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	78%	0.777	S	S	*	*			trans	-93	-156.3	-178.2	64.8	0	0	0	0	112.1
489	P	43.7	Very low	28.1	Very low	105 Å²	105	141.2 Å²	141.2	68%	0.682	76%	0.764	S	S	*	*			cis	-134.6	-153.2	31.3	40.7	-15.5	0	0	0	112.6
490	D	23.9	Very low	28.1	Very low	127 Å²	127	138.1 Å²	138.1	68%	0.679	76%	0.762	S	S	*	*			cis	-164.7	175.1	1.1	-138.6	-22.9	0	0	0	113.8
491	I	26	Very low	28.2	Very low	137 Å²	137	139.6 Å²	139.6	70%	0.703	76%	0.757	S	S	*	*			trans	53.3	144.2	144.7	-75.1	155.7	0	0	0	121.9
492	S	23.1	Very low	27.8	Very low	85 Å²	85	142.5 Å²	142.5	59%	0.594	77%	0.765	S	S	*	*			cis	-172.6	-170.9	-23.4	-75.3	0	0	0	0	106.6
493	F	26	Very low	27.9	Very low	196 Å²	196	140.9 Å²	140.9	86%	0.86	77%	0.766	S	S	*	*			cis	-140.3	-142.1	-0.3	-125.1	-47.8	0	0	0	108
494	E	21.6	Very low	28.1	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	77%	0.765	S	S	*	*			cis	-158.1	162	6.2	-160.6	164.5	-96.6	0	0	109.4
495	Y	27.7	Very low	28.4	Very low	207 Å²	207	137.1 Å²	137.1	81%	0.812	76%	0.759	S	S	*	*			trans	-161.7	158.1	178.8	-116	-86.9	0	0	0	111.1
496	P	38.2	Very low	28.9	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	76%	0.758	S	S	*	*				-143.7	160.3	108.3	32.2	-13.9	0	0	0	113.5
497	E	29.8	Very low	29	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	76%	0.758	S	S	*	*			cis	73.7	152.7	39.6	-62.1	-173.9	148.9	0	0	113.8
498	D	29.5	Very low	28.5	Very low	122 Å²	122	137.2 Å²	137.2	65%	0.652	75%	0.752	S	S	*	*			cis	-147.7	-178.3	4	-152	13.5	0	0	0	107.9
499	I	30.6	Very low	28.8	Very low	120 Å²	120	138.2 Å²	138.2	62%	0.615	76%	0.756	S	S	*	*			cis	-156.4	150.6	6.5	-166.1	171.3	0	0	0	111.3
500	C	23.7	Very low	28	Very low	130 Å²	130	142.1 Å²	142.1	88%	0.878	77%	0.765	S	S	*	*			trans	-174.9	114.4	134.1	-112.7	0	0	0	0	112.2
501	N	26.9	Very low	28.1	Very low	130 Å²	130	145 Å²	145	70%	0.695	77%	0.771	S	S	*	*			trans	-110.3	155.9	-168.7	-78.5	-68.5	0	0	0	114.2
502	L	25.9	Very low	28.2	Very low	170 Å²	170	144 Å²	144	89%	0.89	77%	0.774	S	S	*	*			trans	-177.2	125	132.6	-101.4	164.1	0	0	0	111.9
503	S	26	Very low	28.5	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	78%	0.78	S	S	*	*			trans	-162.9	147.2	174.5	-70	0	0	0	0	111.7
504	P	31.2	Very low	28.5	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	78%	0.776	S	S	*	*			trans	-139.2	175.9	146.6	43.9	-31	0	0	0	111.8
505	P	30.5	Very low	28.8	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	78%	0.776	S	S	*	*				-110.9	164.5	-87.6	36.5	-22.2	0	0	0	113.5
506	P	32.6	Very low	28.8	Very low	127 Å²	127	141.7 Å²	141.7	83%	0.825	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-80	143.6	178.4	32.3	-34.8	0	0	0	113.5
507	Y	26.4	Very low	28.7	Very low	215 Å²	215	140.3 Å²	140.3	84%	0.843	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-86.6	157.7	165.6	-86.1	-99.2	0	0	0	111
508	P	30.5	Very low	29.1	Very low	104 Å²	104	138 Å²	138	68%	0.675	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-70.3	158.4	-177.5	30	-36.3	0	0	0	113	E510	P508-E510 PolarHBondContact O-N 2.69Å
509	P	31	Very low	29.9	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71.5	118.7	-178.6	28.8	-34.5	0	0	0	111.9
510	E	26.5	Very low	30.6	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-71.4	152.9	166.5	-66.3	-176.6	143.9	0	0	110.7	P508	P508-E510 PolarHBondContact O-N 2.69Å
511	K	25.9	Very low	31.9	Very low	187 Å²	187	131.9 Å²	131.9	81%	0.813	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-77.7	147.4	-178.3	-60.9	165.5	-173.8	167.6	0	109.1	E513	K511-E513 PolarHBondContact O-N 3.03Å
512	P	29.1	Very low	32.5	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	73%	0.725	S	S	*	*			trans	-63.6	109.3	165.4	27.5	-32.6	0	0	0	108.9	N514	P512-N514 PolarHBondContact O-N 3.16Å
513	E	28.6	Very low	33.6	Very low	154 Å²	154	128.6 Å²	128.6	72%	0.72	70%	0.7	S	S	*	*			trans	-68.9	119.1	172.1	-66.3	-167.2	135.7	0	0	109.2	K511 F515	K511-E513 PolarHBondContact O-N 3.03Å; E513-F515 VanDerWaalsContact C-N 3.3Å; E513-F515 HydrophobicContact CB-CD2 4.24Å; E513-F515 HydrophobicContact CB-CE2 4.12Å; E513-F515 PolarHBondContact O-N 3.21Å
514	N	26.2	Very low	34.7	Very low	143 Å²	143	128.4 Å²	128.4	77%	0.765	69%	0.685	S	S	*	*			trans	-73.1	85.6	176.8	-73.1	-53.2	0	0	0	109.8	P512 I516	P512-N514 PolarHBondContact O-N 3.16Å; N514-I516 HydrophobicContact CB-CG1 4.4Å; N514-I516 PolarHBondContact O-N 2.9Å
515	F	28.6	Very low	35.5	Very low	184 Å²	184	127.6 Å²	127.6	81%	0.807	67%	0.673	S	S	*	*			trans	-70.4	60.9	159.2	-78.4	-83.7	0	0	0	110.4	E513 C517	E513-F515 VanDerWaalsContact C-N 3.3Å; E513-F515 HydrophobicContact CB-CD2 4.24Å; E513-F515 HydrophobicContact CB-CE2 4.12Å; E513-F515 PolarHBondContact O-N 3.21Å; F515-C517 PolarHBondContact O-N 3.26Å
516	I	28.3	Very low	36.5	Very low	129 Å²	129	128.6 Å²	128.6	66%	0.662	67%	0.673	S	S	*	*			trans	-68.6	112.2	157	-68.6	175.6	0	0	0	105.1	N514 D518	N514-I516 HydrophobicContact CB-CG1 4.4Å; N514-I516 PolarHBondContact O-N 2.9Å; I516-D518 PolarHBondContact O-N 3.05Å
517	C	34.6	Very low	37.6	Very low	83 Å²	83	127.6 Å²	127.6	56%	0.561	66%	0.659	S	S	*	*			trans	-69.4	111.5	175.1	-172.4	0	0	0	0	108.3	F515 S519	F515-C517 PolarHBondContact O-N 3.26Å; C517-S519 VanDerWaalsContact C-N 3.28Å; C517-S519 PolarHBondContact O-N 3.37Å
518	D	38.2	Very low	39.2	Very low	116 Å²	116	119.3 Å²	119.3	62%	0.62	63%	0.631	S	S	*	*			trans	-64.1	88.4	173.7	-78.9	-31.2	0	0	0	109.7	I516 D520 S521	I516-D518 PolarHBondContact O-N 3.05Å; D518-D520 PolarHBondContact O-N 2.88Å; D518-S521 WeakPolarHBondContact O-CB 3.5Å; D518-S521 PolarHBondContact O-N 3.17Å; D518-S521 PolarHBondContact O-OG 3.39Å
519	S	47.3	Very low	40.2	Very low	92 Å²	92	117.2 Å²	117.2	64%	0.643	62%	0.619	S	S	*	*	H	α-helix	trans	-52.9	-26.7	174.7	-59	0	0	0	0	112.3	C517 S521 W522 A523	C517-S519 VanDerWaalsContact C-N 3.28Å; C517-S519 PolarHBondContact O-N 3.37Å; S519-S521 PolarHBondContact O-N 2.93Å; S519-W522 PolarHBondContact O-N 3.39Å; S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 2.96Å
520	D	45.1	Very low	41.2	Very low	103 Å²	103	113.1 Å²	113.1	55%	0.551	60%	0.595	S	S	*	*	H	α-helix	trans	-61.2	-24.2	173.9	-127	52.4	0	0	0	114.1	D518 K524	D518-D520 PolarHBondContact O-N 2.88Å; D520-K524 WeakPolarHBondContact O-CD 3.44Å; D520-K524 WeakPolarHBondContact O-CE 3.18Å; D520-K524 WeakPolarHBondContact O-CG 3.26Å; D520-K524 PolarHBondContact O-N 2.95Å; D520-K524 PolarHBondContact O-NZ 2.59Å; D520-K524 WeakPolarHBondContact OD2-CE 3.3Å; D520-K524 IonicContact OD2-NZ 2.62Å; D520-K524 PolarHBondContact OD2-NZ 2.72Å
521	S	50.8	Low	42.3	Very low	49 Å²	49	106 Å²	106	34%	0.343	56%	0.564	S	S	.	*	H	α-helix	trans	-76.2	-55.6	174.7	61.4	0	0	0	0	110.9	D518 S519 A523 K524 D525	D518-S521 WeakPolarHBondContact O-CB 3.5Å; D518-S521 PolarHBondContact O-N 3.17Å; D518-S521 PolarHBondContact O-OG 3.39Å; S519-S521 PolarHBondContact O-N 2.93Å; S521-A523 PolarHBondContact O-N 3.29Å; S521-K524 WeakPolarHBondContact O-CB 3.46Å; S521-K524 PolarHBondContact O-N 3.05Å; S521-D525 PolarHBondContact O-N 3.44Å
522	W	40.6	Very low	43.7	Very low	187 Å²	187	101.3 Å²	101.3	71%	0.708	55%	0.547	S	S	*	.	H	α-helix	trans	-56	-37.3	175.7	-69	80.4	0	0	0	112.5	S519 L526	S519-W522 PolarHBondContact O-N 3.39Å; W522-L526 WeakPolarHBondContact O-CB 3.22Å; W522-L526 PolarHBondContact O-N 2.92Å
523	A	47.9	Very low	44.7	Very low	45 Å²	45	100.6 Å²	100.6	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-44.4	173.8	0	0	0	0	0	112.3	S519 S521 I527	S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 2.96Å; S521-A523 PolarHBondContact O-N 3.29Å; A523-I527 WeakPolarHBondContact O-CB 3.27Å; A523-I527 WeakPolarHBondContact O-CD1 3.48Å; A523-I527 WeakPolarHBondContact O-CG1 3.37Å; A523-I527 PolarHBondContact O-N 3.29Å
524	K	49.5	Very low	45.9	Very low	113 Å²	113	97.3 Å²	97.3	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-47.1	177.7	-70.2	160.2	-162	144.3	0	111.1	D520 S521 L526 I527 V528	D520-K524 WeakPolarHBondContact O-CD 3.44Å; D520-K524 WeakPolarHBondContact O-CE 3.18Å; D520-K524 WeakPolarHBondContact O-CG 3.26Å; D520-K524 PolarHBondContact O-N 2.95Å; D520-K524 PolarHBondContact O-NZ 2.59Å; D520-K524 WeakPolarHBondContact OD2-CE 3.3Å; D520-K524 IonicContact OD2-NZ 2.62Å; D520-K524 PolarHBondContact OD2-NZ 2.72Å; S521-K524 WeakPolarHBondContact O-CB 3.46Å; S521-K524 PolarHBondContact O-N 3.05Å; K524-L526 VanDerWaalsContact C-N 3.35Å; K524-L526 PolarHBondContact O-N 3.11Å; K524-I527 PolarHBondContact O-N 2.88Å; K524-V528 WeakPolarHBondContact O-CB 3.35Å; K524-V528 WeakPolarHBondContact O-CG2 3.21Å; K524-V528 PolarHBondContact O-N 3.36Å
525	D	47.6	Very low	47	Very low	107 Å²	107	92.2 Å²	92.2	57%	0.572	49%	0.494	S	S	*	.	H	α-helix	trans	-65	-37.6	179.9	-68.1	-20.6	0	0	0	112.2	S521 S529	S521-D525 PolarHBondContact O-N 3.44Å; D525-S529 WeakPolarHBondContact O-CB 3.18Å; D525-S529 PolarHBondContact O-N 3.31Å; D525-S529 PolarHBondContact O-OG 2.92Å
526	L	51.7	Low	47.9	Very low	129 Å²	129	87.3 Å²	87.3	68%	0.675	47%	0.471	S	S	*	.	H	α-helix	trans	-68.3	-41.6	175.4	-173.4	67.3	0	0	0	111.8	W522 K524 S529 A530	W522-L526 WeakPolarHBondContact O-CB 3.22Å; W522-L526 PolarHBondContact O-N 2.92Å; K524-L526 VanDerWaalsContact C-N 3.35Å; K524-L526 PolarHBondContact O-N 3.11Å; L526-S529 PolarHBondContact O-N 3.3Å; L526-A530 VanDerWaalsContact O-CB 3.32Å; L526-A530 WeakPolarHBondContact O-CB 3.35Å; L526-A530 PolarHBondContact O-N 3.01Å
527	I	56.5	Low	48.7	Very low	105 Å²	105	87.7 Å²	87.7	54%	0.538	47%	0.469	S	S	.	.	H	α-helix	trans	-67	-44.8	176.7	-71.2	166.2	0	0	0	110.9	A523 K524 A530 L531	A523-I527 WeakPolarHBondContact O-CB 3.27Å; A523-I527 WeakPolarHBondContact O-CD1 3.48Å; A523-I527 WeakPolarHBondContact O-CG1 3.37Å; A523-I527 PolarHBondContact O-N 3.29Å; K524-I527 PolarHBondContact O-N 2.88Å; I527-A530 PolarHBondContact O-N 3.49Å; I527-L531 HydrophobicContact CG2-CD1 4.03Å; I527-L531 WeakPolarHBondContact O-CG 3.16Å; I527-L531 PolarHBondContact O-N 3.48Å
528	V	58.5	Low	49.5	Very low	42 Å²	42	85.9 Å²	85.9	26%	0.255	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	169.9	0	0	0	0	110.6	K524 A530 L531 L532 I605	K524-V528 WeakPolarHBondContact O-CB 3.35Å; K524-V528 WeakPolarHBondContact O-CG2 3.21Å; K524-V528 PolarHBondContact O-N 3.36Å; V528-A530 PolarHBondContact O-N 2.69Å; V528-L531 PolarHBondContact O-N 3.44Å; V528-L532 HydrophobicContact CG1-CD1 3.86Å; V528-L532 HydrophobicContact CG1-CG 4.46Å; V528-L532 WeakPolarHBondContact O-CB 3.29Å; V528-L532 VanDerWaalsContact O-CG 3.31Å; V528-L532 WeakPolarHBondContact O-CG 3.48Å; V528-L532 PolarHBondContact O-N 2.91Å; V528-I605 HydrophobicContact CG1-CD1 3.9Å; V528-I605 HydrophobicContact CG2-CD1 4.35Å
529	S	53	Low	50.1	Low	60 Å²	60	83.3 Å²	83.3	42%	0.42	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-42.2	174.9	-62.7	0	0	0	0	112.3	D525 L526 L532 L533	D525-S529 WeakPolarHBondContact O-CB 3.18Å; D525-S529 PolarHBondContact O-N 3.31Å; D525-S529 PolarHBondContact O-OG 2.92Å; L526-S529 PolarHBondContact O-N 3.3Å; S529-L532 PolarHBondContact O-N 2.69Å; S529-L533 WeakPolarHBondContact O-CB 3.39Å; S529-L533 VanDerWaalsContact O-CG 3.31Å; S529-L533 WeakPolarHBondContact O-CG 3.35Å; S529-L533 PolarHBondContact O-N 3.06Å
530	A	50.1	Low	50.3	Low	43 Å²	43	83.3 Å²	83.3	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-43.7	176.7	0	0	0	0	0	111.9	L526 I527 V528 L533 I534	L526-A530 VanDerWaalsContact O-CB 3.32Å; L526-A530 WeakPolarHBondContact O-CB 3.35Å; L526-A530 PolarHBondContact O-N 3.01Å; I527-A530 PolarHBondContact O-N 3.49Å; V528-A530 PolarHBondContact O-N 2.69Å; A530-L533 PolarHBondContact O-N 2.86Å; A530-I534 WeakPolarHBondContact O-CB 3.44Å; A530-I534 WeakPolarHBondContact O-CD1 3.31Å; A530-I534 WeakPolarHBondContact O-CG1 3.39Å; A530-I534 PolarHBondContact O-N 2.92Å
531	L	50.9	Low	50.4	Low	39 Å²	39	81.2 Å²	81.2	20%	0.204	44%	0.441	C	S	.	.	H	α-helix	trans	-63.6	-40.4	176.4	-71.8	170.4	0	0	0	112	I527 V528 I534 Q535 I597 L600 L601	I527-L531 HydrophobicContact CG2-CD1 4.03Å; I527-L531 WeakPolarHBondContact O-CG 3.16Å; I527-L531 PolarHBondContact O-N 3.48Å; V528-L531 PolarHBondContact O-N 3.44Å; L531-I534 PolarHBondContact O-N 3.45Å; L531-Q535 VanDerWaalsContact O-CB 3.31Å; L531-Q535 WeakPolarHBondContact O-CB 3.39Å; L531-Q535 PolarHBondContact O-N 2.94Å; L531-I597 HydrophobicContact CB-CG2 4.4Å; L531-I597 HydrophobicContact CD2-CG2 4.39Å; L531-L600 HydrophobicContact CD1-CD2 4.31Å; L531-L601 HydrophobicContact CB-CD2 4.18Å; L531-L601 HydrophobicContact CD1-CD2 4.31Å
532	L	55.4	Low	50.1	Low	87 Å²	87	82.3 Å²	82.3	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-64.6	-42.7	174	-73.7	167.2	0	0	0	112.2	V528 S529 Q535 Y536 L601	V528-L532 HydrophobicContact CG1-CD1 3.86Å; V528-L532 HydrophobicContact CG1-CG 4.46Å; V528-L532 WeakPolarHBondContact O-CB 3.29Å; V528-L532 VanDerWaalsContact O-CG 3.31Å; V528-L532 WeakPolarHBondContact O-CG 3.48Å; V528-L532 PolarHBondContact O-N 2.91Å; S529-L532 PolarHBondContact O-N 2.69Å; L532-Q535 PolarHBondContact O-N 3.43Å; L532-Y536 WeakPolarHBondContact O-CB 3.35Å; L532-Y536 PolarHBondContact O-N 3.15Å; L532-L601 HydrophobicContact CD2-CD1 4.17Å
533	L	49.9	Very low	50	Low	103 Å²	103	84.2 Å²	84.2	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.3	-77.9	164.7	0	0	0	112	S529 A530 Y536 H537	S529-L533 WeakPolarHBondContact O-CB 3.39Å; S529-L533 VanDerWaalsContact O-CG 3.31Å; S529-L533 WeakPolarHBondContact O-CG 3.35Å; S529-L533 PolarHBondContact O-N 3.06Å; A530-L533 PolarHBondContact O-N 2.86Å; L533-Y536 PolarHBondContact O-N 2.87Å; L533-H537 PolarHBondContact O-CD2 3.45Å; L533-H537 PolarHBondContact O-N 3.23Å
534	I	53	Low	49.4	Very low	84 Å²	84	92.5 Å²	92.5	43%	0.431	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-44.7	175.4	-67.5	162.9	0	0	0	110.1	A530 L531 Y536 H537 L538 I597	A530-I534 WeakPolarHBondContact O-CB 3.44Å; A530-I534 WeakPolarHBondContact O-CD1 3.31Å; A530-I534 WeakPolarHBondContact O-CG1 3.39Å; A530-I534 PolarHBondContact O-N 2.92Å; L531-I534 PolarHBondContact O-N 3.45Å; I534-Y536 VanDerWaalsContact C-N 3.33Å; I534-Y536 PolarHBondContact O-N 2.89Å; I534-H537 PolarHBondContact O-N 3.22Å; I534-L538 HydrophobicContact CG2-CD1 3.82Å; I534-L538 HydrophobicContact CG2-CG 4.36Å; I534-L538 WeakPolarHBondContact O-CB 3.4Å; I534-L538 VanDerWaalsContact O-CG 3.27Å; I534-L538 WeakPolarHBondContact O-CG 3.3Å; I534-L538 PolarHBondContact O-N 3.01Å; I534-I597 HydrophobicContact CG2-CD1 3.65Å
535	Q	49.2	Very low	49	Very low	36 Å²	36	92.1 Å²	92.1	17%	0.168	49%	0.493	C	S	.	.	H	α-helix	trans	-60.1	-42.2	176.3	-170	179.7	20.3	0	0	111.9	L531 L532 L538 A539 F594 I597 L601	L531-Q535 VanDerWaalsContact O-CB 3.31Å; L531-Q535 WeakPolarHBondContact O-CB 3.39Å; L531-Q535 PolarHBondContact O-N 2.94Å; L532-Q535 PolarHBondContact O-N 3.43Å; Q535-L538 PolarHBondContact O-N 3.46Å; Q535-A539 WeakPolarHBondContact O-CB 3.22Å; Q535-A539 PolarHBondContact O-N 3.46Å; Q535-F594 HydrophobicContact CG-CD2 3.74Å; Q535-F594 HydrophobicContact CG-CE2 3.49Å; Q535-F594 VanDerWaalsContact CG-CE2 3.49Å; Q535-F594 HydrophobicContact CG-CZ 4.48Å; Q535-I597 HydrophobicContact CB-CG2 4.1Å; Q535-L601 VanDerWaalsContact OE1-CD1 3.3Å
536	Y	47.2	Very low	48.6	Very low	82 Å²	82	91.4 Å²	91.4	32%	0.322	50%	0.501	S	S	.	.	H	α-helix	trans	-63.3	-47.9	177	-175.3	-91.2	0	0	0	112.3	L532 L533 I534 L538 A539 Q540 F549	L532-Y536 WeakPolarHBondContact O-CB 3.35Å; L532-Y536 PolarHBondContact O-N 3.15Å; L533-Y536 PolarHBondContact O-N 2.87Å; I534-Y536 VanDerWaalsContact C-N 3.33Å; I534-Y536 PolarHBondContact O-N 2.89Å; Y536-L538 PolarHBondContact O-N 2.86Å; Y536-A539 PolarHBondContact O-N 3.42Å; Y536-Q540 VanDerWaalsContact CE2-NE2 3.34Å; Y536-Q540 PolarHBondContact O-N 2.77Å; Y536-Q540 VanDerWaalsContact O-N 3.14Å; Y536-Q540 PolarHBondContact OH-NE2 2.84Å; Y536-Q540 PolarHBondContact OH-OE1 2.91Å; Y536-F549 HydrophobicContact CE2-CD2 4.49Å
537	H	46.7	Very low	48	Very low	137 Å²	137	92.4 Å²	92.4	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-66.5	-34.4	177.8	-78.1	-57.8	0	0	0	113.2	L533 I534	L533-H537 PolarHBondContact O-CD2 3.45Å; L533-H537 PolarHBondContact O-N 3.23Å; I534-H537 PolarHBondContact O-N 3.22Å
538	L	50.9	Low	47.2	Very low	44 Å²	44	90.1 Å²	90.1	23%	0.23	50%	0.496	C	S	.	.	H	α-helix	trans	-67.6	-38.4	173	-72.9	170.7	0	0	0	112.1	I534 Q535 Y536 R590 F593 I597	I534-L538 HydrophobicContact CG2-CD1 3.82Å; I534-L538 HydrophobicContact CG2-CG 4.36Å; I534-L538 WeakPolarHBondContact O-CB 3.4Å; I534-L538 VanDerWaalsContact O-CG 3.27Å; I534-L538 WeakPolarHBondContact O-CG 3.3Å; I534-L538 PolarHBondContact O-N 3.01Å; Q535-L538 PolarHBondContact O-N 3.46Å; Y536-L538 PolarHBondContact O-N 2.86Å; L538-R590 HydrophobicContact CD2-CB 4.45Å; L538-R590 HydrophobicContact CD2-CG 4Å; L538-F593 HydrophobicContact CD1-CB 4.11Å; L538-I597 HydrophobicContact CD1-CD1 3.97Å
539	A	50.6	Low	46.3	Very low	63 Å²	63	94.4 Å²	94.4	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-71.6	-42	-177.4	0	0	0	0	0	114.2	Q535 Y536 F594	Q535-A539 WeakPolarHBondContact O-CB 3.22Å; Q535-A539 PolarHBondContact O-N 3.46Å; Y536-A539 PolarHBondContact O-N 3.42Å; A539-F594 HydrophobicContact CB-CD2 4.35Å; A539-F594 HydrophobicContact CB-CE2 3.84Å
540	Q	51.6	Low	45.7	Very low	92 Å²	92	98 Å²	98	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-92.5	-2.7	-165.3	-68.6	-157.2	-3.2	0	0	116.5	Y536 G542	Y536-Q540 VanDerWaalsContact CE2-NE2 3.34Å; Y536-Q540 PolarHBondContact O-N 2.77Å; Y536-Q540 VanDerWaalsContact O-N 3.14Å; Y536-Q540 PolarHBondContact OH-NE2 2.84Å; Y536-Q540 PolarHBondContact OH-OE1 2.91Å; Q540-G542 PolarHBondContact O-N 3.24Å
541	G	47.1	Very low	45.2	Very low	58 Å²	58	103.4 Å²	103.4	60%	0.598	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	11	167.5	0	0	0	0	0	117.2
542	G	43.7	Very low	44.7	Very low	73 Å²	73	105.2 Å²	105.2	75%	0.753	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.6	19.4	170.7	0	0	0	0	0	117.7	Q540	Q540-G542 PolarHBondContact O-N 3.24Å
543	R	38.5	Very low	43.7	Very low	226 Å²	226	104.8 Å²	104.8	85%	0.853	57%	0.573	S	S	*	*			trans	-147.3	101.8	168.7	-71.7	-169.7	-175	-103.8	3.8	114.6
544	R	36.3	Very low	43	Very low	219 Å²	219	102.8 Å²	102.8	83%	0.826	58%	0.577	S	S	*	*				180	-179.6	121.6	-99.8	176.4	-176.9	141.1	1.5	112.1
545	D	39.8	Very low	41.9	Very low	106 Å²	106	104.3 Å²	104.3	57%	0.567	59%	0.59	S	S	*	*			trans	-101.5	154.6	-153.6	43.5	-72.2	0	0	0	115.3	Q547 S548	D545-Q547 PolarHBondContact O-N 2.94Å; D545-S548 PolarHBondContact O-N 3.48Å; D545-S548 PolarHBondContact O-OG 2.86Å
546	A	40.4	Very low	41.1	Very low	91 Å²	91	108.6 Å²	108.6	75%	0.752	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-12.4	-162.9	0	0	0	0	0	116
547	Q	38.5	Very low	40.3	Very low	150 Å²	150	112.4 Å²	112.4	70%	0.701	65%	0.645	S	S	*	*	H	α-helix	trans	-67.6	-36.8	-179	-162.5	70.3	12.2	0	0	111.7	D545 F549 L550	D545-Q547 PolarHBondContact O-N 2.94Å; Q547-F549 VanDerWaalsContact C-N 3.27Å; Q547-F549 PolarHBondContact O-N 2.86Å; Q547-L550 PolarHBondContact O-N 3.44Å
548	S	40.2	Very low	39.4	Very low	58 Å²	58	115.3 Å²	115.3	41%	0.406	66%	0.656	S	S	.	*	H	α-helix	trans	-69	-22.7	-176.5	62.3	0	0	0	0	113.9	D545 L550 E551 A552	D545-S548 PolarHBondContact O-N 3.48Å; D545-S548 PolarHBondContact O-OG 2.86Å; S548-L550 VanDerWaalsContact C-N 3.34Å; S548-E551 PolarHBondContact O-N 2.75Å; S548-A552 PolarHBondContact O-N 3.13Å; S548-A552 VanDerWaalsContact O-N 3.16Å
549	F	38.8	Very low	38.9	Very low	132 Å²	132	119 Å²	119	58%	0.579	68%	0.683	S	S	*	*	H	α-helix	trans	-67.4	-35.8	179.4	-173.2	-92.5	0	0	0	112.1	Y536 Q547 E551 A553	Y536-F549 HydrophobicContact CE2-CD2 4.49Å; Q547-F549 VanDerWaalsContact C-N 3.27Å; Q547-F549 PolarHBondContact O-N 2.86Å; F549-E551 VanDerWaalsContact C-N 3.34Å; F549-A553 WeakPolarHBondContact O-CB 3.31Å; F549-A553 PolarHBondContact O-N 3.32Å
550	L	41.1	Very low	37.6	Very low	135 Å²	135	120.8 Å²	120.8	71%	0.707	70%	0.698	S	S	*	*	H	α-helix	trans	-71.4	-31.2	-179.7	-162.6	71.3	0	0	0	112.2	Q547 S548	Q547-L550 PolarHBondContact O-N 3.44Å; S548-L550 VanDerWaalsContact C-N 3.34Å
551	E	39.8	Very low	36.4	Very low	156 Å²	156	123.8 Å²	123.8	73%	0.729	72%	0.717	S	S	*	*	H	α-helix	trans	-79.9	-39.9	-179.2	-161.8	164.3	-135.7	0	0	111.6	S548 F549 A553 G554	S548-E551 PolarHBondContact O-N 2.75Å; F549-E551 VanDerWaalsContact C-N 3.34Å; E551-A553 VanDerWaalsContact C-N 3.34Å; E551-A553 PolarHBondContact O-N 2.89Å; E551-G554 PolarHBondContact O-N 3.43Å
552	A	40.4	Very low	35.3	Very low	77 Å²	77	129.8 Å²	129.8	64%	0.636	73%	0.729	S	S	*	*	H	α-helix	trans	-67.7	-30	174.8	0	0	0	0	0	113.6	S548 G554	S548-A552 PolarHBondContact O-N 3.13Å; S548-A552 VanDerWaalsContact O-N 3.16Å; A552-G554 VanDerWaalsContact C-N 3.27Å; A552-G554 PolarHBondContact O-N 3.38Å
553	A	34.8	Very low	34.6	Very low	79 Å²	79	131.4 Å²	131.4	65%	0.653	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-9.2	175.8	0	0	0	0	0	113.7	F549 E551	F549-A553 WeakPolarHBondContact O-CB 3.31Å; F549-A553 PolarHBondContact O-N 3.32Å; E551-A553 VanDerWaalsContact C-N 3.34Å; E551-A553 PolarHBondContact O-N 2.89Å
554	G	34.1	Very low	34.5	Very low	60 Å²	60	126.8 Å²	126.8	62%	0.619	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-5.6	-172.5	0	0	0	0	0	116.2	E551 A552	E551-G554 PolarHBondContact O-N 3.43Å; A552-G554 VanDerWaalsContact C-N 3.27Å; A552-G554 PolarHBondContact O-N 3.38Å
555	T	30.3	Very low	34	Very low	116 Å²	116	123 Å²	123	71%	0.712	73%	0.727	S	S	*	*			trans	-123.1	89.1	-168.7	47.2	0	0	0	0	113.8
556	T	33	Very low	33.4	Very low	127 Å²	127	123.9 Å²	123.9	78%	0.779	74%	0.736	S	S	*	*			trans	-86	119.8	163.5	51.9	0	0	0	0	110.7
557	N	29.2	Very low	32.8	Very low	162 Å²	162	125.4 Å²	125.4	87%	0.866	74%	0.738	S	S	*	*			trans	176	161.5	143.8	-94.4	-49.7	0	0	0	111.7
558	F	28.4	Very low	32.1	Very low	197 Å²	197	125.9 Å²	125.9	86%	0.864	75%	0.745	S	S	*	*			trans	-79.6	161.8	-173.2	-82.2	-85.5	0	0	0	114.5
559	P	39.9	Very low	31.6	Very low	123 Å²	123	127.4 Å²	127.4	80%	0.799	76%	0.761	S	S	*	*			trans	-85.9	166.8	-166.7	35	-37.4	0	0	0	115.3
560	A	24.5	Very low	30.9	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	78%	0.776	S	S	*	*			trans	-131.5	166	168.5	0	0	0	0	0	110.9
561	N	25.8	Very low	30.1	Very low	154 Å²	154	125.3 Å²	125.3	82%	0.824	77%	0.773	S	S	*	*			trans	-90.7	149.7	-156.6	-59.8	-41.9	0	0	0	116.8
562	E	24.5	Very low	29.4	Very low	184 Å²	184	126.4 Å²	126.4	86%	0.86	78%	0.783	S	S	*	*			trans	61.3	166.5	151.1	-74.8	-171.2	151.9	0	0	120.1
563	P	28.8	Very low	28.6	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	79%	0.792	S	S	*	*			cis	-119.8	179.8	-19.2	18.2	6.1	0	0	0	112.3
564	P	35.4	Very low	28.1	Very low	128 Å²	128	134 Å²	134	83%	0.831	80%	0.802	S	S	*	*			trans	-84.5	152.4	-172.2	33.4	-36.4	0	0	0	115.3
565	V	25.3	Very low	27.7	Very low	141 Å²	141	135.6 Å²	135.6	86%	0.855	81%	0.81	S	S	*	*			trans	-126.1	140.3	168.7	179.1	0	0	0	0	110
566	V	27.2	Very low	28.1	Very low	124 Å²	124	135.5 Å²	135.5	75%	0.752	81%	0.812	S	S	*	*			trans	-79.6	137	-169.7	-179.5	0	0	0	0	112.1	D568	V566-D568 PolarHBondContact O-N 3.35Å
567	P	29	Very low	27.8	Very low	123 Å²	123	137.3 Å²	137.3	80%	0.799	82%	0.815	S	S	*	*			trans	-78.6	105.6	163.4	31.5	-30.7	0	0	0	109.8
568	D	23.7	Very low	28.1	Very low	159 Å²	159	136.5 Å²	136.5	85%	0.85	82%	0.815	S	S	*	*			trans	-73.9	151	179.1	-158.9	2.3	0	0	0	112.2	V566	V566-D568 PolarHBondContact O-N 3.35Å
569	A	28.7	Very low	28.2	Very low	90 Å²	90	129.8 Å²	129.8	74%	0.744	80%	0.801	S	S	*	*			trans	-98.4	129.3	-164.9	0	0	0	0	0	113.3
570	S	26.1	Very low	28	Very low	128 Å²	128	129.8 Å²	129.8	90%	0.895	80%	0.795	S	S	*	*			trans	-136	131.8	152.1	60.6	0	0	0	0	110.2
571	C	23.1	Very low	28.6	Very low	95 Å²	95	131.7 Å²	131.7	64%	0.642	79%	0.787	S	S	*	*			trans	-133.7	130	-170.2	174.7	0	0	0	0	109.6
572	L	25.2	Very low	29.2	Very low	180 Å²	180	130.4 Å²	130.4	94%	0.942	78%	0.776	S	S	*	*			trans	-128.5	144.9	154.6	-76.7	179.9	0	0	0	109.5
573	K	23.9	Very low	29.7	Very low	191 Å²	191	126.9 Å²	126.9	83%	0.83	76%	0.759	S	S	*	*			trans	-110.8	144.8	-157.6	-58.3	170.7	-179.9	175.3	0	111.9
574	S	24.6	Very low	30	Very low	123 Å²	123	124 Å²	124	86%	0.86	74%	0.744	S	S	*	*			trans	-145.9	148.1	135.5	61.1	0	0	0	0	109.4
575	A	25.3	Very low	30.3	Very low	94 Å²	94	123.2 Å²	123.2	78%	0.777	73%	0.73	S	S	*	*			trans	-168.8	173.2	-173.8	0	0	0	0	0	108.5
576	P	39	Very low	31.1	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	71%	0.714	S	S	*	*			cis	-123	169.4	-48.8	37.2	-26.4	0	0	0	110.5
577	I	26.5	Very low	32	Very low	165 Å²	165	122.4 Å²	122.4	85%	0.846	70%	0.704	S	S	*	*			trans	-153.2	123.1	156.5	-97.6	131.5	0	0	0	110.2
578	V	34.5	Very low	32.9	Very low	144 Å²	144	121.7 Å²	121.7	87%	0.873	69%	0.694	S	S	*	*	S	Bend	trans	23.8	107.6	154.5	-168.8	0	0	0	0	118.1
579	G	31.3	Very low	34.3	Very low	56 Å²	56	118.8 Å²	118.8	58%	0.577	68%	0.678	S	S	*	*			trans	-176.3	3.4	166.7	0	0	0	0	0	117.7
580	D	35.5	Very low	35.2	Very low	124 Å²	124	121 Å²	121	66%	0.663	67%	0.667	S	S	*	*			trans	-88	-13.6	-161.4	-85	-53.1	0	0	0	117.4	E582 Q583 A584	D580-E582 PolarHBondContact O-N 3.04Å; D580-Q583 PolarHBondContact O-N 3.06Å; D580-A584 PolarHBondContact O-N 3.19Å
581	Q	36.8	Very low	36.1	Very low	140 Å²	140	117.4 Å²	117.4	65%	0.654	64%	0.642	S	S	*	*	H	α-helix	trans	-59.7	-52	-177.7	-167.6	71.1	33.1	0	0	111.7	Q583 A584 E585	Q581-Q583 VanDerWaalsContact C-N 3.27Å; Q581-Q583 PolarHBondContact O-N 2.91Å; Q581-A584 PolarHBondContact O-N 2.92Å; Q581-A584 VanDerWaalsContact O-N 3.16Å; Q581-E585 PolarHBondContact NE2-OE1 2.87Å; Q581-E585 PolarHBondContact O-N 2.93Å
582	E	38.8	Very low	37.6	Very low	126 Å²	126	117.2 Å²	117.2	59%	0.589	64%	0.638	S	S	*	*	H	α-helix	trans	-69.7	-22.6	-176.4	-153	-157.9	133.4	0	0	113.1	D580 K586	D580-E582 PolarHBondContact O-N 3.04Å; E582-K586 WeakPolarHBondContact O-CB 3.33Å; E582-K586 WeakPolarHBondContact O-CG 3.17Å; E582-K586 PolarHBondContact O-N 2.93Å; E582-K586 IonicContact OE1-NZ 3.88Å; E582-K586 PolarHBondContact OE1-NZ 3.2Å
583	Q	35.2	Very low	38.9	Very low	110 Å²	110	110.9 Å²	110.9	51%	0.514	60%	0.603	S	S	.	*	H	α-helix	trans	-82	-29.5	172.6	-83.7	-149.1	31.7	0	0	113.4	D580 Q581 K587	D580-Q583 PolarHBondContact O-N 3.06Å; Q581-Q583 VanDerWaalsContact C-N 3.27Å; Q581-Q583 PolarHBondContact O-N 2.91Å; Q583-K587 VanDerWaalsContact O-CG 3.32Å; Q583-K587 WeakPolarHBondContact O-CG 3.39Å; Q583-K587 PolarHBondContact O-N 3.06Å; Q583-K587 VanDerWaalsContact O-N 3.1Å
584	A	36.1	Very low	40.2	Very low	47 Å²	47	104.7 Å²	104.7	39%	0.388	58%	0.576	S	S	.	*	H	α-helix	trans	-65.3	-52	175.6	0	0	0	0	0	110.4	D580 Q581 K586 K587 D588	D580-A584 PolarHBondContact O-N 3.19Å; Q581-A584 PolarHBondContact O-N 2.92Å; Q581-A584 VanDerWaalsContact O-N 3.16Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 2.87Å; A584-K587 WeakPolarHBondContact O-CA 3.47Å; A584-K587 WeakPolarHBondContact O-CB 3.36Å; A584-K587 PolarHBondContact O-N 2.79Å; A584-D588 PolarHBondContact O-N 3.33Å
585	E	40.1	Very low	41.5	Very low	113 Å²	113	101.3 Å²	101.3	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-37.7	179.9	-69.3	161.1	-157.7	0	0	112	Q581 K587 D588 L589	Q581-E585 PolarHBondContact NE2-OE1 2.87Å; Q581-E585 PolarHBondContact O-N 2.93Å; E585-K587 VanDerWaalsContact C-N 3.31Å; E585-K587 PolarHBondContact O-N 3.5Å; E585-D588 PolarHBondContact O-N 3.04Å; E585-L589 WeakPolarHBondContact O-CB 3.3Å; E585-L589 PolarHBondContact O-N 2.98Å
586	K	42.9	Very low	43	Very low	119 Å²	119	101.4 Å²	101.4	52%	0.517	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-23.6	171.5	-82.9	171.8	176.4	163.4	0	114.2	E582 A584 R590	E582-K586 WeakPolarHBondContact O-CB 3.33Å; E582-K586 WeakPolarHBondContact O-CG 3.17Å; E582-K586 PolarHBondContact O-N 2.93Å; E582-K586 IonicContact OE1-NZ 3.88Å; E582-K586 PolarHBondContact OE1-NZ 3.2Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 PolarHBondContact O-N 2.87Å; K586-R590 WeakPolarHBondContact O-CD 3.16Å; K586-R590 VanDerWaalsContact O-CG 3.24Å; K586-R590 WeakPolarHBondContact O-CG 3.46Å
587	K	46.8	Very low	43.7	Very low	128 Å²	128	96.7 Å²	96.7	56%	0.557	50%	0.5	S	S	*	.	H	α-helix	trans	-80.7	-44.9	172.1	-78.7	167.4	-177.6	160.6	0	111.2	Q583 A584 E585 R590 S591	Q583-K587 VanDerWaalsContact O-CG 3.32Å; Q583-K587 WeakPolarHBondContact O-CG 3.39Å; Q583-K587 PolarHBondContact O-N 3.06Å; Q583-K587 VanDerWaalsContact O-N 3.1Å; A584-K587 WeakPolarHBondContact O-CA 3.47Å; A584-K587 WeakPolarHBondContact O-CB 3.36Å; A584-K587 PolarHBondContact O-N 2.79Å; E585-K587 VanDerWaalsContact C-N 3.31Å; E585-K587 PolarHBondContact O-N 3.5Å; K587-R590 PolarHBondContact O-N 3.05Å; K587-S591 WeakPolarHBondContact O-CB 3.22Å; K587-S591 PolarHBondContact O-N 3.27Å
588	D	47.8	Very low	44.9	Very low	109 Å²	109	94.2 Å²	94.2	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-44.4	178.1	-86.4	-21.4	0	0	0	111.9	A584 E585 R590 S591 V592	A584-D588 PolarHBondContact O-N 3.33Å; E585-D588 PolarHBondContact O-N 3.04Å; D588-R590 VanDerWaalsContact C-N 3.3Å; D588-R590 PolarHBondContact O-N 2.89Å; D588-S591 CarbonylContact O-C 3.56Å; D588-S591 WeakPolarHBondContact O-CA 3.46Å; D588-S591 WeakPolarHBondContact O-CB 3.23Å; D588-S591 PolarHBondContact O-N 3.15Å; D588-V592 WeakPolarHBondContact O-CG2 3.47Å; D588-V592 PolarHBondContact O-N 3.01Å
589	L	52.8	Low	45.7	Very low	97 Å²	97	91.2 Å²	91.2	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-38.7	177.2	-170.5	61.2	0	0	0	111.9	E585 V592 F593	E585-L589 WeakPolarHBondContact O-CB 3.3Å; E585-L589 PolarHBondContact O-N 2.98Å; L589-V592 PolarHBondContact O-N 3.23Å; L589-F593 HydrophobicContact CD1-CD2 4.05Å; L589-F593 HydrophobicContact CD1-CE2 3.53Å; L589-F593 HydrophobicContact CD1-CZ 4.27Å; L589-F593 HydrophobicContact CD2-CE2 4.28Å; L589-F593 HydrophobicContact CG-CD2 3.96Å; L589-F593 HydrophobicContact CG-CE2 3.67Å; L589-F593 WeakPolarHBondContact O-CD2 3.31Å; L589-F593 PolarHBondContact O-N 2.81Å
590	R	46	Very low	46.7	Very low	136 Å²	136	90.4 Å²	90.4	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-39.6	171.9	-76	179.8	175.5	-166.6	-0.6	112.4	L538 K586 K587 D588 F594	L538-R590 HydrophobicContact CD2-CB 4.45Å; L538-R590 HydrophobicContact CD2-CG 4Å; K586-R590 WeakPolarHBondContact O-CD 3.16Å; K586-R590 VanDerWaalsContact O-CG 3.24Å; K586-R590 WeakPolarHBondContact O-CG 3.46Å; K587-R590 PolarHBondContact O-N 3.05Å; D588-R590 VanDerWaalsContact C-N 3.3Å; D588-R590 PolarHBondContact O-N 2.89Å; R590-F594 WeakPolarHBondContact O-CB 3.43Å; R590-F594 PolarHBondContact O-N 3.3Å
591	S	46.6	Very low	47.5	Very low	54 Å²	54	85.1 Å²	85.1	38%	0.378	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.3	-177.2	0	0	0	0	111.4	K587 D588 F594 N595	K587-S591 WeakPolarHBondContact O-CB 3.22Å; K587-S591 PolarHBondContact O-N 3.27Å; D588-S591 CarbonylContact O-C 3.56Å; D588-S591 WeakPolarHBondContact O-CA 3.46Å; D588-S591 WeakPolarHBondContact O-CB 3.23Å; D588-S591 PolarHBondContact O-N 3.15Å; S591-F594 PolarHBondContact O-N 3Å; S591-N595 WeakPolarHBondContact O-CB 3.41Å; S591-N595 PolarHBondContact O-N 2.83Å; S591-N595 PolarHBondContact O-ND2 2.89Å; S591-N595 PolarHBondContact OG-ND2 3.27Å
592	V	53.9	Low	48	Very low	91 Å²	91	81 Å²	81	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-62.2	-49.7	177.2	170.6	0	0	0	0	110.6	D588 L589 F594 N595 F596	D588-V592 WeakPolarHBondContact O-CG2 3.47Å; D588-V592 PolarHBondContact O-N 3.01Å; L589-V592 PolarHBondContact O-N 3.23Å; V592-F594 PolarHBondContact O-N 2.87Å; V592-N595 PolarHBondContact O-N 3.07Å; V592-F596 VanDerWaalsContact O-CB 3.3Å; V592-F596 WeakPolarHBondContact O-CB 3.31Å; V592-F596 PolarHBondContact O-N 2.88Å
593	F	52.1	Low	48.5	Very low	46 Å²	46	80.8 Å²	80.8	20%	0.202	40%	0.398	C	S	.	.	H	α-helix	trans	-64.2	-39.9	176.5	-76.7	-58.3	0	0	0	113	L538 L589 F596 I597 L679 I683	L538-F593 HydrophobicContact CD1-CB 4.11Å; L589-F593 HydrophobicContact CD1-CD2 4.05Å; L589-F593 HydrophobicContact CD1-CE2 3.53Å; L589-F593 HydrophobicContact CD1-CZ 4.27Å; L589-F593 HydrophobicContact CD2-CE2 4.28Å; L589-F593 HydrophobicContact CG-CD2 3.96Å; L589-F593 HydrophobicContact CG-CE2 3.67Å; L589-F593 WeakPolarHBondContact O-CD2 3.31Å; L589-F593 PolarHBondContact O-N 2.81Å; F593-F596 PolarHBondContact O-N 3.35Å; F593-I597 WeakPolarHBondContact O-CB 3.31Å; F593-I597 VanDerWaalsContact O-CG1 3.3Å; F593-I597 WeakPolarHBondContact O-CG1 3.4Å; F593-I597 PolarHBondContact O-N 2.91Å; F593-L679 HydrophobicContact CE1-CD1 4.08Å; F593-L679 HydrophobicContact CE1-CD2 4.16Å; F593-L679 HydrophobicContact CE1-CG 4.2Å; F593-I683 HydrophobicContact CE1-CD1 3.96Å; F593-I683 HydrophobicContact CE1-CG1 4.34Å; F593-I683 HydrophobicContact CE2-CG1 4.5Å; F593-I683 HydrophobicContact CZ-CD1 3.7Å; F593-I683 HydrophobicContact CZ-CG1 3.67Å
594	F	52.4	Low	49.2	Very low	62 Å²	62	79.1 Å²	79.1	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176.8	178.6	-97.2	0	0	0	112	Q535 A539 R590 S591 V592 R598	Q535-F594 HydrophobicContact CG-CD2 3.74Å; Q535-F594 HydrophobicContact CG-CE2 3.49Å; Q535-F594 VanDerWaalsContact CG-CE2 3.49Å; Q535-F594 HydrophobicContact CG-CZ 4.48Å; A539-F594 HydrophobicContact CB-CD2 4.35Å; A539-F594 HydrophobicContact CB-CE2 3.84Å; R590-F594 WeakPolarHBondContact O-CB 3.43Å; R590-F594 PolarHBondContact O-N 3.3Å; S591-F594 PolarHBondContact O-N 3Å; V592-F594 PolarHBondContact O-N 2.87Å; F594-R598 VanDerWaalsContact O-CB 3.23Å; F594-R598 WeakPolarHBondContact O-CB 3.44Å; F594-R598 PolarHBondContact O-N 3.41Å
595	N	51.3	Low	49.7	Very low	52 Å²	52	80 Å²	80	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-67.6	-39	175.9	-77.1	-70.7	0	0	0	111.9	S591 V592 R598 N599	S591-N595 WeakPolarHBondContact O-CB 3.41Å; S591-N595 PolarHBondContact O-N 2.83Å; S591-N595 PolarHBondContact O-ND2 2.89Å; S591-N595 PolarHBondContact OG-ND2 3.27Å; V592-N595 PolarHBondContact O-N 3.07Å; N595-R598 PolarHBondContact O-N 3.48Å; N595-R598 PolarHBondContact OD1-NH1 3.4Å; N595-R598 PolarHBondContact OD1-NH2 2.93Å; N595-N599 WeakPolarHBondContact O-CB 3.38Å; N595-N599 PolarHBondContact O-N 2.96Å; N595-N599 PolarHBondContact O-OD1 3.45Å
596	F	56.1	Low	49.6	Very low	96 Å²	96	82.7 Å²	82.7	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-61.3	-50.1	175.6	-179.1	-100.9	0	0	0	111.7	V592 F593 N599 L600 L679	V592-F596 VanDerWaalsContact O-CB 3.3Å; V592-F596 WeakPolarHBondContact O-CB 3.31Å; V592-F596 PolarHBondContact O-N 2.88Å; F593-F596 PolarHBondContact O-N 3.35Å; F596-N599 PolarHBondContact O-N 3.49Å; F596-L600 WeakPolarHBondContact O-CB 3.34Å; F596-L600 PolarHBondContact O-N 2.93Å; F596-L679 HydrophobicContact CD1-CD2 4.16Å; F596-L679 HydrophobicContact CE1-CD2 3.67Å; F596-L679 HydrophobicContact CZ-CD2 4.31Å
597	I	55	Low	49.4	Very low	16 Å²	16	84.4 Å²	84.4	8%	0.082	41%	0.411	C	S	.	.	H	α-helix	trans	-64.4	-42.3	178.1	-66.5	166.7	0	0	0	111	L531 I534 Q535 L538 F593 N599 L600 L601	L531-I597 HydrophobicContact CB-CG2 4.4Å; L531-I597 HydrophobicContact CD2-CG2 4.39Å; I534-I597 HydrophobicContact CG2-CD1 3.65Å; Q535-I597 HydrophobicContact CB-CG2 4.1Å; L538-I597 HydrophobicContact CD1-CD1 3.97Å; F593-I597 WeakPolarHBondContact O-CB 3.31Å; F593-I597 VanDerWaalsContact O-CG1 3.3Å; F593-I597 WeakPolarHBondContact O-CG1 3.4Å; F593-I597 PolarHBondContact O-N 2.91Å; I597-N599 VanDerWaalsContact C-N 3.34Å; I597-N599 PolarHBondContact O-N 3.46Å; I597-L600 PolarHBondContact O-N 3.12Å; I597-L601 HydrophobicContact CG2-CD1 3.85Å; I597-L601 HydrophobicContact CG2-CG 4.41Å; I597-L601 WeakPolarHBondContact O-CG 3.36Å; I597-L601 PolarHBondContact O-N 2.81Å
598	R	50.2	Low	48.5	Very low	112 Å²	112	87.6 Å²	87.6	42%	0.423	42%	0.419	S	S	.	.	H	α-helix	trans	-58.7	-44.9	175.5	-172.6	-167	69.3	-155.5	-10	111.7	F594 N595 S602	F594-R598 VanDerWaalsContact O-CB 3.23Å; F594-R598 WeakPolarHBondContact O-CB 3.44Å; F594-R598 PolarHBondContact O-N 3.41Å; N595-R598 PolarHBondContact O-N 3.48Å; N595-R598 PolarHBondContact OD1-NH1 3.4Å; N595-R598 PolarHBondContact OD1-NH2 2.93Å; R598-S602 WeakPolarHBondContact O-CB 3.49Å; R598-S602 PolarHBondContact O-N 3.45Å; R598-S602 PolarHBondContact O-OG 3.47Å
599	N	51.9	Low	47.7	Very low	81 Å²	81	89.2 Å²	89.2	43%	0.433	43%	0.428	S	S	.	.	H	α-helix	trans	-65.4	-44.8	178.7	-69.8	7.2	0	0	0	110.6	N595 F596 I597 L601 S602 E603	N595-N599 WeakPolarHBondContact O-CB 3.38Å; N595-N599 PolarHBondContact O-N 2.96Å; N595-N599 PolarHBondContact O-OD1 3.45Å; F596-N599 PolarHBondContact O-N 3.49Å; I597-N599 VanDerWaalsContact C-N 3.34Å; I597-N599 PolarHBondContact O-N 3.46Å; N599-L601 VanDerWaalsContact C-N 3.35Å; N599-L601 PolarHBondContact O-N 3.32Å; N599-S602 WeakPolarHBondContact CA-OG 3.3Å; N599-S602 PolarHBondContact O-N 2.92Å; N599-S602 VanDerWaalsContact O-N 3.11Å; N599-S602 PolarHBondContact O-OG 3.32Å; N599-E603 PolarHBondContact O-N 3.32Å
600	L	52.1	Low	46.7	Very low	40 Å²	40	94 Å²	94	21%	0.209	45%	0.448	C	S	.	.	H	α-helix	trans	-57	-45.1	177.3	-154.1	81.3	0	0	0	112.3	L531 F596 I597 T604 L672	L531-L600 HydrophobicContact CD1-CD2 4.31Å; F596-L600 WeakPolarHBondContact O-CB 3.34Å; F596-L600 PolarHBondContact O-N 2.93Å; I597-L600 PolarHBondContact O-N 3.12Å; L600-T604 WeakPolarHBondContact O-CB 3.39Å; L600-T604 WeakPolarHBondContact O-CG2 3.31Å; L600-T604 PolarHBondContact O-N 3.25Å; L600-T604 VanDerWaalsContact O-N 3.15Å; L600-T604 PolarHBondContact O-OG1 2.81Å; L600-L672 HydrophobicContact CD1-CD1 4.16Å
601	L	52.2	Low	45.8	Very low	13 Å²	13	92.4 Å²	92.4	7%	0.068	46%	0.458	C	S	.	.	H	α-helix	trans	-67.9	-37.4	175.7	-68.9	168.6	0	0	0	112.2	L531 L532 Q535 I597 N599 E603 I605	L531-L601 HydrophobicContact CB-CD2 4.18Å; L531-L601 HydrophobicContact CD1-CD2 4.31Å; L532-L601 HydrophobicContact CD2-CD1 4.17Å; Q535-L601 VanDerWaalsContact OE1-CD1 3.3Å; I597-L601 HydrophobicContact CG2-CD1 3.85Å; I597-L601 HydrophobicContact CG2-CG 4.41Å; I597-L601 WeakPolarHBondContact O-CG 3.36Å; I597-L601 PolarHBondContact O-N 2.81Å; N599-L601 VanDerWaalsContact C-N 3.35Å; N599-L601 PolarHBondContact O-N 3.32Å; L601-E603 PolarHBondContact O-N 3.16Å; L601-I605 HydrophobicContact CD2-CD1 3.88Å; L601-I605 WeakPolarHBondContact O-CB 3.37Å; L601-I605 PolarHBondContact O-N 3.18Å
602	S	47.8	Very low	44.9	Very low	53 Å²	53	95.3 Å²	95.3	37%	0.371	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-36.1	178.6	74	0	0	0	0	113.3	R598 N599 F606	R598-S602 WeakPolarHBondContact O-CB 3.49Å; R598-S602 PolarHBondContact O-N 3.45Å; R598-S602 PolarHBondContact O-OG 3.47Å; N599-S602 WeakPolarHBondContact CA-OG 3.3Å; N599-S602 PolarHBondContact O-N 2.92Å; N599-S602 VanDerWaalsContact O-N 3.11Å; N599-S602 PolarHBondContact O-OG 3.32Å; S602-F606 PolarHBondContact O-N 3.39Å
603	E	49.3	Very low	43.5	Very low	121 Å²	121	99.8 Å²	99.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-82.5	-31	178.2	-64.5	-148.7	99.7	0	0	113.4	N599 L601 K607	N599-E603 PolarHBondContact O-N 3.32Å; L601-E603 PolarHBondContact O-N 3.16Å; E603-K607 IonicContact OE1-NZ 3.88Å; E603-K607 PolarHBondContact OE1-NZ 2.85Å
604	T	49.2	Very low	42.3	Very low	75 Å²	75	103.6 Å²	103.6	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-84.3	-28.5	-177.7	50.8	0	0	0	0	114.1	L600	L600-T604 WeakPolarHBondContact O-CB 3.39Å; L600-T604 WeakPolarHBondContact O-CG2 3.31Å; L600-T604 PolarHBondContact O-N 3.25Å; L600-T604 VanDerWaalsContact O-N 3.15Å; L600-T604 PolarHBondContact O-OG1 2.81Å
605	I	47.2	Very low	41	Very low	67 Å²	67	110.4 Å²	110.4	34%	0.344	55%	0.552	S	S	.	*	H	α-helix	trans	-107.4	-48.2	-175	-55.6	178.9	0	0	0	111.7	V528 L601 K607	V528-I605 HydrophobicContact CG1-CD1 3.9Å; V528-I605 HydrophobicContact CG2-CD1 4.35Å; L601-I605 HydrophobicContact CD2-CD1 3.88Å; L601-I605 WeakPolarHBondContact O-CB 3.37Å; L601-I605 PolarHBondContact O-N 3.18Å; I605-K607 PolarHBondContact O-N 2.95Å
606	F	38.3	Very low	40	Very low	168 Å²	168	114 Å²	114	74%	0.737	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	9	-166.7	-75.1	-79.9	0	0	0	116.2	S602	S602-F606 PolarHBondContact O-N 3.39Å
607	K	37.7	Very low	38.7	Very low	156 Å²	156	115.3 Å²	115.3	68%	0.678	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	7.6	176.4	-92.9	-177.3	179	174.1	0	115.2	E603 I605	E603-K607 IonicContact OE1-NZ 3.88Å; E603-K607 PolarHBondContact OE1-NZ 2.85Å; I605-K607 PolarHBondContact O-N 2.95Å
608	R	29.9	Very low	37.4	Very low	194 Å²	194	123.3 Å²	123.3	73%	0.732	63%	0.631	S	S	*	*	S	Bend	trans	-94.5	-33.3	179.4	-175.9	165	-78.3	115.1	-1.6	114.4	Q610	R608-Q610 VanDerWaalsContact C-N 3.31Å; R608-Q610 PolarHBondContact O-N 2.88Å
609	D	29.5	Very low	36.1	Very low	143 Å²	143	127 Å²	127	77%	0.765	65%	0.653	S	S	*	*	S	Bend	trans	-85.9	61.9	-169.9	-65.5	-17.1	0	0	0	113.5
610	Q	32	Very low	35.3	Very low	197 Å²	197	128.8 Å²	128.8	92%	0.921	67%	0.668	S	S	*	*	S	Bend	trans	-156.5	39	164.5	-133.6	157.7	109.8	0	0	116.2	R608	R608-Q610 VanDerWaalsContact C-N 3.31Å; R608-Q610 PolarHBondContact O-N 2.88Å
611	S	28.5	Very low	33.9	Very low	104 Å²	104	133 Å²	133	73%	0.727	70%	0.696	S	S	*	*	S	Bend	trans	-146.8	143.1	168.3	62.7	0	0	0	0	114
612	S	25.7	Very low	32.6	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	73%	0.728	S	S	*	*			trans	68.1	86.5	174.6	71.2	0	0	0	0	118.9
613	E	25.4	Very low	31.6	Very low	186 Å²	186	145.9 Å²	145.9	87%	0.869	75%	0.747	S	S	*	*			trans	-64.2	147.9	136.1	-73.1	-174.8	120.8	0	0	109.9	K615	E613-K615 PolarHBondContact O-N 3.43Å
614	P	27.6	Very low	30.3	Very low	126 Å²	126	146 Å²	146	82%	0.818	75%	0.751	S	S	*	*			trans	-80.3	112.5	-175	30.8	-34.1	0	0	0	112.6
615	K	24.1	Very low	29.1	Very low	205 Å²	205	151.6 Å²	151.6	89%	0.891	76%	0.764	S	S	*	*			trans	-88.2	114.7	164.4	-85.2	-173.2	174.2	178.5	0	111.3	E613	E613-K615 PolarHBondContact O-N 3.43Å
616	V	30.2	Very low	27.9	Very low	127 Å²	127	156.6 Å²	156.6	77%	0.77	78%	0.783	S	S	*	*			trans	-66.8	134.2	166.9	178.7	0	0	0	0	109.7
617	P	28.8	Very low	27.2	Very low	123 Å²	123	155.1 Å²	155.1	80%	0.799	78%	0.782	S	S	*	*			trans	-91.4	111.7	168.2	31.5	-26.2	0	0	0	110.8
618	E	26.9	Very low	26.5	Very low	185 Å²	185	152.5 Å²	152.5	86%	0.864	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-86.2	152	168.2	-74.3	-167.3	131.8	0	0	112.3
619	Q	23.9	Very low	26.2	Very low	190 Å²	190	152.1 Å²	152.1	89%	0.888	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-97	158.6	162.7	-93.2	-166.5	-4.4	0	0	110.8
620	P	34.3	Very low	25.7	Very low	117 Å²	117	156.1 Å²	156.1	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93.4	155.8	-148.8	35.1	-37.6	0	0	0	115.4
621	V	22.7	Very low	25.8	Very low	130 Å²	130	151.2 Å²	151.2	79%	0.788	78%	0.779	S	S	*	*			trans	-164.6	128.9	138.1	126.6	0	0	0	0	113.1
622	K	26.1	Very low	25.5	Very low	169 Å²	169	154.3 Å²	154.3	74%	0.735	79%	0.787	S	S	*	*			trans	65.3	133.6	159.1	-70	178.6	177	-172.8	0	122.9
623	E	25.6	Very low	25.5	Very low	167 Å²	167	153 Å²	153	78%	0.78	78%	0.783	S	S	*	*				38	135.2	127.1	-54.9	167.3	126.4	0	0	119.3
624	D	23.2	Very low	25.5	Very low	123 Å²	123	150.3 Å²	150.3	66%	0.658	78%	0.781	S	S	*	*			cis	-160	164.9	22.4	-165.1	14.4	0	0	0	113.7
625	R	22.6	Very low	25.4	Very low	193 Å²	193	149.3 Å²	149.3	73%	0.728	78%	0.777	S	S	*	*			trans	58.3	116.6	155	-80.7	162.3	-163.2	-153.7	-6	124.5
626	K	23	Very low	26	Very low	171 Å²	171	145 Å²	145	74%	0.743	77%	0.77	S	S	*	*				99.5	113.3	120	-77.3	-176.8	169.3	-165.2	0	123.8
627	L	24.2	Very low	26	Very low	137 Å²	137	144.4 Å²	144.4	72%	0.717	77%	0.769	S	S	*	*				76.5	118.4	124.7	-63.3	170.5	0	0	0	123.5
628	C	22.7	Very low	26.1	Very low	102 Å²	102	148.3 Å²	148.3	69%	0.689	77%	0.773	S	S	*	*			trans	72	150	134.9	-63.7	0	0	0	0	120.2
629	E	22.1	Very low	25.8	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	77%	0.773	S	S	*	*			cis	-150.5	-174.9	-1.6	-132.8	165.5	-178.7	0	0	113.6
630	R	20.5	Very low	25.7	Very low	227 Å²	227	143.9 Å²	143.9	86%	0.857	77%	0.769	S	S	*	*			trans	-113.5	-173.8	178	-137.3	-167.3	156.9	97	-2.3	107.8
631	P	33.5	Very low	25.7	Very low	95 Å²	95	147.7 Å²	147.7	62%	0.617	78%	0.776	S	S	*	*			cis	-146.8	-171.9	-5.9	43.4	-22.6	0	0	0	118.8
632	L	22.5	Very low	25.8	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	78%	0.782	S	S	*	*			trans	93.1	158.6	146.4	-109.7	66.9	0	0	0	121.3
633	A	24.8	Very low	26	Very low	87 Å²	87	148.4 Å²	148.4	72%	0.719	78%	0.784	S	S	*	*			trans	-130.7	178.8	-172.4	0	0	0	0	0	110.7
634	P	26.4	Very low	26.2	Very low	128 Å²	128	149.4 Å²	149.4	83%	0.831	79%	0.789	S	S	*	*				-155.3	-164.8	80.6	42.6	-21.5	0	0	0	116.3
635	S	24.7	Very low	26.5	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	80%	0.795	S	S	*	*			trans	-133.6	-163.6	172.6	75.8	0	0	0	0	109.2
636	P	37.5	Very low	27.1	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	80%	0.8	S	S	*	*			cis	-108.2	-110.3	1.6	28.7	-4.4	0	0	0	112.2
637	P	31	Very low	27.6	Very low	116 Å²	116	140.9 Å²	140.9	75%	0.753	79%	0.79	S	S	*	*			cis	-116.2	-149.4	4.5	44.9	-30.6	0	0	0	114.1
638	K	30.4	Very low	28.4	Very low	205 Å²	205	139.2 Å²	139.2	89%	0.891	80%	0.796	S	S	*	*			trans	-151.6	162.2	169.9	-70.1	-172.9	177.8	-174.6	0	110.5
639	L	20.5	Very low	29.1	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	80%	0.796	S	S	*	*			trans	-154.6	131.3	158.1	-168.2	63.4	0	0	0	114
640	C	22.6	Very low	29.9	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	78%	0.779	S	S	*	*			trans	47.8	153.6	159.2	-67.8	0	0	0	0	123.8
641	E	32.4	Very low	30.6	Very low	196 Å²	196	127 Å²	127	92%	0.916	76%	0.764	S	S	*	*			trans	-106.1	167	175.2	-58.2	172	129.4	0	0	109.6
642	D	25	Very low	30.8	Very low	169 Å²	169	127 Å²	127	90%	0.904	76%	0.758	S	S	*	*			trans	-140.4	155.4	156	-154.5	-2.4	0	0	0	108.7
643	D	31.6	Very low	31.6	Very low	146 Å²	146	123.6 Å²	123.6	78%	0.781	74%	0.744	S	S	*	*			trans	-107.3	111	-159.2	-172.4	25.5	0	0	0	113.5
644	E	28.6	Very low	32.3	Very low	187 Å²	187	127 Å²	127	87%	0.874	74%	0.743	S	S	*	*			trans	-126.8	146.3	166.8	-77.3	-160.4	145.4	0	0	112
645	T	31.1	Very low	32.7	Very low	130 Å²	130	126.4 Å²	126.4	80%	0.798	73%	0.73	S	S	*	*			trans	-54.5	142.2	-162.8	54.2	0	0	0	0	115	G647	T645-G647 PolarHBondContact O-N 2.91Å
646	P	34.8	Very low	33.6	Very low	129 Å²	129	125.2 Å²	125.2	84%	0.838	72%	0.719	S	S	*	*			trans	-72.2	86.3	-172.6	29.7	-36.6	0	0	0	113.4
647	G	33.7	Very low	33.8	Very low	50 Å²	50	125.4 Å²	125.4	52%	0.515	72%	0.717	S	S	.	*			trans	-59.7	137	170.2	0	0	0	0	0	112.4	T645 L649 S650	T645-G647 PolarHBondContact O-N 2.91Å; G647-L649 PolarHBondContact O-N 3.46Å; G647-S650 PolarHBondContact O-N 2.94Å; G647-S650 VanDerWaalsContact O-N 3.14Å
648	A	40.6	Very low	34.2	Very low	102 Å²	102	124.7 Å²	124.7	84%	0.843	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	0.2	-167.3	0	0	0	0	0	116.8
649	L	37.4	Very low	34.6	Very low	135 Å²	135	123 Å²	123	71%	0.707	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-21.5	177.8	-60.2	175.3	0	0	0	113.4	G647 G651 L652	G647-L649 PolarHBondContact O-N 3.46Å; L649-G651 VanDerWaalsContact C-N 3.26Å; L649-G651 PolarHBondContact O-N 2.9Å; L649-L652 WeakPolarHBondContact O-CB 3.24Å; L649-L652 PolarHBondContact O-N 2.9Å
650	S	38.4	Very low	35.7	Very low	70 Å²	70	119.4 Å²	119.4	49%	0.49	69%	0.691	S	S	.	*	H	α-helix	trans	-61.7	-31.9	-176.3	-173.6	0	0	0	0	113.3	G647 K654	G647-S650 PolarHBondContact O-N 2.94Å; G647-S650 VanDerWaalsContact O-N 3.14Å; S650-K654 PolarHBondContact O-N 3.35Å
651	G	35.9	Very low	36.4	Very low	53 Å²	53	121.6 Å²	121.6	55%	0.546	70%	0.695	S	S	.	*	H	α-helix	trans	-66.1	-33.9	175	0	0	0	0	0	113.9	L649 M655	L649-G651 VanDerWaalsContact C-N 3.26Å; L649-G651 PolarHBondContact O-N 2.9Å; G651-M655 WeakPolarHBondContact O-CB 3.31Å; G651-M655 PolarHBondContact O-N 3.35Å; G651-M655 VanDerWaalsContact O-N 3.1Å
652	L	37.4	Very low	36.8	Very low	95 Å²	95	115.4 Å²	115.4	50%	0.497	68%	0.683	S	S	.	*	H	α-helix	trans	-67.4	-45.8	178.2	-97	159.5	0	0	0	111.3	L649 K654 M655 V656	L649-L652 WeakPolarHBondContact O-CB 3.24Å; L649-L652 PolarHBondContact O-N 2.9Å; L652-K654 PolarHBondContact O-N 3.47Å; L652-M655 HydrophobicContact CD2-CE 3.91Å; L652-M655 PolarHBondContact O-N 3Å; L652-V656 WeakPolarHBondContact O-CG2 3.24Å; L652-V656 PolarHBondContact O-N 3.4Å
653	T	39.3	Very low	37.3	Very low	97 Å²	97	115.8 Å²	115.8	60%	0.595	68%	0.679	S	S	*	*	H	α-helix	trans	-61.5	-42.5	179.5	-47.9	0	0	0	0	111.9	V657	T653-V657 VanDerWaalsContact O-CG2 3.27Å; T653-V657 WeakPolarHBondContact O-CG2 3.46Å; T653-V657 PolarHBondContact O-N 3.29Å
654	K	39.2	Very low	37.7	Very low	159 Å²	159	114.5 Å²	114.5	69%	0.691	67%	0.67	S	S	*	*	H	α-helix	trans	-67.2	-40.1	176.9	-76.7	-179	177.5	175.4	0	112.7	S650 L652 V657 S658	S650-K654 PolarHBondContact O-N 3.35Å; L652-K654 PolarHBondContact O-N 3.47Å; K654-V657 PolarHBondContact O-N 2.9Å; K654-S658 PolarHBondContact O-N 2.94Å; K654-S658 PolarHBondContact O-OG 2.81Å
655	M	35.4	Very low	38.6	Very low	115 Å²	115	108 Å²	108	57%	0.567	65%	0.645	S	S	*	*	H	α-helix	trans	-65.9	-37.5	179.5	-176.9	170.8	61.6	0	0	113	G651 L652 S658	G651-M655 WeakPolarHBondContact O-CB 3.31Å; G651-M655 PolarHBondContact O-N 3.35Å; G651-M655 VanDerWaalsContact O-N 3.1Å; L652-M655 HydrophobicContact CD2-CE 3.91Å; L652-M655 PolarHBondContact O-N 3Å; M655-S658 PolarHBondContact O-OG 3.45Å
656	V	42.5	Very low	39.3	Very low	80 Å²	80	104.6 Å²	104.6	49%	0.485	64%	0.636	S	S	.	*	H	α-helix	trans	-70.8	-38.4	176.4	172.8	0	0	0	0	111.6	L652 S658 I660	L652-V656 WeakPolarHBondContact O-CG2 3.24Å; L652-V656 PolarHBondContact O-N 3.4Å; V656-S658 PolarHBondContact O-N 3.3Å; V656-I660 HydrophobicContact CG1-CD1 3.98Å; V656-I660 WeakPolarHBondContact O-CD1 3.28Å
657	V	42.7	Very low	39.8	Very low	118 Å²	118	104.5 Å²	104.5	72%	0.715	62%	0.624	S	S	*	*	H	α-helix	trans	-71.9	-25.9	-178	169.8	0	0	0	0	113.2	T653 K654	T653-V657 VanDerWaalsContact O-CG2 3.27Å; T653-V657 WeakPolarHBondContact O-CG2 3.46Å; T653-V657 PolarHBondContact O-N 3.29Å; K654-V657 PolarHBondContact O-N 2.9Å
658	S	38.7	Very low	40.3	Very low	100 Å²	100	106 Å²	106	70%	0.699	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	3.4	-175.8	67.2	0	0	0	0	115.9	K654 M655 V656	K654-S658 PolarHBondContact O-N 2.94Å; K654-S658 PolarHBondContact O-OG 2.81Å; M655-S658 PolarHBondContact O-OG 3.45Å; V656-S658 PolarHBondContact O-N 3.3Å
659	Q	38.5	Very low	40.8	Very low	169 Å²	169	106.1 Å²	106.1	79%	0.79	61%	0.609	S	S	*	*	S	Bend	trans	-136.5	21	-170.5	-150.7	175.2	94.8	0	0	114.3
660	I	44.7	Very low	41.5	Very low	88 Å²	88	105.7 Å²	105.7	45%	0.451	60%	0.603	S	S	.	*			trans	-120.9	78.7	176.4	-52.9	173.5	0	0	0	109.2	V656 M664 M668	V656-I660 HydrophobicContact CG1-CD1 3.98Å; V656-I660 WeakPolarHBondContact O-CD1 3.28Å; I660-M664 HydrophobicContact CG2-CE 4.03Å; I660-M664 HydrophobicContact CG2-SD 4.12Å; I660-M668 HydrophobicContact CD1-CE 3.66Å; I660-M668 HydrophobicContact CG1-CE 3.94Å
661	D	36.7	Very low	41.8	Very low	166 Å²	166	108.5 Å²	108.5	89%	0.888	61%	0.608	S	S	*	*	S	Bend	trans	-135.3	117.3	158.1	-169.2	14.6	0	0	0	108
662	G	41.6	Very low	42.5	Very low	66 Å²	66	109.6 Å²	109.6	68%	0.68	60%	0.601	S	S	*	*	S	Bend	trans	81.2	114.2	-173.3	0	0	0	0	0	116.2
663	H	35.2	Very low	43.1	Very low	176 Å²	176	110.1 Å²	110.1	82%	0.815	60%	0.603	S	S	*	*			trans	62.4	99.8	158.1	-164.1	-72.5	0	0	0	118.8	S665	H663-S665 PolarHBondContact O-N 2.9Å
664	M	40.3	Very low	43.4	Very low	120 Å²	120	108.6 Å²	108.6	59%	0.591	59%	0.591	S	S	*	*			trans	-63.2	118.4	171.1	-60.3	-56.3	-153.2	0	0	112	I660 M668	I660-M664 HydrophobicContact CG2-CE 4.03Å; I660-M664 HydrophobicContact CG2-SD 4.12Å; M664-M668 HydrophobicContact CE-CE 4.09Å; M664-M668 HydrophobicContact CE-SD 3.77Å; M664-M668 HydrophobicContact SD-CE 3.49Å; M664-M668 WeakPolarHBondContact SD-CE 3.44Å; M664-M668 HydrophobicContact SD-SD 3.61Å; M664-M668 VanDerWaalsContact SD-SD 3.61Å
665	S	47.6	Very low	43.9	Very low	50 Å²	50	104.3 Å²	104.3	35%	0.35	58%	0.581	S	S	.	*			trans	-89.3	159.4	172.7	84.8	0	0	0	0	111.8	H663 Q667 M668	H663-S665 PolarHBondContact O-N 2.9Å; S665-Q667 PolarHBondContact O-N 2.92Å; S665-Q667 WeakPolarHBondContact OG-CB 3.43Å; S665-Q667 PolarHBondContact OG-N 2.9Å; S665-Q667 PolarHBondContact OG-OE1 3.29Å; S665-M668 PolarHBondContact O-N 3.18Å
666	G	45.3	Very low	44.5	Very low	58 Å²	58	102.2 Å²	102.2	60%	0.598	57%	0.574	S	S	*	*	H	α-helix	trans	-57.8	-21	176.9	0	0	0	0	0	114.3	M668 V669 E670	G666-M668 PolarHBondContact O-N 3.44Å; G666-V669 WeakPolarHBondContact O-CB 3.21Å; G666-V669 PolarHBondContact O-N 2.99Å; G666-E670 PolarHBondContact O-N 3.42Å
667	Q	45.8	Very low	45.1	Very low	128 Å²	128	104 Å²	104	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-60.6	-30.3	174.4	-63	167.9	-37.3	0	0	112	S665 E670 H671	S665-Q667 PolarHBondContact O-N 2.92Å; S665-Q667 WeakPolarHBondContact OG-CB 3.43Å; S665-Q667 PolarHBondContact OG-N 2.9Å; S665-Q667 PolarHBondContact OG-OE1 3.29Å; Q667-E670 PolarHBondContact O-N 2.86Å; Q667-H671 VanDerWaalsContact O-CB 3.28Å; Q667-H671 WeakPolarHBondContact O-CB 3.16Å; Q667-H671 PolarHBondContact O-CD2 3.42Å; Q667-H671 PolarHBondContact O-N 2.6Å
668	M	43	Very low	45.2	Very low	81 Å²	81	104.5 Å²	104.5	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-70.2	-33.9	175.7	-167.8	178.5	-69.5	0	0	111.9	I660 M664 S665 G666 L672	I660-M668 HydrophobicContact CD1-CE 3.66Å; I660-M668 HydrophobicContact CG1-CE 3.94Å; M664-M668 HydrophobicContact CE-CE 4.09Å; M664-M668 HydrophobicContact CE-SD 3.77Å; M664-M668 HydrophobicContact SD-CE 3.49Å; M664-M668 WeakPolarHBondContact SD-CE 3.44Å; M664-M668 HydrophobicContact SD-SD 3.61Å; M664-M668 VanDerWaalsContact SD-SD 3.61Å; S665-M668 PolarHBondContact O-N 3.18Å; G666-M668 PolarHBondContact O-N 3.44Å; M668-L672 VanDerWaalsContact O-CB 3.29Å; M668-L672 WeakPolarHBondContact O-CB 3.33Å; M668-L672 PolarHBondContact O-N 3.27Å
669	V	50.7	Low	45.4	Very low	104 Å²	104	102 Å²	102	63%	0.63	55%	0.55	S	S	*	*	H	α-helix	trans	-69	-43.4	173.2	-177.1	0	0	0	0	110.1	G666 H671 L672 M673	G666-V669 WeakPolarHBondContact O-CB 3.21Å; G666-V669 PolarHBondContact O-N 2.99Å; V669-H671 PolarHBondContact O-N 2.86Å; V669-L672 PolarHBondContact O-N 3.02Å; V669-M673 WeakPolarHBondContact O-CB 3.35Å; V669-M673 PolarHBondContact O-N 3.1Å
670	E	52.2	Low	45.7	Very low	126 Å²	126	97.6 Å²	97.6	59%	0.589	54%	0.537	S	S	*	.	H	α-helix	trans	-65	-36.9	176	-169.8	174.5	-159.8	0	0	112.4	G666 Q667 N674	G666-E670 PolarHBondContact O-N 3.42Å; Q667-E670 PolarHBondContact O-N 2.86Å; E670-N674 VanDerWaalsContact O-CB 3.27Å; E670-N674 WeakPolarHBondContact O-CB 3.41Å; E670-N674 PolarHBondContact O-N 3.4Å; E670-N674 PolarHBondContact O-ND2 2.96Å
671	H	44.4	Very low	45.8	Very low	130 Å²	130	96.9 Å²	96.9	60%	0.602	54%	0.536	S	S	*	.	H	α-helix	trans	-69.5	-38.5	172.3	-84.7	-62.4	0	0	0	112.6	Q667 V669 S675	Q667-H671 VanDerWaalsContact O-CB 3.28Å; Q667-H671 WeakPolarHBondContact O-CB 3.16Å; Q667-H671 PolarHBondContact O-CD2 3.42Å; Q667-H671 PolarHBondContact O-N 2.6Å; V669-H671 PolarHBondContact O-N 2.86Å; H671-S675 WeakPolarHBondContact O-CB 3.46Å; H671-S675 PolarHBondContact O-N 2.86Å; H671-S675 PolarHBondContact O-OG 3.21Å
672	L	50.4	Low	46.3	Very low	76 Å²	76	94.1 Å²	94.1	40%	0.398	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-45.5	174.3	179.8	61.1	0	0	0	110.8	L600 M668 V669 S675 V676	L600-L672 HydrophobicContact CD1-CD1 4.16Å; M668-L672 VanDerWaalsContact O-CB 3.29Å; M668-L672 WeakPolarHBondContact O-CB 3.33Å; M668-L672 PolarHBondContact O-N 3.27Å; V669-L672 PolarHBondContact O-N 3.02Å; L672-S675 WeakPolarHBondContact O-CA 3.34Å; L672-S675 WeakPolarHBondContact O-CB 3.46Å; L672-S675 PolarHBondContact O-N 3.14Å; L672-V676 WeakPolarHBondContact O-CG2 3.44Å; L672-V676 PolarHBondContact O-N 2.88Å
673	M	51.7	Low	46.5	Very low	106 Å²	106	94.2 Å²	94.2	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-41.6	176.3	-170.3	171.1	-178.2	0	0	111.7	V669 S675 V676 M677	V669-M673 WeakPolarHBondContact O-CB 3.35Å; V669-M673 PolarHBondContact O-N 3.1Å; M673-S675 VanDerWaalsContact C-N 3.29Å; M673-S675 PolarHBondContact O-N 3.01Å; M673-V676 PolarHBondContact O-N 3.41Å; M673-M677 VanDerWaalsContact O-CB 3.3Å; M673-M677 WeakPolarHBondContact O-CB 3.48Å; M673-M677 PolarHBondContact O-N 3.32Å
674	N	45.5	Very low	46.9	Very low	65 Å²	65	88.4 Å²	88.4	35%	0.348	49%	0.487	S	S	.	.	H	α-helix	trans	-60.2	-37	169.5	-95	-84.3	0	0	0	112.5	E670 K678	E670-N674 VanDerWaalsContact O-CB 3.27Å; E670-N674 WeakPolarHBondContact O-CB 3.41Å; E670-N674 PolarHBondContact O-N 3.4Å; E670-N674 PolarHBondContact O-ND2 2.96Å; N674-K678 VanDerWaalsContact O-CB 3.27Å; N674-K678 WeakPolarHBondContact O-CB 3.25Å; N674-K678 WeakPolarHBondContact O-CD 3.28Å; N674-K678 WeakPolarHBondContact O-CG 3.48Å; N674-K678 PolarHBondContact O-N 3.29Å
675	S	50	Low	46.9	Very low	69 Å²	69	89.3 Å²	89.3	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-72.1	-41.2	-179.8	-59.8	0	0	0	0	111.5	H671 L672 M673 K678 L679	H671-S675 WeakPolarHBondContact O-CB 3.46Å; H671-S675 PolarHBondContact O-N 2.86Å; H671-S675 PolarHBondContact O-OG 3.21Å; L672-S675 WeakPolarHBondContact O-CA 3.34Å; L672-S675 WeakPolarHBondContact O-CB 3.46Å; L672-S675 PolarHBondContact O-N 3.14Å; M673-S675 VanDerWaalsContact C-N 3.29Å; M673-S675 PolarHBondContact O-N 3.01Å; S675-K678 PolarHBondContact O-N 3.43Å; S675-L679 WeakPolarHBondContact O-CB 3.46Å; S675-L679 PolarHBondContact O-N 3.18Å
676	V	47.5	Very low	46.5	Very low	71 Å²	71	90.3 Å²	90.3	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-44.9	171.6	173.4	0	0	0	0	110.8	L672 M673 K678 L679 C680	L672-V676 WeakPolarHBondContact O-CG2 3.44Å; L672-V676 PolarHBondContact O-N 2.88Å; M673-V676 PolarHBondContact O-N 3.41Å; V676-K678 PolarHBondContact O-N 3.35Å; V676-L679 WeakPolarHBondContact O-CB 3.43Å; V676-L679 PolarHBondContact O-N 2.85Å; V676-L679 VanDerWaalsContact O-N 3.16Å; V676-C680 PolarHBondContact O-N 2.9Å; V676-C680 PolarHBondContact O-SG 2.67Å; V676-C680 VanDerWaalsContact O-SG 3.35Å
677	M	54.5	Low	46.3	Very low	116 Å²	116	91.9 Å²	91.9	57%	0.571	50%	0.495	S	S	*	.	H	α-helix	trans	-64.2	-40.8	177.7	-171.2	172.2	-72.9	0	0	112.1	M673 L679 C680 V681	M673-M677 VanDerWaalsContact O-CB 3.3Å; M673-M677 WeakPolarHBondContact O-CB 3.48Å; M673-M677 PolarHBondContact O-N 3.32Å; M677-L679 VanDerWaalsContact C-N 3.34Å; M677-C680 PolarHBondContact O-N 3.16Å; M677-V681 WeakPolarHBondContact O-CG2 3.49Å; M677-V681 PolarHBondContact O-N 3.42Å
678	K	45.8	Very low	45.7	Very low	129 Å²	129	92 Å²	92	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-37.7	172	-75.3	168.1	-174.6	178.3	0	112	N674 S675 V676 V681 I682	N674-K678 VanDerWaalsContact O-CB 3.27Å; N674-K678 WeakPolarHBondContact O-CB 3.25Å; N674-K678 WeakPolarHBondContact O-CD 3.28Å; N674-K678 WeakPolarHBondContact O-CG 3.48Å; N674-K678 PolarHBondContact O-N 3.29Å; S675-K678 PolarHBondContact O-N 3.43Å; V676-K678 PolarHBondContact O-N 3.35Å; K678-V681 PolarHBondContact O-N 3.4Å; K678-I682 WeakPolarHBondContact O-CB 3.45Å; K678-I682 WeakPolarHBondContact O-CD1 3.39Å; K678-I682 VanDerWaalsContact O-CG1 3.25Å; K678-I682 WeakPolarHBondContact O-CG1 3.43Å; K678-I682 PolarHBondContact O-N 3.47Å
679	L	43	Very low	45.3	Very low	49 Å²	49	92.3 Å²	92.3	26%	0.257	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-43.2	174.7	-168.4	65	0	0	0	111.3	F593 F596 S675 V676 M677 V681 I682 I683	F593-L679 HydrophobicContact CE1-CD1 4.08Å; F593-L679 HydrophobicContact CE1-CD2 4.16Å; F593-L679 HydrophobicContact CE1-CG 4.2Å; F596-L679 HydrophobicContact CD1-CD2 4.16Å; F596-L679 HydrophobicContact CE1-CD2 3.67Å; F596-L679 HydrophobicContact CZ-CD2 4.31Å; S675-L679 WeakPolarHBondContact O-CB 3.46Å; S675-L679 PolarHBondContact O-N 3.18Å; V676-L679 WeakPolarHBondContact O-CB 3.43Å; V676-L679 PolarHBondContact O-N 2.85Å; V676-L679 VanDerWaalsContact O-N 3.16Å; M677-L679 VanDerWaalsContact C-N 3.34Å; L679-V681 VanDerWaalsContact C-N 3.35Å; L679-V681 PolarHBondContact O-N 3.33Å; L679-I682 PolarHBondContact O-N 2.91Å; L679-I683 HydrophobicContact CG-CD1 4.36Å; L679-I683 VanDerWaalsContact O-CG1 3.28Å; L679-I683 WeakPolarHBondContact O-CG1 3.32Å; L679-I683 PolarHBondContact O-N 2.81Å
680	C	43.9	Very low	44.3	Very low	76 Å²	76	92.6 Å²	92.6	51%	0.514	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-39.6	172.8	-65.2	0	0	0	0	112.6	V676 M677 I683 A684	V676-C680 PolarHBondContact O-N 2.9Å; V676-C680 PolarHBondContact O-SG 2.67Å; V676-C680 VanDerWaalsContact O-SG 3.35Å; M677-C680 PolarHBondContact O-N 3.16Å; C680-I683 PolarHBondContact O-N 2.85Å; C680-A684 PolarHBondContact O-N 3.45Å
681	V	45.8	Very low	43.3	Very low	72 Å²	72	94.7 Å²	94.7	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-69.4	-34.6	175.5	171	0	0	0	0	112.2	M677 K678 L679 K685	M677-V681 WeakPolarHBondContact O-CG2 3.49Å; M677-V681 PolarHBondContact O-N 3.42Å; K678-V681 PolarHBondContact O-N 3.4Å; L679-V681 VanDerWaalsContact C-N 3.35Å; L679-V681 PolarHBondContact O-N 3.33Å; V681-K685 HydrophobicContact CG1-CD 4.33Å; V681-K685 WeakPolarHBondContact O-CB 3.45Å; V681-K685 WeakPolarHBondContact O-CG 3.24Å; V681-K685 PolarHBondContact O-N 2.9Å
682	I	47	Very low	42.7	Very low	109 Å²	109	93 Å²	93	56%	0.559	54%	0.54	S	S	*	.	H	α-helix	trans	-67.3	-43.4	173.4	-71.3	162.3	0	0	0	110.3	K678 L679 K685 S686	K678-I682 WeakPolarHBondContact O-CB 3.45Å; K678-I682 WeakPolarHBondContact O-CD1 3.39Å; K678-I682 VanDerWaalsContact O-CG1 3.25Å; K678-I682 WeakPolarHBondContact O-CG1 3.43Å; K678-I682 PolarHBondContact O-N 3.47Å; L679-I682 PolarHBondContact O-N 2.91Å; I682-K685 PolarHBondContact O-N 3.41Å; I682-S686 WeakPolarHBondContact O-CB 3.13Å; I682-S686 PolarHBondContact O-N 3.48Å; I682-S686 PolarHBondContact O-OG 3.35Å
683	I	47.9	Very low	41.8	Very low	68 Å²	68	98.8 Å²	98.8	35%	0.349	57%	0.565	S	S	.	*	H	α-helix	trans	-57.4	-50.5	173.6	-69.9	162.2	0	0	0	110	F593 L679 C680 K685 S686 C687	F593-I683 HydrophobicContact CE1-CD1 3.96Å; F593-I683 HydrophobicContact CE1-CG1 4.34Å; F593-I683 HydrophobicContact CE2-CG1 4.5Å; F593-I683 HydrophobicContact CZ-CD1 3.7Å; F593-I683 HydrophobicContact CZ-CG1 3.67Å; L679-I683 HydrophobicContact CG-CD1 4.36Å; L679-I683 VanDerWaalsContact O-CG1 3.28Å; L679-I683 WeakPolarHBondContact O-CG1 3.32Å; L679-I683 PolarHBondContact O-N 2.81Å; C680-I683 PolarHBondContact O-N 2.85Å; I683-K685 PolarHBondContact O-N 2.93Å; I683-S686 PolarHBondContact O-N 3.26Å; I683-S686 PolarHBondContact O-OG 2.83Å; I683-C687 PolarHBondContact O-N 3.32Å; I683-C687 PolarHBondContact O-SG 2.96Å
684	A	42.9	Very low	40.7	Very low	54 Å²	54	102.4 Å²	102.4	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-56.2	-52.6	177.5	0	0	0	0	0	112.1	C680 S686 C687	C680-A684 PolarHBondContact O-N 3.45Å; A684-S686 VanDerWaalsContact C-N 3.28Å; A684-S686 PolarHBondContact O-N 3.38Å; A684-C687 WeakPolarHBondContact O-CB 3.34Å; A684-C687 PolarHBondContact O-N 2.87Å; A684-C687 VanDerWaalsContact O-N 3.07Å
685	K	39.4	Very low	39.9	Very low	139 Å²	139	103.1 Å²	103.1	60%	0.604	61%	0.608	S	S	*	*	H	α-helix	trans	-62.9	-31.4	178.9	-71.8	-176.7	174.6	-167.2	0	113.6	V681 I682 I683 C687 D688 S689	V681-K685 HydrophobicContact CG1-CD 4.33Å; V681-K685 WeakPolarHBondContact O-CB 3.45Å; V681-K685 WeakPolarHBondContact O-CG 3.24Å; V681-K685 PolarHBondContact O-N 2.9Å; I682-K685 PolarHBondContact O-N 3.41Å; I683-K685 PolarHBondContact O-N 2.93Å; K685-C687 PolarHBondContact O-N 3.1Å; K685-D688 PolarHBondContact O-N 2.96Å; K685-S689 PolarHBondContact O-N 3.24Å; K685-S689 PolarHBondContact O-OG 3.5Å
686	S	39.7	Very low	39	Very low	71 Å²	71	107.6 Å²	107.6	50%	0.497	63%	0.627	S	S	.	*	H	α-helix	trans	-66.7	-22.6	176.8	72.8	0	0	0	0	113	I682 I683 A684	I682-S686 WeakPolarHBondContact O-CB 3.13Å; I682-S686 PolarHBondContact O-N 3.48Å; I682-S686 PolarHBondContact O-OG 3.35Å; I683-S686 PolarHBondContact O-N 3.26Å; I683-S686 PolarHBondContact O-OG 2.83Å; A684-S686 VanDerWaalsContact C-N 3.28Å; A684-S686 PolarHBondContact O-N 3.38Å
687	C	40.4	Very low	38	Very low	90 Å²	90	110.1 Å²	110.1	61%	0.608	64%	0.638	S	S	*	*	H	α-helix	trans	-76.6	-28.1	173.9	-62.3	0	0	0	0	113.5	I683 A684 K685	I683-C687 PolarHBondContact O-N 3.32Å; I683-C687 PolarHBondContact O-SG 2.96Å; A684-C687 WeakPolarHBondContact O-CB 3.34Å; A684-C687 PolarHBondContact O-N 2.87Å; A684-C687 VanDerWaalsContact O-N 3.07Å; K685-C687 PolarHBondContact O-N 3.1Å
688	D	34.6	Very low	36.8	Very low	130 Å²	130	112.4 Å²	112.4	70%	0.695	65%	0.645	S	S	*	*	H	α-helix	trans	-87.2	-13.2	-177.5	-61	-38.3	0	0	0	113.3	K685 S690	K685-D688 PolarHBondContact O-N 2.96Å; D688-S690 PolarHBondContact O-N 3.45Å
689	S	32.9	Very low	35.9	Very low	89 Å²	89	114 Å²	114	62%	0.622	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	7.8	-163.7	-58.6	0	0	0	0	115.9	K685	K685-S689 PolarHBondContact O-N 3.24Å; K685-S689 PolarHBondContact O-OG 3.5Å
690	S	29.7	Very low	35.1	Very low	109 Å²	109	115 Å²	115	76%	0.762	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	8.1	-169.4	56	0	0	0	0	115.8	D688	D688-S690 PolarHBondContact O-N 3.45Å
691	L	31.9	Very low	34.2	Very low	171 Å²	171	118.6 Å²	118.6	90%	0.895	70%	0.695	S	S	*	*	S	Bend	trans	-118.5	7.9	-175.3	-153.2	76	0	0	0	114.5
692	A	32.8	Very low	33.3	Very low	95 Å²	95	119.9 Å²	119.9	79%	0.785	70%	0.7	S	S	*	*	S	Bend	trans	-132.9	19.3	-164.8	0	0	0	0	0	115.9
693	E	29.9	Very low	32.3	Very low	196 Å²	196	122.9 Å²	122.9	92%	0.916	71%	0.708	S	S	*	*			trans	-147.6	81.8	176.9	-153	168.8	-117.5	0	0	113.9
694	L	29.8	Very low	31.2	Very low	183 Å²	183	125.6 Å²	125.6	96%	0.958	73%	0.733	S	S	*	*	S	Bend	trans	-157	109.4	149.9	-166.3	70.6	0	0	0	111.6
695	G	27.7	Very low	30.4	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	75%	0.745	S	S	*	*			trans	117	63	163.5	0	0	0	0	0	116.4
696	D	30.9	Very low	29.6	Very low	162 Å²	162	127.4 Å²	127.4	87%	0.866	76%	0.758	S	S	*	*			trans	-132.7	113.3	155.8	-165	12.6	0	0	0	108.5
697	D	28.1	Very low	28.9	Very low	124 Å²	124	127.9 Å²	127.9	66%	0.663	77%	0.766	S	S	*	*			trans	-155.5	83.5	-178.9	-147.8	22.6	0	0	0	114.8
698	K	28.6	Very low	28.2	Very low	165 Å²	165	127.7 Å²	127.7	72%	0.717	77%	0.766	S	S	*	*			trans	70	165	158.9	-22.5	-166.8	-161.9	-56	0	115.8
699	L	26.3	Very low	27.8	Very low	161 Å²	161	131.8 Å²	131.8	84%	0.843	77%	0.772	S	S	*	*			cis	-155.6	128	7	-178.3	66.4	0	0	0	112
700	G	26	Very low	27.4	Very low	72 Å²	72	134 Å²	134	74%	0.742	78%	0.776	S	S	*	*			trans	66.3	176.5	158	0	0	0	0	0	118.1
701	D	24.9	Very low	27.1	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	78%	0.777	S	S	*	*			cis	-158.8	163.9	-21.6	-161.4	10.3	0	0	0	110.2
702	D	27	Very low	26.7	Very low	100 Å²	100	132.2 Å²	132.2	54%	0.535	77%	0.773	S	S	.	*			trans	58.7	108.2	153.4	-98.9	9	0	0	0	124.4
703	K	27.7	Very low	26.3	Very low	171 Å²	171	131.9 Å²	131.9	74%	0.743	77%	0.77	S	S	*	*				77.7	140.6	119.7	-73.6	179.9	-178	81.4	0	124.4
704	S	24.8	Very low	26.4	Very low	125 Å²	125	131.8 Å²	131.8	87%	0.874	77%	0.767	S	S	*	*			trans	102.6	132.1	130.4	-168.3	0	0	0	0	121.6
705	G	25.4	Very low	26.9	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	76%	0.756	S	S	*	*			trans	89.2	101.4	162.1	0	0	0	0	0	114.4
706	D	21.5	Very low	26.8	Very low	164 Å²	164	131.2 Å²	131.2	88%	0.877	75%	0.752	S	S	*	*			cis	76.2	142.1	29.2	-163.6	36.6	0	0	0	116.7
707	A	25.8	Very low	26.5	Very low	80 Å²	80	129.4 Å²	129.4	66%	0.661	75%	0.752	S	S	*	*			trans	71.9	137.6	172.6	0	0	0	0	0	119.2
708	S	26.4	Very low	26.5	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	76%	0.758	S	S	*	*			cis	-171.4	165.9	-14.8	49.3	0	0	0	0	113.2
709	R	25.7	Very low	26.5	Very low	215 Å²	215	132.9 Å²	132.9	81%	0.811	76%	0.763	S	S	*	*			trans	88.5	146.3	153.8	-50	-166.8	-169.3	-139.3	-5.8	119.3
710	L	25	Very low	26.5	Very low	135 Å²	135	132.4 Å²	132.4	71%	0.707	76%	0.757	S	S	*	*			cis	-164	122	-20.7	-97.2	175.4	0	0	0	104.6
711	T	22.6	Very low	26.5	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	76%	0.76	S	S	*	*				84.4	151.1	87.9	-59.5	0	0	0	0	115.7
712	S	23.4	Very low	26.7	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	76%	0.763	S	S	*	*			trans	101.7	123.9	169.7	-161.7	0	0	0	0	115.6
713	A	25.4	Very low	27.4	Very low	87 Å²	87	136 Å²	136	72%	0.719	77%	0.773	S	S	*	*			cis	-159.5	150.3	-11.8	0	0	0	0	0	112.6
714	F	32	Very low	27.2	Very low	195 Å²	195	133.8 Å²	133.8	86%	0.855	77%	0.773	S	S	*	*			trans	-101.3	163.6	150.4	-71.9	-87.8	0	0	0	108.6
715	P	40.3	Very low	27.8	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	77%	0.774	S	S	*	*				-151.7	-179.5	105.1	38.4	-21.5	0	0	0	113.2
716	D	25.5	Very low	27.9	Very low	140 Å²	140	138 Å²	138	75%	0.749	78%	0.777	S	S	*	*			cis	-166.8	150.4	-35.6	-93.4	-35.6	0	0	0	107.6
717	S	23.3	Very low	29	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	78%	0.78	S	S	*	*			trans	-169.4	104	150	-174.9	0	0	0	0	110.6
718	L	29.6	Very low	29.8	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	78%	0.775	S	S	*	*			trans	-85.4	156.1	179	-62.4	165.5	0	0	0	112
719	Y	27.1	Very low	30.8	Very low	209 Å²	209	136.4 Å²	136.4	82%	0.82	78%	0.776	S	S	*	*			trans	172.4	148	140	-118.1	-97	0	0	0	109.5
720	E	26.5	Very low	31.3	Very low	152 Å²	152	129.4 Å²	129.4	71%	0.71	76%	0.764	S	S	*	*			cis	-150.4	179.8	-42.1	-176.1	161.6	-127.7	0	0	106.5
721	C	26.5	Very low	32.1	Very low	121 Å²	121	129.4 Å²	129.4	82%	0.818	76%	0.761	S	S	*	*			trans	-73.7	160.8	-163.7	-59.6	0	0	0	0	117.6
722	L	30.1	Very low	33.1	Very low	163 Å²	163	125.6 Å²	125.6	85%	0.853	74%	0.743	S	S	*	*			trans	-38.7	149.6	152.5	-72.9	168.1	0	0	0	112.3
723	P	39.9	Very low	34.2	Very low	114 Å²	114	126 Å²	126	74%	0.74	74%	0.735	S	S	*	*				-153.5	-160.6	59.3	36.2	-11.4	0	0	0	117.1
724	V	24.6	Very low	35.2	Very low	123 Å²	123	127.9 Å²	127.9	75%	0.745	73%	0.732	S	S	*	*			trans	92.9	87	162.9	-164.1	0	0	0	0	118.5
725	K	36.4	Very low	35.7	Very low	207 Å²	207	124.5 Å²	124.5	90%	0.9	72%	0.719	S	S	*	*				48.6	85.4	120.5	-160.2	-179.4	-172.2	178.8	0	118
726	G	28.4	Very low	35.8	Very low	74 Å²	74	124.8 Å²	124.8	76%	0.763	71%	0.714	S	S	*	*			trans	-160.8	130.3	164.2	0	0	0	0	0	112.8
727	T	45.1	Very low	36.8	Very low	155 Å²	155	120.5 Å²	120.5	95%	0.951	70%	0.699	S	S	*	*	S	Bend	trans	-75.3	127.4	173.9	42.6	0	0	0	0	110.9
728	G	42.4	Very low	37.6	Very low	54 Å²	54	123.4 Å²	123.4	56%	0.557	69%	0.692	S	S	*	*			trans	161.7	-16.6	170.2	0	0	0	0	0	117.9	A730	G728-A730 PolarHBondContact O-N 3.4Å
729	S	46.3	Very low	38.3	Very low	90 Å²	90	120.9 Å²	120.9	63%	0.629	68%	0.676	S	S	*	*	H	α-helix	trans	-71.3	-31.6	-169.9	54.2	0	0	0	0	115.9	E731 L733	S729-E731 PolarHBondContact O-N 2.84Å; S729-L733 PolarHBondContact O-N 3.4Å; S729-L733 VanDerWaalsContact O-N 3.13Å
730	A	37.7	Very low	39	Very low	67 Å²	67	113.6 Å²	113.6	55%	0.554	66%	0.659	S	S	*	*	H	α-helix	trans	-66.6	-38	-175.4	0	0	0	0	0	113.2	G728 L733 L734	G728-A730 PolarHBondContact O-N 3.4Å; A730-L733 PolarHBondContact O-N 3.17Å; A730-L734 PolarHBondContact O-N 2.86Å
731	E	41	Very low	39.9	Very low	135 Å²	135	111.1 Å²	111.1	63%	0.631	65%	0.65	S	S	*	*	H	α-helix	trans	-73.6	-38.4	-179.4	-169	169.9	-175.6	0	0	111.6	S729 L733 L734 Q735	S729-E731 PolarHBondContact O-N 2.84Å; E731-L733 VanDerWaalsContact C-N 3.33Å; E731-L733 PolarHBondContact O-N 3.5Å; E731-L734 PolarHBondContact O-N 3.46Å; E731-Q735 WeakPolarHBondContact O-CB 3.49Å; E731-Q735 WeakPolarHBondContact O-CG 3.42Å; E731-Q735 PolarHBondContact O-N 3.48Å
732	A	42.8	Very low	40.5	Very low	50 Å²	50	109.1 Å²	109.1	41%	0.413	63%	0.628	S	S	.	*	H	α-helix	trans	-65.7	-32.8	174	0	0	0	0	0	113.1	N736	A732-N736 WeakPolarHBondContact O-CB 3.23Å; A732-N736 PolarHBondContact O-N 2.93Å; A732-N736 PolarHBondContact O-ND2 3.38Å
733	L	46.8	Very low	41	Very low	124 Å²	124	105.8 Å²	105.8	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-69.9	-43.4	171.6	-79.5	167.7	0	0	0	111.8	S729 A730 E731 N736 A737	S729-L733 PolarHBondContact O-N 3.4Å; S729-L733 VanDerWaalsContact O-N 3.13Å; A730-L733 PolarHBondContact O-N 3.17Å; E731-L733 VanDerWaalsContact C-N 3.33Å; E731-L733 PolarHBondContact O-N 3.5Å; L733-N736 PolarHBondContact O-N 3.27Å; L733-A737 WeakPolarHBondContact O-CB 3.48Å; L733-A737 PolarHBondContact O-N 2.98Å
734	L	46.6	Very low	41.3	Very low	126 Å²	126	107.8 Å²	107.8	66%	0.66	61%	0.611	S	S	*	*	H	α-helix	trans	-61.9	-43.6	174.8	-88.8	161.6	0	0	0	112.1	A730 E731 A737 Y738	A730-L734 PolarHBondContact O-N 2.86Å; E731-L734 PolarHBondContact O-N 3.46Å; L734-A737 PolarHBondContact O-N 3.43Å; L734-Y738 WeakPolarHBondContact O-CB 3.26Å; L734-Y738 PolarHBondContact O-N 3.2Å
735	Q	42.1	Very low	41.8	Very low	123 Å²	123	109.4 Å²	109.4	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-66.4	-40.1	177	-72.1	-179.6	5.4	0	0	112.4	E731 Y738 Q739	E731-Q735 WeakPolarHBondContact O-CB 3.49Å; E731-Q735 WeakPolarHBondContact O-CG 3.42Å; E731-Q735 PolarHBondContact O-N 3.48Å; Q735-Y738 PolarHBondContact O-N 2.97Å; Q735-Q739 WeakPolarHBondContact O-CB 3.38Å; Q735-Q739 PolarHBondContact O-N 3Å
736	N	43.8	Very low	41.9	Very low	117 Å²	117	108.5 Å²	108.5	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-64.2	-43.1	173.2	-89.5	-78.8	0	0	0	112.3	A732 L733 Y738 Q739 A740	A732-N736 WeakPolarHBondContact O-CB 3.23Å; A732-N736 PolarHBondContact O-N 2.93Å; A732-N736 PolarHBondContact O-ND2 3.38Å; L733-N736 PolarHBondContact O-N 3.27Å; N736-Y738 VanDerWaalsContact C-N 3.35Å; N736-Y738 PolarHBondContact O-N 3.48Å; N736-Q739 PolarHBondContact O-N 2.93Å; N736-A740 VanDerWaalsContact O-CB 3.31Å; N736-A740 WeakPolarHBondContact O-CB 3.27Å; N736-A740 PolarHBondContact O-N 3.49Å
737	A	46.3	Very low	42.1	Very low	51 Å²	51	107.7 Å²	107.7	42%	0.421	60%	0.595	S	S	.	*	H	α-helix	trans	-61.6	-43.4	175.5	0	0	0	0	0	111.6	L733 L734 A740 I741	L733-A737 WeakPolarHBondContact O-CB 3.48Å; L733-A737 PolarHBondContact O-N 2.98Å; L734-A737 PolarHBondContact O-N 3.43Å; A737-A740 PolarHBondContact O-N 2.88Å; A737-I741 WeakPolarHBondContact O-CD1 3.28Å; A737-I741 VanDerWaalsContact O-CG1 3.27Å; A737-I741 WeakPolarHBondContact O-CG1 3.45Å; A737-I741 PolarHBondContact O-N 2.79Å
738	Y	39.1	Very low	41.4	Very low	183 Å²	183	108 Å²	108	72%	0.718	59%	0.589	S	S	*	*	H	α-helix	trans	-64.8	-40.7	177.9	-148.9	-92	0	0	0	112.1	L734 Q735 N736 H742	L734-Y738 WeakPolarHBondContact O-CB 3.26Å; L734-Y738 PolarHBondContact O-N 3.2Å; Q735-Y738 PolarHBondContact O-N 2.97Å; N736-Y738 VanDerWaalsContact C-N 3.35Å; N736-Y738 PolarHBondContact O-N 3.48Å; Y738-H742 VanDerWaalsContact O-CB 3.29Å; Y738-H742 WeakPolarHBondContact O-CB 3.39Å; Y738-H742 PolarHBondContact O-N 3.33Å
739	Q	44.6	Very low	41.2	Very low	101 Å²	101	111.4 Å²	111.4	47%	0.472	60%	0.604	S	S	.	*	H	α-helix	trans	-71	-35.9	176.9	-168.3	63.1	61.2	0	0	112.4	Q735 N736 H742 N743	Q735-Q739 WeakPolarHBondContact O-CB 3.38Å; Q735-Q739 PolarHBondContact O-N 3Å; N736-Q739 PolarHBondContact O-N 2.93Å; Q739-H742 PolarHBondContact O-N 3.39Å; Q739-N743 PolarHBondContact NE2-OD1 3.17Å; Q739-N743 WeakPolarHBondContact O-CB 3.18Å; Q739-N743 PolarHBondContact O-N 3.31Å; Q739-N743 PolarHBondContact O-ND2 2.96Å; Q739-N743 PolarHBondContact O-OD1 2.88Å
740	A	41.8	Very low	40.5	Very low	55 Å²	55	110 Å²	110	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-61.4	-51.9	173.7	0	0	0	0	0	110.8	N736 A737 H742 N743 E744	N736-A740 VanDerWaalsContact O-CB 3.31Å; N736-A740 WeakPolarHBondContact O-CB 3.27Å; N736-A740 PolarHBondContact O-N 3.49Å; A737-A740 PolarHBondContact O-N 2.88Å; A740-H742 VanDerWaalsContact C-N 3.33Å; A740-H742 PolarHBondContact O-N 3.41Å; A740-N743 PolarHBondContact O-N 2.86Å; A740-N743 VanDerWaalsContact O-N 3.12Å; A740-E744 WeakPolarHBondContact O-CB 3.4Å; A740-E744 PolarHBondContact O-N 3.03Å
741	I	46.6	Very low	40	Very low	100 Å²	100	115.9 Å²	115.9	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-60.2	-41.8	177.2	-66	163.8	0	0	0	111.1	A737 N743 E744 M745	A737-I741 WeakPolarHBondContact O-CD1 3.28Å; A737-I741 VanDerWaalsContact O-CG1 3.27Å; A737-I741 WeakPolarHBondContact O-CG1 3.45Å; A737-I741 PolarHBondContact O-N 2.79Å; I741-N743 VanDerWaalsContact C-N 3.31Å; I741-N743 PolarHBondContact O-N 3.4Å; I741-E744 PolarHBondContact O-N 3.22Å; I741-M745 WeakPolarHBondContact O-CB 3.47Å; I741-M745 VanDerWaalsContact O-CG 3.24Å; I741-M745 WeakPolarHBondContact O-CG 3.39Å; I741-M745 PolarHBondContact O-N 3.36Å
742	H	39.3	Very low	39.6	Very low	80 Å²	80	114.9 Å²	114.9	37%	0.37	63%	0.626	S	S	.	*	H	α-helix	trans	-70	-25.6	177.9	-177.7	-89.4	0	0	0	113.5	Y738 Q739 A740 R746	Y738-H742 VanDerWaalsContact O-CB 3.29Å; Y738-H742 WeakPolarHBondContact O-CB 3.39Å; Y738-H742 PolarHBondContact O-N 3.33Å; Q739-H742 PolarHBondContact O-N 3.39Å; A740-H742 VanDerWaalsContact C-N 3.33Å; A740-H742 PolarHBondContact O-N 3.41Å; H742-R746 PolarHBondContact CE1-NH2 3.39Å; H742-R746 PolarHBondContact NE2-NH2 3.42Å
743	N	40.3	Very low	39	Very low	93 Å²	93	118.1 Å²	118.1	50%	0.497	64%	0.642	S	S	.	*	H	α-helix	trans	-78.4	-41.7	173	-69.1	-8.1	0	0	0	111.4	Q739 A740 I741 M745 R746	Q739-N743 PolarHBondContact NE2-OD1 3.17Å; Q739-N743 WeakPolarHBondContact O-CB 3.18Å; Q739-N743 PolarHBondContact O-N 3.31Å; Q739-N743 PolarHBondContact O-ND2 2.96Å; Q739-N743 PolarHBondContact O-OD1 2.88Å; A740-N743 PolarHBondContact O-N 2.86Å; A740-N743 VanDerWaalsContact O-N 3.12Å; I741-N743 VanDerWaalsContact C-N 3.31Å; I741-N743 PolarHBondContact O-N 3.4Å; N743-M745 VanDerWaalsContact C-N 3.29Å; N743-M745 PolarHBondContact O-N 3.43Å; N743-R746 PolarHBondContact O-N 2.69Å
744	E	45.3	Very low	38.7	Very low	155 Å²	155	122.1 Å²	122.1	72%	0.724	66%	0.658	S	S	*	*	H	α-helix	trans	-58	-41.1	174.2	-171.9	172	-161	0	0	111.2	A740 I741 R746	A740-E744 WeakPolarHBondContact O-CB 3.4Å; A740-E744 PolarHBondContact O-N 3.03Å; I741-E744 PolarHBondContact O-N 3.22Å; E744-R746 PolarHBondContact O-N 2.92Å; E744-R746 VanDerWaalsContact O-N 3.12Å
745	M	34.5	Very low	38.2	Very low	157 Å²	157	119.9 Å²	119.9	77%	0.773	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	1.1	173.6	-73.1	-66.8	-58.1	0	0	115.5	I741 N743	I741-M745 WeakPolarHBondContact O-CB 3.47Å; I741-M745 VanDerWaalsContact O-CG 3.24Å; I741-M745 WeakPolarHBondContact O-CG 3.39Å; I741-M745 PolarHBondContact O-N 3.36Å; N743-M745 VanDerWaalsContact C-N 3.29Å; N743-M745 PolarHBondContact O-N 3.43Å
746	R	38.5	Very low	37.6	Very low	188 Å²	188	120.1 Å²	120.1	71%	0.709	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-5.6	-171	-168.9	169	-71.1	-121.6	3.4	115.8	H742 N743 E744	H742-R746 PolarHBondContact CE1-NH2 3.39Å; H742-R746 PolarHBondContact NE2-NH2 3.42Å; N743-R746 PolarHBondContact O-N 2.69Å; E744-R746 PolarHBondContact O-N 2.92Å; E744-R746 VanDerWaalsContact O-N 3.12Å
747	G	33.1	Very low	37.7	Very low	57 Å²	57	119.4 Å²	119.4	59%	0.588	69%	0.689	S	S	*	*			trans	-155.9	91.8	-172.2	0	0	0	0	0	117.5
748	I	31.5	Very low	37.7	Very low	161 Å²	161	120 Å²	120	83%	0.826	69%	0.694	S	S	*	*			trans	-133.4	92.4	147.5	-49.8	178.9	0	0	0	109
749	S	38.6	Very low	38.4	Very low	126 Å²	126	116.4 Å²	116.4	88%	0.881	69%	0.693	S	S	*	*			trans	-111.1	128.6	148.7	62.2	0	0	0	0	107.5
750	G	31.1	Very low	39.4	Very low	62 Å²	62	116.4 Å²	116.4	64%	0.639	69%	0.691	S	S	*	*	S	Bend	trans	135.2	147.9	-166.9	0	0	0	0	0	111.3
751	Q	26.9	Very low	40.9	Very low	189 Å²	189	116.4 Å²	116.4	88%	0.883	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58.5	148.9	-167.1	-68.7	172.1	-105.7	0	0	114.7
752	P	33.1	Very low	42.4	Very low	115 Å²	115	115.1 Å²	115.1	75%	0.747	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-73.5	146.9	171.7	32.1	-35.3	0	0	0	111.8
753	P	29.6	Very low	44.2	Very low	118 Å²	118	112.6 Å²	112.6	77%	0.766	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.3	159.8	-11.5	27.6	0	0	0	110.7	G755	P753-G755 PolarHBondContact O-N 2.84Å
754	E	41.1	Very low	45.5	Very low	208 Å²	208	110.9 Å²	110.9	97%	0.972	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	120.9	171	-66.5	170.8	106.6	0	0	110.1
755	G	35.9	Very low	46.4	Very low	78 Å²	78	104.7 Å²	104.7	80%	0.804	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.2	-23.4	170.6	0	0	0	0	0	117.4	P753	P753-G755 PolarHBondContact O-N 2.84Å
756	C	27.9	Very low	47.3	Very low	128 Å²	128	104.4 Å²	104.4	87%	0.865	63%	0.633	S	S	*	*			trans	-104.2	118.6	179.9	-69.7	0	0	0	0	112	A758	C756-A758 PolarHBondContact O-N 2.85Å
757	A	46	Very low	48.1	Very low	102 Å²	102	98.8 Å²	98.8	84%	0.843	62%	0.617	S	S	*	*			trans	-68.8	116.8	171.1	0	0	0	0	0	110.1
758	A	46.1	Very low	48.9	Very low	63 Å²	63	104.4 Å²	104.4	52%	0.521	63%	0.632	S	S	.	*			trans	-59.9	150.6	173.2	0	0	0	0	0	111	C756 K760	C756-A758 PolarHBondContact O-N 2.85Å; A758-K760 PolarHBondContact O-N 2.77Å
759	P	53.8	Low	50	Low	109 Å²	109	103.2 Å²	103.2	71%	0.708	63%	0.633	S	S	*	*			trans	-59.6	108	179.3	23.8	-33.8	0	0	0	110.7	V761	P759-V761 PolarHBondContact O-N 2.94Å
760	K	65.8	Low	51.1	Low	100 Å²	100	100.1 Å²	100.1	44%	0.435	61%	0.607	S	S	.	*			trans	-77.3	94.4	-172.8	-164.1	179	-170.9	178.8	0	110.7	Y20 A758 I762 Y795	Y20-K760 HydrophobicContact CD2-CD 4.46Å; Y20-K760 HydrophobicContact CE2-CD 4.23Å; A758-K760 PolarHBondContact O-N 2.77Å; K760-I762 HydrophobicContact CG-CG1 4.24Å; K760-I762 PolarHBondContact O-N 3.49Å; K760-Y795 HydrophobicContact CD-CD2 4.1Å; K760-Y795 HydrophobicContact CD-CE2 4.17Å; K760-Y795 HydrophobicContact CD-CG 4.38Å; K760-Y795 VanDerWaalsContact CE-CD2 3.4Å; K760-Y795 VanDerWaalsContact CE-CE2 3.49Å; K760-Y795 HydrophobicContact CG-CD2 3.44Å; K760-Y795 VanDerWaalsContact CG-CD2 3.44Å; K760-Y795 HydrophobicContact CG-CE2 3.64Å; K760-Y795 HydrophobicContact CG-CG 4.11Å
761	V	74.6	Confident	53.2	Low	55 Å²	55	101 Å²	101	33%	0.333	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	116.9	174.4	-175.4	0	0	0	0	109.2	P759 V791 L794 Y795	P759-V761 PolarHBondContact O-N 2.94Å; V761-V791 HydrophobicContact CB-CG1 4.02Å; V761-V791 HydrophobicContact CG2-CG1 3.69Å; V761-V791 HydrophobicContact CG2-CG2 4.03Å; V761-L794 HydrophobicContact CB-CD1 4.08Å; V761-L794 HydrophobicContact CG1-CD1 3.63Å; V761-Y795 WeakPolarHBondContact O-CB 3.4Å; V761-Y795 PolarHBondContact O-N 2.83Å
762	I	78.3	Confident	55.5	Low	74 Å²	74	94.3 Å²	94.3	38%	0.379	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	131.1	177.7	-55	165.7	0	0	0	108.7	Y20 K760 Y795 A797	Y20-I762 HydrophobicContact CD2-CD1 3.64Å; Y20-I762 HydrophobicContact CD2-CG1 3.92Å; Y20-I762 HydrophobicContact CD2-CG2 4.43Å; Y20-I762 HydrophobicContact CE2-CD1 3.38Å; Y20-I762 HydrophobicContact CE2-CG1 4.16Å; K760-I762 HydrophobicContact CG-CG1 4.24Å; K760-I762 PolarHBondContact O-N 3.49Å; I762-Y795 CarbonylContact C-O 3.6Å; I762-Y795 VanDerWaalsContact CA-O 3.31Å; I762-Y795 WeakPolarHBondContact CA-O 3.32Å; I762-A797 HydrophobicContact CG2-CB 3.83Å
763	V	76.2	Confident	57.5	Low	26 Å²	26	91.6 Å²	91.6	16%	0.158	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.8	178.6	177.1	0	0	0	0	109.5	Q782 L794 Y795 F796 A797	V763-Q782 HydrophobicContact CG1-CG 4.38Å; V763-L794 HydrophobicContact CG2-CD1 3.67Å; V763-L794 HydrophobicContact CG2-CG 4.32Å; V763-Y795 PolarHBondContact N-O 3.2Å; V763-F796 HydrophobicContact CB-CD1 4.21Å; V763-F796 HydrophobicContact CB-CE1 4.25Å; V763-F796 HydrophobicContact CG1-CD1 4.13Å; V763-F796 HydrophobicContact CG1-CE1 3.91Å; V763-F796 WeakPolarHBondContact O-CA 3.48Å; V763-A797 PolarHBondContact O-N 3.45Å
764	S	67.6	Low	59.8	Low	57 Å²	57	88.9 Å²	88.9	40%	0.399	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.3	175.2	-51.5	0	0	0	0	109.8	H766	S764-H766 WeakPolarHBondContact CB-NE2 3.4Å; S764-H766 PolarHBondContact O-N 2.72Å
765	N	63.6	Low	61.8	Low	26 Å²	26	80.4 Å²	80.4	14%	0.139	49%	0.488	C	S	.	.			trans	-86.7	111.7	175.8	-80.1	-22.4	0	0	0	110.2	Q778 Q782 D800	N765-Q778 PolarHBondContact OD1-NE2 2.9Å; N765-Q782 PolarHBondContact OD1-NE2 3.49Å; N765-Q782 PolarHBondContact OD1-OE1 3Å; N765-Q782 VanDerWaalsContact OD1-OE1 3.09Å; N765-D800 WeakPolarHBondContact CB-OD2 3.45Å
766	H	54	Low	64.1	Low	151 Å²	151	76.8 Å²	76.8	70%	0.699	45%	0.45	S	S	*	.			trans	-122.6	41.6	-174.9	-67	-20	0	0	0	112.4	S764	S764-H766 WeakPolarHBondContact CB-NE2 3.4Å; S764-H766 PolarHBondContact O-N 2.72Å
767	N	55.2	Low	66.8	Low	70 Å²	70	73.6 Å²	73.6	37%	0.374	42%	0.424	S	S	.	.			trans	-105.1	95.6	174.3	-77.3	-26.4	0	0	0	110.8	T769 D770 Q778	N767-T769 VanDerWaalsContact C-N 3.27Å; N767-T769 PolarHBondContact O-N 3.18Å; N767-D770 HydrophobicContact CB-CB 4.33Å; N767-Q778 PolarHBondContact ND2-NE2 3.39Å; N767-Q778 PolarHBondContact ND2-OE1 3.06Å
768	L	50.9	Low	68.7	Low	174 Å²	174	71 Å²	71	91%	0.911	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.4	-174.7	-69.3	169.5	0	0	0	114.9
769	T	53.4	Low	70.6	Confident	137 Å²	137	68.1 Å²	68.1	84%	0.84	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	2.3	-170.3	52.6	0	0	0	0	114.3	N767	N767-T769 VanDerWaalsContact C-N 3.27Å; N767-T769 PolarHBondContact O-N 3.18Å
770	D	61.4	Low	72.2	Confident	61 Å²	61	62.9 Å²	62.9	33%	0.326	34%	0.337	S	S	.	.			trans	-89.6	150.1	-174.4	-105.4	-52.9	0	0	0	113.8	N767 N774 K775	N767-D770 HydrophobicContact CB-CB 4.33Å; D770-N774 HydrophobicContact CB-CB 4.07Å; D770-N774 WeakPolarHBondContact OD1-CB 3.5Å; D770-N774 PolarHBondContact OD1-ND2 3.3Å; D770-K775 HydrophobicContact CB-CG 4.35Å
771	T	75.4	Confident	73.3	Confident	79 Å²	79	62 Å²	62	49%	0.485	34%	0.336	S	S	.	.			trans	-70.5	155.6	175.4	72.2	0	0	0	0	111.2	Q773 N774 K775	T771-Q773 PolarHBondContact O-N 3.48Å; T771-Q773 VanDerWaalsContact O-N 3.16Å; T771-N774 WeakPolarHBondContact O-CA 3.33Å; T771-N774 WeakPolarHBondContact O-CB 3.35Å; T771-N774 PolarHBondContact O-N 3.5Å; T771-N774 VanDerWaalsContact OG1-CG 3.25Å; T771-N774 PolarHBondContact OG1-N 2.83Å; T771-N774 PolarHBondContact OG1-OD1 3.09Å; T771-K775 PolarHBondContact O-N 2.85Å
772	V	75.4	Confident	74	Confident	49 Å²	49	61.6 Å²	61.6	30%	0.297	33%	0.33	S	S	.	.	H	α-helix	trans	-53	-38.1	176.8	-174.5	0	0	0	0	112	K775 Q776 E801 I803	V772-K775 PolarHBondContact O-N 2.88Å; V772-Q776 VanDerWaalsContact O-CG 3.3Å; V772-Q776 WeakPolarHBondContact O-CG 2.92Å; V772-Q776 PolarHBondContact O-N 2.83Å; V772-E801 WeakPolarHBondContact CG2-OE2 3.4Å; V772-I803 HydrophobicContact CG1-CD1 4.24Å
773	Q	74.3	Confident	74.4	Confident	58 Å²	58	58 Å²	58	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-38.8	175.5	-70.6	-173	-25.8	0	0	112.5	T771 Q776 L777 Y831	T771-Q773 PolarHBondContact O-N 3.48Å; T771-Q773 VanDerWaalsContact O-N 3.16Å; Q773-Q776 PolarHBondContact O-N 3.44Å; Q773-L777 WeakPolarHBondContact O-CB 3.34Å; Q773-L777 PolarHBondContact O-N 3.49Å; Q773-Y831 PolarHBondContact NE2-OH 2.98Å
774	N	78.9	Confident	75	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-69.8	-41.8	177	-65.3	-3	0	0	0	111.3	D770 T771 Q776 L777 Q778	D770-N774 HydrophobicContact CB-CB 4.07Å; D770-N774 WeakPolarHBondContact OD1-CB 3.5Å; D770-N774 PolarHBondContact OD1-ND2 3.3Å; T771-N774 WeakPolarHBondContact O-CA 3.33Å; T771-N774 WeakPolarHBondContact O-CB 3.35Å; T771-N774 PolarHBondContact O-N 3.5Å; T771-N774 VanDerWaalsContact OG1-CG 3.25Å; T771-N774 PolarHBondContact OG1-N 2.83Å; T771-N774 PolarHBondContact OG1-OD1 3.09Å; N774-Q776 VanDerWaalsContact C-N 3.35Å; N774-Q776 PolarHBondContact O-N 2.81Å; N774-L777 PolarHBondContact O-N 2.82Å; N774-Q778 WeakPolarHBondContact O-CB 3.16Å; N774-Q778 PolarHBondContact O-N 3.35Å
775	K	82.4	Confident	76	Confident	30 Å²	30	55.6 Å²	55.6	13%	0.13	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-45.6	172.6	-70.5	-171.5	176.7	-173.4	0	111.8	D770 T771 V772 Q778 A779 D800 I803	D770-K775 HydrophobicContact CB-CG 4.35Å; T771-K775 PolarHBondContact O-N 2.85Å; V772-K775 PolarHBondContact O-N 2.88Å; K775-Q778 PolarHBondContact O-N 3.5Å; K775-A779 WeakPolarHBondContact O-CB 3.31Å; K775-A779 PolarHBondContact O-N 3.36Å; K775-D800 WeakPolarHBondContact CE-OD1 3.39Å; K775-D800 IonicContact NZ-OD1 3.71Å; K775-D800 PolarHBondContact NZ-OD1 2.85Å; K775-I803 HydrophobicContact CB-CD1 3.71Å; K775-I803 HydrophobicContact CD-CD1 4.32Å
776	Q	84	Confident	77.1	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-45.6	175.8	-74.1	178.7	-1.2	0	0	112.2	V772 Q773 N774 A779 V780 I803 L849 L850	V772-Q776 VanDerWaalsContact O-CG 3.3Å; V772-Q776 WeakPolarHBondContact O-CG 2.92Å; V772-Q776 PolarHBondContact O-N 2.83Å; Q773-Q776 PolarHBondContact O-N 3.44Å; N774-Q776 VanDerWaalsContact C-N 3.35Å; N774-Q776 PolarHBondContact O-N 2.81Å; Q776-A779 PolarHBondContact O-N 2.94Å; Q776-V780 WeakPolarHBondContact O-CG2 3.3Å; Q776-V780 PolarHBondContact O-N 2.86Å; Q776-I803 HydrophobicContact CG-CD1 3.78Å; Q776-I803 HydrophobicContact CG-CG1 3.85Å; Q776-I803 HydrophobicContact CG-CG2 4.08Å; Q776-L849 HydrophobicContact CB-CB 4.31Å; Q776-L849 VanDerWaalsContact OE1-N 3.09Å; Q776-L850 HydrophobicContact CB-CG 4.31Å; Q776-L850 HydrophobicContact CG-CD1 3.96Å; Q776-L850 HydrophobicContact CG-CG 4.11Å
777	L	85.8	Confident	78.6	Confident	61 Å²	61	47.6 Å²	47.6	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-42.4	177.8	-179.4	60.3	0	0	0	111.8	Q773 N774 V780 L781 V828 L849	Q773-L777 WeakPolarHBondContact O-CB 3.34Å; Q773-L777 PolarHBondContact O-N 3.49Å; N774-L777 PolarHBondContact O-N 2.82Å; L777-V780 PolarHBondContact O-N 2.82Å; L777-L781 HydrophobicContact CD1-CD1 4.04Å; L777-L781 HydrophobicContact CD1-CG 4.13Å; L777-L781 HydrophobicContact CG-CD1 3.93Å; L777-L781 HydrophobicContact CG-CG 4.43Å; L777-L781 WeakPolarHBondContact O-CB 3.23Å; L777-L781 VanDerWaalsContact O-CG 3.26Å; L777-L781 WeakPolarHBondContact O-CG 3.43Å; L777-L781 PolarHBondContact O-N 3.43Å; L777-V828 HydrophobicContact CD1-CG1 3.74Å; L777-L849 HydrophobicContact CB-CD2 3.87Å; L777-L849 HydrophobicContact CD1-CD2 3.86Å; L777-L849 HydrophobicContact CG-CD2 4.49Å
778	Q	85.8	Confident	79.9	Confident	48 Å²	48	45.6 Å²	45.6	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-47.7	174.2	174.2	174.4	-9.7	0	0	111.6	N765 N767 N774 K775 V780 L781 Q782	N765-Q778 PolarHBondContact OD1-NE2 2.9Å; N767-Q778 PolarHBondContact ND2-NE2 3.39Å; N767-Q778 PolarHBondContact ND2-OE1 3.06Å; N774-Q778 WeakPolarHBondContact O-CB 3.16Å; N774-Q778 PolarHBondContact O-N 3.35Å; K775-Q778 PolarHBondContact O-N 3.5Å; Q778-V780 PolarHBondContact O-N 3.28Å; Q778-L781 PolarHBondContact O-N 3.01Å; Q778-Q782 HydrophobicContact CG-CG 4.43Å; Q778-Q782 WeakPolarHBondContact O-CB 3.4Å; Q778-Q782 VanDerWaalsContact O-CG 3.25Å; Q778-Q782 WeakPolarHBondContact O-CG 3.46Å; Q778-Q782 PolarHBondContact O-N 3.46Å; Q778-Q782 PolarHBondContact O-OE1 2.97Å
779	A	86.3	Confident	81.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-40.3	179.9	0	0	0	0	0	112.6	K775 Q776 W783 F796 I803 L807	K775-A779 WeakPolarHBondContact O-CB 3.31Å; K775-A779 PolarHBondContact O-N 3.36Å; Q776-A779 PolarHBondContact O-N 2.94Å; A779-W783 WeakPolarHBondContact O-CB 3.48Å; A779-W783 PolarHBondContact O-N 2.85Å; A779-F796 HydrophobicContact CB-CE1 4.13Å; A779-F796 HydrophobicContact CB-CZ 4.35Å; A779-I803 HydrophobicContact CB-CG2 4.29Å; A779-L807 HydrophobicContact CB-CD2 3.82Å
780	V	87.6	Confident	82.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-42.2	173.2	172.5	0	0	0	0	111.5	Q776 L777 Q778 W783 V784 L807 V824 V828 L849 L850 L853	Q776-V780 WeakPolarHBondContact O-CG2 3.3Å; Q776-V780 PolarHBondContact O-N 2.86Å; L777-V780 PolarHBondContact O-N 2.82Å; Q778-V780 PolarHBondContact O-N 3.28Å; V780-W783 HydrophobicContact CG1-CE3 4.47Å; V780-W783 PolarHBondContact O-N 2.99Å; V780-V784 HydrophobicContact CG1-CG2 4.41Å; V780-V784 WeakPolarHBondContact O-CB 3.44Å; V780-V784 WeakPolarHBondContact O-CG2 3.3Å; V780-V784 PolarHBondContact O-N 2.93Å; V780-L807 HydrophobicContact CG2-CD1 4.35Å; V780-V824 HydrophobicContact CG1-CG1 4.35Å; V780-V828 HydrophobicContact CG1-CG2 3.87Å; V780-L849 HydrophobicContact CG2-CD2 4.27Å; V780-L850 HydrophobicContact CG2-CD2 3.55Å; V780-L853 HydrophobicContact CG1-CD1 4.17Å; V780-L853 HydrophobicContact CG2-CD1 3.98Å
781	L	88.9	Confident	83.9	Confident	80 Å²	80	40.6 Å²	40.6	42%	0.419	22%	0.219	S	C	.	.	H	α-helix	trans	-68.5	-36.4	178.2	-72.1	172.3	0	0	0	112.7	L777 Q778 A785 L825	L777-L781 HydrophobicContact CD1-CD1 4.04Å; L777-L781 HydrophobicContact CD1-CG 4.13Å; L777-L781 HydrophobicContact CG-CD1 3.93Å; L777-L781 HydrophobicContact CG-CG 4.43Å; L777-L781 WeakPolarHBondContact O-CB 3.23Å; L777-L781 VanDerWaalsContact O-CG 3.26Å; L777-L781 WeakPolarHBondContact O-CG 3.43Å; L777-L781 PolarHBondContact O-N 3.43Å; Q778-L781 PolarHBondContact O-N 3.01Å; L781-A785 VanDerWaalsContact O-CB 3.29Å; L781-A785 WeakPolarHBondContact O-CB 3.35Å; L781-A785 PolarHBondContact O-N 3.02Å; L781-L825 HydrophobicContact CD2-CD1 4.37Å
782	Q	87.7	Confident	83.8	Confident	47 Å²	47	40.7 Å²	40.7	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-42.8	171.7	-73.1	161.9	-27	0	0	111.3	V763 N765 Q778 A785 A786 F796	V763-Q782 HydrophobicContact CG1-CG 4.38Å; N765-Q782 PolarHBondContact OD1-NE2 3.49Å; N765-Q782 PolarHBondContact OD1-OE1 3Å; N765-Q782 VanDerWaalsContact OD1-OE1 3.09Å; Q778-Q782 HydrophobicContact CG-CG 4.43Å; Q778-Q782 WeakPolarHBondContact O-CB 3.4Å; Q778-Q782 VanDerWaalsContact O-CG 3.25Å; Q778-Q782 WeakPolarHBondContact O-CG 3.46Å; Q778-Q782 PolarHBondContact O-N 3.46Å; Q778-Q782 PolarHBondContact O-OE1 2.97Å; Q782-A785 PolarHBondContact O-N 3.38Å; Q782-A786 WeakPolarHBondContact O-CB 3.35Å; Q782-A786 PolarHBondContact O-N 3.31Å; Q782-F796 HydrophobicContact CB-CZ 4.47Å
783	W	88.6	Confident	84	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-45.3	175.8	172.4	54.7	0	0	0	112.8	V14 C15 V17 A779 V780 A786 S787 L794 L807 L810 A814 V824	V14-W783 HydrophobicContact CB-CH2 4.27Å; V14-W783 HydrophobicContact CB-CZ2 3.59Å; V14-W783 HydrophobicContact CG1-CH2 4.09Å; V14-W783 HydrophobicContact CG1-CZ2 3.88Å; V14-W783 HydrophobicContact CG2-CH2 4.49Å; V14-W783 HydrophobicContact CG2-CZ2 3.89Å; C15-W783 PolarHBondContact O-NE1 3.12Å; V17-W783 VanDerWaalsContact CG2-CD1 3.46Å; V17-W783 HydrophobicContact CG2-CG 4.07Å; A779-W783 WeakPolarHBondContact O-CB 3.48Å; A779-W783 PolarHBondContact O-N 2.85Å; V780-W783 HydrophobicContact CG1-CE3 4.47Å; V780-W783 PolarHBondContact O-N 2.99Å; W783-A786 PolarHBondContact O-N 3.13Å; W783-S787 WeakPolarHBondContact O-CB 3.34Å; W783-S787 PolarHBondContact O-N 3.15Å; W783-S787 PolarHBondContact O-OG 3.35Å; W783-L794 HydrophobicContact CB-CD2 4.27Å; W783-L807 HydrophobicContact CD2-CD1 4.3Å; W783-L807 HydrophobicContact CE3-CD1 4.13Å; W783-L807 HydrophobicContact CG-CD1 4.48Å; W783-L810 HydrophobicContact CH2-CG 4.44Å; W783-L810 HydrophobicContact CZ3-CD2 4.25Å; W783-L810 HydrophobicContact CZ3-CG 4.42Å; W783-A814 HydrophobicContact CH2-CB 3.87Å; W783-A814 HydrophobicContact CZ2-CB 4.16Å; W783-V824 HydrophobicContact CE3-CG1 4.35Å; W783-V824 HydrophobicContact CH2-CG1 4.49Å; W783-V824 HydrophobicContact CH2-CG2 4.03Å; W783-V824 HydrophobicContact CZ3-CG1 3.73Å; W783-V824 HydrophobicContact CZ3-CG2 4.1Å
784	V	88.6	Confident	84.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-45.7	173.3	159.4	0	0	0	0	111.3	W7 V780 S787 E788 V821 V824	W7-V784 HydrophobicContact CE3-CG1 3.92Å; W7-V784 HydrophobicContact CZ3-CG1 3.98Å; V780-V784 HydrophobicContact CG1-CG2 4.41Å; V780-V784 WeakPolarHBondContact O-CB 3.44Å; V780-V784 WeakPolarHBondContact O-CG2 3.3Å; V780-V784 PolarHBondContact O-N 2.93Å; V784-S787 WeakPolarHBondContact O-CB 3.48Å; V784-S787 PolarHBondContact O-N 3.07Å; V784-E788 PolarHBondContact O-N 2.92Å; V784-V821 HydrophobicContact CG1-CG1 4.09Å; V784-V824 HydrophobicContact CG2-CB 4.29Å; V784-V824 HydrophobicContact CG2-CG1 3.66Å
785	A	87.3	Confident	84.6	Confident	30 Å²	30	37.2 Å²	37.2	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-37.6	178	0	0	0	0	0	113.2	W7 L781 Q782 L789	W7-A785 HydrophobicContact CH2-CB 3.93Å; W7-A785 HydrophobicContact CZ3-CB 4.05Å; L781-A785 VanDerWaalsContact O-CB 3.29Å; L781-A785 WeakPolarHBondContact O-CB 3.35Å; L781-A785 PolarHBondContact O-N 3.02Å; Q782-A785 PolarHBondContact O-N 3.38Å; A785-L789 WeakPolarHBondContact O-CB 3.42Å; A785-L789 VanDerWaalsContact O-CG 3.28Å; A785-L789 WeakPolarHBondContact O-CG 3.28Å; A785-L789 PolarHBondContact O-N 3.22Å; A785-L789 VanDerWaalsContact O-N 3.12Å
786	A	86.8	Confident	84.6	Confident	8 Å²	8	36.3 Å²	36.3	7%	0.066	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-38.8	174.1	0	0	0	0	0	112	Q782 W783 L789 N790 V791 L794	Q782-A786 WeakPolarHBondContact O-CB 3.35Å; Q782-A786 PolarHBondContact O-N 3.31Å; W783-A786 PolarHBondContact O-N 3.13Å; A786-L789 CarbonylContact O-C 3.59Å; A786-L789 PolarHBondContact O-N 2.96Å; A786-N790 PolarHBondContact O-N 3.45Å; A786-V791 HydrophobicContact CB-CB 4.16Å; A786-V791 HydrophobicContact CB-CG2 4.24Å; A786-V791 WeakPolarHBondContact O-CB 3.47Å; A786-V791 WeakPolarHBondContact O-CG2 3.45Å; A786-V791 PolarHBondContact O-N 2.88Å; A786-L794 HydrophobicContact CB-CD1 3.87Å; A786-L794 HydrophobicContact CB-CD2 3.83Å; A786-L794 HydrophobicContact CB-CG 4.3Å
787	S	86.7	Confident	84	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-46.5	175.4	-57.6	0	0	0	0	111.7	C15 W783 V784 L789 N790 V821	C15-S787 PolarHBondContact N-OG 2.89Å; C15-S787 PolarHBondContact SG-OG 3.38Å; C15-S787 VanDerWaalsContact SG-OG 3.36Å; W783-S787 WeakPolarHBondContact O-CB 3.34Å; W783-S787 PolarHBondContact O-N 3.15Å; W783-S787 PolarHBondContact O-OG 3.35Å; V784-S787 WeakPolarHBondContact O-CB 3.48Å; V784-S787 PolarHBondContact O-N 3.07Å; S787-L789 PolarHBondContact O-N 3.49Å; S787-N790 WeakPolarHBondContact O-CA 3.33Å; S787-N790 PolarHBondContact O-N 3.49Å; S787-V821 VanDerWaalsContact CB-CG2 3.49Å
788	E	82.6	Confident	83	Confident	28 Å²	28	37.2 Å²	37.2	13%	0.131	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-27.3	176.9	-170.9	57.6	-153.7	0	0	112.7	V5 W7 S10 N12 V784 N790 V821	V5-E788 VanDerWaalsContact CG1-OE1 3.24Å; V5-E788 WeakPolarHBondContact CG1-OE1 3.43Å; W7-E788 HydrophobicContact CD2-CG 4.26Å; W7-E788 HydrophobicContact CH2-CB 4.39Å; W7-E788 HydrophobicContact CH2-CG 4.44Å; W7-E788 HydrophobicContact CZ2-CB 4.48Å; W7-E788 HydrophobicContact CZ2-CG 4.05Å; W7-E788 HydrophobicContact CZ3-CB 4.49Å; S10-E788 WeakPolarHBondContact CB-OE2 3.31Å; S10-E788 PolarHBondContact OG-OE2 2.93Å; N12-E788 PolarHBondContact ND2-OE1 3.41Å; N12-E788 PolarHBondContact ND2-OE2 3.4Å; V784-E788 PolarHBondContact O-N 2.92Å; E788-N790 PolarHBondContact O-N 3.14Å; E788-N790 PolarHBondContact O-ND2 3.29Å; E788-V821 HydrophobicContact CB-CG1 4.47Å
789	L	84	Confident	81.8	Confident	129 Å²	129	41.5 Å²	41.5	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	7.2	171	-68.1	172.5	0	0	0	113.8	A785 A786 S787 V791	A785-L789 WeakPolarHBondContact O-CB 3.42Å; A785-L789 VanDerWaalsContact O-CG 3.28Å; A785-L789 WeakPolarHBondContact O-CG 3.28Å; A785-L789 PolarHBondContact O-N 3.22Å; A785-L789 VanDerWaalsContact O-N 3.12Å; A786-L789 CarbonylContact O-C 3.59Å; A786-L789 PolarHBondContact O-N 2.96Å; S787-L789 PolarHBondContact O-N 3.49Å; L789-V791 HydrophobicContact CB-CG2 4.29Å; L789-V791 PolarHBondContact O-N 2.89Å
790	N	81.2	Confident	80.8	Confident	117 Å²	117	42.8 Å²	42.8	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	31.4	-178.4	-67.4	-92.3	0	0	0	114	A786 S787 E788	A786-N790 PolarHBondContact O-N 3.45Å; S787-N790 WeakPolarHBondContact O-CA 3.33Å; S787-N790 PolarHBondContact O-N 3.49Å; E788-N790 PolarHBondContact O-N 3.14Å; E788-N790 PolarHBondContact O-ND2 3.29Å
791	V	82.8	Confident	79.8	Confident	22 Å²	22	49.3 Å²	49.3	13%	0.133	28%	0.28	C	S	.	.			trans	-68.5	125.2	169.5	178.3	0	0	0	0	108.2	C15 V761 A786 L789 I793	C15-V791 WeakPolarHBondContact CB-O 3.28Å; V761-V791 HydrophobicContact CB-CG1 4.02Å; V761-V791 HydrophobicContact CG2-CG1 3.69Å; V761-V791 HydrophobicContact CG2-CG2 4.03Å; A786-V791 HydrophobicContact CB-CB 4.16Å; A786-V791 HydrophobicContact CB-CG2 4.24Å; A786-V791 WeakPolarHBondContact O-CB 3.47Å; A786-V791 WeakPolarHBondContact O-CG2 3.45Å; A786-V791 PolarHBondContact O-N 2.88Å; L789-V791 HydrophobicContact CB-CG2 4.29Å; L789-V791 PolarHBondContact O-N 2.89Å; V791-I793 WeakPolarHBondContact CG1-O 3.31Å
792	P	73.1	Confident	79.1	Confident	80 Å²	80	46.8 Å²	46.8	52%	0.519	27%	0.273	S	S	.	.	S	Bend	trans	-76.3	-36.7	-174.2	28.1	-34.4	0	0	0	113.6	K16	K16-P792 PolarHBondContact N-O 2.92Å
793	I	81.2	Confident	78.8	Confident	62 Å²	62	44.8 Å²	44.8	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.3	178.4	-50.8	178.7	0	0	0	109.7	K16 D18 V791 Y795	K16-I793 CarbonylContact O-C 3.54Å; K16-I793 VanDerWaalsContact O-CA 3.25Å; K16-I793 WeakPolarHBondContact O-CA 3.32Å; D18-I793 HydrophobicContact CB-CG2 3.68Å; V791-I793 WeakPolarHBondContact CG1-O 3.31Å; I793-Y795 HydrophobicContact CB-CE2 3.98Å; I793-Y795 HydrophobicContact CG2-CD2 4.19Å; I793-Y795 HydrophobicContact CG2-CE2 3.53Å
794	L	84.2	Confident	78.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.3	177.5	-172.6	65.6	0	0	0	110.9	K16 V17 D18 V761 V763 W783 A786 F796	K16-L794 PolarHBondContact O-N 3.04Å; V17-L794 CarbonylContact C-O 3.54Å; V17-L794 WeakPolarHBondContact CA-O 3.33Å; D18-L794 PolarHBondContact N-O 2.89Å; V761-L794 HydrophobicContact CB-CD1 4.08Å; V761-L794 HydrophobicContact CG1-CD1 3.63Å; V763-L794 HydrophobicContact CG2-CD1 3.67Å; V763-L794 HydrophobicContact CG2-CG 4.32Å; W783-L794 HydrophobicContact CB-CD2 4.27Å; A786-L794 HydrophobicContact CB-CD1 3.87Å; A786-L794 HydrophobicContact CB-CD2 3.83Å; A786-L794 HydrophobicContact CB-CG 4.3Å; L794-F796 HydrophobicContact CD2-CE2 3.61Å; L794-F796 HydrophobicContact CD2-CZ 3.9Å; L794-F796 HydrophobicContact CG-CD2 4.5Å; L794-F796 HydrophobicContact CG-CE2 4.03Å
795	Y	81.8	Confident	78.1	Confident	34 Å²	34	51.8 Å²	51.8	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	-179.9	-70.3	-91	0	0	0	111.1	D18 K760 V761 I762 V763 I793	D18-Y795 HydrophobicContact CB-CD1 3.88Å; D18-Y795 HydrophobicContact CB-CE1 3.53Å; D18-Y795 VanDerWaalsContact CG-CE1 3.49Å; D18-Y795 WeakPolarHBondContact O-CA 3.32Å; D18-Y795 WeakPolarHBondContact OD2-CE1 3.46Å; D18-Y795 PolarHBondContact OD2-OH 2.88Å; K760-Y795 HydrophobicContact CD-CD2 4.1Å; K760-Y795 HydrophobicContact CD-CE2 4.17Å; K760-Y795 HydrophobicContact CD-CG 4.38Å; K760-Y795 VanDerWaalsContact CE-CD2 3.4Å; K760-Y795 VanDerWaalsContact CE-CE2 3.49Å; K760-Y795 HydrophobicContact CG-CD2 3.44Å; K760-Y795 VanDerWaalsContact CG-CD2 3.44Å; K760-Y795 HydrophobicContact CG-CE2 3.64Å; K760-Y795 HydrophobicContact CG-CG 4.11Å; V761-Y795 WeakPolarHBondContact O-CB 3.4Å; V761-Y795 PolarHBondContact O-N 2.83Å; I762-Y795 CarbonylContact C-O 3.6Å; I762-Y795 VanDerWaalsContact CA-O 3.31Å; I762-Y795 WeakPolarHBondContact CA-O 3.32Å; V763-Y795 PolarHBondContact N-O 3.2Å; I793-Y795 HydrophobicContact CB-CE2 3.98Å; I793-Y795 HydrophobicContact CG2-CD2 4.19Å; I793-Y795 HydrophobicContact CG2-CE2 3.53Å
796	F	80.8	Confident	78	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.044	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.1	169.3	-75.1	-98.1	0	0	0	111.2	V17 D18 Y20 V763 A779 Q782 L794 Q804 L807	V17-F796 HydrophobicContact CG1-CD2 3.63Å; V17-F796 HydrophobicContact CG1-CE2 3.91Å; V17-F796 HydrophobicContact CG2-CE2 4.15Å; D18-F796 PolarHBondContact O-N 2.85Å; Y20-F796 WeakPolarHBondContact CB-O 3.37Å; Y20-F796 PolarHBondContact N-O 3.46Å; Y20-F796 VanDerWaalsContact N-O 3.11Å; V763-F796 HydrophobicContact CB-CD1 4.21Å; V763-F796 HydrophobicContact CB-CE1 4.25Å; V763-F796 HydrophobicContact CG1-CD1 4.13Å; V763-F796 HydrophobicContact CG1-CE1 3.91Å; V763-F796 WeakPolarHBondContact O-CA 3.48Å; A779-F796 HydrophobicContact CB-CE1 4.13Å; A779-F796 HydrophobicContact CB-CZ 4.35Å; Q782-F796 HydrophobicContact CB-CZ 4.47Å; L794-F796 HydrophobicContact CD2-CE2 3.61Å; L794-F796 HydrophobicContact CD2-CZ 3.9Å; L794-F796 HydrophobicContact CG-CD2 4.5Å; L794-F796 HydrophobicContact CG-CE2 4.03Å; F796-Q804 HydrophobicContact CB-CG 4.19Å; F796-Q804 PolarHBondContact O-NE2 3.5Å; F796-L807 HydrophobicContact CD2-CD2 4.29Å; F796-L807 HydrophobicContact CE1-CD2 4.31Å; F796-L807 HydrophobicContact CE2-CD2 3.54Å; F796-L807 HydrophobicContact CZ-CD2 3.56Å
797	A	71.7	Confident	78	Confident	27 Å²	27	52.9 Å²	52.9	22%	0.223	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.9	177.9	0	0	0	0	0	111	I762 V763	I762-A797 HydrophobicContact CG2-CB 3.83Å; V763-A797 PolarHBondContact O-N 3.45Å
798	G	64.5	Low	78	Confident	56 Å²	56	55.2 Å²	55.2	58%	0.577	31%	0.306	S	S	*	.	S	Bend	trans	112.2	135.8	-178.3	0	0	0	0	0	112.8	D800 Q804	G798-D800 PolarHBondContact O-N 2.98Å; G798-Q804 PolarHBondContact O-OE1 2.86Å
799	D	60.7	Low	78.2	Confident	138 Å²	138	58.2 Å²	58.2	74%	0.738	32%	0.32	S	S	*	.			trans	-87.5	93	177.8	-177	11.2	0	0	0	111	E801 G802	D799-E801 PolarHBondContact O-N 3.38Å; D799-G802 PolarHBondContact OD1-N 3.12Å
800	D	66	Low	78.4	Confident	28 Å²	28	52 Å²	52	15%	0.15	29%	0.288	C	S	.	.			trans	-86.3	84.6	169.2	-96.5	-42.9	0	0	0	110.1	N765 K775 G798 G802 I803	N765-D800 WeakPolarHBondContact CB-OD2 3.45Å; K775-D800 WeakPolarHBondContact CE-OD1 3.39Å; K775-D800 IonicContact NZ-OD1 3.71Å; K775-D800 PolarHBondContact NZ-OD1 2.85Å; G798-D800 PolarHBondContact O-N 2.98Å; D800-G802 VanDerWaalsContact C-N 3.25Å; D800-G802 PolarHBondContact O-N 2.95Å; D800-I803 HydrophobicContact CB-CB 4.39Å; D800-I803 HydrophobicContact CB-CD1 4.33Å; D800-I803 WeakPolarHBondContact O-CB 3.27Å; D800-I803 WeakPolarHBondContact O-CG1 3.39Å; D800-I803 PolarHBondContact O-N 3.32Å
801	E	67.3	Low	78.7	Confident	137 Å²	137	46.5 Å²	46.5	64%	0.64	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34.9	165.3	-61.8	173.4	-144.7	0	0	115.3	V772 D799 I803	V772-E801 WeakPolarHBondContact CG2-OE2 3.4Å; D799-E801 PolarHBondContact O-N 3.38Å; E801-I803 PolarHBondContact O-N 2.95Å
802	G	73.9	Confident	78.9	Confident	26 Å²	26	47 Å²	47	27%	0.268	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	5.6	-176.3	0	0	0	0	0	115.6	D799 D800 Q804 E805 K806	D799-G802 PolarHBondContact OD1-N 3.12Å; D800-G802 VanDerWaalsContact C-N 3.25Å; D800-G802 PolarHBondContact O-N 2.95Å; G802-Q804 PolarHBondContact O-N 3.5Å; G802-E805 PolarHBondContact O-N 2.67Å; G802-K806 PolarHBondContact O-N 3.4Å; G802-K806 VanDerWaalsContact O-N 3.14Å
803	I	80.7	Confident	79.6	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-57.1	-39.5	171.6	-66.4	175.6	0	0	0	110.1	V772 K775 Q776 A779 D800 E801 K806 L807 L850	V772-I803 HydrophobicContact CG1-CD1 4.24Å; K775-I803 HydrophobicContact CB-CD1 3.71Å; K775-I803 HydrophobicContact CD-CD1 4.32Å; Q776-I803 HydrophobicContact CG-CD1 3.78Å; Q776-I803 HydrophobicContact CG-CG1 3.85Å; Q776-I803 HydrophobicContact CG-CG2 4.08Å; A779-I803 HydrophobicContact CB-CG2 4.29Å; D800-I803 HydrophobicContact CB-CB 4.39Å; D800-I803 HydrophobicContact CB-CD1 4.33Å; D800-I803 WeakPolarHBondContact O-CB 3.27Å; D800-I803 WeakPolarHBondContact O-CG1 3.39Å; D800-I803 PolarHBondContact O-N 3.32Å; E801-I803 PolarHBondContact O-N 2.95Å; I803-K806 PolarHBondContact O-N 3.32Å; I803-L807 VanDerWaalsContact O-CB 3.28Å; I803-L807 WeakPolarHBondContact O-CB 3.39Å; I803-L807 PolarHBondContact O-N 3.22Å; I803-L850 HydrophobicContact CB-CD1 4.48Å; I803-L850 HydrophobicContact CG2-CD1 3.84Å
804	Q	79.9	Confident	79.9	Confident	26 Å²	26	41.5 Å²	41.5	12%	0.121	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-41.8	177.7	-177	170.9	19.4	0	0	112.5	V19 F796 G798 G802 L807 L808	V19-Q804 HydrophobicContact CG2-CG 4.46Å; F796-Q804 HydrophobicContact CB-CG 4.19Å; F796-Q804 PolarHBondContact O-NE2 3.5Å; G798-Q804 PolarHBondContact O-OE1 2.86Å; G802-Q804 PolarHBondContact O-N 3.5Å; Q804-L807 PolarHBondContact O-N 2.85Å; Q804-L808 VanDerWaalsContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CB 3.37Å; Q804-L808 PolarHBondContact O-N 3.21Å
805	E	83.1	Confident	80.1	Confident	123 Å²	123	44.3 Å²	44.3	58%	0.575	25%	0.252	S	S	*	.	H	α-helix	trans	-67.2	-45	179.1	-166.2	-168.6	164.5	0	0	111.1	G802 L807 L808 Q809	G802-E805 PolarHBondContact O-N 2.67Å; E805-L807 VanDerWaalsContact C-N 3.33Å; E805-L807 PolarHBondContact O-N 3Å; E805-L808 WeakPolarHBondContact O-CB 3.46Å; E805-L808 PolarHBondContact O-N 3.17Å; E805-Q809 WeakPolarHBondContact O-CG 3.16Å; E805-Q809 PolarHBondContact O-N 2.92Å; E805-Q809 PolarHBondContact OE1-NE2 3.37Å
806	K	84.5	Confident	80.2	Confident	60 Å²	60	49.4 Å²	49.4	26%	0.261	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-39.9	175.2	-70.2	-173.5	179.9	-169.7	0	112.2	G802 I803 Q809 L810 Q848 L850 D851	G802-K806 PolarHBondContact O-N 3.4Å; G802-K806 VanDerWaalsContact O-N 3.14Å; I803-K806 PolarHBondContact O-N 3.32Å; K806-Q809 PolarHBondContact O-N 3.24Å; K806-L810 WeakPolarHBondContact O-CB 3.38Å; K806-L810 PolarHBondContact O-N 2.96Å; K806-Q848 VanDerWaalsContact NZ-OE1 3.11Å; K806-L850 HydrophobicContact CB-CB 4.13Å; K806-L850 HydrophobicContact CB-CD1 3.72Å; K806-L850 HydrophobicContact CD-CB 4.32Å; K806-D851 WeakPolarHBondContact CD-OD1 3.28Å; K806-D851 VanDerWaalsContact CE-OD1 3.24Å; K806-D851 WeakPolarHBondContact CE-OD1 3.36Å; K806-D851 IonicContact NZ-OD1 2.73Å; K806-D851 PolarHBondContact NZ-OD1 2.92Å; K806-D851 IonicContact NZ-OD2 2.81Å; K806-D851 PolarHBondContact NZ-OD2 3.38Å
807	L	86.6	Confident	80.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-71.4	-35.2	177.8	-176.9	61.8	0	0	0	112.3	V17 A779 V780 W783 F796 I803 Q804 E805 L810 S811 L850	V17-L807 HydrophobicContact CG1-CG 4.49Å; V17-L807 HydrophobicContact CG2-CG 4.22Å; A779-L807 HydrophobicContact CB-CD2 3.82Å; V780-L807 HydrophobicContact CG2-CD1 4.35Å; W783-L807 HydrophobicContact CD2-CD1 4.3Å; W783-L807 HydrophobicContact CE3-CD1 4.13Å; W783-L807 HydrophobicContact CG-CD1 4.48Å; F796-L807 HydrophobicContact CD2-CD2 4.29Å; F796-L807 HydrophobicContact CE1-CD2 4.31Å; F796-L807 HydrophobicContact CE2-CD2 3.54Å; F796-L807 HydrophobicContact CZ-CD2 3.56Å; I803-L807 VanDerWaalsContact O-CB 3.28Å; I803-L807 WeakPolarHBondContact O-CB 3.39Å; I803-L807 PolarHBondContact O-N 3.22Å; Q804-L807 PolarHBondContact O-N 2.85Å; E805-L807 VanDerWaalsContact C-N 3.33Å; E805-L807 PolarHBondContact O-N 3Å; L807-L810 HydrophobicContact CD1-CD2 4.43Å; L807-L810 PolarHBondContact O-N 3.44Å; L807-S811 WeakPolarHBondContact O-CB 3.49Å; L807-S811 PolarHBondContact O-N 3.36Å; L807-S811 PolarHBondContact O-OG 2.89Å; L807-L850 HydrophobicContact CB-CD1 4.34Å; L807-L850 HydrophobicContact CB-CD2 4.45Å; L807-L850 HydrophobicContact CD1-CD2 4.08Å
808	L	87.6	Confident	81.1	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-52	170.7	172	63	0	0	0	110.6	V17 V19 Q804 E805 L810 S811 A812	V17-L808 WeakPolarHBondContact O-CD1 3.5Å; V19-L808 HydrophobicContact CG2-CD2 4.22Å; Q804-L808 VanDerWaalsContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CB 3.37Å; Q804-L808 PolarHBondContact O-N 3.21Å; E805-L808 WeakPolarHBondContact O-CB 3.46Å; E805-L808 PolarHBondContact O-N 3.17Å; L808-L810 PolarHBondContact O-N 3.29Å; L808-S811 PolarHBondContact O-N 3.5Å; L808-S811 PolarHBondContact O-OG 2.91Å; L808-A812 PolarHBondContact O-N 2.89Å
809	Q	85.8	Confident	82.1	Confident	91 Å²	91	54.4 Å²	54.4	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.5	-67.9	175.2	20.9	0	0	111.9	E805 K806 A812 A813 M854	E805-Q809 WeakPolarHBondContact O-CG 3.16Å; E805-Q809 PolarHBondContact O-N 2.92Å; E805-Q809 PolarHBondContact OE1-NE2 3.37Å; K806-Q809 PolarHBondContact O-N 3.24Å; Q809-A812 PolarHBondContact O-N 2.68Å; Q809-A813 WeakPolarHBondContact O-CB 3.16Å; Q809-A813 PolarHBondContact O-N 3.03Å; Q809-M854 HydrophobicContact CB-CE 4.13Å; Q809-M854 HydrophobicContact CB-SD 4.39Å
810	L	88.8	Confident	83.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-43.6	177.4	-177.1	63.7	0	0	0	112.3	W783 K806 L807 L808 A812 A813 A814 L850 L853 M854 L857	W783-L810 HydrophobicContact CH2-CG 4.44Å; W783-L810 HydrophobicContact CZ3-CD2 4.25Å; W783-L810 HydrophobicContact CZ3-CG 4.42Å; K806-L810 WeakPolarHBondContact O-CB 3.38Å; K806-L810 PolarHBondContact O-N 2.96Å; L807-L810 HydrophobicContact CD1-CD2 4.43Å; L807-L810 PolarHBondContact O-N 3.44Å; L808-L810 PolarHBondContact O-N 3.29Å; L810-A812 VanDerWaalsContact C-N 3.35Å; L810-A812 PolarHBondContact O-N 2.75Å; L810-A813 PolarHBondContact O-N 3.38Å; L810-A814 VanDerWaalsContact O-CB 3.23Å; L810-A814 WeakPolarHBondContact O-CB 3.5Å; L810-A814 PolarHBondContact O-N 3.22Å; L810-L850 HydrophobicContact CD2-CD2 3.69Å; L810-L853 HydrophobicContact CD1-CB 4Å; L810-L853 HydrophobicContact CD2-CB 3.82Å; L810-L853 HydrophobicContact CD2-CD1 3.98Å; L810-M854 WeakPolarHBondContact CA-SD 3.43Å; L810-M854 HydrophobicContact CB-CG 4.34Å; L810-M854 HydrophobicContact CB-SD 3.75Å; L810-M854 HydrophobicContact CD1-CG 4.06Å; L810-M854 HydrophobicContact CD1-SD 3.77Å; L810-M854 HydrophobicContact CG-SD 4.39Å; L810-L857 HydrophobicContact CD1-CD1 4.21Å
811	S	88.6	Confident	84.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-39.2	178.3	77.5	0	0	0	0	112	V17 L807 L808 A814 V815	V17-S811 WeakPolarHBondContact CB-OG 3.2Å; V17-S811 PolarHBondContact N-OG 3.4Å; L807-S811 WeakPolarHBondContact O-CB 3.49Å; L807-S811 PolarHBondContact O-N 3.36Å; L807-S811 PolarHBondContact O-OG 2.89Å; L808-S811 PolarHBondContact O-N 3.5Å; L808-S811 PolarHBondContact O-OG 2.91Å; S811-A814 PolarHBondContact O-N 2.73Å; S811-V815 WeakPolarHBondContact O-CB 3.25Å; S811-V815 VanDerWaalsContact O-CG2 3.24Å; S811-V815 WeakPolarHBondContact O-CG2 3.15Å; S811-V815 PolarHBondContact O-N 2.67Å
812	A	86.6	Confident	85.4	Confident	33 Å²	33	40.4 Å²	40.4	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-64.5	-50.3	176.2	0	0	0	0	0	110.8	L808 Q809 L810 A814 V815 D816	L808-A812 PolarHBondContact O-N 2.89Å; Q809-A812 PolarHBondContact O-N 2.68Å; L810-A812 VanDerWaalsContact C-N 3.35Å; L810-A812 PolarHBondContact O-N 2.75Å; A812-A814 VanDerWaalsContact C-N 3.3Å; A812-A814 PolarHBondContact O-N 3.11Å; A812-V815 PolarHBondContact O-N 3.2Å; A812-D816 WeakPolarHBondContact O-CB 3.41Å; A812-D816 VanDerWaalsContact O-CG 3.25Å; A812-D816 PolarHBondContact O-N 3.17Å
813	A	86.8	Confident	86.1	Confident	26 Å²	26	43.8 Å²	43.8	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-38.1	178	0	0	0	0	0	112.9	Q809 L810 K817	Q809-A813 WeakPolarHBondContact O-CB 3.16Å; Q809-A813 PolarHBondContact O-N 3.03Å; L810-A813 PolarHBondContact O-N 3.38Å; A813-K817 WeakPolarHBondContact O-CB 3.42Å; A813-K817 WeakPolarHBondContact O-CD 3.14Å; A813-K817 WeakPolarHBondContact O-CG 3.35Å; A813-K817 PolarHBondContact O-N 2.72Å; A813-K817 VanDerWaalsContact O-N 3.08Å
814	A	88.6	Confident	86.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.8	-35.9	178.4	0	0	0	0	0	112.7	V14 W783 L810 S811 A812 G818 C819	V14-A814 HydrophobicContact CG2-CB 3.77Å; W783-A814 HydrophobicContact CH2-CB 3.87Å; W783-A814 HydrophobicContact CZ2-CB 4.16Å; L810-A814 VanDerWaalsContact O-CB 3.23Å; L810-A814 WeakPolarHBondContact O-CB 3.5Å; L810-A814 PolarHBondContact O-N 3.22Å; S811-A814 PolarHBondContact O-N 2.73Å; A812-A814 VanDerWaalsContact C-N 3.3Å; A812-A814 PolarHBondContact O-N 3.11Å; A814-G818 PolarHBondContact O-N 3.37Å; A814-G818 VanDerWaalsContact O-N 3.15Å; A814-C819 HydrophobicContact CB-CB 4.1Å; A814-C819 WeakPolarHBondContact O-CB 3.3Å; A814-C819 PolarHBondContact O-N 2.74Å
815	V	87.4	Confident	86.9	Confident	60 Å²	60	43.7 Å²	43.7	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-46.6	170.9	168.5	0	0	0	0	110.9	V14 S811 A812 K817 G818	V14-V815 HydrophobicContact CG2-CG2 3.94Å; S811-V815 WeakPolarHBondContact O-CB 3.25Å; S811-V815 VanDerWaalsContact O-CG2 3.24Å; S811-V815 WeakPolarHBondContact O-CG2 3.15Å; S811-V815 PolarHBondContact O-N 2.67Å; A812-V815 PolarHBondContact O-N 3.2Å; V815-K817 PolarHBondContact O-N 2.92Å; V815-G818 PolarHBondContact O-N 2.78Å
816	D	85.4	Confident	87.2	Confident	141 Å²	141	42.3 Å²	42.3	75%	0.754	24%	0.235	S	C	*	.	H	α-helix	trans	-63.4	-30	179.9	-71.4	-18.8	0	0	0	112.5	A812	A812-D816 WeakPolarHBondContact O-CB 3.41Å; A812-D816 VanDerWaalsContact O-CG 3.25Å; A812-D816 PolarHBondContact O-N 3.17Å
817	K	85.9	Confident	87.4	Confident	124 Å²	124	39.5 Å²	39.5	54%	0.539	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.7	173.1	-72.8	174	179.7	-174.4	0	114	A813 V815 C819 L857	A813-K817 WeakPolarHBondContact O-CB 3.42Å; A813-K817 WeakPolarHBondContact O-CD 3.14Å; A813-K817 WeakPolarHBondContact O-CG 3.35Å; A813-K817 PolarHBondContact O-N 2.72Å; A813-K817 VanDerWaalsContact O-N 3.08Å; V815-K817 PolarHBondContact O-N 2.92Å; K817-C819 VanDerWaalsContact C-N 3.33Å; K817-L857 WeakPolarHBondContact CD-O 3.46Å; K817-L857 PolarHBondContact NZ-O 3.37Å; K817-L857 PolarHBondContact NZ-OXT 3.47Å
818	G	84.1	Confident	87.5	Confident	62 Å²	62	40.1 Å²	40.1	64%	0.639	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	27.5	-175	0	0	0	0	0	114.2	A814 V815	A814-G818 PolarHBondContact O-N 3.37Å; A814-G818 VanDerWaalsContact O-N 3.15Å; V815-G818 PolarHBondContact O-N 2.78Å
819	C	86.4	Confident	87.6	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.081	23%	0.234	C	C	.	.			trans	-62.1	141.1	-177	-65.1	0	0	0	0	112.4	V14 A814 K817	V14-C819 PolarHBondContact N-O 3.4Å; A814-C819 HydrophobicContact CB-CB 4.1Å; A814-C819 WeakPolarHBondContact O-CB 3.3Å; A814-C819 PolarHBondContact O-N 2.74Å; K817-C819 VanDerWaalsContact C-N 3.33Å
820	S	88.7	Confident	87.6	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.063	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-86.8	156.2	174.6	64.7	0	0	0	0	113.1	S10 N12 G822 E823 V824	S10-S820 WeakPolarHBondContact O-CB 3.42Å; N12-S820 CarbonylContact O-C 3.55Å; N12-S820 VanDerWaalsContact O-CA 3.31Å; N12-S820 WeakPolarHBondContact O-CA 3.47Å; S820-G822 PolarHBondContact O-N 2.89Å; S820-E823 WeakPolarHBondContact CB-OE2 3.34Å; S820-E823 PolarHBondContact N-OE2 3.28Å; S820-E823 PolarHBondContact O-N 2.98Å; S820-E823 VanDerWaalsContact O-N 3.13Å; S820-E823 VanDerWaalsContact OG-CD 3.3Å; S820-E823 VanDerWaalsContact OG-CG 3.27Å; S820-E823 WeakPolarHBondContact OG-CG 3.14Å; S820-E823 PolarHBondContact OG-N 3.45Å; S820-E823 PolarHBondContact OG-OE2 3.09Å; S820-V824 PolarHBondContact O-N 2.87Å; S820-V824 VanDerWaalsContact O-N 3.14Å
821	V	87.8	Confident	87.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-52.8	-40	170.4	167.8	0	0	0	0	111.5	N12 V784 S787 E788 V824 L825	N12-V821 HydrophobicContact CB-CG2 4.16Å; N12-V821 WeakPolarHBondContact O-CG2 3.4Å; N12-V821 PolarHBondContact O-N 2.81Å; V784-V821 HydrophobicContact CG1-CG1 4.09Å; S787-V821 VanDerWaalsContact CB-CG2 3.49Å; E788-V821 HydrophobicContact CB-CG1 4.47Å; V821-V824 PolarHBondContact O-N 3.19Å; V821-L825 WeakPolarHBondContact O-CB 3.5Å; V821-L825 PolarHBondContact O-N 3.49Å
822	G	86.6	Confident	87.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-44.7	175.6	0	0	0	0	0	113.5	W7 S10 S820 L825 Q826	W7-G822 WeakPolarHBondContact O-CA 3.42Å; S10-G822 PolarHBondContact O-N 3.39Å; S10-G822 VanDerWaalsContact O-N 3.07Å; S820-G822 PolarHBondContact O-N 2.89Å; G822-L825 PolarHBondContact O-N 3.15Å; G822-Q826 WeakPolarHBondContact O-CB 3.18Å; G822-Q826 VanDerWaalsContact O-CG 3.24Å; G822-Q826 WeakPolarHBondContact O-CG 3.35Å; G822-Q826 PolarHBondContact O-N 2.94Å
823	E	87.5	Confident	87.3	Confident	96 Å²	96	52.1 Å²	52.1	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-38.4	178.7	-73.4	162.4	125	0	0	112.5	S820 S827	S820-E823 WeakPolarHBondContact CB-OE2 3.34Å; S820-E823 PolarHBondContact N-OE2 3.28Å; S820-E823 PolarHBondContact O-N 2.98Å; S820-E823 VanDerWaalsContact O-N 3.13Å; S820-E823 VanDerWaalsContact OG-CD 3.3Å; S820-E823 VanDerWaalsContact OG-CG 3.27Å; S820-E823 WeakPolarHBondContact OG-CG 3.14Å; S820-E823 PolarHBondContact OG-N 3.45Å; S820-E823 PolarHBondContact OG-OE2 3.09Å; E823-S827 VanDerWaalsContact O-CB 3.25Å; E823-S827 WeakPolarHBondContact O-CB 3.46Å; E823-S827 PolarHBondContact O-N 3.47Å; E823-S827 PolarHBondContact O-OG 3.26Å
824	V	89.1	Confident	87.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-49.5	172.9	178	0	0	0	0	110.5	V14 V780 W783 V784 S820 V821 Q826 S827 V828 L857	V14-V824 HydrophobicContact CG1-CG2 3.73Å; V780-V824 HydrophobicContact CG1-CG1 4.35Å; W783-V824 HydrophobicContact CE3-CG1 4.35Å; W783-V824 HydrophobicContact CH2-CG1 4.49Å; W783-V824 HydrophobicContact CH2-CG2 4.03Å; W783-V824 HydrophobicContact CZ3-CG1 3.73Å; W783-V824 HydrophobicContact CZ3-CG2 4.1Å; V784-V824 HydrophobicContact CG2-CB 4.29Å; V784-V824 HydrophobicContact CG2-CG1 3.66Å; S820-V824 PolarHBondContact O-N 2.87Å; S820-V824 VanDerWaalsContact O-N 3.14Å; V821-V824 PolarHBondContact O-N 3.19Å; V824-Q826 PolarHBondContact O-N 2.9Å; V824-S827 WeakPolarHBondContact O-CA 3.45Å; V824-S827 WeakPolarHBondContact O-CB 3.44Å; V824-S827 PolarHBondContact O-N 2.88Å; V824-V828 WeakPolarHBondContact O-CG2 3.27Å; V824-V828 PolarHBondContact O-N 3.48Å; V824-L857 HydrophobicContact CB-CD1 4.45Å; V824-L857 HydrophobicContact CG1-CD1 4.39Å; V824-L857 HydrophobicContact CG2-CD1 3.91Å; V824-L857 HydrophobicContact CG2-CD2 4.31Å
825	L	89.6	Confident	86.7	Confident	30 Å²	30	58.7 Å²	58.7	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-39	-176.8	-169.5	63	0	0	0	112.3	W7 L8 L781 V821 G822 S827 V828 L829	W7-L825 HydrophobicContact CB-CD2 3.62Å; L8-L825 HydrophobicContact CD2-CB 4.1Å; L8-L825 HydrophobicContact CD2-CD2 3.72Å; L8-L825 HydrophobicContact CD2-CG 3.66Å; L8-L825 HydrophobicContact CG-CD2 4.18Å; L781-L825 HydrophobicContact CD2-CD1 4.37Å; V821-L825 WeakPolarHBondContact O-CB 3.5Å; V821-L825 PolarHBondContact O-N 3.49Å; G822-L825 PolarHBondContact O-N 3.15Å; L825-S827 VanDerWaalsContact C-N 3.26Å; L825-S827 PolarHBondContact O-N 2.9Å; L825-V828 PolarHBondContact O-N 3.39Å; L825-L829 WeakPolarHBondContact O-CG 3.2Å; L825-L829 PolarHBondContact O-N 3.41Å
826	Q	88.8	Confident	86.3	Confident	94 Å²	94	61 Å²	61	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-34.9	170.1	-73.3	-179.6	42	0	0	112	L8 G822 V824 L829 R830	L8-Q826 HydrophobicContact CD2-CG 4.09Å; L8-Q826 PolarHBondContact O-NE2 3.45Å; G822-Q826 WeakPolarHBondContact O-CB 3.18Å; G822-Q826 VanDerWaalsContact O-CG 3.24Å; G822-Q826 WeakPolarHBondContact O-CG 3.35Å; G822-Q826 PolarHBondContact O-N 2.94Å; V824-Q826 PolarHBondContact O-N 2.9Å; Q826-L829 PolarHBondContact O-N 3.06Å; Q826-R830 WeakPolarHBondContact O-CG 3.35Å; Q826-R830 PolarHBondContact O-N 3.47Å
827	S	88.1	Confident	85.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-42.5	176.9	-60.8	0	0	0	0	112.1	E823 V824 L825 L829 R830 Y831 W852 L857	E823-S827 VanDerWaalsContact O-CB 3.25Å; E823-S827 WeakPolarHBondContact O-CB 3.46Å; E823-S827 PolarHBondContact O-N 3.47Å; E823-S827 PolarHBondContact O-OG 3.26Å; V824-S827 WeakPolarHBondContact O-CA 3.45Å; V824-S827 WeakPolarHBondContact O-CB 3.44Å; V824-S827 PolarHBondContact O-N 2.88Å; L825-S827 VanDerWaalsContact C-N 3.26Å; L825-S827 PolarHBondContact O-N 2.9Å; S827-L829 VanDerWaalsContact C-N 3.3Å; S827-L829 PolarHBondContact O-N 3.16Å; S827-R830 WeakPolarHBondContact O-CB 3.37Å; S827-R830 PolarHBondContact O-N 2.87Å; S827-R830 VanDerWaalsContact O-N 3.08Å; S827-R830 PolarHBondContact OG-NH2 3.39Å; S827-Y831 PolarHBondContact O-N 2.7Å; S827-W852 WeakPolarHBondContact O-CH2 3.43Å; S827-W852 WeakPolarHBondContact O-CZ3 3.46Å; S827-L857 WeakPolarHBondContact OG-CD2 3.41Å
828	V	89.8	Confident	85.4	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-40.9	170.6	177.1	0	0	0	0	111.4	L777 V780 V824 L825 R830 Y831 E832 L849 L853	L777-V828 HydrophobicContact CD1-CG1 3.74Å; V780-V828 HydrophobicContact CG1-CG2 3.87Å; V824-V828 WeakPolarHBondContact O-CG2 3.27Å; V824-V828 PolarHBondContact O-N 3.48Å; L825-V828 PolarHBondContact O-N 3.39Å; V828-R830 VanDerWaalsContact C-N 3.34Å; V828-R830 PolarHBondContact O-N 3.04Å; V828-Y831 PolarHBondContact O-N 3.23Å; V828-E832 PolarHBondContact O-N 3.3Å; V828-E832 VanDerWaalsContact O-N 3.1Å; V828-L849 HydrophobicContact CG2-CD1 4.47Å; V828-L853 HydrophobicContact CG2-CD1 4.2Å; V828-L853 HydrophobicContact CG2-CD2 4.23Å
829	L	88.6	Confident	85.2	Confident	79 Å²	79	60 Å²	60	41%	0.414	28%	0.28	S	S	.	.	H	α-helix	trans	-69.6	-25.7	175.1	-70.4	-176.8	0	0	0	114.2	L8 L825 Q826 S827 K833	L8-L829 HydrophobicContact CD1-CD1 4.15Å; L8-L829 HydrophobicContact CD2-CD1 3.56Å; L825-L829 WeakPolarHBondContact O-CG 3.2Å; L825-L829 PolarHBondContact O-N 3.41Å; Q826-L829 PolarHBondContact O-N 3.06Å; S827-L829 VanDerWaalsContact C-N 3.3Å; S827-L829 PolarHBondContact O-N 3.16Å; L829-K833 WeakPolarHBondContact O-CD 3.48Å; L829-K833 VanDerWaalsContact O-CG 3.29Å; L829-K833 WeakPolarHBondContact O-CG 3.27Å; L829-K833 PolarHBondContact O-N 3.16Å
830	R	86.4	Confident	84.5	Confident	133 Å²	133	63.6 Å²	63.6	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-71.9	-46.4	171.7	-76.7	-176.4	-68.4	-176.4	5.5	110.7	Q826 S827 V828 E832 K833 E834 W852	Q826-R830 WeakPolarHBondContact O-CG 3.35Å; Q826-R830 PolarHBondContact O-N 3.47Å; S827-R830 WeakPolarHBondContact O-CB 3.37Å; S827-R830 PolarHBondContact O-N 2.87Å; S827-R830 VanDerWaalsContact O-N 3.08Å; S827-R830 PolarHBondContact OG-NH2 3.39Å; V828-R830 VanDerWaalsContact C-N 3.34Å; V828-R830 PolarHBondContact O-N 3.04Å; R830-E832 PolarHBondContact O-N 3.47Å; R830-K833 PolarHBondContact O-N 3.25Å; R830-E834 PolarHBondContact O-N 3.47Å; R830-W852 HydrophobicContact CB-CH2 3.66Å; R830-W852 HydrophobicContact CB-CZ2 4.17Å
831	Y	87.5	Confident	83.7	Confident	11 Å²	11	67.6 Å²	67.6	4%	0.043	33%	0.334	C	S	.	.	H	α-helix	trans	-54.7	-49.1	174.6	169.3	-97.3	0	0	0	112.6	Q773 S827 V828 K833 E834 R835 L847 L849 W852	Q773-Y831 PolarHBondContact NE2-OH 2.98Å; S827-Y831 PolarHBondContact O-N 2.7Å; V828-Y831 PolarHBondContact O-N 3.23Å; Y831-K833 VanDerWaalsContact C-N 3.33Å; Y831-K833 PolarHBondContact O-N 3.32Å; Y831-E834 PolarHBondContact O-N 3.14Å; Y831-R835 WeakPolarHBondContact O-CB 3.49Å; Y831-R835 PolarHBondContact O-N 2.8Å; Y831-L847 WeakPolarHBondContact CE2-O 3.35Å; Y831-L847 PolarHBondContact OH-O 3.38Å; Y831-L849 HydrophobicContact CD1-CD1 3.48Å; Y831-L849 VanDerWaalsContact CD1-CD1 3.48Å; Y831-L849 HydrophobicContact CD2-CD1 4.41Å; Y831-L849 HydrophobicContact CE1-CB 4.2Å; Y831-L849 HydrophobicContact CE1-CD1 3.9Å; Y831-L849 HydrophobicContact CG-CD1 3.75Å; Y831-W852 HydrophobicContact CD2-CB 3.78Å; Y831-W852 AromaticContact CD2-CD1 3.84Å; Y831-W852 AromaticContact CD2-CD2 3.88Å; Y831-W852 HydrophobicContact CD2-CD2 3.88Å; Y831-W852 HydrophobicContact CD2-CE3 4.44Å; Y831-W852 AromaticContact CD2-CG 3.56Å; Y831-W852 HydrophobicContact CD2-CG 3.56Å; Y831-W852 HydrophobicContact CE2-CB 4.18Å; Y831-W852 HydrophobicContact CE2-CG 4.33Å; Y831-W852 HydrophobicContact CG-CD2 4.34Å; Y831-W852 HydrophobicContact CG-CG 4.45Å
832	E	85.4	Confident	82.3	Confident	56 Å²	56	70.4 Å²	70.4	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-33.5	-177.7	-178.2	56.6	-151.3	0	0	112.4	V828 R830 R835 Q836	V828-E832 PolarHBondContact O-N 3.3Å; V828-E832 VanDerWaalsContact O-N 3.1Å; R830-E832 PolarHBondContact O-N 3.47Å; E832-R835 PolarHBondContact O-N 2.77Å; E832-R835 IonicContact OE1-NH1 3.55Å; E832-R835 WeakPolarHBondContact OE2-CD 3.4Å; E832-R835 IonicContact OE2-CZ 2.88Å; E832-R835 IonicContact OE2-NE 3.81Å; E832-R835 IonicContact OE2-NH1 2.78Å; E832-R835 PolarHBondContact OE2-NH1 3.4Å; E832-Q836 VanDerWaalsContact O-CG 3.29Å; E832-Q836 WeakPolarHBondContact O-CG 3.45Å; E832-Q836 PolarHBondContact O-N 3.38Å; E832-Q836 PolarHBondContact OE1-NE2 2.87Å
833	K	84.9	Confident	81.2	Confident	146 Å²	146	74.9 Å²	74.9	64%	0.635	39%	0.387	S	S	*	.	H	α-helix	trans	-65.8	-42.4	171.3	-72.6	170.8	-176.3	176.2	0	112.2	L829 R830 Y831 Q836 L837	L829-K833 WeakPolarHBondContact O-CD 3.48Å; L829-K833 VanDerWaalsContact O-CG 3.29Å; L829-K833 WeakPolarHBondContact O-CG 3.27Å; L829-K833 PolarHBondContact O-N 3.16Å; R830-K833 PolarHBondContact O-N 3.25Å; Y831-K833 VanDerWaalsContact C-N 3.33Å; Y831-K833 PolarHBondContact O-N 3.32Å; K833-Q836 PolarHBondContact O-N 2.93Å; K833-L837 WeakPolarHBondContact O-CB 3.4Å; K833-L837 PolarHBondContact O-N 2.92Å
834	E	81.6	Confident	80	Confident	91 Å²	91	76.3 Å²	76.3	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-67.7	-36.9	177.2	-178.2	170.6	-160.7	0	0	111.9	R830 Y831 L837 N838 W852	R830-E834 PolarHBondContact O-N 3.47Å; Y831-E834 PolarHBondContact O-N 3.14Å; E834-L837 PolarHBondContact O-N 3.28Å; E834-N838 WeakPolarHBondContact CG-ND2 3.33Å; E834-N838 WeakPolarHBondContact O-CB 3.49Å; E834-N838 PolarHBondContact O-N 2.94Å; E834-N838 PolarHBondContact O-ND2 3.43Å; E834-W852 PolarHBondContact OE2-NE1 2.79Å
835	R	81.1	Confident	78.4	Confident	72 Å²	72	82 Å²	82	27%	0.272	44%	0.437	S	S	.	.	H	α-helix	trans	-59.3	-52	172.3	-176.7	-162.2	-167.9	-167.7	4.3	111.4	Y831 E832 L837 N838 E839 P846	Y831-R835 WeakPolarHBondContact O-CB 3.49Å; Y831-R835 PolarHBondContact O-N 2.8Å; E832-R835 PolarHBondContact O-N 2.77Å; E832-R835 IonicContact OE1-NH1 3.55Å; E832-R835 WeakPolarHBondContact OE2-CD 3.4Å; E832-R835 IonicContact OE2-CZ 2.88Å; E832-R835 IonicContact OE2-NE 3.81Å; E832-R835 IonicContact OE2-NH1 2.78Å; E832-R835 PolarHBondContact OE2-NH1 3.4Å; R835-L837 VanDerWaalsContact C-N 3.31Å; R835-L837 PolarHBondContact O-N 3.03Å; R835-N838 PolarHBondContact O-N 3.26Å; R835-E839 PolarHBondContact O-N 3.04Å; R835-P846 HydrophobicContact CG-CG 4.2Å
836	Q	78.9	Confident	77.2	Confident	108 Å²	108	82.8 Å²	82.8	51%	0.505	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-37.8	179	-70.9	172.2	15.9	0	0	112	E832 K833 A840	E832-Q836 VanDerWaalsContact O-CG 3.29Å; E832-Q836 WeakPolarHBondContact O-CG 3.45Å; E832-Q836 PolarHBondContact O-N 3.38Å; E832-Q836 PolarHBondContact OE1-NE2 2.87Å; K833-Q836 PolarHBondContact O-N 2.93Å; Q836-A840 WeakPolarHBondContact O-CB 3.13Å; Q836-A840 PolarHBondContact O-N 2.71Å
837	L	77.9	Confident	76.4	Confident	116 Å²	116	83 Å²	83	61%	0.607	45%	0.447	S	S	*	.	H	α-helix	trans	-64.8	-44.2	173.8	-174.5	65.6	0	0	0	111.9	K833 E834 R835 A840 V841	K833-L837 WeakPolarHBondContact O-CB 3.4Å; K833-L837 PolarHBondContact O-N 2.92Å; E834-L837 PolarHBondContact O-N 3.28Å; R835-L837 VanDerWaalsContact C-N 3.31Å; R835-L837 PolarHBondContact O-N 3.03Å; L837-A840 PolarHBondContact O-N 2.74Å; L837-V841 WeakPolarHBondContact O-CB 3.37Å; L837-V841 VanDerWaalsContact O-CG2 3.29Å; L837-V841 WeakPolarHBondContact O-CG2 3.09Å; L837-V841 PolarHBondContact O-N 3.48Å
838	N	75.6	Confident	76.2	Confident	37 Å²	37	86.6 Å²	86.6	20%	0.198	46%	0.464	C	S	.	.	H	α-helix	trans	-66.1	-37.3	177.9	-82.3	-63.9	0	0	0	112.7	E834 R835 V841 G842 N843	E834-N838 WeakPolarHBondContact CG-ND2 3.33Å; E834-N838 WeakPolarHBondContact O-CB 3.49Å; E834-N838 PolarHBondContact O-N 2.94Å; E834-N838 PolarHBondContact O-ND2 3.43Å; R835-N838 PolarHBondContact O-N 3.26Å; N838-V841 PolarHBondContact O-N 2.98Å; N838-G842 PolarHBondContact O-N 3.31Å; N838-N843 HydrophobicContact CB-CB 4.41Å; N838-N843 PolarHBondContact O-N 3.07Å; N838-N843 PolarHBondContact OD1-ND2 3.38Å
839	E	78	Confident	76	Confident	154 Å²	154	86 Å²	86	72%	0.72	46%	0.46	S	S	*	.	H	α-helix	trans	-65.3	-42	173.6	-174.2	167.2	-168.1	0	0	111.6	R835 V841 G842	R835-E839 PolarHBondContact O-N 3.04Å; E839-V841 VanDerWaalsContact C-N 3.32Å; E839-V841 PolarHBondContact O-N 3.5Å; E839-G842 PolarHBondContact O-N 2.98Å
840	A	72.2	Confident	75.9	Confident	88 Å²	88	82.2 Å²	82.2	73%	0.727	44%	0.441	S	S	*	.	H	α-helix	trans	-66.1	-30.6	175.2	0	0	0	0	0	113.7	Q836 L837	Q836-A840 WeakPolarHBondContact O-CB 3.13Å; Q836-A840 PolarHBondContact O-N 2.71Å; L837-A840 PolarHBondContact O-N 2.74Å
841	V	73.2	Confident	76	Confident	93 Å²	93	78.4 Å²	78.4	56%	0.564	43%	0.43	S	S	*	.	H	α-helix	trans	-82.9	-16.2	175	173.3	0	0	0	0	112.2	L837 N838 E839	L837-V841 WeakPolarHBondContact O-CB 3.37Å; L837-V841 VanDerWaalsContact O-CG2 3.29Å; L837-V841 WeakPolarHBondContact O-CG2 3.09Å; L837-V841 PolarHBondContact O-N 3.48Å; N838-V841 PolarHBondContact O-N 2.98Å; E839-V841 VanDerWaalsContact C-N 3.32Å; E839-V841 PolarHBondContact O-N 3.5Å
842	G	58.4	Low	76	Confident	59 Å²	59	78.7 Å²	78.7	61%	0.608	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	19.1	-178.4	0	0	0	0	0	114.4	N838 E839	N838-G842 PolarHBondContact O-N 3.31Å; E839-G842 PolarHBondContact O-N 2.98Å
843	N	62.6	Low	76.1	Confident	94 Å²	94	76 Å²	76	50%	0.503	42%	0.419	S	S	.	.			trans	-74.6	145.2	176.4	-78.1	-21.8	0	0	0	111.1	N838	N838-N843 HydrophobicContact CB-CB 4.41Å; N838-N843 PolarHBondContact O-N 3.07Å; N838-N843 PolarHBondContact OD1-ND2 3.38Å
844	V	61.8	Low	76.1	Confident	127 Å²	127	72.4 Å²	72.4	77%	0.77	41%	0.405	S	S	*	.	S	Bend	trans	-87.1	127.6	-173.8	-178.8	0	0	0	0	111.1
845	T	55	Low	76.3	Confident	120 Å²	120	71.6 Å²	71.6	74%	0.736	41%	0.414	S	S	*	.			trans	50	94.9	170.6	52.4	0	0	0	0	116
846	P	65	Low	76.3	Confident	46 Å²	46	71.8 Å²	71.8	30%	0.299	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-58.1	158.8	155.7	27.5	-34.4	0	0	0	110.7	R835	R835-P846 HydrophobicContact CG-CG 4.2Å
847	L	73.4	Confident	76.4	Confident	98 Å²	98	68.1 Å²	68.1	51%	0.513	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-51.8	156.3	171.5	-75.9	162	0	0	0	111.5	Y831 D851 W852	Y831-L847 WeakPolarHBondContact CE2-O 3.35Å; Y831-L847 PolarHBondContact OH-O 3.38Å; L847-D851 HydrophobicContact CD2-CB 4.3Å; L847-W852 HydrophobicContact CB-CB 4.03Å
848	Q	83.7	Confident	76.4	Confident	75 Å²	75	65.7 Å²	65.7	35%	0.35	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.1	152.3	167.7	-65.3	-170.8	-11.2	0	0	110	K806 L850 D851 W852	K806-Q848 VanDerWaalsContact NZ-OE1 3.11Å; Q848-L850 VanDerWaalsContact C-N 3.31Å; Q848-L850 PolarHBondContact O-N 3.06Å; Q848-D851 HydrophobicContact CB-CB 4.36Å; Q848-D851 WeakPolarHBondContact CB-OD2 3.28Å; Q848-D851 PolarHBondContact O-N 2.95Å; Q848-D851 VanDerWaalsContact O-N 3.08Å; Q848-W852 PolarHBondContact O-N 3.5Å
849	L	84.8	Confident	76.4	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-57.2	-45	-174.1	173.9	65	0	0	0	111.7	Q776 L777 V780 V828 Y831 W852 L853	Q776-L849 HydrophobicContact CB-CB 4.31Å; Q776-L849 VanDerWaalsContact OE1-N 3.09Å; L777-L849 HydrophobicContact CB-CD2 3.87Å; L777-L849 HydrophobicContact CD1-CD2 3.86Å; L777-L849 HydrophobicContact CG-CD2 4.49Å; V780-L849 HydrophobicContact CG2-CD2 4.27Å; V828-L849 HydrophobicContact CG2-CD1 4.47Å; Y831-L849 HydrophobicContact CD1-CD1 3.48Å; Y831-L849 VanDerWaalsContact CD1-CD1 3.48Å; Y831-L849 HydrophobicContact CD2-CD1 4.41Å; Y831-L849 HydrophobicContact CE1-CB 4.2Å; Y831-L849 HydrophobicContact CE1-CD1 3.9Å; Y831-L849 HydrophobicContact CG-CD1 3.75Å; L849-W852 PolarHBondContact O-N 3.03Å; L849-L853 HydrophobicContact CD1-CD1 3.9Å; L849-L853 HydrophobicContact CD1-CG 4.11Å; L849-L853 HydrophobicContact CG-CD1 3.91Å; L849-L853 HydrophobicContact CG-CG 4.48Å; L849-L853 WeakPolarHBondContact O-CB 3.33Å; L849-L853 VanDerWaalsContact O-CG 3.25Å; L849-L853 WeakPolarHBondContact O-CG 3.36Å; L849-L853 PolarHBondContact O-N 3.5Å
850	L	86.5	Confident	76.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-38.6	178.2	-68.7	177.5	0	0	0	112.5	Q776 V780 I803 K806 L807 L810 Q848 L853 M854	Q776-L850 HydrophobicContact CB-CG 4.31Å; Q776-L850 HydrophobicContact CG-CD1 3.96Å; Q776-L850 HydrophobicContact CG-CG 4.11Å; V780-L850 HydrophobicContact CG2-CD2 3.55Å; I803-L850 HydrophobicContact CB-CD1 4.48Å; I803-L850 HydrophobicContact CG2-CD1 3.84Å; K806-L850 HydrophobicContact CB-CB 4.13Å; K806-L850 HydrophobicContact CB-CD1 3.72Å; K806-L850 HydrophobicContact CD-CB 4.32Å; L807-L850 HydrophobicContact CB-CD1 4.34Å; L807-L850 HydrophobicContact CB-CD2 4.45Å; L807-L850 HydrophobicContact CD1-CD2 4.08Å; L810-L850 HydrophobicContact CD2-CD2 3.69Å; Q848-L850 VanDerWaalsContact C-N 3.31Å; Q848-L850 PolarHBondContact O-N 3.06Å; L850-L853 PolarHBondContact O-N 3.37Å; L850-M854 WeakPolarHBondContact O-CB 3.44Å; L850-M854 VanDerWaalsContact O-CG 3.25Å; L850-M854 WeakPolarHBondContact O-CG 3.22Å; L850-M854 PolarHBondContact O-N 2.63Å
851	D	87.9	Confident	76.5	Confident	53 Å²	53	60.9 Å²	60.9	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-69.4	-35.7	178.7	-61.9	-29.6	0	0	0	111.7	K806 L847 Q848 A855	K806-D851 WeakPolarHBondContact CD-OD1 3.28Å; K806-D851 VanDerWaalsContact CE-OD1 3.24Å; K806-D851 WeakPolarHBondContact CE-OD1 3.36Å; K806-D851 IonicContact NZ-OD1 2.73Å; K806-D851 PolarHBondContact NZ-OD1 2.92Å; K806-D851 IonicContact NZ-OD2 2.81Å; K806-D851 PolarHBondContact NZ-OD2 3.38Å; L847-D851 HydrophobicContact CD2-CB 4.3Å; Q848-D851 HydrophobicContact CB-CB 4.36Å; Q848-D851 WeakPolarHBondContact CB-OD2 3.28Å; Q848-D851 PolarHBondContact O-N 2.95Å; Q848-D851 VanDerWaalsContact O-N 3.08Å; D851-A855 PolarHBondContact O-N 3.29Å
852	W	87.4	Confident	76.8	Confident	16 Å²	16	58.9 Å²	58.9	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-42.9	173.5	-171.8	102.3	0	0	0	111.3	S827 R830 Y831 E834 L847 Q848 L849 A855 N856	S827-W852 WeakPolarHBondContact O-CH2 3.43Å; S827-W852 WeakPolarHBondContact O-CZ3 3.46Å; R830-W852 HydrophobicContact CB-CH2 3.66Å; R830-W852 HydrophobicContact CB-CZ2 4.17Å; Y831-W852 HydrophobicContact CD2-CB 3.78Å; Y831-W852 AromaticContact CD2-CD1 3.84Å; Y831-W852 AromaticContact CD2-CD2 3.88Å; Y831-W852 HydrophobicContact CD2-CD2 3.88Å; Y831-W852 HydrophobicContact CD2-CE3 4.44Å; Y831-W852 AromaticContact CD2-CG 3.56Å; Y831-W852 HydrophobicContact CD2-CG 3.56Å; Y831-W852 HydrophobicContact CE2-CB 4.18Å; Y831-W852 HydrophobicContact CE2-CG 4.33Å; Y831-W852 HydrophobicContact CG-CD2 4.34Å; Y831-W852 HydrophobicContact CG-CG 4.45Å; E834-W852 PolarHBondContact OE2-NE1 2.79Å; L847-W852 HydrophobicContact CB-CB 4.03Å; Q848-W852 PolarHBondContact O-N 3.5Å; L849-W852 PolarHBondContact O-N 3.03Å; W852-A855 PolarHBondContact O-N 3.19Å; W852-A855 VanDerWaalsContact O-N 3.15Å; W852-N856 HydrophobicContact CD2-CB 4.37Å; W852-N856 HydrophobicContact CE3-CB 3.95Å; W852-N856 HydrophobicContact CH2-CB 3.77Å; W852-N856 HydrophobicContact CZ2-CB 4.24Å; W852-N856 HydrophobicContact CZ3-CB 3.63Å; W852-N856 WeakPolarHBondContact O-CB 3.45Å; W852-N856 PolarHBondContact O-N 2.74Å; W852-N856 VanDerWaalsContact O-N 3.16Å; W852-N856 PolarHBondContact O-ND2 3.3Å
853	L	87.7	Confident	78	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-43	176.8	-73.4	171.1	0	0	0	111.5	V780 L810 V828 L849 L850 A855 N856 L857	V780-L853 HydrophobicContact CG1-CD1 4.17Å; V780-L853 HydrophobicContact CG2-CD1 3.98Å; L810-L853 HydrophobicContact CD1-CB 4Å; L810-L853 HydrophobicContact CD2-CB 3.82Å; L810-L853 HydrophobicContact CD2-CD1 3.98Å; V828-L853 HydrophobicContact CG2-CD1 4.2Å; V828-L853 HydrophobicContact CG2-CD2 4.23Å; L849-L853 HydrophobicContact CD1-CD1 3.9Å; L849-L853 HydrophobicContact CD1-CG 4.11Å; L849-L853 HydrophobicContact CG-CD1 3.91Å; L849-L853 HydrophobicContact CG-CG 4.48Å; L849-L853 WeakPolarHBondContact O-CB 3.33Å; L849-L853 VanDerWaalsContact O-CG 3.25Å; L849-L853 WeakPolarHBondContact O-CG 3.36Å; L849-L853 PolarHBondContact O-N 3.5Å; L850-L853 PolarHBondContact O-N 3.37Å; L853-A855 PolarHBondContact O-N 3.23Å; L853-A855 VanDerWaalsContact O-N 3.08Å; L853-N856 PolarHBondContact O-N 3.16Å; L853-L857 HydrophobicContact CB-CD1 4.29Å; L853-L857 HydrophobicContact CD2-CD1 3.94Å; L853-L857 HydrophobicContact CD2-CG 4.43Å; L853-L857 PolarHBondContact O-N 3.13Å
854	M	86.3	Confident	79.1	Confident	71 Å²	71	56.4 Å²	56.4	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-21	173.5	-78.4	-67.8	-70.2	0	0	114.1	Q809 L810 L850	Q809-M854 HydrophobicContact CB-CE 4.13Å; Q809-M854 HydrophobicContact CB-SD 4.39Å; L810-M854 WeakPolarHBondContact CA-SD 3.43Å; L810-M854 HydrophobicContact CB-CG 4.34Å; L810-M854 HydrophobicContact CB-SD 3.75Å; L810-M854 HydrophobicContact CD1-CG 4.06Å; L810-M854 HydrophobicContact CD1-SD 3.77Å; L810-M854 HydrophobicContact CG-SD 4.39Å; L850-M854 WeakPolarHBondContact O-CB 3.44Å; L850-M854 VanDerWaalsContact O-CG 3.25Å; L850-M854 WeakPolarHBondContact O-CG 3.22Å; L850-M854 PolarHBondContact O-N 2.63Å
855	A	84.7	Confident	80.4	Confident	74 Å²	74	50.9 Å²	50.9	61%	0.612	29%	0.291	S	S	*	.	H	α-helix	trans	-99.4	-13.7	178	0	0	0	0	0	114.2	D851 W852 L853	D851-A855 PolarHBondContact O-N 3.29Å; W852-A855 PolarHBondContact O-N 3.19Å; W852-A855 VanDerWaalsContact O-N 3.15Å; L853-A855 PolarHBondContact O-N 3.23Å; L853-A855 VanDerWaalsContact O-N 3.08Å
856	N	82.2	Confident	82.5	Confident	76 Å²	76	45.2 Å²	45.2	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-125.5	-6.8	-170.5	-72.2	-87.2	0	0	0	114.9	W852 L853	W852-N856 HydrophobicContact CD2-CB 4.37Å; W852-N856 HydrophobicContact CE3-CB 3.95Å; W852-N856 HydrophobicContact CH2-CB 3.77Å; W852-N856 HydrophobicContact CZ2-CB 4.24Å; W852-N856 HydrophobicContact CZ3-CB 3.63Å; W852-N856 WeakPolarHBondContact O-CB 3.45Å; W852-N856 PolarHBondContact O-N 2.74Å; W852-N856 VanDerWaalsContact O-N 3.16Å; W852-N856 PolarHBondContact O-ND2 3.3Å; L853-N856 PolarHBondContact O-N 3.16Å
857	L	80.9	Confident	84.1	Confident	30 Å²	30	45.1 Å²	45.1	16%	0.157	25%	0.25	C	C	.	.			trans	-105.2	0	162.5	-69.3	169.3	0	0	0	108.1	L810 K817 V824 S827 L853	L810-L857 HydrophobicContact CD1-CD1 4.21Å; K817-L857 WeakPolarHBondContact CD-O 3.46Å; K817-L857 PolarHBondContact NZ-O 3.37Å; K817-L857 PolarHBondContact NZ-OXT 3.47Å; V824-L857 HydrophobicContact CB-CD1 4.45Å; V824-L857 HydrophobicContact CG1-CD1 4.39Å; V824-L857 HydrophobicContact CG2-CD1 3.91Å; V824-L857 HydrophobicContact CG2-CD2 4.31Å; S827-L857 WeakPolarHBondContact OG-CD2 3.41Å; L853-L857 HydrophobicContact CB-CD1 4.29Å; L853-L857 HydrophobicContact CD2-CD1 3.94Å; L853-L857 HydrophobicContact CD2-CG 4.43Å; L853-L857 PolarHBondContact O-N 3.13Å

Retrieved 857 of 857 residues in 171.1 ms (Link to these results)

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