A0A5K4F0E6_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0E6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,154 aa.

						>A0A5K4F0E6_SCHMA|A0A5K4F0E6
MTANAFLSSNCTVEDNVSASRLFLPKELHISDEWRKSEQRLTASNTSNMSSPIHNFNICGTSVTPMELFAQMTAHYKQISENCNYAQSMELFLTNPSVITQLASMNVSKITETVSISTSTAQQPPSSSSSSSDFTLTPLTTISKPSDLSSKQIDKIDSPTNHKRMSTNDFFHEFNILPNLHSLLKQSFELIICENFSNIQNDKYCSEELLAFTLEVIVNDKVYYSNIYEKLNNHWFKLEYIHELQMKEGNLCTYCCSDNYNDNDNDEDDNVNNENGNDNNKKRKHQNQSHRFLLESSLELHRNLQHSKQISDSNNNPLTVILTNSTFNELVEKLNLLISNSTFSDLFHSSLENHCKLQPYIKSSSPNLLSIHLKHIQSDSFQSMPKSLLQTNEIELNTTNSSTSFIVEQNFSAKNLATDNNTTTTTKNDINNICDSNIPLSLSMITSDQANLLHKDSIINDPHETLTNNVYSDHSNLLLNYTTTNKNDPNENNNITGKDNKINSLLTEAYFNSIKDYHLNNHHENIKFYEQYKQQTNTSIYSLQKRSRTRLNETQLNILRSYFDINNSPSDEKINEICNKTGLQEKVVKHWFRNTLFKERQKNKDNPYNFSIPPSTSLNIEEYEKTGRIELNNNNSFKQNYKLLYLNNNNNNEQNDKDKMNNLNLETNSNDLIIMKDKMNNDLYSIDQSIENENINNGSLNSTMKRSCEMESLKIIDQMKWINQNKRQRLEKDIQDGSLNDERPTSIVSIEDSDIIYNYKRNLHPTMTTTTTTTPSTENTDGEVHSFVLADNSNNSHESPPSITSESSPSISETPLSPRLPMIPELDNPQGVLAALIHLGHHNHIQQQSKSESEQKLTNLWGFPYLSSTSSSSTIRGFLNGTEVYTDPNKLHCQLTALMNASLSRTMPHIQTSSDSNEAPLDLSAKTTQSINVNSTGDNNCQNSSSFILEQNAQIIDNEDNNDFPVNNQDQFLSVPSLIQTEHASSVYRSTSTTSSTNGGRRNRTSITALQSRCMHSIYNYHKTPSVHECDRLGEMIGLSRRVVQVWFQNQRAKEKKMARVSSGQYNLSVNSSLLTEKLSPIDSSSCIDSNFCQICSISIQKSEITNNSVLTNQQATNACNQSTNFSSHASFVDHLFSAVHLKKLLRWCTMDTT
					

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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	37.8	Very low	37.2	Very low	146 Å²	146	98 Å²	98	72%	0.719	58%	0.583	S	S	*	*				0	-94	0	-74.6	172.3	173.2	0	0	111	A3 N4 A5 F972 L973	M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.12Å; M1-N4 PolarHBondContact N-OD1 2.67Å; M1-N4 VanDerWaalsContact N-OD1 3.11Å; M1-N4 WeakPolarHBondContact O-CA 3.36Å; M1-N4 WeakPolarHBondContact O-CB 3.35Å; M1-N4 PolarHBondContact O-N 2.89Å; M1-A5 PolarHBondContact O-N 3.19Å; M1-F972 HydrophobicContact CE-CE1 4.19Å; M1-L973 HydrophobicContact CE-CD1 4.46Å; M1-L973 HydrophobicContact CG-CD1 4.42Å; M1-L973 HydrophobicContact SD-CD1 3.75Å
2	T	37.2	Very low	36.7	Very low	120 Å²	120	100.7 Å²	100.7	74%	0.736	60%	0.6	S	S	*	*	H	α-helix	trans	-56.1	-39.1	-174.9	-30.6	0	0	0	0	113.9	A5 F6	T2-A5 PolarHBondContact O-N 2.91Å; T2-F6 PolarHBondContact O-N 2.92Å
3	A	29.9	Very low	36.4	Very low	51 Å²	51	104.3 Å²	104.3	42%	0.421	62%	0.623	S	S	.	*	H	α-helix	trans	-64.8	-37.4	174.3	0	0	0	0	0	113.4	M1 L7	M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.12Å; A3-L7 WeakPolarHBondContact O-CG 3.42Å; A3-L7 PolarHBondContact O-N 3.25Å
4	N	39.1	Very low	36.1	Very low	64 Å²	64	109.4 Å²	109.4	34%	0.342	64%	0.637	S	S	.	*	H	α-helix	trans	-67.7	-43.3	176	-56.8	53	0	0	0	110.3	M1 F6 L7 S8	M1-N4 PolarHBondContact N-OD1 2.67Å; M1-N4 VanDerWaalsContact N-OD1 3.11Å; M1-N4 WeakPolarHBondContact O-CA 3.36Å; M1-N4 WeakPolarHBondContact O-CB 3.35Å; M1-N4 PolarHBondContact O-N 2.89Å; N4-F6 VanDerWaalsContact C-N 3.29Å; N4-F6 PolarHBondContact O-N 3.42Å; N4-L7 PolarHBondContact O-N 3.27Å; N4-L7 VanDerWaalsContact O-N 3.07Å; N4-S8 PolarHBondContact O-N 3.36Å; N4-S8 PolarHBondContact O-OG 2.87Å; N4-S8 VanDerWaalsContact O-OG 3.09Å
5	A	39.2	Very low	35.8	Very low	63 Å²	63	111.4 Å²	111.4	52%	0.521	65%	0.645	S	S	.	*	H	α-helix	trans	-56.7	-42.6	179.2	0	0	0	0	0	112.3	M1 T2 L7 S8 S9	M1-A5 PolarHBondContact O-N 3.19Å; T2-A5 PolarHBondContact O-N 2.91Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-S8 PolarHBondContact O-N 2.85Å; A5-S9 PolarHBondContact O-N 3.1Å; A5-S9 VanDerWaalsContact O-N 3.12Å; A5-S9 PolarHBondContact O-OG 3.33Å
6	F	34.7	Very low	35.4	Very low	130 Å²	130	114.3 Å²	114.3	57%	0.57	66%	0.657	S	S	*	*	H	α-helix	trans	-74.7	-20.8	178.7	-147.4	-88.3	0	0	0	113.9	T2 N4 S9 N10	T2-F6 PolarHBondContact O-N 2.92Å; N4-F6 VanDerWaalsContact C-N 3.29Å; N4-F6 PolarHBondContact O-N 3.42Å; F6-S9 PolarHBondContact O-OG 3Å; F6-N10 PolarHBondContact O-ND2 2.82Å
7	L	42.4	Very low	35.2	Very low	123 Å²	123	116.2 Å²	116.2	64%	0.644	67%	0.671	S	S	*	*	H	α-helix	trans	-83	-34.2	170.7	-70.8	169.5	0	0	0	111.5	A3 N4 A5	A3-L7 WeakPolarHBondContact O-CG 3.42Å; A3-L7 PolarHBondContact O-N 3.25Å; N4-L7 PolarHBondContact O-N 3.27Å; N4-L7 VanDerWaalsContact O-N 3.07Å; A5-L7 VanDerWaalsContact C-N 3.34Å
8	S	41.7	Very low	34.9	Very low	94 Å²	94	116.2 Å²	116.2	66%	0.657	68%	0.679	S	S	*	*	H	α-helix	trans	-70.2	-30.2	176.3	-62.5	0	0	0	0	113.4	N4 A5 N10	N4-S8 PolarHBondContact O-N 3.36Å; N4-S8 PolarHBondContact O-OG 2.87Å; N4-S8 VanDerWaalsContact O-OG 3.09Å; A5-S8 PolarHBondContact O-N 2.85Å; S8-N10 VanDerWaalsContact C-N 3.34Å; S8-N10 PolarHBondContact O-N 2.88Å
9	S	39.9	Very low	34.5	Very low	71 Å²	71	115.5 Å²	115.5	50%	0.497	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-15.7	-178.4	59.9	0	0	0	0	114.8	A5 F6	A5-S9 PolarHBondContact O-N 3.1Å; A5-S9 VanDerWaalsContact O-N 3.12Å; A5-S9 PolarHBondContact O-OG 3.33Å; F6-S9 PolarHBondContact O-OG 3Å
10	N	35.1	Very low	34.4	Very low	113 Å²	113	115.3 Å²	115.3	60%	0.604	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	28.3	-169.6	-66.3	-15.7	0	0	0	113.3	F6 S8	F6-N10 PolarHBondContact O-ND2 2.82Å; S8-N10 VanDerWaalsContact C-N 3.34Å; S8-N10 PolarHBondContact O-N 2.88Å
11	C	32	Very low	34.2	Very low	103 Å²	103	121.3 Å²	121.3	70%	0.696	70%	0.703	S	S	*	*			trans	-128.4	30.1	-172.1	-70.3	0	0	0	0	115.4
12	T	31.2	Very low	33.9	Very low	130 Å²	130	122.1 Å²	122.1	80%	0.798	71%	0.709	S	S	*	*			trans	-147.1	65.4	173.8	56.1	0	0	0	0	114.1
13	V	32.8	Very low	33.7	Very low	148 Å²	148	126.5 Å²	126.5	90%	0.897	72%	0.718	S	S	*	*			trans	-142.7	129.6	151.3	-175.7	0	0	0	0	107
14	E	32.9	Very low	33.7	Very low	175 Å²	175	130 Å²	130	82%	0.818	73%	0.729	S	S	*	*			trans	-96.6	147	-175.2	-65.1	-179.5	137.5	0	0	112.6
15	D	31.2	Very low	33.4	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	74%	0.738	S	S	*	*	S	Bend	trans	55.8	142.3	158.6	-62.5	-11.9	0	0	0	122.9
16	N	29.3	Very low	33.3	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	75%	0.751	S	S	*	*			trans	86.9	43.9	163.3	-50.6	-67	0	0	0	120.3
17	V	31.6	Very low	33.7	Very low	148 Å²	148	136.7 Å²	136.7	90%	0.897	75%	0.754	S	S	*	*	S	Bend	trans	-131.9	132	148.4	-174.8	0	0	0	0	110.6
18	S	30.9	Very low	33.4	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	75%	0.748	S	S	*	*			trans	-65.1	128.8	-169.9	-57.9	0	0	0	0	114.3	S20	S18-S20 PolarHBondContact O-N 2.79Å
19	A	27.5	Very low	33.1	Very low	103 Å²	103	139.4 Å²	139.4	85%	0.851	76%	0.755	S	S	*	*			trans	-66.9	115.1	177.3	0	0	0	0	0	112.3
20	S	31.8	Very low	33	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	76%	0.764	S	S	*	*			trans	-158.3	139.6	167	-83.5	0	0	0	0	111.1	S18	S18-S20 PolarHBondContact O-N 2.79Å
21	R	29.1	Very low	33.2	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	76%	0.759	S	S	*	*	S	Bend	trans	74.4	37.3	174.1	-54.8	-177.1	172.9	-175.2	-2.6	119.3
22	L	32.4	Very low	33.5	Very low	164 Å²	164	140.5 Å²	140.5	86%	0.859	75%	0.753	S	S	*	*			trans	-138.7	97.7	147.2	-81.8	-176.9	0	0	0	110.9
23	F	32.7	Very low	33.9	Very low	211 Å²	211	141.4 Å²	141.4	93%	0.925	75%	0.748	S	S	*	*			trans	-90.7	111.4	167.6	-98.5	-87.5	0	0	0	109.4
24	L	31.3	Very low	34	Very low	124 Å²	124	140 Å²	140	65%	0.649	73%	0.727	S	S	*	*			trans	-78.5	140	159.6	-95.6	74.8	0	0	0	109.5
25	P	31.5	Very low	34.2	Very low	81 Å²	81	140.7 Å²	140.7	53%	0.526	72%	0.721	S	S	.	*			trans	-61.5	149.3	166.2	-20.4	33.1	0	0	0	111.6	E27	P25-E27 WeakPolarHBondContact CB-OE2 3.33Å; P25-E27 PolarHBondContact O-N 2.77Å
26	K	38.1	Very low	34.8	Very low	183 Å²	183	141 Å²	141	80%	0.796	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-69	-17.1	-176.3	-74.9	-175.3	175.9	-179.7	0	113.4	L28	K26-L28 PolarHBondContact O-N 3.43Å
27	E	41.6	Very low	35.3	Very low	135 Å²	135	136.2 Å²	136.2	63%	0.631	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-67.8	-11	-177.3	-62.3	79.3	-170.6	0	0	114.3	P25	P25-E27 WeakPolarHBondContact CB-OE2 3.33Å; P25-E27 PolarHBondContact O-N 2.77Å
28	L	36.2	Very low	35.7	Very low	100 Å²	100	134.7 Å²	134.7	52%	0.524	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-105	19.7	-178	-75.8	168.5	0	0	0	114.7	K26 I30	K26-L28 PolarHBondContact O-N 3.43Å; L28-I30 PolarHBondContact O-N 3.41Å
29	H	36.8	Very low	36.2	Very low	174 Å²	174	136.6 Å²	136.6	81%	0.806	67%	0.674	S	S	*	*			trans	-69	100.2	171.8	-108.7	-91.8	0	0	0	111.8	S31	H29-S31 PolarHBondContact O-N 2.83Å
30	I	37.2	Very low	36.9	Very low	132 Å²	132	141.8 Å²	141.8	68%	0.677	67%	0.672	S	S	*	*			trans	-73.1	123.1	169.7	-59.7	176.5	0	0	0	108.8	L28 W34	L28-I30 PolarHBondContact O-N 3.41Å; I30-W34 HydrophobicContact CG2-CB 3.68Å; I30-W34 HydrophobicContact CG2-CG 3.91Å
31	S	40	Very low	37.2	Very low	71 Å²	71	143.7 Å²	143.7	50%	0.497	67%	0.672	S	S	.	*			trans	-66.3	148.2	-179.8	178	0	0	0	0	112.8	H29 E33 W34	H29-S31 PolarHBondContact O-N 2.83Å; S31-E33 PolarHBondContact O-N 3.48Å; S31-E33 PolarHBondContact OG-N 2.83Å; S31-W34 WeakPolarHBondContact O-CB 3.4Å; S31-W34 PolarHBondContact O-N 3.2Å
32	D	37.2	Very low	37.8	Very low	107 Å²	107	138.3 Å²	138.3	57%	0.572	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-15.8	173.5	-78.9	-54.6	0	0	0	114.2	W34 R35	D32-W34 PolarHBondContact O-N 3.08Å; D32-R35 PolarHBondContact O-N 2.96Å; D32-R35 IonicContact OD1-NH1 3.88Å
33	E	40.2	Very low	38	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	66%	0.657	S	S	*	*	H	α-helix	trans	-58.2	-35.1	170.3	-67.3	-172.8	119.2	0	0	112.7	S31 R35 K36 S37	S31-E33 PolarHBondContact O-N 3.48Å; S31-E33 PolarHBondContact OG-N 2.83Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.89Å; E33-K36 WeakPolarHBondContact O-CA 3.49Å; E33-K36 PolarHBondContact O-N 3.31Å; E33-S37 PolarHBondContact O-N 3.2Å; E33-S37 VanDerWaalsContact O-N 3.09Å; E33-S37 PolarHBondContact O-OG 3.05Å
34	W	35.7	Very low	38.3	Very low	120 Å²	120	129.3 Å²	129.3	46%	0.455	65%	0.648	S	S	.	*	H	α-helix	trans	-63.1	-34.8	-179.5	-146.8	92.5	0	0	0	111.8	I30 S31 D32 K36 S37	I30-W34 HydrophobicContact CG2-CB 3.68Å; I30-W34 HydrophobicContact CG2-CG 3.91Å; S31-W34 WeakPolarHBondContact O-CB 3.4Å; S31-W34 PolarHBondContact O-N 3.2Å; D32-W34 PolarHBondContact O-N 3.08Å; W34-K36 PolarHBondContact O-N 3.27Å; W34-S37 WeakPolarHBondContact CA-OG 3.21Å; W34-S37 PolarHBondContact O-OG 2.92Å
35	R	36.6	Very low	38.4	Very low	188 Å²	188	130.5 Å²	130.5	71%	0.709	66%	0.655	S	S	*	*	H	α-helix	trans	-72.6	-15.6	175.4	-168.3	178.8	-96.8	133.2	-10.7	112.8	D32 E33	D32-R35 PolarHBondContact O-N 2.96Å; D32-R35 IonicContact OD1-NH1 3.88Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.89Å
36	K	43.1	Very low	38.5	Very low	148 Å²	148	133.3 Å²	133.3	64%	0.643	67%	0.671	S	S	*	*	H	α-helix	trans	-97.7	-21.2	177.3	-65.8	175.9	-176.8	171.2	0	113.4	E33 W34	E33-K36 WeakPolarHBondContact O-CA 3.49Å; E33-K36 PolarHBondContact O-N 3.31Å; W34-K36 PolarHBondContact O-N 3.27Å
37	S	40.6	Very low	38.3	Very low	55 Å²	55	128.7 Å²	128.7	39%	0.385	66%	0.662	S	S	.	*	H	α-helix	trans	-70.9	-39.3	179.4	35.7	0	0	0	0	114.2	E33 W34 Q39 R40	E33-S37 PolarHBondContact O-N 3.2Å; E33-S37 VanDerWaalsContact O-N 3.09Å; E33-S37 PolarHBondContact O-OG 3.05Å; W34-S37 WeakPolarHBondContact CA-OG 3.21Å; W34-S37 PolarHBondContact O-OG 2.92Å; S37-Q39 PolarHBondContact O-N 3.39Å; S37-R40 PolarHBondContact O-N 2.71Å; S37-R40 VanDerWaalsContact O-N 3.1Å
38	E	38.5	Very low	37.8	Very low	116 Å²	116	129 Å²	129	54%	0.542	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-61.9	-32.8	179.5	-74.4	-174.1	135.2	0	0	112.2	R40 L41	E38-R40 VanDerWaalsContact C-N 3.25Å; E38-R40 PolarHBondContact O-N 3.1Å; E38-L41 PolarHBondContact O-N 3.22Å
39	Q	41.4	Very low	37.6	Very low	156 Å²	156	133 Å²	133	73%	0.729	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-71.3	-10	177.1	-70	-172.8	-19	0	0	114.9	S37	S37-Q39 PolarHBondContact O-N 3.39Å
40	R	42.3	Very low	37.4	Very low	213 Å²	213	129.8 Å²	129.8	80%	0.804	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-94.8	-19.2	175.7	-89.5	-169.8	175.2	-165.7	-0.5	114.4	S37 E38	S37-R40 PolarHBondContact O-N 2.71Å; S37-R40 VanDerWaalsContact O-N 3.1Å; E38-R40 VanDerWaalsContact C-N 3.25Å; E38-R40 PolarHBondContact O-N 3.1Å
41	L	38.7	Very low	36.9	Very low	151 Å²	151	128.6 Å²	128.6	79%	0.791	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-8.2	-173.1	-71	168.3	0	0	0	113.9	E38	E38-L41 PolarHBondContact O-N 3.22Å
42	T	41.3	Very low	36.6	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	8	178.7	50.9	0	0	0	0	114.1
43	A	38.1	Very low	36.3	Very low	80 Å²	80	132 Å²	132	66%	0.661	70%	0.704	S	S	*	*	S	Bend	trans	-133.8	29.8	-161.4	0	0	0	0	0	116.2
44	S	37.4	Very low	36.3	Very low	107 Å²	107	132 Å²	132	75%	0.748	70%	0.703	S	S	*	*			trans	-160.6	110.4	167.4	57.7	0	0	0	0	113.9
45	N	33	Very low	36.1	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	70%	0.7	S	S	*	*			trans	-91.2	126	159.8	-81.6	-22.6	0	0	0	109.3
46	T	35.3	Very low	36.1	Very low	140 Å²	140	124.7 Å²	124.7	86%	0.859	68%	0.684	S	S	*	*			trans	-178.6	155.1	132.8	30.8	0	0	0	0	110.9
47	S	33.4	Very low	35.6	Very low	86 Å²	86	123.4 Å²	123.4	60%	0.601	68%	0.684	S	S	*	*			trans	-35.2	157.3	176.3	40.2	0	0	0	0	119.6
48	N	31.7	Very low	35.6	Very low	142 Å²	142	124 Å²	124	76%	0.759	68%	0.682	S	S	*	*			trans	63.6	106.8	163.6	-61.9	-17.1	0	0	0	118.2
49	M	31.9	Very low	35.7	Very low	183 Å²	183	123.9 Å²	123.9	90%	0.901	69%	0.692	S	S	*	*				-172.1	171.5	111.4	-99.1	-58.4	150.1	0	0	112.3
50	S	32.7	Very low	35.7	Very low	107 Å²	107	119.6 Å²	119.6	75%	0.748	69%	0.691	S	S	*	*			trans	-67.5	158.9	-178	-165.4	0	0	0	0	114.1	P52	S50-P52 WeakPolarHBondContact O-CD 3.33Å
51	S	26.4	Very low	35.6	Very low	107 Å²	107	113.8 Å²	113.8	75%	0.748	68%	0.679	S	S	*	*			trans	-57.7	130.5	-170.7	-51.2	0	0	0	0	115.8
52	P	32.9	Very low	35.8	Very low	109 Å²	109	109.9 Å²	109.9	71%	0.708	66%	0.664	S	S	*	*			trans	-99.5	110.8	153.1	8.8	11.4	0	0	0	109.9	S50 H54	S50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-H54 PolarHBondContact O-N 3.36Å
53	I	31	Very low	36.4	Very low	141 Å²	141	104.2 Å²	104.2	72%	0.723	63%	0.629	S	S	*	*			trans	-72.9	96.6	166.1	-61.6	174.9	0	0	0	107.2	N55	I53-N55 PolarHBondContact O-N 3.14Å
54	H	39.5	Very low	37.9	Very low	147 Å²	147	103 Å²	103	68%	0.681	61%	0.614	S	S	*	*			trans	-73.3	97	175.5	-112.7	-73.1	0	0	0	110.2	P52	P52-H54 PolarHBondContact O-N 3.36Å
55	N	32.8	Very low	38.9	Very low	72 Å²	72	101.3 Å²	101.3	39%	0.385	60%	0.6	S	S	.	*			trans	-66.7	136.4	166.4	-72.7	-23.1	0	0	0	109.9	I53	I53-N55 PolarHBondContact O-N 3.14Å
56	F	35.5	Very low	40.2	Very low	84 Å²	84	101.6 Å²	101.6	37%	0.368	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	115	174.7	-72.7	-79.9	0	0	0	109.5	I58 V63 P65	F56-I58 PolarHBondContact O-N 2.83Å; F56-V63 PolarHBondContact N-O 3.03Å; F56-V63 PolarHBondContact O-N 3.27Å; F56-P65 HydrophobicContact CD2-CG 4.2Å; F56-P65 HydrophobicContact CE2-CB 4.44Å; F56-P65 HydrophobicContact CE2-CG 4.02Å
57	N	33.1	Very low	41.8	Very low	121 Å²	121	99.4 Å²	99.4	65%	0.647	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.5	110.4	174.6	-78.4	-6.9	0	0	0	110.3	T61	N57-T61 WeakPolarHBondContact CA-O 3.41Å
58	I	40	Very low	43.4	Very low	66 Å²	66	97.5 Å²	97.5	34%	0.338	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.2	127	166.8	-59.5	179.1	0	0	0	106.6	F56 G60 T61 L68	F56-I58 PolarHBondContact O-N 2.83Å; I58-G60 PolarHBondContact O-N 3.36Å; I58-T61 PolarHBondContact N-O 3.36Å; I58-T61 PolarHBondContact O-N 2.78Å; I58-T61 VanDerWaalsContact O-N 3.13Å; I58-T61 PolarHBondContact O-OG1 3.21Å; I58-L68 HydrophobicContact CD1-CD1 3.77Å
59	C	40.5	Very low	45.2	Very low	114 Å²	114	97.5 Å²	97.5	77%	0.77	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.7	31.1	-173	-76.4	0	0	0	0	115.3	T61	C59-T61 VanDerWaalsContact C-N 3.32Å; C59-T61 PolarHBondContact O-N 2.69Å
60	G	41.5	Very low	47	Very low	67 Å²	67	91.3 Å²	91.3	69%	0.691	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	0.6	176.7	0	0	0	0	0	115.8	I58	I58-G60 PolarHBondContact O-N 3.36Å
61	T	41.7	Very low	48.8	Very low	91 Å²	91	90.9 Å²	90.9	56%	0.558	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	139	168.7	52.9	0	0	0	0	110.9	N57 I58 C59 V63	N57-T61 WeakPolarHBondContact CA-O 3.41Å; I58-T61 PolarHBondContact N-O 3.36Å; I58-T61 PolarHBondContact O-N 2.78Å; I58-T61 VanDerWaalsContact O-N 3.13Å; I58-T61 PolarHBondContact O-OG1 3.21Å; C59-T61 VanDerWaalsContact C-N 3.32Å; C59-T61 PolarHBondContact O-N 2.69Å; T61-V63 PolarHBondContact O-N 2.84Å; T61-V63 VanDerWaalsContact O-N 3.16Å
62	S	41.5	Very low	50.6	Low	68 Å²	68	90.6 Å²	90.6	48%	0.476	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	91.7	-179.7	56	0	0	0	0	110.7
63	V	54.4	Low	52.4	Low	9 Å²	9	88.7 Å²	88.7	6%	0.055	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.2	179.1	-175	0	0	0	0	109.5	F56 T61 E67 L68	F56-V63 PolarHBondContact N-O 3.03Å; F56-V63 PolarHBondContact O-N 3.27Å; T61-V63 PolarHBondContact O-N 2.84Å; T61-V63 VanDerWaalsContact O-N 3.16Å; V63-E67 HydrophobicContact CG1-CB 3.94Å; V63-E67 HydrophobicContact CG1-CG 3.99Å; V63-L68 HydrophobicContact CG1-CB 3.97Å
64	T	69.3	Low	54.2	Low	54 Å²	54	84.7 Å²	84.7	33%	0.331	48%	0.482	S	S	.	.			trans	-75.3	154.3	175.9	67.2	0	0	0	0	111.2	M66 E67 L68	T64-M66 PolarHBondContact O-N 3.27Å; T64-M66 VanDerWaalsContact O-N 3.13Å; T64-E67 PolarHBondContact N-OE2 3.3Å; T64-E67 WeakPolarHBondContact O-CB 3.36Å; T64-E67 PolarHBondContact O-N 3.1Å; T64-E67 WeakPolarHBondContact OG1-CB 3.3Å; T64-E67 PolarHBondContact OG1-N 3.44Å; T64-E67 PolarHBondContact OG1-OE2 3.03Å; T64-L68 PolarHBondContact O-N 3.28Å
65	P	57.7	Low	55.1	Low	71 Å²	71	82.3 Å²	82.3	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-57.7	-31.9	179.7	-24.4	33	0	0	0	113.8	F56 F69	F56-P65 HydrophobicContact CD2-CG 4.2Å; F56-P65 HydrophobicContact CE2-CB 4.44Å; F56-P65 HydrophobicContact CE2-CG 4.02Å; P65-F69 WeakPolarHBondContact O-CB 3.12Å; P65-F69 PolarHBondContact O-N 3.46Å
66	M	60.7	Low	56.3	Low	155 Å²	155	86.1 Å²	86.1	76%	0.764	48%	0.481	S	S	*	.	H	α-helix	trans	-73.5	-31.4	177.6	-168.4	173.4	-64.4	0	0	112.6	T64 A70	T64-M66 PolarHBondContact O-N 3.27Å; T64-M66 VanDerWaalsContact O-N 3.13Å; M66-A70 WeakPolarHBondContact O-CB 3.36Å; M66-A70 PolarHBondContact O-N 2.68Å
67	E	69.3	Low	57.8	Low	94 Å²	94	86.2 Å²	86.2	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-80.9	-37.6	178.8	-171.9	170.5	-150.2	0	0	111.5	V63 T64 F69 A70 Q71	V63-E67 HydrophobicContact CG1-CB 3.94Å; V63-E67 HydrophobicContact CG1-CG 3.99Å; T64-E67 PolarHBondContact N-OE2 3.3Å; T64-E67 WeakPolarHBondContact O-CB 3.36Å; T64-E67 PolarHBondContact O-N 3.1Å; T64-E67 WeakPolarHBondContact OG1-CB 3.3Å; T64-E67 PolarHBondContact OG1-N 3.44Å; T64-E67 PolarHBondContact OG1-OE2 3.03Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-A70 WeakPolarHBondContact O-CB 3.41Å; E67-A70 PolarHBondContact O-N 2.95Å; E67-Q71 VanDerWaalsContact O-CG 3.32Å; E67-Q71 WeakPolarHBondContact O-CG 3.11Å; E67-Q71 PolarHBondContact O-N 3.23Å
68	L	67.2	Low	59.2	Low	46 Å²	46	85.8 Å²	85.8	24%	0.241	48%	0.475	C	S	.	.	H	α-helix	trans	-60	-45.1	166.2	180	60.6	0	0	0	110.7	I58 V63 T64 A70 Q71 M72	I58-L68 HydrophobicContact CD1-CD1 3.77Å; V63-L68 HydrophobicContact CG1-CB 3.97Å; T64-L68 PolarHBondContact O-N 3.28Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.92Å; L68-Q71 PolarHBondContact O-N 3.12Å; L68-M72 HydrophobicContact CD1-CG 4.42Å; L68-M72 HydrophobicContact CG-SD 4.37Å; L68-M72 WeakPolarHBondContact O-CB 3.43Å; L68-M72 WeakPolarHBondContact O-CG 3.46Å; L68-M72 PolarHBondContact O-N 3.3Å
69	F	68.9	Low	60.1	Low	141 Å²	141	86.4 Å²	86.4	62%	0.618	48%	0.478	S	S	*	.	H	α-helix	trans	-61	-38.8	173.6	179.4	-96.4	0	0	0	112.4	P65 E67 T73	P65-F69 WeakPolarHBondContact O-CB 3.12Å; P65-F69 PolarHBondContact O-N 3.46Å; E67-F69 VanDerWaalsContact C-N 3.34Å; F69-T73 VanDerWaalsContact O-CB 3.26Å; F69-T73 WeakPolarHBondContact O-CB 2.98Å; F69-T73 PolarHBondContact O-N 3.41Å; F69-T73 PolarHBondContact O-OG1 3.17Å
70	A	69.5	Low	60.8	Low	54 Å²	54	83.1 Å²	83.1	45%	0.446	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174.8	0	0	0	0	0	112.3	M66 E67 L68 T73 A74	M66-A70 WeakPolarHBondContact O-CB 3.36Å; M66-A70 PolarHBondContact O-N 2.68Å; E67-A70 WeakPolarHBondContact O-CB 3.41Å; E67-A70 PolarHBondContact O-N 2.95Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.92Å; A70-T73 PolarHBondContact O-N 2.91Å; A70-A74 WeakPolarHBondContact O-CB 3.34Å; A70-A74 PolarHBondContact O-N 2.61Å
71	Q	70.9	Confident	61.4	Low	98 Å²	98	81.6 Å²	81.6	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-63	-47.9	174.9	-70.9	171	12.7	0	0	111.6	E67 L68 T73 A74 H75	E67-Q71 VanDerWaalsContact O-CG 3.32Å; E67-Q71 WeakPolarHBondContact O-CG 3.11Å; E67-Q71 PolarHBondContact O-N 3.23Å; L68-Q71 PolarHBondContact O-N 3.12Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 3.02Å; Q71-A74 PolarHBondContact O-N 3.17Å; Q71-H75 WeakPolarHBondContact O-CB 3.45Å; Q71-H75 PolarHBondContact O-N 2.95Å
72	M	65.7	Low	62	Low	101 Å²	101	81.7 Å²	81.7	50%	0.498	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-41.5	174.7	-70.5	-178.6	76.8	0	0	111.9	L68 H75 Y76	L68-M72 HydrophobicContact CD1-CG 4.42Å; L68-M72 HydrophobicContact CG-SD 4.37Å; L68-M72 WeakPolarHBondContact O-CB 3.43Å; L68-M72 WeakPolarHBondContact O-CG 3.46Å; L68-M72 PolarHBondContact O-N 3.3Å; M72-H75 PolarHBondContact O-N 3.34Å; M72-Y76 WeakPolarHBondContact O-CB 3.13Å; M72-Y76 PolarHBondContact O-N 3.49Å
73	T	69.3	Low	62.3	Low	69 Å²	69	82.1 Å²	82.1	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177.1	-59.2	0	0	0	0	111.4	F69 A70 Q71 K77	F69-T73 VanDerWaalsContact O-CB 3.26Å; F69-T73 WeakPolarHBondContact O-CB 2.98Å; F69-T73 PolarHBondContact O-N 3.41Å; F69-T73 PolarHBondContact O-OG1 3.17Å; A70-T73 PolarHBondContact O-N 2.91Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 3.02Å; T73-K77 WeakPolarHBondContact O-CB 3.41Å; T73-K77 PolarHBondContact O-N 3.37Å
74	A	68.2	Low	61.8	Low	57 Å²	57	86.2 Å²	86.2	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.4	0	0	0	0	0	112	A70 Q71 K77 Q78	A70-A74 WeakPolarHBondContact O-CB 3.34Å; A70-A74 PolarHBondContact O-N 2.61Å; Q71-A74 PolarHBondContact O-N 3.17Å; A74-K77 WeakPolarHBondContact O-CB 3.32Å; A74-K77 PolarHBondContact O-N 2.66Å; A74-Q78 WeakPolarHBondContact O-CB 3.5Å; A74-Q78 PolarHBondContact O-N 3.4Å
75	H	59.8	Low	60.9	Low	96 Å²	96	89 Å²	89	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-44.6	177.8	-170.5	-104	0	0	0	112.2	Q71 M72 K77 Q78 I79	Q71-H75 WeakPolarHBondContact O-CB 3.45Å; Q71-H75 PolarHBondContact O-N 2.95Å; M72-H75 PolarHBondContact O-N 3.34Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.47Å; H75-Q78 PolarHBondContact O-N 2.98Å; H75-I79 WeakPolarHBondContact O-CG1 3.14Å; H75-I79 PolarHBondContact O-N 2.81Å
76	Y	58	Low	60.1	Low	153 Å²	153	88.1 Å²	88.1	60%	0.6	46%	0.456	S	S	*	.	H	α-helix	trans	-62.9	-39.3	175.1	-165.3	-82.5	0	0	0	111.6	M72 I79 S80	M72-Y76 WeakPolarHBondContact O-CB 3.13Å; M72-Y76 PolarHBondContact O-N 3.49Å; Y76-I79 PolarHBondContact O-N 3.41Å; Y76-S80 PolarHBondContact O-N 3.09Å
77	K	65.7	Low	59.5	Low	85 Å²	85	86.3 Å²	86.3	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-59.2	-49	172.4	-176.9	-170.1	164	-172.5	0	110.7	T73 A74 H75 I79 S80 E81 S611	T73-K77 WeakPolarHBondContact O-CB 3.41Å; T73-K77 PolarHBondContact O-N 3.37Å; A74-K77 WeakPolarHBondContact O-CB 3.32Å; A74-K77 PolarHBondContact O-N 2.66Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.47Å; K77-I79 PolarHBondContact O-N 2.85Å; K77-S80 CarbonylContact O-C 3.57Å; K77-S80 PolarHBondContact O-N 2.95Å; K77-S80 VanDerWaalsContact O-N 3.11Å; K77-S80 PolarHBondContact O-OG 3.3Å; K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 VanDerWaalsContact CE-OE2 3.26Å; K77-E81 WeakPolarHBondContact CE-OE2 3.39Å; K77-E81 IonicContact NZ-OE1 2.85Å; K77-E81 PolarHBondContact NZ-OE1 3Å; K77-E81 WeakPolarHBondContact O-CB 3.2Å; K77-E81 WeakPolarHBondContact O-CG 3.28Å; K77-E81 PolarHBondContact O-N 3.39Å; K77-S611 PolarHBondContact NZ-OG 3.15Å
78	Q	64.3	Low	58.3	Low	113 Å²	113	85 Å²	85	53%	0.528	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-39.7	178	-173.1	177.2	-2.1	0	0	112.8	A74 H75 E81 N82	A74-Q78 WeakPolarHBondContact O-CB 3.5Å; A74-Q78 PolarHBondContact O-N 3.4Å; H75-Q78 PolarHBondContact O-N 2.98Å; Q78-E81 PolarHBondContact O-N 3.39Å; Q78-N82 VanDerWaalsContact O-CG 3.3Å; Q78-N82 PolarHBondContact O-N 3.38Å
79	I	59.1	Low	57.3	Low	79 Å²	79	86.4 Å²	86.4	41%	0.405	45%	0.453	S	S	.	.	H	α-helix	trans	-60.5	-49.4	171.2	-68.1	168.1	0	0	0	110.2	H75 Y76 K77 E81 N82 C83	H75-I79 WeakPolarHBondContact O-CG1 3.14Å; H75-I79 PolarHBondContact O-N 2.81Å; Y76-I79 PolarHBondContact O-N 3.41Å; K77-I79 PolarHBondContact O-N 2.85Å; I79-E81 PolarHBondContact O-N 3.32Å; I79-N82 PolarHBondContact O-N 2.88Å; I79-C83 PolarHBondContact O-N 3.16Å; I79-C83 PolarHBondContact O-SG 3.36Å
80	S	53.6	Low	56.2	Low	44 Å²	44	85.9 Å²	85.9	31%	0.308	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-32.2	179.4	77.4	0	0	0	0	112.5	Y76 K77 N84	Y76-S80 PolarHBondContact O-N 3.09Å; K77-S80 CarbonylContact O-C 3.57Å; K77-S80 PolarHBondContact O-N 2.95Å; K77-S80 VanDerWaalsContact O-N 3.11Å; K77-S80 PolarHBondContact O-OG 3.3Å; S80-N84 WeakPolarHBondContact O-CB 3.11Å; S80-N84 PolarHBondContact O-N 3.38Å; S80-N84 PolarHBondContact O-ND2 3Å
81	E	53.9	Low	55	Low	35 Å²	35	88.8 Å²	88.8	16%	0.164	46%	0.46	C	S	.	.	H	α-helix	trans	-75.9	-36.7	177.6	-73.5	167.7	157.8	0	0	111.8	K77 Q78 I79 Y85 S611	K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 VanDerWaalsContact CE-OE2 3.26Å; K77-E81 WeakPolarHBondContact CE-OE2 3.39Å; K77-E81 IonicContact NZ-OE1 2.85Å; K77-E81 PolarHBondContact NZ-OE1 3Å; K77-E81 WeakPolarHBondContact O-CB 3.2Å; K77-E81 WeakPolarHBondContact O-CG 3.28Å; K77-E81 PolarHBondContact O-N 3.39Å; Q78-E81 PolarHBondContact O-N 3.39Å; I79-E81 PolarHBondContact O-N 3.32Å; E81-Y85 WeakPolarHBondContact O-CB 3.29Å; E81-Y85 PolarHBondContact O-N 3.45Å; E81-S611 WeakPolarHBondContact OE1-CA 3.48Å; E81-S611 WeakPolarHBondContact OE1-CB 3.1Å; E81-S611 PolarHBondContact OE1-OG 2.93Å
82	N	54.6	Low	53.6	Low	93 Å²	93	90.2 Å²	90.2	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-64.9	-41	170.3	-71.6	-10.8	0	0	0	112.2	Q78 I79 Y85 A86	Q78-N82 VanDerWaalsContact O-CG 3.3Å; Q78-N82 PolarHBondContact O-N 3.38Å; I79-N82 PolarHBondContact O-N 2.88Å; N82-Y85 PolarHBondContact O-N 2.88Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 3.46Å
83	C	48.6	Very low	52.6	Low	78 Å²	78	89.9 Å²	89.9	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-66.5	-46.8	175.1	-67.7	0	0	0	0	112	I79 Y85 A86 Q87	I79-C83 PolarHBondContact O-N 3.16Å; I79-C83 PolarHBondContact O-SG 3.36Å; C83-Y85 VanDerWaalsContact C-N 3.28Å; C83-Y85 PolarHBondContact O-N 2.94Å; C83-A86 PolarHBondContact O-N 3.31Å; C83-Q87 WeakPolarHBondContact O-CB 3.3Å; C83-Q87 PolarHBondContact O-N 3.43Å
84	N	44.4	Very low	51.5	Low	95 Å²	95	90.8 Å²	90.8	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-35.2	174.5	-81.7	-76.4	0	0	0	111.7	S80 S88	S80-N84 WeakPolarHBondContact O-CB 3.11Å; S80-N84 PolarHBondContact O-N 3.38Å; S80-N84 PolarHBondContact O-ND2 3Å; N84-S88 WeakPolarHBondContact O-CB 3.37Å; N84-S88 PolarHBondContact O-N 2.9Å; N84-S88 PolarHBondContact O-OG 2.83Å
85	Y	48.7	Very low	50.1	Low	112 Å²	112	91.5 Å²	91.5	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-45.9	174.7	178.4	-102.9	0	0	0	112	E81 N82 C83 Q87 S88 M89 P613	E81-Y85 WeakPolarHBondContact O-CB 3.29Å; E81-Y85 PolarHBondContact O-N 3.45Å; N82-Y85 PolarHBondContact O-N 2.88Å; C83-Y85 VanDerWaalsContact C-N 3.28Å; C83-Y85 PolarHBondContact O-N 2.94Å; Y85-Q87 PolarHBondContact O-N 2.96Å; Y85-S88 PolarHBondContact O-N 3.13Å; Y85-M89 HydrophobicContact CD1-CG 4.21Å; Y85-M89 HydrophobicContact CD2-CG 4.29Å; Y85-M89 HydrophobicContact CE1-CG 3.77Å; Y85-M89 HydrophobicContact CE2-CG 3.85Å; Y85-M89 HydrophobicContact CE2-SD 4.04Å; Y85-M89 HydrophobicContact CG-CG 4.45Å; Y85-M89 WeakPolarHBondContact O-CB 3Å; Y85-M89 VanDerWaalsContact O-CG 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.47Å; Y85-M89 PolarHBondContact O-N 3.27Å; Y85-P613 HydrophobicContact CD2-CG 4.22Å; Y85-P613 HydrophobicContact CE2-CG 4.47Å
86	A	42.3	Very low	49.2	Very low	52 Å²	52	91.5 Å²	91.5	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-57.2	-49.7	174.2	0	0	0	0	0	111.2	N82 C83 S88 M89 E90	N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 3.46Å; C83-A86 PolarHBondContact O-N 3.31Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 2.65Å; A86-M89 PolarHBondContact O-N 2.82Å; A86-M89 VanDerWaalsContact O-N 3.15Å; A86-E90 PolarHBondContact O-N 3.01Å
87	Q	48.2	Very low	48.5	Very low	117 Å²	117	87.9 Å²	87.9	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-32.9	177.7	-165.4	172.1	22.3	0	0	112.6	C83 Y85 L91	C83-Q87 WeakPolarHBondContact O-CB 3.3Å; C83-Q87 PolarHBondContact O-N 3.43Å; Y85-Q87 PolarHBondContact O-N 2.96Å; Q87-L91 WeakPolarHBondContact O-CB 3.42Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 2.63Å
88	S	43.2	Very low	47.7	Very low	67 Å²	67	84.9 Å²	84.9	47%	0.469	46%	0.461	S	S	.	.	H	α-helix	trans	-73.8	-32.7	174.7	-60.6	0	0	0	0	112.4	N84 Y85 A86 F92	N84-S88 WeakPolarHBondContact O-CB 3.37Å; N84-S88 PolarHBondContact O-N 2.9Å; N84-S88 PolarHBondContact O-OG 2.83Å; Y85-S88 PolarHBondContact O-N 3.13Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 2.65Å; S88-F92 WeakPolarHBondContact O-CB 3.46Å; S88-F92 PolarHBondContact O-N 2.96Å
89	M	45.8	Very low	46.7	Very low	75 Å²	75	83.5 Å²	83.5	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-71.5	-38.8	173.3	-74.7	-63.2	-61	0	0	111.4	Y85 A86 F92 L93	Y85-M89 HydrophobicContact CD1-CG 4.21Å; Y85-M89 HydrophobicContact CD2-CG 4.29Å; Y85-M89 HydrophobicContact CE1-CG 3.77Å; Y85-M89 HydrophobicContact CE2-CG 3.85Å; Y85-M89 HydrophobicContact CE2-SD 4.04Å; Y85-M89 HydrophobicContact CG-CG 4.45Å; Y85-M89 WeakPolarHBondContact O-CB 3Å; Y85-M89 VanDerWaalsContact O-CG 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.47Å; Y85-M89 PolarHBondContact O-N 3.27Å; A86-M89 PolarHBondContact O-N 2.82Å; A86-M89 VanDerWaalsContact O-N 3.15Å; M89-F92 PolarHBondContact O-N 2.85Å; M89-L93 WeakPolarHBondContact O-CB 2.93Å; M89-L93 VanDerWaalsContact O-CG 3.27Å; M89-L93 WeakPolarHBondContact O-CG 3.47Å; M89-L93 PolarHBondContact O-N 3.19Å
90	E	46.8	Very low	46.1	Very low	130 Å²	130	84.2 Å²	84.2	61%	0.607	46%	0.464	S	S	*	.	H	α-helix	trans	-58.9	-49.7	168.5	-71.5	179.6	142.7	0	0	110.8	A86 F92 L93 T94	A86-E90 PolarHBondContact O-N 3.01Å; E90-F92 PolarHBondContact O-N 3.14Å; E90-L93 CarbonylContact O-C 3.59Å; E90-L93 PolarHBondContact O-N 3.28Å; E90-L93 VanDerWaalsContact O-N 3.08Å; E90-T94 WeakPolarHBondContact O-CG2 3.47Å; E90-T94 PolarHBondContact O-N 3.09Å; E90-T94 PolarHBondContact O-OG1 2.95Å
91	L	43.4	Very low	45.6	Very low	116 Å²	116	88 Å²	88	61%	0.607	48%	0.477	S	S	*	.	H	α-helix	trans	-62.4	-24.9	175.4	-73.1	168.4	0	0	0	114.1	Q87 T94	Q87-L91 WeakPolarHBondContact O-CB 3.42Å; Q87-L91 VanDerWaalsContact O-CG 3.26Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 2.63Å; L91-T94 PolarHBondContact O-OG1 3.38Å
92	F	42.8	Very low	45.1	Very low	127 Å²	127	89.8 Å²	89.8	56%	0.557	49%	0.488	S	S	*	.	H	α-helix	trans	-79	-35.5	173.8	-154.9	-89.1	0	0	0	111.7	S88 M89 E90 V98	S88-F92 WeakPolarHBondContact O-CB 3.46Å; S88-F92 PolarHBondContact O-N 2.96Å; M89-F92 PolarHBondContact O-N 2.85Å; E90-F92 PolarHBondContact O-N 3.14Å; F92-V98 HydrophobicContact CD1-CG1 3.96Å; F92-V98 HydrophobicContact CD1-CG2 4.21Å; F92-V98 HydrophobicContact CE1-CG1 3.91Å; F92-V98 HydrophobicContact CE1-CG2 3.9Å; F92-V98 HydrophobicContact CZ-CG2 4.3Å; F92-V98 WeakPolarHBondContact O-CB 3.49Å
93	L	43.3	Very low	44.5	Very low	95 Å²	95	88.1 Å²	88.1	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-80.8	-23.7	179.2	-70.3	169.1	0	0	0	113.6	M89 E90 N95 I99 L102	M89-L93 WeakPolarHBondContact O-CB 2.93Å; M89-L93 VanDerWaalsContact O-CG 3.27Å; M89-L93 WeakPolarHBondContact O-CG 3.47Å; M89-L93 PolarHBondContact O-N 3.19Å; E90-L93 CarbonylContact O-C 3.59Å; E90-L93 PolarHBondContact O-N 3.28Å; E90-L93 VanDerWaalsContact O-N 3.08Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-I99 WeakPolarHBondContact O-CD1 3.12Å; L93-I99 WeakPolarHBondContact O-CG1 3.1Å; L93-L102 HydrophobicContact CD2-CD1 4.17Å
94	T	46.8	Very low	44.2	Very low	88 Å²	88	88.3 Å²	88.3	54%	0.54	49%	0.489	S	S	.	.	S	Bend	trans	-80.7	-11.6	172.6	55.3	0	0	0	0	113.8	E90 L91 P96	E90-T94 WeakPolarHBondContact O-CG2 3.47Å; E90-T94 PolarHBondContact O-N 3.09Å; E90-T94 PolarHBondContact O-OG1 2.95Å; L91-T94 PolarHBondContact O-OG1 3.38Å; T94-P96 WeakPolarHBondContact O-CD 3.3Å
95	N	39.4	Very low	43.9	Very low	72 Å²	72	90.2 Å²	90.2	39%	0.385	50%	0.496	S	S	.	.			trans	-68.5	118.8	-176.8	-172	-46.3	0	0	0	111.4	L93 S97 V98 I99	L93-N95 VanDerWaalsContact C-N 3.34Å; N95-S97 PolarHBondContact O-N 3Å; N95-S97 VanDerWaalsContact O-N 3.1Å; N95-S97 PolarHBondContact OD1-N 3.5Å; N95-S97 VanDerWaalsContact OD1-N 3.15Å; N95-V98 HydrophobicContact CB-CB 4.19Å; N95-V98 HydrophobicContact CB-CG2 3.93Å; N95-V98 PolarHBondContact O-N 2.66Å; N95-I99 PolarHBondContact O-N 3.45Å
96	P	40	Very low	43.5	Very low	95 Å²	95	90.8 Å²	90.8	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-57.1	-31.9	-174.2	-28.2	36.2	0	0	0	114.8	T94 T100	T94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-T100 WeakPolarHBondContact O-CB 3.45Å; P96-T100 PolarHBondContact O-N 3.46Å; P96-T100 PolarHBondContact O-OG1 2.97Å
97	S	43.7	Very low	43.2	Very low	78 Å²	78	94.1 Å²	94.1	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-70.4	-35.6	176.4	-62.6	0	0	0	0	112.2	N95 Q101	N95-S97 PolarHBondContact O-N 3Å; N95-S97 VanDerWaalsContact O-N 3.1Å; N95-S97 PolarHBondContact OD1-N 3.5Å; N95-S97 VanDerWaalsContact OD1-N 3.15Å; S97-Q101 WeakPolarHBondContact O-CB 3.49Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.21Å
98	V	48.7	Very low	42.4	Very low	21 Å²	21	93.1 Å²	93.1	13%	0.127	53%	0.528	C	S	.	.	H	α-helix	trans	-73.9	-41.1	176.3	-179.2	0	0	0	0	110.4	F92 N95 T100 Q101 L102	F92-V98 HydrophobicContact CD1-CG1 3.96Å; F92-V98 HydrophobicContact CD1-CG2 4.21Å; F92-V98 HydrophobicContact CE1-CG1 3.91Å; F92-V98 HydrophobicContact CE1-CG2 3.9Å; F92-V98 HydrophobicContact CZ-CG2 4.3Å; F92-V98 WeakPolarHBondContact O-CB 3.49Å; N95-V98 HydrophobicContact CB-CB 4.19Å; N95-V98 HydrophobicContact CB-CG2 3.93Å; N95-V98 PolarHBondContact O-N 2.66Å; V98-T100 VanDerWaalsContact C-N 3.3Å; V98-T100 PolarHBondContact O-N 3.11Å; V98-Q101 PolarHBondContact O-N 3.14Å; V98-L102 HydrophobicContact CG1-CD1 3.98Å; V98-L102 HydrophobicContact CG1-CG 4.41Å; V98-L102 WeakPolarHBondContact O-CB 3.49Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 2.77Å
99	I	44.1	Very low	41.8	Very low	85 Å²	85	99.6 Å²	99.6	44%	0.436	55%	0.547	S	S	.	.	H	α-helix	trans	-58.2	-44	171.9	-63.3	169.5	0	0	0	110.3	L93 N95 L102 A103	L93-I99 WeakPolarHBondContact O-CD1 3.12Å; L93-I99 WeakPolarHBondContact O-CG1 3.1Å; N95-I99 PolarHBondContact O-N 3.45Å; I99-L102 PolarHBondContact O-N 3.36Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 2.86Å
100	T	46.1	Very low	41.1	Very low	93 Å²	93	103.6 Å²	103.6	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-66.4	-37.9	178.1	-55.7	0	0	0	0	112.3	P96 V98 S104	P96-T100 WeakPolarHBondContact O-CB 3.45Å; P96-T100 PolarHBondContact O-N 3.46Å; P96-T100 PolarHBondContact O-OG1 2.97Å; V98-T100 VanDerWaalsContact C-N 3.3Å; V98-T100 PolarHBondContact O-N 3.11Å; T100-S104 WeakPolarHBondContact O-CB 3.37Å; T100-S104 PolarHBondContact O-N 3.22Å; T100-S104 PolarHBondContact O-OG 3.42Å
101	Q	43.8	Very low	40.2	Very low	124 Å²	124	104.1 Å²	104.1	58%	0.579	58%	0.581	S	S	*	*	H	α-helix	trans	-68.2	-44.9	174.2	-76.7	178.3	-8.1	0	0	112	S97 V98 A103 S104 M105	S97-Q101 WeakPolarHBondContact O-CB 3.49Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.21Å; V98-Q101 PolarHBondContact O-N 3.14Å; Q101-A103 PolarHBondContact O-N 2.92Å; Q101-S104 WeakPolarHBondContact CA-OG 3.36Å; Q101-S104 PolarHBondContact O-N 2.65Å; Q101-S104 PolarHBondContact O-OG 2.76Å; Q101-S104 VanDerWaalsContact O-OG 3.1Å; Q101-M105 WeakPolarHBondContact O-CB 3.39Å; Q101-M105 VanDerWaalsContact O-CG 3.22Å; Q101-M105 WeakPolarHBondContact O-CG 3.44Å; Q101-M105 PolarHBondContact O-N 2.76Å
102	L	41.7	Very low	39.7	Very low	73 Å²	73	107.9 Å²	107.9	38%	0.382	60%	0.595	S	S	.	*	H	α-helix	trans	-64.3	-40.7	175.6	-72.2	169.7	0	0	0	112.1	L93 V98 I99 S104 M105 N106	L93-L102 HydrophobicContact CD2-CD1 4.17Å; V98-L102 HydrophobicContact CG1-CD1 3.98Å; V98-L102 HydrophobicContact CG1-CG 4.41Å; V98-L102 WeakPolarHBondContact O-CB 3.49Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 2.77Å; I99-L102 PolarHBondContact O-N 3.36Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.44Å; L102-M105 PolarHBondContact O-N 3.44Å; L102-N106 VanDerWaalsContact O-CB 3.29Å; L102-N106 WeakPolarHBondContact O-CB 3.16Å; L102-N106 VanDerWaalsContact O-CG 3.29Å; L102-N106 PolarHBondContact O-N 3.15Å; L102-N106 PolarHBondContact O-ND2 3.2Å
103	A	42.1	Very low	39.1	Very low	58 Å²	58	107.7 Å²	107.7	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-65.3	-33.7	175.9	0	0	0	0	0	112.8	I99 Q101 V107	I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 2.86Å; Q101-A103 PolarHBondContact O-N 2.92Å; A103-V107 VanDerWaalsContact O-CG2 3.26Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å
104	S	42.9	Very low	38.6	Very low	81 Å²	81	110 Å²	110	57%	0.566	62%	0.622	S	S	*	*	H	α-helix	trans	-82.3	-21.8	174.9	50.2	0	0	0	0	113.9	T100 Q101 L102	T100-S104 WeakPolarHBondContact O-CB 3.37Å; T100-S104 PolarHBondContact O-N 3.22Å; T100-S104 PolarHBondContact O-OG 3.42Å; Q101-S104 WeakPolarHBondContact CA-OG 3.36Å; Q101-S104 PolarHBondContact O-N 2.65Å; Q101-S104 PolarHBondContact O-OG 2.76Å; Q101-S104 VanDerWaalsContact O-OG 3.1Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 3.44Å
105	M	39.2	Very low	37.7	Very low	136 Å²	136	110.5 Å²	110.5	67%	0.67	63%	0.63	S	S	*	*	H	α-helix	trans	-83.3	-31.8	173.8	-71.5	173.7	68.3	0	0	113.3	Q101 L102 V107	Q101-M105 WeakPolarHBondContact O-CB 3.39Å; Q101-M105 VanDerWaalsContact O-CG 3.22Å; Q101-M105 WeakPolarHBondContact O-CG 3.44Å; Q101-M105 PolarHBondContact O-N 2.76Å; L102-M105 PolarHBondContact O-N 3.44Å; M105-V107 PolarHBondContact O-N 3.35Å
106	N	40	Very low	37.3	Very low	124 Å²	124	114.9 Å²	114.9	66%	0.663	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	0.9	-174.4	-72.6	-18.6	0	0	0	115.2	L102	L102-N106 VanDerWaalsContact O-CB 3.29Å; L102-N106 WeakPolarHBondContact O-CB 3.16Å; L102-N106 VanDerWaalsContact O-CG 3.29Å; L102-N106 PolarHBondContact O-N 3.15Å; L102-N106 PolarHBondContact O-ND2 3.2Å
107	V	35.8	Very low	36.7	Very low	121 Å²	121	115.5 Å²	115.5	73%	0.733	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	13.3	-177.9	177.8	0	0	0	0	112.6	A103 M105	A103-V107 VanDerWaalsContact O-CG2 3.26Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; M105-V107 PolarHBondContact O-N 3.35Å
108	S	31.9	Very low	36.2	Very low	97 Å²	97	118.5 Å²	118.5	68%	0.678	67%	0.673	S	S	*	*	S	Bend	trans	-137.4	37.9	-171.1	-61.5	0	0	0	0	115.3
109	K	30.1	Very low	35.4	Very low	202 Å²	202	122 Å²	122	88%	0.878	70%	0.699	S	S	*	*			trans	-158.8	38	172.8	-127.1	170.6	-171.7	-178.2	0	119.1
110	I	29.8	Very low	34.8	Very low	159 Å²	159	124 Å²	124	82%	0.815	72%	0.715	S	S	*	*			trans	-135.5	77.9	172.1	-46.7	178	0	0	0	112.1
111	T	29.6	Very low	34.2	Very low	141 Å²	141	123.3 Å²	123.3	87%	0.865	72%	0.719	S	S	*	*			trans	177.2	111.4	143	33.2	0	0	0	0	108.9
112	E	31.7	Very low	33.7	Very low	195 Å²	195	126.5 Å²	126.5	91%	0.911	73%	0.734	S	S	*	*			trans	-148.4	156.7	156.3	-134.9	164.5	-138.7	0	0	108.9
113	T	30.8	Very low	33.3	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	76%	0.756	S	S	*	*			trans	-106.3	148.4	-147.6	48	0	0	0	0	115.3
114	V	31.8	Very low	33.2	Very low	142 Å²	142	133.9 Å²	133.9	86%	0.861	77%	0.766	S	S	*	*			trans	-116.2	116.9	158	177.9	0	0	0	0	108.4
115	S	28.2	Very low	33.2	Very low	100 Å²	100	135 Å²	135	70%	0.699	77%	0.771	S	S	*	*			trans	-93.1	129.8	-175.1	-53.5	0	0	0	0	111.6
116	I	31.9	Very low	33	Very low	163 Å²	163	133.6 Å²	133.6	84%	0.836	77%	0.774	S	S	*	*			trans	-131.7	125.3	159	-61.3	-176.6	0	0	0	108.4
117	S	27.3	Very low	32.9	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	78%	0.781	S	S	*	*			trans	-88.6	140.9	-170	-46.3	0	0	0	0	113
118	T	32.4	Very low	32.8	Very low	141 Å²	141	132 Å²	132	87%	0.865	78%	0.779	S	S	*	*			trans	-159.3	156.6	137.5	-0.7	0	0	0	0	113.2
119	S	31.8	Very low	33	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	78%	0.783	S	S	*	*			trans	-64.1	169.6	-179.8	57.2	0	0	0	0	113.7
120	T	32.1	Very low	33.3	Very low	125 Å²	125	128 Å²	128	77%	0.767	78%	0.776	S	S	*	*			cis	-166.5	156.6	34.5	-29	0	0	0	0	113.4
121	A	33.1	Very low	33.3	Very low	80 Å²	80	125 Å²	125	66%	0.661	77%	0.769	S	S	*	*			trans	81.8	133.4	144.1	0	0	0	0	0	123.6
122	Q	33	Very low	33.5	Very low	190 Å²	190	123 Å²	123	89%	0.888	76%	0.76	S	S	*	*			trans	82.5	77.2	144.3	-71.4	170.6	-69.4	0	0	123
123	Q	34.3	Very low	33.4	Very low	182 Å²	182	119.7 Å²	119.7	85%	0.85	75%	0.749	S	S	*	*			trans	-42.8	-176.9	132.4	-86.8	-174.1	-19.6	0	0	116.4
124	P	40.3	Very low	33.3	Very low	105 Å²	105	122.9 Å²	122.9	68%	0.682	75%	0.753	S	S	*	*			cis	-139.9	-137	-36.2	41.3	-20.1	0	0	0	110.2
125	P	42.3	Very low	33.1	Very low	105 Å²	105	122 Å²	122	68%	0.682	75%	0.748	S	S	*	*			cis	-139.3	167.8	-23.1	40.4	-21.6	0	0	0	119
126	S	34	Very low	32.9	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	75%	0.752	S	S	*	*			trans	39.7	130.1	136.9	72.5	0	0	0	0	125.6
127	S	38.1	Very low	32.8	Very low	114 Å²	114	123.5 Å²	123.5	80%	0.797	75%	0.754	S	S	*	*				173.2	143	123.8	55.9	0	0	0	0	110.2
128	S	35	Very low	33	Very low	98 Å²	98	123.6 Å²	123.6	69%	0.685	75%	0.752	S	S	*	*			cis	165.4	151.8	-21	46.6	0	0	0	0	107.2
129	S	35.9	Very low	32.7	Very low	111 Å²	111	124.5 Å²	124.5	78%	0.776	75%	0.751	S	S	*	*			trans	63	145.5	158.6	47.7	0	0	0	0	120.5
130	S	35.8	Very low	32.3	Very low	104 Å²	104	125 Å²	125	73%	0.727	75%	0.75	S	S	*	*			cis	-168.9	164.8	-9.7	47.5	0	0	0	0	112.9
131	S	31	Very low	32	Very low	95 Å²	95	124.5 Å²	124.5	66%	0.664	75%	0.747	S	S	*	*			trans	-16.1	164.3	151.9	62.2	0	0	0	0	119.1
132	S	32.7	Very low	31.6	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	75%	0.753	S	S	*	*			cis	-176.9	175.7	17.5	23.3	0	0	0	0	108.8
133	D	29.8	Very low	31.5	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	75%	0.751	S	S	*	*			cis	-179.3	-175.2	-33.3	-81.9	-37.2	0	0	0	107.4
134	F	28.2	Very low	31.4	Very low	190 Å²	190	124.4 Å²	124.4	83%	0.833	75%	0.747	S	S	*	*			trans	72.1	147.8	163.8	-68.2	-76.4	0	0	0	118.7
135	T	27.6	Very low	31	Very low	123 Å²	123	124.9 Å²	124.9	76%	0.755	75%	0.75	S	S	*	*			cis	-145.2	170.6	-1.1	-30.2	0	0	0	0	112
136	L	25	Very low	30.3	Very low	151 Å²	151	123.6 Å²	123.6	79%	0.791	74%	0.744	S	S	*	*			trans	-70.8	158.6	176.1	-53.8	121.8	0	0	0	114.8
137	T	28.3	Very low	30	Very low	144 Å²	144	124.8 Å²	124.8	88%	0.883	74%	0.742	S	S	*	*			trans	-170	133.3	130.3	11.3	0	0	0	0	112.1
138	P	31.9	Very low	29.6	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	75%	0.749	S	S	*	*			trans	-114.1	118.9	163.7	34	-22.9	0	0	0	111.3
139	L	25.6	Very low	29.2	Very low	161 Å²	161	128.4 Å²	128.4	84%	0.843	75%	0.752	S	S	*	*			trans	-157.1	132.6	167.3	-135.8	76	0	0	0	114
140	T	25.3	Very low	28.8	Very low	106 Å²	106	128 Å²	128	65%	0.65	75%	0.749	S	S	*	*			trans	16.4	145.3	148.2	59.3	0	0	0	0	124.2
141	T	25.1	Very low	28.6	Very low	115 Å²	115	131.5 Å²	131.5	71%	0.706	75%	0.751	S	S	*	*			trans	83.2	123.3	135.4	43.7	0	0	0	0	123.7
142	I	25	Very low	28.4	Very low	151 Å²	151	135.8 Å²	135.8	77%	0.774	76%	0.761	S	S	*	*			trans	70.2	108.4	137	-57.9	162.3	0	0	0	118.9
143	S	30.9	Very low	28	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	77%	0.766	S	S	*	*				-174.7	149.5	116.3	-80	0	0	0	0	112.5
144	K	31.7	Very low	27.9	Very low	177 Å²	177	138.2 Å²	138.2	77%	0.77	76%	0.764	S	S	*	*			trans	-124.2	152.7	174.3	-134.4	-171.6	-175.4	-169.7	0	108.8
145	P	31.8	Very low	28	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	76%	0.759	S	S	*	*				-125.8	155.3	107	1.7	20.6	0	0	0	110.8
146	S	28.5	Very low	27.9	Very low	78 Å²	78	139 Å²	139	55%	0.545	76%	0.763	S	S	.	*			cis	71.7	136.1	44.4	-69	0	0	0	0	113.8
147	D	26.5	Very low	28	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	77%	0.767	S	S	*	*			cis	-165.3	150.9	-16	-99.6	-48.1	0	0	0	107.4
148	L	30.1	Very low	28	Very low	179 Å²	179	137 Å²	137	94%	0.937	76%	0.755	S	S	*	*			trans	168.2	137.6	148.1	-96.5	152.8	0	0	0	111.7
149	S	25.5	Very low	27.7	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	76%	0.76	S	S	*	*			trans	-139.9	151.5	177.8	66.9	0	0	0	0	111.7
150	S	28.8	Very low	27.8	Very low	101 Å²	101	136 Å²	136	71%	0.706	76%	0.756	S	S	*	*			trans	-170.7	115.2	144.1	-89.8	0	0	0	0	114.9
151	K	30.8	Very low	27.8	Very low	178 Å²	178	138.4 Å²	138.4	77%	0.774	77%	0.765	S	S	*	*			trans	70.8	89.3	132.2	-59.8	177.8	-177.4	179.2	0	120.5
152	Q	26.5	Very low	28.1	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	77%	0.774	S	S	*	*				56.4	79.5	120.7	-64.5	-179.2	-74	0	0	119.3
153	I	24.9	Very low	28.5	Very low	156 Å²	156	144.4 Å²	144.4	80%	0.8	78%	0.778	S	S	*	*			trans	-134	158.7	137.1	-58.7	-176	0	0	0	106.1
154	D	27.8	Very low	28.6	Very low	119 Å²	119	148 Å²	148	64%	0.636	77%	0.773	S	S	*	*			trans	72.7	150.6	175.8	-73.7	4.2	0	0	0	118.2
155	K	30.3	Very low	28.7	Very low	168 Å²	168	144.1 Å²	144.1	73%	0.73	76%	0.759	S	S	*	*			cis	-159.2	168.8	-31.9	-119.5	-179.8	-161.5	88.3	0	107.8	D157	K155-D157 PolarHBondContact O-N 2.75Å
156	I	25.4	Very low	29.2	Very low	163 Å²	163	140.8 Å²	140.8	84%	0.836	74%	0.738	S	S	*	*			trans	-61.3	117.4	-178.6	-60.9	160.1	0	0	0	111.3
157	D	26.4	Very low	29.8	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	74%	0.736	S	S	*	*			trans	-72.1	132.1	170.6	-85.4	-47.6	0	0	0	111.5	K155	K155-D157 PolarHBondContact O-N 2.75Å
158	S	28.5	Very low	30.5	Very low	90 Å²	90	139.8 Å²	139.8	63%	0.629	73%	0.73	S	S	*	*			trans	-116.8	129	-175.1	-174.5	0	0	0	0	111.7	T160	S158-T160 PolarHBondContact O-N 2.86Å
159	P	27.4	Very low	31.3	Very low	128 Å²	128	134.6 Å²	134.6	83%	0.831	70%	0.703	S	S	*	*			trans	-78.9	79	-179.6	33	-35.8	0	0	0	111.8	N161	P159-N161 PolarHBondContact O-N 3.01Å
160	T	26.9	Very low	32.1	Very low	123 Å²	123	131.8 Å²	131.8	76%	0.755	68%	0.677	S	S	*	*			trans	-74.4	105.8	174.8	51.9	0	0	0	0	111.6	S158	S158-T160 PolarHBondContact O-N 2.86Å
161	N	25.8	Very low	32.8	Very low	156 Å²	156	127.7 Å²	127.7	83%	0.834	65%	0.647	S	S	*	*			trans	-145.7	23.1	174.7	-123.5	-22.4	0	0	0	116.3	P159	P159-N161 PolarHBondContact O-N 3.01Å
162	H	31.4	Very low	33.6	Very low	195 Å²	195	125.9 Å²	125.9	90%	0.903	64%	0.641	S	S	*	*			trans	-92.4	95.6	163.8	-73.2	-72.6	0	0	0	110.1	R164	H162-R164 PolarHBondContact O-N 3.43Å
163	K	32.2	Very low	34.4	Very low	197 Å²	197	121.5 Å²	121.5	86%	0.857	62%	0.62	S	S	*	*			trans	-68.4	112.6	172.8	-164.6	-177.7	-177.2	-167.2	0	108.9	M165	K163-M165 PolarHBondContact O-N 3.3Å
164	R	32.9	Very low	35	Very low	196 Å²	196	116.2 Å²	116.2	74%	0.74	59%	0.591	S	S	*	*			trans	-61	108.3	177.7	-169.2	-178.2	-166.3	-177.6	4.6	109.1	H162 S166	H162-R164 PolarHBondContact O-N 3.43Å; R164-S166 PolarHBondContact O-N 3.47Å
165	M	34.7	Very low	35.5	Very low	96 Å²	96	115.4 Å²	115.4	47%	0.473	59%	0.587	S	S	.	*			trans	-63.8	124.6	177.1	-163.9	165.9	79	0	0	108.9	K163 D169 F170	K163-M165 PolarHBondContact O-N 3.3Å; M165-D169 HydrophobicContact CG-CB 3.53Å; M165-F170 HydrophobicContact CE-CB 4.12Å; M165-F170 HydrophobicContact CE-CD2 3.98Å
166	S	41.2	Very low	35.7	Very low	46 Å²	46	111 Å²	111	32%	0.322	57%	0.571	S	S	.	*			trans	-78.6	165.4	177.8	69.6	0	0	0	0	111.3	R164 N168 D169 F170	R164-S166 PolarHBondContact O-N 3.47Å; S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.13Å; S166-D169 VanDerWaalsContact CB-OD2 3.27Å; S166-D169 WeakPolarHBondContact CB-OD2 3.11Å; S166-D169 PolarHBondContact N-OD2 3.11Å; S166-D169 PolarHBondContact O-N 3.24Å; S166-D169 VanDerWaalsContact O-N 3.17Å; S166-D169 PolarHBondContact OG-N 3.44Å; S166-D169 PolarHBondContact OG-OD2 2.86Å; S166-F170 PolarHBondContact O-N 3.2Å
167	T	41.4	Very low	36.2	Very low	80 Å²	80	107 Å²	107	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-56.4	-37.8	169.3	43.9	0	0	0	0	111.5	F170 F171 I192	T167-F170 PolarHBondContact O-N 3.03Å; T167-F171 WeakPolarHBondContact O-CD2 3.47Å; T167-F171 PolarHBondContact O-N 2.95Å; T167-I192 HydrophobicContact CG2-CD1 4.42Å
168	N	42.2	Very low	36.7	Very low	107 Å²	107	104 Å²	104	57%	0.572	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-41.9	175.3	-67.5	-20.2	0	0	0	112.1	S166 F170 F171 H172	S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.13Å; N168-F170 VanDerWaalsContact C-N 3.33Å; N168-F170 PolarHBondContact O-N 3.02Å; N168-F171 PolarHBondContact O-N 3.23Å; N168-H172 WeakPolarHBondContact O-CB 3.35Å; N168-H172 PolarHBondContact O-N 3.35Å
169	D	45.8	Very low	37.2	Very low	71 Å²	71	106.3 Å²	106.3	38%	0.38	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-40.9	175	-60.5	-62.1	0	0	0	111.2	M165 S166 H172 E173	M165-D169 HydrophobicContact CG-CB 3.53Å; S166-D169 VanDerWaalsContact CB-OD2 3.27Å; S166-D169 WeakPolarHBondContact CB-OD2 3.11Å; S166-D169 PolarHBondContact N-OD2 3.11Å; S166-D169 PolarHBondContact O-N 3.24Å; S166-D169 VanDerWaalsContact O-N 3.17Å; S166-D169 PolarHBondContact OG-N 3.44Å; S166-D169 PolarHBondContact OG-OD2 2.86Å; D169-H172 PolarHBondContact O-N 3.04Å; D169-E173 PolarHBondContact O-N 3.13Å
170	F	42.5	Very low	38	Very low	49 Å²	49	101.1 Å²	101.1	22%	0.215	51%	0.51	C	S	.	.	H	α-helix	trans	-60.4	-52.4	175.8	175.4	-95.5	0	0	0	111.7	M165 S166 T167 N168 H172 E173 F174	M165-F170 HydrophobicContact CE-CB 4.12Å; M165-F170 HydrophobicContact CE-CD2 3.98Å; S166-F170 PolarHBondContact O-N 3.2Å; T167-F170 PolarHBondContact O-N 3.03Å; N168-F170 VanDerWaalsContact C-N 3.33Å; N168-F170 PolarHBondContact O-N 3.02Å; F170-H172 VanDerWaalsContact C-N 3.28Å; F170-H172 PolarHBondContact O-N 2.83Å; F170-E173 PolarHBondContact O-N 2.85Å; F170-F174 HydrophobicContact CD1-CD2 4.42Å; F170-F174 HydrophobicContact CD2-CE2 4.49Å; F170-F174 HydrophobicContact CE1-CD2 4.07Å; F170-F174 HydrophobicContact CE1-CE2 4.03Å; F170-F174 HydrophobicContact CE2-CD2 4.31Å; F170-F174 AromaticContact CE2-CE2 3.79Å; F170-F174 HydrophobicContact CE2-CE2 3.79Å; F170-F174 HydrophobicContact CZ-CD2 4.02Å; F170-F174 AromaticContact CZ-CE2 3.52Å; F170-F174 HydrophobicContact CZ-CE2 3.52Å; F170-F174 HydrophobicContact CZ-CZ 4.38Å; F170-F174 PolarHBondContact O-N 3.32Å
171	F	44.3	Very low	38.8	Very low	16 Å²	16	98.1 Å²	98.1	7%	0.07	49%	0.488	C	S	.	.	H	α-helix	trans	-68.9	-25.2	178.4	-75.1	-63	0	0	0	113.1	T167 N168 F174 L184 F188	T167-F171 WeakPolarHBondContact O-CD2 3.47Å; T167-F171 PolarHBondContact O-N 2.95Å; N168-F171 PolarHBondContact O-N 3.23Å; F171-F174 PolarHBondContact O-N 3.4Å; F171-L184 HydrophobicContact CE1-CB 4.35Å; F171-F188 HydrophobicContact CE2-CB 4.4Å; F171-F188 HydrophobicContact CZ-CB 3.9Å; F171-F188 HydrophobicContact CZ-CD1 4.45Å; F171-F188 HydrophobicContact CZ-CD2 4.14Å; F171-F188 AromaticContact CZ-CG 3.92Å; F171-F188 HydrophobicContact CZ-CG 3.92Å
172	H	48	Very low	40.1	Very low	139 Å²	139	93.6 Å²	93.6	64%	0.644	47%	0.468	S	S	*	.	H	α-helix	trans	-75.6	-22.9	173.5	-168.4	-61.1	0	0	0	113.3	N168 D169 F170 N175	N168-H172 WeakPolarHBondContact O-CB 3.35Å; N168-H172 PolarHBondContact O-N 3.35Å; D169-H172 PolarHBondContact O-N 3.04Å; F170-H172 VanDerWaalsContact C-N 3.28Å; F170-H172 PolarHBondContact O-N 2.83Å; H172-N175 WeakPolarHBondContact O-CB 3.26Å
173	E	42.5	Very low	40.9	Very low	94 Å²	94	88 Å²	88	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-72.6	-30.3	163.3	-72.6	-166.9	136	0	0	111.7	D169 F170 N175 H234 K237	D169-E173 PolarHBondContact O-N 3.13Å; F170-E173 PolarHBondContact O-N 2.85Å; E173-N175 PolarHBondContact O-N 3.16Å; E173-H234 IonicContact OE2-CE1 3.69Å; E173-H234 PolarHBondContact OE2-CE1 3.24Å; E173-H234 VanDerWaalsContact OE2-CE1 3.24Å; E173-H234 IonicContact OE2-ND1 3.6Å; E173-K237 IonicContact OE1-NZ 2.7Å; E173-K237 PolarHBondContact OE1-NZ 3.32Å; E173-K237 IonicContact OE2-NZ 2.75Å; E173-K237 PolarHBondContact OE2-NZ 3.17Å
174	F	38	Very low	41.9	Very low	45 Å²	45	79.3 Å²	79.3	20%	0.197	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	19.8	-178.2	-96.4	-84.9	0	0	0	115.3	F170 F171 I176 L231 H234	F170-F174 HydrophobicContact CD1-CD2 4.42Å; F170-F174 HydrophobicContact CD2-CE2 4.49Å; F170-F174 HydrophobicContact CE1-CD2 4.07Å; F170-F174 HydrophobicContact CE1-CE2 4.03Å; F170-F174 HydrophobicContact CE2-CD2 4.31Å; F170-F174 AromaticContact CE2-CE2 3.79Å; F170-F174 HydrophobicContact CE2-CE2 3.79Å; F170-F174 HydrophobicContact CZ-CD2 4.02Å; F170-F174 AromaticContact CZ-CE2 3.52Å; F170-F174 HydrophobicContact CZ-CE2 3.52Å; F170-F174 HydrophobicContact CZ-CZ 4.38Å; F170-F174 PolarHBondContact O-N 3.32Å; F171-F174 PolarHBondContact O-N 3.4Å; F174-I176 VanDerWaalsContact C-N 3.31Å; F174-I176 PolarHBondContact O-N 3.38Å; F174-L231 HydrophobicContact CE1-CB 4.43Å; F174-H234 HydrophobicContact CE2-CB 3.82Å; F174-H234 AromaticContact CE2-CG 3.65Å; F174-H234 AromaticContact CE2-ND1 3.61Å; F174-H234 HydrophobicContact CZ-CB 3.72Å; F174-H234 AromaticContact CZ-CG 3.84Å
175	N	37.6	Very low	42.9	Very low	102 Å²	102	72 Å²	72	55%	0.545	38%	0.381	S	S	.	.			trans	-77.2	60.9	-159.5	-161.6	-1.2	0	0	0	115.6	H172 E173	H172-N175 WeakPolarHBondContact O-CB 3.26Å; E173-N175 PolarHBondContact O-N 3.16Å
176	I	35.1	Very low	43.7	Very low	77 Å²	77	69.1 Å²	69.1	40%	0.395	37%	0.366	S	S	.	.	S	Bend	trans	-136.5	122.8	179.9	-66.8	177.5	0	0	0	109.5	F174 K230	F174-I176 VanDerWaalsContact C-N 3.31Å; F174-I176 PolarHBondContact O-N 3.38Å; I176-K230 HydrophobicContact CD1-CD 3.71Å; I176-K230 VanDerWaalsContact CD1-CE 3.47Å
177	L	35	Very low	44.2	Very low	79 Å²	79	67.1 Å²	67.1	41%	0.414	35%	0.352	S	S	.	.			trans	63.5	103.6	-165.4	-76.7	78.1	0	0	0	114.3	N179 L180 H181 I227	L177-N179 PolarHBondContact O-N 3.24Å; L177-L180 HydrophobicContact CB-CB 4.01Å; L177-L180 PolarHBondContact O-N 2.99Å; L177-L180 VanDerWaalsContact O-N 3.08Å; L177-H181 PolarHBondContact O-N 3.23Å; L177-I227 HydrophobicContact CD1-CD1 4.45Å
178	P	38.2	Very low	44.6	Very low	98 Å²	98	65.4 Å²	65.4	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-54.3	-36.1	174.9	-27.7	35.7	0	0	0	114	S182	P178-S182 WeakPolarHBondContact O-CB 3.28Å; P178-S182 PolarHBondContact O-N 3.43Å
179	N	38.2	Very low	44.9	Very low	138 Å²	138	63.4 Å²	63.4	74%	0.738	33%	0.325	S	S	*	.	H	α-helix	trans	-67.8	-38.2	179.8	-61.4	6.1	0	0	0	111.9	L177 S182 L183	L177-N179 PolarHBondContact O-N 3.24Å; N179-S182 PolarHBondContact O-N 2.95Å; N179-L183 WeakPolarHBondContact O-CB 3.48Å; N179-L183 PolarHBondContact O-N 2.93Å
180	L	44.2	Very low	45	Very low	19 Å²	19	63.1 Å²	63.1	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-78.7	-36.3	179.4	-159.7	111.8	0	0	0	111.3	L177 S182 L183 L184 I217 Y224 I227	L177-L180 HydrophobicContact CB-CB 4.01Å; L177-L180 PolarHBondContact O-N 2.99Å; L177-L180 VanDerWaalsContact O-N 3.08Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 3.38Å; L180-L183 PolarHBondContact O-N 3.39Å; L180-L184 HydrophobicContact CD2-CD1 3.67Å; L180-L184 HydrophobicContact CD2-CG 4.41Å; L180-L184 HydrophobicContact CG-CD1 4.28Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 3.34Å; L180-I217 HydrophobicContact CD1-CD1 4.31Å; L180-I217 HydrophobicContact CD1-CG1 4.5Å; L180-Y224 HydrophobicContact CD1-CD1 4.22Å; L180-Y224 HydrophobicContact CD1-CE1 3.87Å; L180-I227 HydrophobicContact CD1-CD1 4.02Å; L180-I227 HydrophobicContact CD2-CB 4.48Å; L180-I227 HydrophobicContact CD2-CD1 3.81Å; L180-I227 HydrophobicContact CD2-CG1 4.02Å; L180-I227 HydrophobicContact CD2-CG2 3.66Å; L180-I227 HydrophobicContact CG-CD1 4.38Å
181	H	44.8	Very low	45.1	Very low	61 Å²	61	62.1 Å²	62.1	28%	0.282	32%	0.32	S	S	.	.	H	α-helix	trans	-55.9	-45.5	165.6	169.9	-86.9	0	0	0	110.9	L177 K185	L177-H181 PolarHBondContact O-N 3.23Å; H181-K185 WeakPolarHBondContact O-CB 3.15Å; H181-K185 PolarHBondContact O-N 2.83Å
182	S	51.8	Low	45	Very low	61 Å²	61	65.1 Å²	65.1	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-46.8	176.4	-163.2	0	0	0	0	112.1	P178 N179 L180 K185 Q186	P178-S182 WeakPolarHBondContact O-CB 3.28Å; P178-S182 PolarHBondContact O-N 3.43Å; N179-S182 PolarHBondContact O-N 2.95Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 3.38Å; S182-K185 PolarHBondContact O-N 2.78Å; S182-Q186 WeakPolarHBondContact O-CB 3.4Å; S182-Q186 PolarHBondContact O-N 3.04Å
183	L	48.8	Very low	44.8	Very low	77 Å²	77	62.1 Å²	62.1	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-47.2	-177.7	-161.8	77.6	0	0	0	111.8	N179 L180 Q186 S187 T213	N179-L183 WeakPolarHBondContact O-CB 3.48Å; N179-L183 PolarHBondContact O-N 2.93Å; L180-L183 PolarHBondContact O-N 3.39Å; L183-Q186 PolarHBondContact O-N 3.39Å; L183-S187 PolarHBondContact O-N 2.74Å; L183-S187 PolarHBondContact O-OG 3.32Å; L183-T213 HydrophobicContact CD2-CG2 4.01Å
184	L	53	Low	44.5	Very low	15 Å²	15	63.6 Å²	63.6	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-67.6	-43	175.8	-69.4	174.4	0	0	0	111.5	F171 L180 Q186 S187 F188 T213 I217	F171-L184 HydrophobicContact CE1-CB 4.35Å; L180-L184 HydrophobicContact CD2-CD1 3.67Å; L180-L184 HydrophobicContact CD2-CG 4.41Å; L180-L184 HydrophobicContact CG-CD1 4.28Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 3.34Å; L184-Q186 PolarHBondContact O-N 2.66Å; L184-S187 PolarHBondContact O-N 2.86Å; L184-S187 PolarHBondContact O-OG 3.06Å; L184-S187 VanDerWaalsContact O-OG 3.11Å; L184-F188 WeakPolarHBondContact O-CB 3.43Å; L184-F188 VanDerWaalsContact O-CD2 3.27Å; L184-F188 WeakPolarHBondContact O-CD2 3.33Å; L184-F188 PolarHBondContact O-N 3.03Å; L184-T213 HydrophobicContact CD2-CG2 3.88Å; L184-I217 HydrophobicContact CD2-CD1 4.45Å
185	K	53.8	Low	44.4	Very low	41 Å²	41	68 Å²	68	18%	0.178	36%	0.363	C	S	.	.	H	α-helix	trans	-58.6	-39.4	174.3	-177.5	176.7	-173.6	-79	0	110.9	H181 S182 E189	H181-K185 WeakPolarHBondContact O-CB 3.15Å; H181-K185 PolarHBondContact O-N 2.83Å; S182-K185 PolarHBondContact O-N 2.78Å; K185-E189 WeakPolarHBondContact CE-OE1 3.37Å; K185-E189 HydrophobicContact CG-CG 4.32Å; K185-E189 IonicContact NZ-OE1 2.66Å; K185-E189 PolarHBondContact NZ-OE1 3.34Å; K185-E189 IonicContact NZ-OE2 2.66Å; K185-E189 PolarHBondContact NZ-OE2 2.83Å; K185-E189 VanDerWaalsContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CB 3.41Å; K185-E189 WeakPolarHBondContact O-CG 3.3Å; K185-E189 PolarHBondContact O-N 3.41Å
186	Q	52	Low	44.1	Very low	36 Å²	36	71.8 Å²	71.8	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-71.1	-40.7	-179.6	-170.6	170.1	-6.6	0	0	112.1	S182 L183 L184 L190 F343	S182-Q186 WeakPolarHBondContact O-CB 3.4Å; S182-Q186 PolarHBondContact O-N 3.04Å; L183-Q186 PolarHBondContact O-N 3.39Å; L184-Q186 PolarHBondContact O-N 2.66Å; Q186-L190 WeakPolarHBondContact O-CB 3.47Å; Q186-L190 VanDerWaalsContact O-CG 3.23Å; Q186-L190 WeakPolarHBondContact O-CG 3.06Å; Q186-L190 PolarHBondContact O-N 3.46Å; Q186-F343 HydrophobicContact CG-CZ 4Å; Q186-F343 VanDerWaalsContact NE2-CE1 3.34Å
187	S	50.8	Low	43.7	Very low	4 Å²	4	73.6 Å²	73.6	3%	0.028	39%	0.394	C	S	.	.	H	α-helix	trans	-68.5	-40.5	173.5	68.2	0	0	0	0	112.3	L183 L184 L190 I191	L183-S187 PolarHBondContact O-N 2.74Å; L183-S187 PolarHBondContact O-OG 3.32Å; L184-S187 PolarHBondContact O-N 2.86Å; L184-S187 PolarHBondContact O-OG 3.06Å; L184-S187 VanDerWaalsContact O-OG 3.11Å; S187-L190 PolarHBondContact O-N 2.94Å; S187-I191 WeakPolarHBondContact O-CG1 3.3Å; S187-I191 PolarHBondContact O-N 3.07Å; S187-I191 VanDerWaalsContact O-N 3.13Å
188	F	49.4	Very low	43.3	Very low	44 Å²	44	76.6 Å²	76.6	19%	0.193	41%	0.411	C	S	.	.	H	α-helix	trans	-70.3	-38.1	175.9	-87.1	-98.2	0	0	0	112.7	F171 L184 I191 I192 L210 L293	F171-F188 HydrophobicContact CE2-CB 4.4Å; F171-F188 HydrophobicContact CZ-CB 3.9Å; F171-F188 HydrophobicContact CZ-CD1 4.45Å; F171-F188 HydrophobicContact CZ-CD2 4.14Å; F171-F188 AromaticContact CZ-CG 3.92Å; F171-F188 HydrophobicContact CZ-CG 3.92Å; L184-F188 WeakPolarHBondContact O-CB 3.43Å; L184-F188 VanDerWaalsContact O-CD2 3.27Å; L184-F188 WeakPolarHBondContact O-CD2 3.33Å; L184-F188 PolarHBondContact O-N 3.03Å; F188-I191 PolarHBondContact O-N 3.31Å; F188-I192 WeakPolarHBondContact O-CB 3.42Å; F188-I192 WeakPolarHBondContact O-CD1 3.38Å; F188-I192 WeakPolarHBondContact O-CG1 3.4Å; F188-I192 PolarHBondContact O-N 3.09Å; F188-L210 HydrophobicContact CD2-CD1 4.29Å; F188-L210 HydrophobicContact CE2-CD1 3.77Å; F188-L210 HydrophobicContact CZ-CD1 4.36Å; F188-L293 HydrophobicContact CE1-CD2 3.69Å; F188-L293 HydrophobicContact CZ-CD2 4.3Å
189	E	49.5	Very low	42.9	Very low	65 Å²	65	79.6 Å²	79.6	30%	0.304	42%	0.419	S	S	.	.	H	α-helix	trans	-69.3	-33	173.1	-80.1	-174.7	170.1	0	0	111.7	K185 I192 C193	K185-E189 WeakPolarHBondContact CE-OE1 3.37Å; K185-E189 HydrophobicContact CG-CG 4.32Å; K185-E189 IonicContact NZ-OE1 2.66Å; K185-E189 PolarHBondContact NZ-OE1 3.34Å; K185-E189 IonicContact NZ-OE2 2.66Å; K185-E189 PolarHBondContact NZ-OE2 2.83Å; K185-E189 VanDerWaalsContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CB 3.41Å; K185-E189 WeakPolarHBondContact O-CG 3.3Å; K185-E189 PolarHBondContact O-N 3.41Å; E189-I192 CarbonylContact O-C 3.49Å; E189-I192 PolarHBondContact O-N 3.23Å; E189-C193 WeakPolarHBondContact O-CA 3.23Å; E189-C193 WeakPolarHBondContact O-CB 3.11Å; E189-C193 PolarHBondContact O-N 3.27Å; E189-C193 PolarHBondContact O-SG 3.37Å
190	L	48.2	Very low	42.5	Very low	66 Å²	66	81.4 Å²	81.4	35%	0.346	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-47.3	169.8	-76.2	166.4	0	0	0	111.9	Q186 S187 I192 C193 E194 L209	Q186-L190 WeakPolarHBondContact O-CB 3.47Å; Q186-L190 VanDerWaalsContact O-CG 3.23Å; Q186-L190 WeakPolarHBondContact O-CG 3.06Å; Q186-L190 PolarHBondContact O-N 3.46Å; S187-L190 PolarHBondContact O-N 2.94Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 2.86Å; L190-C193 PolarHBondContact O-N 3.42Å; L190-C193 VanDerWaalsContact O-N 3.12Å; L190-E194 PolarHBondContact O-N 3.41Å; L190-L209 HydrophobicContact CD1-CD2 3.76Å
191	I	44.4	Very low	41.9	Very low	27 Å²	27	87.4 Å²	87.4	14%	0.138	46%	0.455	C	S	.	.	H	α-helix	trans	-60.6	-36	174.4	-69.4	167.7	0	0	0	111.8	S187 F188 L210	S187-I191 WeakPolarHBondContact O-CG1 3.3Å; S187-I191 PolarHBondContact O-N 3.07Å; S187-I191 VanDerWaalsContact O-N 3.13Å; F188-I191 PolarHBondContact O-N 3.31Å; I191-L210 HydrophobicContact CD1-CB 3.8Å; I191-L210 HydrophobicContact CD1-CD2 3.59Å; I191-L210 HydrophobicContact CD1-CG 4.23Å
192	I	42.4	Very low	41.1	Very low	80 Å²	80	92.2 Å²	92.2	41%	0.41	48%	0.484	S	S	.	.	H	α-helix	trans	-79.8	-23.3	177.4	-66.8	164.7	0	0	0	111.7	T167 F188 E189 L190 N195	T167-I192 HydrophobicContact CG2-CD1 4.42Å; F188-I192 WeakPolarHBondContact O-CB 3.42Å; F188-I192 WeakPolarHBondContact O-CD1 3.38Å; F188-I192 WeakPolarHBondContact O-CG1 3.4Å; F188-I192 PolarHBondContact O-N 3.09Å; E189-I192 CarbonylContact O-C 3.49Å; E189-I192 PolarHBondContact O-N 3.23Å; L190-I192 VanDerWaalsContact C-N 3.28Å; L190-I192 PolarHBondContact O-N 2.86Å; I192-N195 WeakPolarHBondContact O-CB 3.28Å; I192-N195 PolarHBondContact O-ND2 3.28Å
193	C	42.3	Very low	40.6	Very low	75 Å²	75	97.9 Å²	97.9	51%	0.507	50%	0.5	S	S	.	.	H	α-helix	trans	-88.9	-6	-177.8	-78.7	0	0	0	0	114.7	E189 L190 N195 F196	E189-C193 WeakPolarHBondContact O-CA 3.23Å; E189-C193 WeakPolarHBondContact O-CB 3.11Å; E189-C193 PolarHBondContact O-N 3.27Å; E189-C193 PolarHBondContact O-SG 3.37Å; L190-C193 PolarHBondContact O-N 3.42Å; L190-C193 VanDerWaalsContact O-N 3.12Å; C193-N195 PolarHBondContact O-N 2.9Å; C193-F196 PolarHBondContact O-N 3.23Å
194	E	37.7	Very low	40	Very low	126 Å²	126	103.7 Å²	103.7	59%	0.589	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.3	162.5	-71.1	-173.8	-168.6	0	0	112.9	L190 F196 S206	L190-E194 PolarHBondContact O-N 3.41Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-F196 VanDerWaalsContact O-N 3.07Å; E194-S206 WeakPolarHBondContact OE1-CB 3.36Å; E194-S206 PolarHBondContact OE1-OG 3.44Å
195	N	35.5	Very low	39.6	Very low	138 Å²	138	105.3 Å²	105.3	74%	0.738	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-2.8	163	-78.2	-73.7	0	0	0	115.1	I192 C193	I192-N195 WeakPolarHBondContact O-CB 3.28Å; I192-N195 PolarHBondContact O-ND2 3.28Å; C193-N195 PolarHBondContact O-N 2.9Å
196	F	30.2	Very low	39.1	Very low	181 Å²	181	104.1 Å²	104.1	79%	0.794	53%	0.527	S	S	*	.	S	Bend	trans	-117.1	106.6	169	-84.6	-83.8	0	0	0	112.5	C193 E194 N198	C193-F196 PolarHBondContact O-N 3.23Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-F196 VanDerWaalsContact O-N 3.07Å; F196-N198 PolarHBondContact O-N 3.03Å
197	S	28.7	Very low	38.8	Very low	115 Å²	115	106.9 Å²	106.9	80%	0.804	54%	0.54	S	S	*	.			trans	-64.1	93.3	173.4	-45.9	0	0	0	0	112
198	N	26.2	Very low	38.7	Very low	142 Å²	142	112.8 Å²	112.8	76%	0.759	57%	0.567	S	S	*	*			trans	-176.8	60.1	153.1	-95.2	-20.6	0	0	0	114	F196	F196-N198 PolarHBondContact O-N 3.03Å
199	I	29.1	Very low	38.7	Very low	160 Å²	160	113.6 Å²	113.6	82%	0.821	57%	0.573	S	S	*	*			trans	-121.6	75.7	153.8	-53.9	-176.5	0	0	0	108.7	N201	I199-N201 PolarHBondContact O-N 2.91Å; I199-N201 VanDerWaalsContact O-N 3.15Å
200	Q	29.4	Very low	38.7	Very low	176 Å²	176	111 Å²	111	82%	0.822	56%	0.561	S	S	*	*			trans	-73.4	93.6	160.4	-69.7	-174.2	-68.2	0	0	108.5
201	N	32	Very low	38.9	Very low	145 Å²	145	110.6 Å²	110.6	78%	0.775	57%	0.567	S	S	*	*	S	Bend	trans	-178.3	116.7	152.6	-92.6	-40.3	0	0	0	109.3	I199 K203	I199-N201 PolarHBondContact O-N 2.91Å; I199-N201 VanDerWaalsContact O-N 3.15Å; N201-K203 PolarHBondContact O-N 3.17Å; N201-K203 VanDerWaalsContact O-N 3.15Å
202	D	28.1	Very low	39.1	Very low	163 Å²	163	113 Å²	113	87%	0.872	58%	0.577	S	S	*	*			trans	-66.2	108.3	-175.4	-45.3	-82.9	0	0	0	111.8
203	K	41.1	Very low	39.7	Very low	179 Å²	179	109.8 Å²	109.8	78%	0.778	56%	0.561	S	S	*	*			trans	-164.9	-16	169.2	-121.1	146.4	-167	168.6	0	121	N201	N201-K203 PolarHBondContact O-N 3.17Å; N201-K203 VanDerWaalsContact O-N 3.15Å
204	Y	37.1	Very low	40.3	Very low	199 Å²	199	107.5 Å²	107.5	78%	0.78	54%	0.544	S	S	*	.			trans	-144.3	118.5	179.9	-67.2	-74.6	0	0	0	110.6
205	C	42.9	Very low	41.1	Very low	50 Å²	50	105 Å²	105	34%	0.338	53%	0.532	S	S	.	.			trans	-83.9	133.5	168.2	-167.6	0	0	0	0	109.6	E207 E208 L209	C205-E207 PolarHBondContact O-N 2.71Å; C205-E208 HydrophobicContact CB-CB 4.18Å; C205-E208 HydrophobicContact CB-CG 3.78Å; C205-E208 WeakPolarHBondContact CB-OE2 3.44Å; C205-E208 PolarHBondContact N-OE2 3.43Å; C205-E208 VanDerWaalsContact N-OE2 3.1Å; C205-E208 PolarHBondContact O-N 2.89Å; C205-L209 PolarHBondContact O-N 3.37Å
206	S	43.4	Very low	42	Very low	15 Å²	15	101 Å²	101	11%	0.105	51%	0.513	C	S	.	.	H	α-helix	trans	-64.4	-28.3	176.9	62.3	0	0	0	0	112.1	E194 L209 L210	E194-S206 WeakPolarHBondContact OE1-CB 3.36Å; E194-S206 PolarHBondContact OE1-OG 3.44Å; S206-L209 PolarHBondContact O-N 3.1Å; S206-L210 PolarHBondContact O-N 3.31Å; S206-L210 VanDerWaalsContact O-N 3.15Å
207	E	45.7	Very low	43.1	Very low	95 Å²	95	92.8 Å²	92.8	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-44.5	173.1	-51.6	-175.5	173.2	0	0	112.1	C205 L209 L210 A211 F292	C205-E207 PolarHBondContact O-N 2.71Å; E207-L209 PolarHBondContact O-N 3.02Å; E207-L210 PolarHBondContact O-N 3.02Å; E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 2.88Å; E207-F292 HydrophobicContact CB-CE1 4.41Å; E207-F292 HydrophobicContact CB-CZ 3.79Å; E207-F292 HydrophobicContact CG-CE1 3.82Å; E207-F292 HydrophobicContact CG-CE2 4.07Å; E207-F292 HydrophobicContact CG-CZ 3.38Å; E207-F292 WeakPolarHBondContact OE1-CE2 3.46Å; E207-F292 WeakPolarHBondContact OE2-CE2 3.49Å
208	E	49.5	Very low	44.3	Very low	127 Å²	127	88.4 Å²	88.4	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-62.2	-41.7	176.1	-70.3	170.2	140.1	0	0	111.4	C205 L210 A211 F212	C205-E208 HydrophobicContact CB-CB 4.18Å; C205-E208 HydrophobicContact CB-CG 3.78Å; C205-E208 WeakPolarHBondContact CB-OE2 3.44Å; C205-E208 PolarHBondContact N-OE2 3.43Å; C205-E208 VanDerWaalsContact N-OE2 3.1Å; C205-E208 PolarHBondContact O-N 2.89Å; E208-L210 PolarHBondContact O-N 2.93Å; E208-A211 PolarHBondContact O-N 3.33Å; E208-F212 VanDerWaalsContact O-CB 3.27Å; E208-F212 WeakPolarHBondContact O-CB 3.35Å; E208-F212 PolarHBondContact O-N 3.37Å
209	L	48.7	Very low	45.5	Very low	61 Å²	61	86.9 Å²	86.9	32%	0.319	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-39.6	179.2	-174.5	66.7	0	0	0	111.7	L190 C205 S206 E207 T213	L190-L209 HydrophobicContact CD1-CD2 3.76Å; C205-L209 PolarHBondContact O-N 3.37Å; S206-L209 PolarHBondContact O-N 3.1Å; E207-L209 PolarHBondContact O-N 3.02Å; L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.45Å; L209-T213 PolarHBondContact O-N 3.22Å; L209-T213 PolarHBondContact O-OG1 3.39Å
210	L	50.9	Low	46.6	Very low	11 Å²	11	82.6 Å²	82.6	6%	0.058	42%	0.416	C	S	.	.	H	α-helix	trans	-69.1	-45.4	173.9	177.7	64.2	0	0	0	111.3	F188 I191 S206 E207 E208 F212 T213 L214	F188-L210 HydrophobicContact CD2-CD1 4.29Å; F188-L210 HydrophobicContact CE2-CD1 3.77Å; F188-L210 HydrophobicContact CZ-CD1 4.36Å; I191-L210 HydrophobicContact CD1-CB 3.8Å; I191-L210 HydrophobicContact CD1-CD2 3.59Å; I191-L210 HydrophobicContact CD1-CG 4.23Å; S206-L210 PolarHBondContact O-N 3.31Å; S206-L210 VanDerWaalsContact O-N 3.15Å; E207-L210 PolarHBondContact O-N 3.02Å; E208-L210 PolarHBondContact O-N 2.93Å; L210-F212 VanDerWaalsContact C-N 3.35Å; L210-F212 PolarHBondContact O-N 2.87Å; L210-T213 PolarHBondContact O-N 2.82Å; L210-L214 HydrophobicContact CD1-CD1 3.88Å; L210-L214 HydrophobicContact CD1-CG 4.08Å; L210-L214 HydrophobicContact CD2-CD1 4.5Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CB 3.46Å; L210-L214 WeakPolarHBondContact O-CD1 3.29Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.32Å; L210-L214 PolarHBondContact O-N 3.1Å
211	A	51.3	Low	47.6	Very low	57 Å²	57	78 Å²	78	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-57	-47.4	177	0	0	0	0	0	111.4	E207 E208 L214 E215	E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 2.88Å; E208-A211 PolarHBondContact O-N 3.33Å; A211-L214 PolarHBondContact O-N 2.86Å; A211-E215 WeakPolarHBondContact O-CB 3.07Å; A211-E215 PolarHBondContact O-N 3.36Å
212	F	49.7	Very low	48.4	Very low	77 Å²	77	77.8 Å²	77.8	34%	0.338	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176.2	-177.7	-100.8	0	0	0	112.8	E208 L210 L214 E215 V216 L330	E208-F212 VanDerWaalsContact O-CB 3.27Å; E208-F212 WeakPolarHBondContact O-CB 3.35Å; E208-F212 PolarHBondContact O-N 3.37Å; L210-F212 VanDerWaalsContact C-N 3.35Å; L210-F212 PolarHBondContact O-N 2.87Å; F212-L214 VanDerWaalsContact C-N 3.28Å; F212-L214 PolarHBondContact O-N 2.88Å; F212-E215 PolarHBondContact O-N 2.98Å; F212-V216 HydrophobicContact CD1-CG2 4.41Å; F212-V216 HydrophobicContact CE1-CG2 4.04Å; F212-V216 HydrophobicContact CZ-CG2 4.1Å; F212-V216 WeakPolarHBondContact O-CG2 3.41Å; F212-V216 PolarHBondContact O-N 3.13Å; F212-L330 HydrophobicContact CE1-CD1 4.31Å; F212-L330 HydrophobicContact CE1-CD2 3.91Å; F212-L330 HydrophobicContact CE2-CD1 4.26Å; F212-L330 HydrophobicContact CZ-CD1 3.74Å; F212-L330 HydrophobicContact CZ-CD2 4.13Å
213	T	54.3	Low	49.3	Very low	14 Å²	14	77.9 Å²	77.9	9%	0.086	39%	0.386	C	S	.	.	H	α-helix	trans	-61.3	-39.7	176.5	-60.4	0	0	0	0	111.4	L183 L184 L209 L210 I217	L183-T213 HydrophobicContact CD2-CG2 4.01Å; L184-T213 HydrophobicContact CD2-CG2 3.88Å; L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.45Å; L209-T213 PolarHBondContact O-N 3.22Å; L209-T213 PolarHBondContact O-OG1 3.39Å; L210-T213 PolarHBondContact O-N 2.82Å; T213-I217 WeakPolarHBondContact O-CD1 3.2Å; T213-I217 WeakPolarHBondContact O-CG1 3.47Å; T213-I217 PolarHBondContact O-N 3.34Å
214	L	54	Low	49.7	Very low	26 Å²	26	71.7 Å²	71.7	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-41.5	175.1	-66.5	165.7	0	0	0	111.4	L210 A211 F212 V216 I217 V218 L231 L300	L210-L214 HydrophobicContact CD1-CD1 3.88Å; L210-L214 HydrophobicContact CD1-CG 4.08Å; L210-L214 HydrophobicContact CD2-CD1 4.5Å; L210-L214 HydrophobicContact CG-CD1 3.79Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CB 3.46Å; L210-L214 WeakPolarHBondContact O-CD1 3.29Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.32Å; L210-L214 PolarHBondContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 2.86Å; F212-L214 VanDerWaalsContact C-N 3.28Å; F212-L214 PolarHBondContact O-N 2.88Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 3.49Å; L214-I217 CarbonylContact O-C 3.49Å; L214-I217 WeakPolarHBondContact O-CA 3.32Å; L214-I217 WeakPolarHBondContact O-CB 3.27Å; L214-I217 PolarHBondContact O-N 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 3.46Å; L214-V218 PolarHBondContact O-N 3.06Å; L214-L231 HydrophobicContact CD2-CD1 4.14Å; L214-L300 HydrophobicContact CB-CD1 3.74Å; L214-L300 HydrophobicContact CD1-CD1 4.19Å; L214-L300 HydrophobicContact CD1-CD2 3.99Å; L214-L300 HydrophobicContact CD2-CD2 3.88Å; L214-L300 HydrophobicContact CG-CD1 4.4Å; L214-L300 HydrophobicContact CG-CD2 4.35Å
215	E	55.4	Low	50.1	Low	75 Å²	75	65.3 Å²	65.3	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-40.6	176.2	179.9	173.5	-164.6	0	0	112.4	A211 F212 I217 V218 N219	A211-E215 WeakPolarHBondContact O-CB 3.07Å; A211-E215 PolarHBondContact O-N 3.36Å; F212-E215 PolarHBondContact O-N 2.98Å; E215-I217 VanDerWaalsContact C-N 3.32Å; E215-I217 PolarHBondContact O-N 3.25Å; E215-V218 WeakPolarHBondContact O-CB 3.41Å; E215-V218 PolarHBondContact O-N 3.08Å; E215-V218 VanDerWaalsContact O-N 3.14Å; E215-N219 VanDerWaalsContact CG-ND2 3.31Å; E215-N219 WeakPolarHBondContact CG-ND2 3.41Å; E215-N219 WeakPolarHBondContact O-CB 3.43Å; E215-N219 PolarHBondContact O-N 2.82Å; E215-N219 PolarHBondContact O-ND2 3.46Å
216	V	55.1	Low	50.5	Low	53 Å²	53	67.9 Å²	67.9	32%	0.321	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-41.2	172.5	170.3	0	0	0	0	111.4	F212 L214 V218 D220 Y224	F212-V216 HydrophobicContact CD1-CG2 4.41Å; F212-V216 HydrophobicContact CE1-CG2 4.04Å; F212-V216 HydrophobicContact CZ-CG2 4.1Å; F212-V216 WeakPolarHBondContact O-CG2 3.41Å; F212-V216 PolarHBondContact O-N 3.13Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 3.49Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V216-D220 PolarHBondContact O-N 3Å; V216-Y224 HydrophobicContact CG1-CE2 4.01Å
217	I	52.2	Low	50.6	Low	9 Å²	9	68 Å²	68	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-69.1	-30.2	175.3	-66.6	165.3	0	0	0	111.8	L180 L184 T213 L214 E215 I227	L180-I217 HydrophobicContact CD1-CD1 4.31Å; L180-I217 HydrophobicContact CD1-CG1 4.5Å; L184-I217 HydrophobicContact CD2-CD1 4.45Å; T213-I217 WeakPolarHBondContact O-CD1 3.2Å; T213-I217 WeakPolarHBondContact O-CG1 3.47Å; T213-I217 PolarHBondContact O-N 3.34Å; L214-I217 CarbonylContact O-C 3.49Å; L214-I217 WeakPolarHBondContact O-CA 3.32Å; L214-I217 WeakPolarHBondContact O-CB 3.27Å; L214-I217 PolarHBondContact O-N 3.27Å; E215-I217 VanDerWaalsContact C-N 3.32Å; E215-I217 PolarHBondContact O-N 3.25Å; I217-I227 HydrophobicContact CG2-CG2 4.05Å
218	V	53.2	Low	50.8	Low	23 Å²	23	66.3 Å²	66.3	14%	0.139	34%	0.342	C	S	.	.	H	α-helix	trans	-72.8	-43.4	175.4	178.4	0	0	0	0	111.9	L214 E215 V216 L300 L304	L214-V218 WeakPolarHBondContact O-CG2 3.46Å; L214-V218 PolarHBondContact O-N 3.06Å; E215-V218 WeakPolarHBondContact O-CB 3.41Å; E215-V218 PolarHBondContact O-N 3.08Å; E215-V218 VanDerWaalsContact O-N 3.14Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V218-L300 HydrophobicContact CG2-CD1 4.1Å; V218-L304 HydrophobicContact CB-CD2 4.04Å; V218-L304 HydrophobicContact CG1-CD2 3.81Å; V218-L304 HydrophobicContact CG2-CD2 3.39Å; V218-L304 HydrophobicContact CG2-CG 4.24Å
219	N	51.8	Low	50.9	Low	109 Å²	109	65.3 Å²	65.3	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-78.7	-41.5	-168.9	-76	-25.3	0	0	0	112.3	E215 K221	E215-N219 VanDerWaalsContact CG-ND2 3.31Å; E215-N219 WeakPolarHBondContact CG-ND2 3.41Å; E215-N219 WeakPolarHBondContact O-CB 3.43Å; E215-N219 PolarHBondContact O-N 2.82Å; E215-N219 PolarHBondContact O-ND2 3.46Å; N219-K221 PolarHBondContact O-N 2.86Å
220	D	53.8	Low	51	Low	70 Å²	70	65.3 Å²	65.3	37%	0.374	34%	0.335	S	S	.	.			trans	-91.3	70.4	172.3	-164.4	-13.2	0	0	0	112.2	V216 V222 Y223 Y224	V216-D220 PolarHBondContact O-N 3Å; D220-V222 PolarHBondContact O-N 3.5Å; D220-V222 PolarHBondContact OD1-N 2.83Å; D220-V222 VanDerWaalsContact OD1-N 3.11Å; D220-Y223 VanDerWaalsContact CG-CB 3.42Å; D220-Y223 PolarHBondContact O-N 3.11Å; D220-Y223 WeakPolarHBondContact OD1-CB 3.48Å; D220-Y223 PolarHBondContact OD1-N 3.32Å; D220-Y223 VanDerWaalsContact OD2-CB 3.25Å; D220-Y223 WeakPolarHBondContact OD2-CB 3.35Å; D220-Y224 HydrophobicContact CB-CD2 3.9Å; D220-Y224 HydrophobicContact CB-CE2 4.15Å; D220-Y224 WeakPolarHBondContact O-CB 3.15Å; D220-Y224 WeakPolarHBondContact O-CD2 3.34Å; D220-Y224 PolarHBondContact O-N 3.26Å
221	K	49.7	Very low	50.9	Low	79 Å²	79	66.6 Å²	66.6	34%	0.343	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-22.6	170.9	-83.9	168.3	-173.6	161.1	0	113.4	N219 S225 S307	N219-K221 PolarHBondContact O-N 2.86Å; K221-S225 VanDerWaalsContact O-CB 3.26Å; K221-S225 WeakPolarHBondContact O-CB 3.34Å; K221-S225 PolarHBondContact O-N 2.9Å; K221-S307 PolarHBondContact NZ-OG 2.91Å
222	V	48.4	Very low	51	Low	141 Å²	141	65.5 Å²	65.5	86%	0.855	33%	0.328	S	S	*	.	H	α-helix	trans	-75	-44.9	-178.7	-177.8	0	0	0	0	109.7	D220	D220-V222 PolarHBondContact O-N 3.5Å; D220-V222 PolarHBondContact OD1-N 2.83Å; D220-V222 VanDerWaalsContact OD1-N 3.11Å
223	Y	48.1	Very low	51.1	Low	166 Å²	166	66.1 Å²	66.1	65%	0.651	34%	0.335	S	S	*	.	H	α-helix	trans	-82.3	-36.4	180	-159.2	-95.9	0	0	0	113	D220	D220-Y223 VanDerWaalsContact CG-CB 3.42Å; D220-Y223 PolarHBondContact O-N 3.11Å; D220-Y223 WeakPolarHBondContact OD1-CB 3.48Å; D220-Y223 PolarHBondContact OD1-N 3.32Å; D220-Y223 VanDerWaalsContact OD2-CB 3.25Å; D220-Y223 WeakPolarHBondContact OD2-CB 3.35Å
224	Y	47.5	Very low	50.9	Low	48 Å²	48	67.4 Å²	67.4	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-105.1	8	-172.5	-59.7	-63.3	0	0	0	116.1	L180 V216 D220 N226 I227 Y228	L180-Y224 HydrophobicContact CD1-CD1 4.22Å; L180-Y224 HydrophobicContact CD1-CE1 3.87Å; V216-Y224 HydrophobicContact CG1-CE2 4.01Å; D220-Y224 HydrophobicContact CB-CD2 3.9Å; D220-Y224 HydrophobicContact CB-CE2 4.15Å; D220-Y224 WeakPolarHBondContact O-CB 3.15Å; D220-Y224 WeakPolarHBondContact O-CD2 3.34Å; D220-Y224 PolarHBondContact O-N 3.26Å; Y224-N226 VanDerWaalsContact C-N 3.26Å; Y224-N226 PolarHBondContact O-N 3.23Å; Y224-N226 VanDerWaalsContact O-N 3.12Å; Y224-I227 HydrophobicContact CD1-CD1 3.79Å; Y224-I227 WeakPolarHBondContact O-CA 3.48Å; Y224-I227 WeakPolarHBondContact O-CB 3.26Å; Y224-I227 PolarHBondContact O-N 2.78Å; Y224-Y228 PolarHBondContact O-N 3.31Å
225	S	47.2	Very low	50.8	Low	66 Å²	66	67.1 Å²	67.1	46%	0.462	34%	0.337	S	S	.	.	H	α-helix	trans	-46	-47.1	179.1	-175.6	0	0	0	0	113.7	K221 I227 Y228 E229	K221-S225 VanDerWaalsContact O-CB 3.26Å; K221-S225 WeakPolarHBondContact O-CB 3.34Å; K221-S225 PolarHBondContact O-N 2.9Å; S225-I227 PolarHBondContact O-N 3.48Å; S225-I227 VanDerWaalsContact O-N 3.17Å; S225-Y228 PolarHBondContact O-N 3.04Å; S225-E229 PolarHBondContact O-N 3.43Å
226	N	49.7	Very low	50.5	Low	103 Å²	103	66.8 Å²	66.8	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-62.4	-22.1	-180	-114.2	-55.6	0	0	0	114.4	Y224 K230	Y224-N226 VanDerWaalsContact C-N 3.26Å; Y224-N226 PolarHBondContact O-N 3.23Å; Y224-N226 VanDerWaalsContact O-N 3.12Å; N226-K230 WeakPolarHBondContact O-CG 3.49Å; N226-K230 PolarHBondContact O-NZ 3.09Å; N226-K230 PolarHBondContact OD1-NZ 3.26Å
227	I	47.2	Very low	50.3	Low	17 Å²	17	68.4 Å²	68.4	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-93.4	-46.2	178.4	-75	149.8	0	0	0	109.5	L177 L180 I217 Y224 S225 E229 K230 L231	L177-I227 HydrophobicContact CD1-CD1 4.45Å; L180-I227 HydrophobicContact CD1-CD1 4.02Å; L180-I227 HydrophobicContact CD2-CB 4.48Å; L180-I227 HydrophobicContact CD2-CD1 3.81Å; L180-I227 HydrophobicContact CD2-CG1 4.02Å; L180-I227 HydrophobicContact CD2-CG2 3.66Å; L180-I227 HydrophobicContact CG-CD1 4.38Å; I217-I227 HydrophobicContact CG2-CG2 4.05Å; Y224-I227 HydrophobicContact CD1-CD1 3.79Å; Y224-I227 WeakPolarHBondContact O-CA 3.48Å; Y224-I227 WeakPolarHBondContact O-CB 3.26Å; Y224-I227 PolarHBondContact O-N 2.78Å; S225-I227 PolarHBondContact O-N 3.48Å; S225-I227 VanDerWaalsContact O-N 3.17Å; I227-E229 VanDerWaalsContact C-N 3.31Å; I227-E229 PolarHBondContact O-N 3.46Å; I227-K230 PolarHBondContact O-N 2.72Å; I227-K230 VanDerWaalsContact O-N 3.12Å; I227-L231 WeakPolarHBondContact O-CB 3.32Å; I227-L231 PolarHBondContact O-N 3.46Å
228	Y	49.6	Very low	50.1	Low	61 Å²	61	71.4 Å²	71.4	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-51.5	-47.9	173.2	165.9	-105.2	0	0	0	112	Y224 S225 K230 L231 N232 L304	Y224-Y228 PolarHBondContact O-N 3.31Å; S225-Y228 PolarHBondContact O-N 3.04Å; Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3Å; Y228-L231 PolarHBondContact O-N 3.01Å; Y228-N232 VanDerWaalsContact O-CB 3.28Å; Y228-N232 WeakPolarHBondContact O-CB 3.4Å; Y228-N232 PolarHBondContact O-N 2.99Å; Y228-L304 HydrophobicContact CD2-CD1 4.27Å; Y228-L304 HydrophobicContact CD2-CD2 3.82Å; Y228-L304 HydrophobicContact CE2-CB 4.16Å; Y228-L304 HydrophobicContact CE2-CD1 3.88Å; Y228-L304 HydrophobicContact CE2-CD2 3.55Å; Y228-L304 HydrophobicContact CE2-CG 4.06Å
229	E	51.9	Low	49.9	Very low	106 Å²	106	74.6 Å²	74.6	50%	0.495	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-40.3	179	-172.9	-176.1	-159.5	0	0	112.6	S225 I227 N233	S225-E229 PolarHBondContact O-N 3.43Å; I227-E229 VanDerWaalsContact C-N 3.31Å; I227-E229 PolarHBondContact O-N 3.46Å; E229-N233 WeakPolarHBondContact O-CB 3.37Å; E229-N233 PolarHBondContact O-N 3.31Å; E229-N233 PolarHBondContact O-ND2 2.68Å
230	K	50.9	Low	49.9	Very low	61 Å²	61	73.5 Å²	73.5	27%	0.265	36%	0.355	S	S	.	.	H	α-helix	trans	-76.6	-37.9	-178.9	-66.3	-178.8	-171	72.6	0	112	I176 N226 I227 Y228 N232 N233 H234	I176-K230 HydrophobicContact CD1-CD 3.71Å; I176-K230 VanDerWaalsContact CD1-CE 3.47Å; N226-K230 WeakPolarHBondContact O-CG 3.49Å; N226-K230 PolarHBondContact O-NZ 3.09Å; N226-K230 PolarHBondContact OD1-NZ 3.26Å; I227-K230 PolarHBondContact O-N 2.72Å; I227-K230 VanDerWaalsContact O-N 3.12Å; Y228-K230 VanDerWaalsContact C-N 3.34Å; Y228-K230 PolarHBondContact O-N 3Å; K230-N232 VanDerWaalsContact C-N 3.31Å; K230-N232 PolarHBondContact O-N 3.35Å; K230-N233 PolarHBondContact O-N 3.26Å; K230-H234 PolarHBondContact O-CD2 3.24Å; K230-H234 PolarHBondContact O-N 2.88Å
231	L	48.4	Very low	49.5	Very low	37 Å²	37	74 Å²	74	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-42.9	172.8	-155	160.8	0	0	0	110.1	F174 L214 I227 Y228 H234 W235 L300	F174-L231 HydrophobicContact CE1-CB 4.43Å; L214-L231 HydrophobicContact CD2-CD1 4.14Å; I227-L231 WeakPolarHBondContact O-CB 3.32Å; I227-L231 PolarHBondContact O-N 3.46Å; Y228-L231 PolarHBondContact O-N 3.01Å; L231-H234 PolarHBondContact O-N 3.06Å; L231-W235 VanDerWaalsContact O-CB 3.27Å; L231-W235 WeakPolarHBondContact O-CB 3.31Å; L231-W235 PolarHBondContact O-N 3.39Å; L231-L300 HydrophobicContact CD2-CD2 4.23Å
232	N	53.3	Low	49.5	Very low	34 Å²	34	73.3 Å²	73.3	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-42	173.7	-166.7	44.1	0	0	0	113	Y228 K230 W235 F236 H301	Y228-N232 VanDerWaalsContact O-CB 3.28Å; Y228-N232 WeakPolarHBondContact O-CB 3.4Å; Y228-N232 PolarHBondContact O-N 2.99Å; K230-N232 VanDerWaalsContact C-N 3.31Å; K230-N232 PolarHBondContact O-N 3.35Å; N232-W235 WeakPolarHBondContact O-CB 3.07Å; N232-W235 PolarHBondContact O-N 3.31Å; N232-F236 WeakPolarHBondContact O-CD2 3.24Å; N232-F236 PolarHBondContact O-N 2.92Å; N232-F236 VanDerWaalsContact O-N 3.16Å; N232-H301 PolarHBondContact OD1-CE1 2.84Å; N232-H301 VanDerWaalsContact OD1-CE1 3.27Å
233	N	51.3	Low	49.8	Very low	91 Å²	91	71 Å²	71	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-40.1	176.4	-78.4	-42.8	0	0	0	113	E229 K230 W235 K237	E229-N233 WeakPolarHBondContact O-CB 3.37Å; E229-N233 PolarHBondContact O-N 3.31Å; E229-N233 PolarHBondContact O-ND2 2.68Å; K230-N233 PolarHBondContact O-N 3.26Å; N233-W235 VanDerWaalsContact C-N 3.34Å; N233-K237 PolarHBondContact O-N 2.94Å
234	H	49.5	Very low	49.6	Very low	41 Å²	41	66.3 Å²	66.3	19%	0.19	32%	0.32	C	S	.	.	H	α-helix	trans	-71.7	-29.2	173.8	-82.1	-109.4	0	0	0	112.5	E173 F174 K230 L231 K237 L238	E173-H234 IonicContact OE2-CE1 3.69Å; E173-H234 PolarHBondContact OE2-CE1 3.24Å; E173-H234 VanDerWaalsContact OE2-CE1 3.24Å; E173-H234 IonicContact OE2-ND1 3.6Å; F174-H234 HydrophobicContact CE2-CB 3.82Å; F174-H234 AromaticContact CE2-CG 3.65Å; F174-H234 AromaticContact CE2-ND1 3.61Å; F174-H234 HydrophobicContact CZ-CB 3.72Å; F174-H234 AromaticContact CZ-CG 3.84Å; K230-H234 PolarHBondContact O-CD2 3.24Å; K230-H234 PolarHBondContact O-N 2.88Å; L231-H234 PolarHBondContact O-N 3.06Å; H234-K237 VanDerWaalsContact O-CB 3.31Å; H234-K237 WeakPolarHBondContact O-CB 3.32Å; H234-K237 PolarHBondContact O-N 3.19Å; H234-L238 PolarHBondContact O-N 3.26Å; H234-L238 VanDerWaalsContact O-N 3.17Å
235	W	53.6	Low	49.5	Very low	20 Å²	20	66.1 Å²	66.1	8%	0.076	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-48.1	172.8	178.3	-114.4	0	0	0	112	L231 N232 N233 K237 L238 E239 L294 S297 L298 H301	L231-W235 VanDerWaalsContact O-CB 3.27Å; L231-W235 WeakPolarHBondContact O-CB 3.31Å; L231-W235 PolarHBondContact O-N 3.39Å; N232-W235 WeakPolarHBondContact O-CB 3.07Å; N232-W235 PolarHBondContact O-N 3.31Å; N233-W235 VanDerWaalsContact C-N 3.34Å; W235-K237 VanDerWaalsContact C-N 3.25Å; W235-K237 PolarHBondContact O-N 3.48Å; W235-L238 HydrophobicContact CE3-CD1 4.22Å; W235-L238 HydrophobicContact CZ3-CD1 4.42Å; W235-L238 WeakPolarHBondContact O-CB 3.35Å; W235-L238 PolarHBondContact O-N 3.12Å; W235-E239 PolarHBondContact O-N 3.17Å; W235-L294 HydrophobicContact CH2-CD2 4.37Å; W235-L294 HydrophobicContact CZ3-CD2 4.4Å; W235-S297 WeakPolarHBondContact CH2-OG 3.28Å; W235-S297 VanDerWaalsContact CZ3-CB 3.43Å; W235-S297 WeakPolarHBondContact CZ3-OG 3.43Å; W235-L298 HydrophobicContact CH2-CG 4.13Å; W235-L298 HydrophobicContact CZ2-CB 4.41Å; W235-L298 HydrophobicContact CZ2-CD2 3.94Å; W235-L298 HydrophobicContact CZ2-CG 3.82Å; W235-H301 AromaticContact CD1-CE1 3.61Å; W235-H301 AromaticContact CD1-CG 3.6Å; W235-H301 AromaticContact CD1-ND1 3.21Å; W235-H301 AromaticContact NE1-CD2 3.75Å; W235-H301 AromaticContact NE1-CE1 3.96Å; W235-H301 AromaticContact NE1-CG 3.31Å; W235-H301 VanDerWaalsContact NE1-CG 3.31Å; W235-H301 AromaticContact NE1-ND1 3.48Å; W235-H301 PolarHBondContact NE1-ND1 3.26Å
236	F	47.6	Very low	49.5	Very low	68 Å²	68	67.5 Å²	67.5	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-29.4	173.9	-67.9	-57.1	0	0	0	113.4	N232 L238 Y240 H301	N232-F236 WeakPolarHBondContact O-CD2 3.24Å; N232-F236 PolarHBondContact O-N 2.92Å; N232-F236 VanDerWaalsContact O-N 3.16Å; F236-L238 VanDerWaalsContact C-N 3.32Å; F236-Y240 VanDerWaalsContact O-CB 3.25Å; F236-Y240 WeakPolarHBondContact O-CB 3.4Å; F236-Y240 PolarHBondContact O-N 2.88Å; F236-H301 AromaticContact CZ-CE1 3.77Å
237	K	51.4	Low	49.6	Very low	86 Å²	86	69.1 Å²	69.1	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-37.3	172.9	-167	179.1	179.8	178.8	0	111.2	E173 N233 H234 W235 I241	E173-K237 IonicContact OE1-NZ 2.7Å; E173-K237 PolarHBondContact OE1-NZ 3.32Å; E173-K237 IonicContact OE2-NZ 2.75Å; E173-K237 PolarHBondContact OE2-NZ 3.17Å; N233-K237 PolarHBondContact O-N 2.94Å; H234-K237 VanDerWaalsContact O-CB 3.31Å; H234-K237 WeakPolarHBondContact O-CB 3.32Å; H234-K237 PolarHBondContact O-N 3.19Å; W235-K237 VanDerWaalsContact C-N 3.25Å; W235-K237 PolarHBondContact O-N 3.48Å; K237-I241 WeakPolarHBondContact O-CD1 3.3Å; K237-I241 VanDerWaalsContact O-CG1 3.27Å; K237-I241 WeakPolarHBondContact O-CG1 3.28Å; K237-I241 PolarHBondContact O-N 2.91Å
238	L	47.4	Very low	49.6	Very low	73 Å²	73	74.2 Å²	74.2	38%	0.382	35%	0.347	S	S	.	.	H	α-helix	trans	-73.9	-46.7	175	-67.7	169.9	0	0	0	112.4	H234 W235 F236 Y240 I241 H242	H234-L238 PolarHBondContact O-N 3.26Å; H234-L238 VanDerWaalsContact O-N 3.17Å; W235-L238 HydrophobicContact CE3-CD1 4.22Å; W235-L238 HydrophobicContact CZ3-CD1 4.42Å; W235-L238 WeakPolarHBondContact O-CB 3.35Å; W235-L238 PolarHBondContact O-N 3.12Å; F236-L238 VanDerWaalsContact C-N 3.32Å; L238-Y240 VanDerWaalsContact C-N 3.27Å; L238-Y240 PolarHBondContact O-N 3.41Å; L238-I241 PolarHBondContact O-N 3.47Å; L238-I241 VanDerWaalsContact O-N 3.14Å; L238-H242 PolarHBondContact O-N 2.94Å
239	E	50.4	Low	49	Very low	89 Å²	89	74.6 Å²	74.6	42%	0.416	37%	0.37	S	S	.	.	H	α-helix	trans	-57.9	-40.9	176.7	-172.4	-177.7	-151.7	0	0	111.3	W235 H242 E243	W235-E239 PolarHBondContact O-N 3.17Å; E239-H242 PolarHBondContact O-N 3.43Å; E239-E243 PolarHBondContact O-N 3.4Å
240	Y	50.3	Low	48.3	Very low	87 Å²	87	74 Å²	74	34%	0.341	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-38	176.8	-176.6	-120.2	0	0	0	113.3	F236 L238 E243 L244 K1144	F236-Y240 VanDerWaalsContact O-CB 3.25Å; F236-Y240 WeakPolarHBondContact O-CB 3.4Å; F236-Y240 PolarHBondContact O-N 2.88Å; L238-Y240 VanDerWaalsContact C-N 3.27Å; L238-Y240 PolarHBondContact O-N 3.41Å; Y240-E243 PolarHBondContact O-N 3.47Å; Y240-L244 HydrophobicContact CD1-CD1 4Å; Y240-L244 HydrophobicContact CE1-CD1 3.57Å; Y240-L244 HydrophobicContact CE1-CG 4.31Å; Y240-L244 HydrophobicContact CE2-CD1 4.3Å; Y240-L244 HydrophobicContact CE2-CD2 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.15Å; Y240-L244 WeakPolarHBondContact O-CB 3.24Å; Y240-L244 WeakPolarHBondContact O-CG 3.22Å; Y240-L244 PolarHBondContact O-N 3.14Å; Y240-K1144 VanDerWaalsContact CE2-NZ 3.33Å; Y240-K1144 VanDerWaalsContact CZ-NZ 3.32Å; Y240-K1144 PolarHBondContact OH-NZ 2.66Å
241	I	45.6	Very low	47.6	Very low	79 Å²	79	77.5 Å²	77.5	41%	0.405	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-40.2	174.8	-70.3	164.9	0	0	0	110.6	K237 L238 L244 Q245	K237-I241 WeakPolarHBondContact O-CD1 3.3Å; K237-I241 VanDerWaalsContact O-CG1 3.27Å; K237-I241 WeakPolarHBondContact O-CG1 3.28Å; K237-I241 PolarHBondContact O-N 2.91Å; L238-I241 PolarHBondContact O-N 3.47Å; L238-I241 VanDerWaalsContact O-N 3.14Å; I241-L244 PolarHBondContact O-N 3.28Å; I241-Q245 WeakPolarHBondContact O-CG 3.37Å; I241-Q245 PolarHBondContact O-N 2.9Å; I241-Q245 VanDerWaalsContact O-N 3.08Å
242	H	49.9	Very low	47	Very low	66 Å²	66	75.8 Å²	75.8	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-65.4	-44.7	175.3	-177.2	-106	0	0	0	111.9	L238 E239 L244 Q245 M246	L238-H242 PolarHBondContact O-N 2.94Å; E239-H242 PolarHBondContact O-N 3.43Å; H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.17Å; H242-Q245 PolarHBondContact O-N 3.47Å; H242-M246 VanDerWaalsContact NE2-CE 3.31Å; H242-M246 WeakPolarHBondContact NE2-CE 3.4Å; H242-M246 WeakPolarHBondContact O-CG 3.38Å; H242-M246 PolarHBondContact O-N 3.46Å; H242-M246 VanDerWaalsContact O-N 3.14Å
243	E	54.2	Low	46.4	Very low	91 Å²	91	78.8 Å²	78.8	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-58.5	-41.1	172.8	-99.6	-136.8	134.3	0	0	112.7	E239 Y240 K247	E239-E243 PolarHBondContact O-N 3.4Å; Y240-E243 PolarHBondContact O-N 3.47Å; E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 WeakPolarHBondContact O-CD 3.18Å; E243-K247 WeakPolarHBondContact O-CG 3.41Å; E243-K247 PolarHBondContact O-N 3.07Å; E243-K247 VanDerWaalsContact O-N 3.14Å; E243-K247 VanDerWaalsContact OE1-CE 3.32Å; E243-K247 WeakPolarHBondContact OE1-CE 3.42Å; E243-K247 IonicContact OE1-NZ 2.66Å; E243-K247 PolarHBondContact OE1-NZ 2.89Å; E243-K247 IonicContact OE2-NZ 3.24Å; E243-K247 PolarHBondContact OE2-NZ 3.02Å
244	L	45.4	Very low	45.9	Very low	69 Å²	69	78.2 Å²	78.2	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-49	179.2	-79	173.7	0	0	0	111.5	Y240 I241 H242 M246 K247 E248	Y240-L244 HydrophobicContact CD1-CD1 4Å; Y240-L244 HydrophobicContact CE1-CD1 3.57Å; Y240-L244 HydrophobicContact CE1-CG 4.31Å; Y240-L244 HydrophobicContact CE2-CD1 4.3Å; Y240-L244 HydrophobicContact CE2-CD2 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.15Å; Y240-L244 WeakPolarHBondContact O-CB 3.24Å; Y240-L244 WeakPolarHBondContact O-CG 3.22Å; Y240-L244 PolarHBondContact O-N 3.14Å; I241-L244 PolarHBondContact O-N 3.28Å; H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.17Å; L244-M246 VanDerWaalsContact C-N 3.31Å; L244-M246 PolarHBondContact O-N 2.72Å; L244-K247 PolarHBondContact O-N 3.34Å; L244-E248 PolarHBondContact O-N 2.76Å; L244-E248 VanDerWaalsContact O-N 3.17Å
245	Q	45.1	Very low	45.2	Very low	44 Å²	44	78.9 Å²	78.9	21%	0.206	40%	0.402	C	S	.	.	H	α-helix	trans	-55.1	-47.5	177.5	-72.6	175.6	6.9	0	0	111.4	I241 H242 K247 N250 C252	I241-Q245 WeakPolarHBondContact O-CG 3.37Å; I241-Q245 PolarHBondContact O-N 2.9Å; I241-Q245 VanDerWaalsContact O-N 3.08Å; H242-Q245 PolarHBondContact O-N 3.47Å; Q245-K247 VanDerWaalsContact C-N 3.26Å; Q245-K247 PolarHBondContact O-N 2.68Å; Q245-N250 VanDerWaalsContact O-O 3.08Å; Q245-C252 PolarHBondContact OE1-SG 2.82Å
246	M	47.7	Very low	44.2	Very low	95 Å²	95	80.5 Å²	80.5	47%	0.468	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-24.1	178.5	-65.7	-66.2	-173.7	0	0	113.9	H242 L244 C252 C255	H242-M246 VanDerWaalsContact NE2-CE 3.31Å; H242-M246 WeakPolarHBondContact NE2-CE 3.4Å; H242-M246 WeakPolarHBondContact O-CG 3.38Å; H242-M246 PolarHBondContact O-N 3.46Å; H242-M246 VanDerWaalsContact O-N 3.14Å; L244-M246 VanDerWaalsContact C-N 3.31Å; L244-M246 PolarHBondContact O-N 2.72Å; M246-C252 HydrophobicContact CE-CB 3.46Å; M246-C252 VanDerWaalsContact CE-CB 3.46Å; M246-C252 HydrophobicContact SD-CB 3.8Å; M246-C255 HydrophobicContact CE-CB 3.94Å
247	K	51.8	Low	43.4	Very low	136 Å²	136	81.1 Å²	81.1	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-90	-21.8	-177.2	-77.9	171.2	-173.5	175.4	0	114.7	E243 L244 Q245 G249	E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 WeakPolarHBondContact O-CD 3.18Å; E243-K247 WeakPolarHBondContact O-CG 3.41Å; E243-K247 PolarHBondContact O-N 3.07Å; E243-K247 VanDerWaalsContact O-N 3.14Å; E243-K247 VanDerWaalsContact OE1-CE 3.32Å; E243-K247 WeakPolarHBondContact OE1-CE 3.42Å; E243-K247 IonicContact OE1-NZ 2.66Å; E243-K247 PolarHBondContact OE1-NZ 2.89Å; E243-K247 IonicContact OE2-NZ 3.24Å; E243-K247 PolarHBondContact OE2-NZ 3.02Å; L244-K247 PolarHBondContact O-N 3.34Å; Q245-K247 VanDerWaalsContact C-N 3.26Å; Q245-K247 PolarHBondContact O-N 2.68Å; K247-G249 PolarHBondContact O-N 3.15Å
248	E	46.9	Very low	42.5	Very low	124 Å²	124	82.4 Å²	82.4	58%	0.579	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.1	177.8	-69.7	-179.1	163.5	0	0	113.4	L244 N250	L244-E248 PolarHBondContact O-N 2.76Å; L244-E248 VanDerWaalsContact O-N 3.17Å; E248-N250 HydrophobicContact CB-CB 4.31Å; E248-N250 WeakPolarHBondContact CB-ND2 3.35Å; E248-N250 PolarHBondContact O-N 3.03Å; E248-N250 PolarHBondContact OE2-ND2 3.08Å
249	G	35.9	Very low	41.9	Very low	70 Å²	70	86.6 Å²	86.6	72%	0.722	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-1.3	-170.2	0	0	0	0	0	113.4	K247 L251	K247-G249 PolarHBondContact O-N 3.15Å; G249-L251 PolarHBondContact O-N 3.36Å
250	N	37.8	Very low	41	Very low	94 Å²	94	90.9 Å²	90.9	50%	0.503	48%	0.476	S	S	.	.			trans	-65.4	123	170.3	-76.8	-42.5	0	0	0	109.2	Q245 E248 C252	Q245-N250 VanDerWaalsContact O-O 3.08Å; E248-N250 HydrophobicContact CB-CB 4.31Å; E248-N250 WeakPolarHBondContact CB-ND2 3.35Å; E248-N250 PolarHBondContact O-N 3.03Å; E248-N250 PolarHBondContact OE2-ND2 3.08Å; N250-C252 PolarHBondContact O-N 3.48Å
251	L	36.5	Very low	40.3	Very low	133 Å²	133	93.6 Å²	93.6	70%	0.696	50%	0.496	S	S	*	.			trans	-58.4	116	175.6	-144.7	77.6	0	0	0	108.4	G249 T253 C256	G249-L251 PolarHBondContact O-N 3.36Å; L251-T253 PolarHBondContact O-N 3.33Å; L251-C256 HydrophobicContact CD2-CB 3.64Å; L251-C256 HydrophobicContact CG-CB 3.7Å
252	C	35.8	Very low	39.6	Very low	2 Å²	2	96 Å²	96	1%	0.014	51%	0.51	C	S	.	.			trans	-59.3	115.2	-176.7	176.8	0	0	0	0	109.2	Q245 M246 N250 Y254 C255 C256	Q245-C252 PolarHBondContact OE1-SG 2.82Å; M246-C252 HydrophobicContact CE-CB 3.46Å; M246-C252 VanDerWaalsContact CE-CB 3.46Å; M246-C252 HydrophobicContact SD-CB 3.8Å; N250-C252 PolarHBondContact O-N 3.48Å; C252-Y254 PolarHBondContact O-N 2.93Å; C252-C255 HydrophobicContact CB-CB 4.04Å; C252-C255 PolarHBondContact O-N 3.49Å; C252-C256 PolarHBondContact O-N 3.22Å
253	T	41	Very low	39	Very low	97 Å²	97	99.1 Å²	99.1	60%	0.595	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.9	-169.9	45.5	0	0	0	0	113.5	L251 N287	L251-T253 PolarHBondContact O-N 3.33Å; T253-N287 PolarHBondContact O-ND2 3.32Å; T253-N287 PolarHBondContact O-OD1 3.35Å
254	Y	39.9	Very low	38.2	Very low	78 Å²	78	102.1 Å²	102.1	31%	0.306	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-17.4	177.1	-56.8	-80.5	0	0	0	113.7	C252 H290	C252-Y254 PolarHBondContact O-N 2.93Å; Y254-H290 HydrophobicContact CD1-CB 3.8Å; Y254-H290 AromaticContact CD1-CG 3.67Å; Y254-H290 AromaticContact CD1-ND1 3.95Å; Y254-H290 HydrophobicContact CE1-CB 4.46Å; Y254-H290 AromaticContact CE1-CD2 3.87Å; Y254-H290 AromaticContact CE1-CE1 3.89Å; Y254-H290 AromaticContact CE1-CG 3.83Å; Y254-H290 AromaticContact CE1-ND1 3.85Å; Y254-H290 AromaticContact CE1-NE2 3.9Å
255	C	35.7	Very low	37.9	Very low	55 Å²	55	105.2 Å²	105.2	37%	0.372	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.6	6.2	-165.3	-61.9	0	0	0	0	115.5	M246 C252	M246-C255 HydrophobicContact CE-CB 3.94Å; C252-C255 HydrophobicContact CB-CB 4.04Å; C252-C255 PolarHBondContact O-N 3.49Å
256	C	33.1	Very low	37.8	Very low	55 Å²	55	109.4 Å²	109.4	37%	0.372	59%	0.589	S	S	.	*			trans	-135.8	106.9	-177.6	-72.9	0	0	0	0	113.9	L251 C252	L251-C256 HydrophobicContact CD2-CB 3.64Å; L251-C256 HydrophobicContact CG-CB 3.7Å; C252-C256 PolarHBondContact O-N 3.22Å
257	S	30	Very low	37.4	Very low	81 Å²	81	113.5 Å²	113.5	57%	0.566	61%	0.607	S	S	*	*			trans	-163.9	28.8	161	-80.2	0	0	0	0	114.5
258	D	31.9	Very low	36.9	Very low	112 Å²	112	114.5 Å²	114.5	60%	0.599	62%	0.618	S	S	*	*			trans	-118.2	8.6	-176	-64.9	-45.6	0	0	0	115	Y260	D258-Y260 PolarHBondContact O-N 3.42Å; D258-Y260 VanDerWaalsContact O-N 3.09Å
259	N	34.1	Very low	36.6	Very low	162 Å²	162	115.4 Å²	115.4	87%	0.866	63%	0.627	S	S	*	*			trans	-77.4	93.5	164.9	-84.1	11.6	0	0	0	109.6	N261	N259-N261 PolarHBondContact O-N 3.48Å
260	Y	33.4	Very low	36.5	Very low	178 Å²	178	118.8 Å²	118.8	70%	0.698	63%	0.629	S	S	*	*			trans	-61.6	121	161	-84.9	-113.4	0	0	0	109.1	D258	D258-Y260 PolarHBondContact O-N 3.42Å; D258-Y260 VanDerWaalsContact O-N 3.09Å
261	N	33.7	Very low	36.5	Very low	144 Å²	144	119.4 Å²	119.4	77%	0.77	64%	0.636	S	S	*	*			trans	-94.9	84.1	161.2	-93.1	-3.9	0	0	0	107.4	N259 N263	N259-N261 PolarHBondContact O-N 3.48Å; N261-N263 PolarHBondContact O-N 3.42Å
262	D	31.1	Very low	36.3	Very low	129 Å²	129	119.9 Å²	119.9	69%	0.69	64%	0.639	S	S	*	*			trans	-68.2	99.7	168.1	-66.8	-21.3	0	0	0	108.2
263	N	38.6	Very low	36.2	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	68%	0.679	S	S	*	*			trans	-139.2	70.2	167.9	-78.7	-87.1	0	0	0	107.8	N261 N265	N261-N263 PolarHBondContact O-N 3.42Å; N263-N265 PolarHBondContact O-N 2.89Å
264	D	36.1	Very low	35.8	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	69%	0.691	S	S	*	*			trans	-60.8	122.6	160.9	-69.7	-44.5	0	0	0	108.7
265	N	39.7	Very low	35.6	Very low	134 Å²	134	135.3 Å²	135.3	72%	0.717	72%	0.717	S	S	*	*			trans	-156.4	117	149.3	-77.9	-64.7	0	0	0	108.4	N263	N263-N265 PolarHBondContact O-N 2.89Å
266	D	42.2	Very low	35.6	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	73%	0.728	S	S	*	*			trans	65	128.2	141.7	-47.7	-28.2	0	0	0	122
267	E	39.5	Very low	35.9	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	74%	0.74	S	S	*	*			trans	48	112	136.2	-55.8	179.1	163.3	0	0	117.3
268	D	42.5	Very low	36.4	Very low	157 Å²	157	139.4 Å²	139.4	84%	0.84	74%	0.739	S	S	*	*				-170.7	170.4	63.4	-124	-21	0	0	0	113.9
269	D	39.6	Very low	36.6	Very low	144 Å²	144	139.1 Å²	139.1	77%	0.77	74%	0.737	S	S	*	*			trans	-68.2	129.7	176.7	-75	-53	0	0	0	113.9
270	N	34.6	Very low	36.8	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	72%	0.72	S	S	*	*				170.8	126.6	115.3	-98.2	-84.3	0	0	0	115.9
271	V	37.1	Very low	37	Very low	107 Å²	107	133.9 Å²	133.9	65%	0.648	72%	0.715	S	S	*	*				55.7	111.4	129	177.9	0	0	0	0	120.3
272	N	33.2	Very low	37.2	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	71%	0.706	S	S	*	*			trans	61.8	100.6	145.5	-58.7	-3	0	0	0	120.4
273	N	32.6	Very low	37.2	Very low	161 Å²	161	135.7 Å²	135.7	86%	0.861	71%	0.705	S	S	*	*			trans	-153.7	82.3	132.9	-118.2	-44.9	0	0	0	112.3	N275	N273-N275 PolarHBondContact O-N 3.18Å
274	E	32.4	Very low	37	Very low	181 Å²	181	134.7 Å²	134.7	85%	0.846	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	115.3	166.1	-62	-176.8	132.2	0	0	109.3
275	N	36.8	Very low	37.2	Very low	160 Å²	160	133 Å²	133	86%	0.856	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.4	-2.5	157.1	-99.3	-54.7	0	0	0	114.7	N273	N273-N275 PolarHBondContact O-N 3.18Å
276	G	35.7	Very low	37.2	Very low	57 Å²	57	131.7 Å²	131.7	59%	0.588	67%	0.671	S	S	*	*	S	Bend	trans	-88.5	-21.3	-170.6	0	0	0	0	0	118.2
277	N	38.6	Very low	36.9	Very low	117 Å²	117	127.1 Å²	127.1	63%	0.626	65%	0.647	S	S	*	*	S	Bend	trans	-90.6	-29.1	-149.3	-140.7	-10.3	0	0	0	116.2	N279 N280 K281	N277-N279 VanDerWaalsContact C-N 3.3Å; N277-N279 PolarHBondContact O-N 2.75Å; N277-N280 PolarHBondContact O-N 3.01Å; N277-N280 VanDerWaalsContact O-N 3.12Å; N277-K281 PolarHBondContact O-N 3.11Å
278	D	40.6	Very low	37.2	Very low	103 Å²	103	124.5 Å²	124.5	55%	0.551	63%	0.634	S	S	*	*	H	α-helix	trans	-61.6	-35.1	-176.2	-99.7	14.4	0	0	0	113.8	N280 K281 K282	D278-N280 VanDerWaalsContact C-N 3.26Å; D278-N280 PolarHBondContact O-N 3.01Å; D278-K281 PolarHBondContact O-N 2.93Å; D278-K282 WeakPolarHBondContact O-CB 3.45Å; D278-K282 WeakPolarHBondContact O-CG 3.24Å; D278-K282 PolarHBondContact O-N 3.4Å
279	N	37.5	Very low	37.1	Very low	106 Å²	106	119.9 Å²	119.9	57%	0.567	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-29.7	179.1	-71.2	-41.9	0	0	0	112.1	N277 R283	N277-N279 VanDerWaalsContact C-N 3.3Å; N277-N279 PolarHBondContact O-N 2.75Å; N279-R283 WeakPolarHBondContact O-CB 3.28Å; N279-R283 VanDerWaalsContact O-CG 3.26Å; N279-R283 WeakPolarHBondContact O-CG 3.49Å; N279-R283 PolarHBondContact O-N 2.91Å
280	N	36.6	Very low	37.3	Very low	92 Å²	92	116.5 Å²	116.5	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-77.8	-39.4	176.6	-73.4	-17.4	0	0	0	111.8	N277 D278 R283 K284	N277-N280 PolarHBondContact O-N 3.01Å; N277-N280 VanDerWaalsContact O-N 3.12Å; D278-N280 VanDerWaalsContact C-N 3.26Å; D278-N280 PolarHBondContact O-N 3.01Å; N280-R283 PolarHBondContact O-N 2.86Å; N280-K284 PolarHBondContact O-N 2.69Å
281	K	38	Very low	37.8	Very low	137 Å²	137	115.7 Å²	115.7	60%	0.596	58%	0.58	S	S	*	*	H	α-helix	trans	-60.1	-47.8	170.4	-80.9	-173.4	173.8	-179.4	0	111.8	N277 D278 R283 K284 H285	N277-K281 PolarHBondContact O-N 3.11Å; D278-K281 PolarHBondContact O-N 2.93Å; K281-R283 VanDerWaalsContact C-N 3.35Å; K281-R283 PolarHBondContact O-N 3.43Å; K281-K284 PolarHBondContact O-N 3.2Å; K281-H285 PolarHBondContact O-CD2 3.07Å; K281-H285 PolarHBondContact O-N 3.36Å; K281-H285 VanDerWaalsContact O-N 3.12Å
282	K	38	Very low	38.1	Very low	137 Å²	137	113.2 Å²	113.2	60%	0.596	56%	0.561	S	S	*	*	H	α-helix	trans	-60.6	-41.1	177.3	-74.4	173.2	179.4	167.7	0	112.1	D278 Q286	D278-K282 WeakPolarHBondContact O-CB 3.45Å; D278-K282 WeakPolarHBondContact O-CG 3.24Å; D278-K282 PolarHBondContact O-N 3.4Å; K282-Q286 WeakPolarHBondContact O-CB 3.36Å; K282-Q286 PolarHBondContact O-N 3.04Å
283	R	32.4	Very low	38.6	Very low	174 Å²	174	108.9 Å²	108.9	66%	0.657	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-44.8	173.8	-79.9	173.5	172.3	-174.2	-3.6	113.1	N279 N280 K281 Q286 N287	N279-R283 WeakPolarHBondContact O-CB 3.28Å; N279-R283 VanDerWaalsContact O-CG 3.26Å; N279-R283 WeakPolarHBondContact O-CG 3.49Å; N279-R283 PolarHBondContact O-N 2.91Å; N280-R283 PolarHBondContact O-N 2.86Å; K281-R283 VanDerWaalsContact C-N 3.35Å; K281-R283 PolarHBondContact O-N 3.43Å; R283-Q286 PolarHBondContact O-N 3.38Å; R283-N287 PolarHBondContact O-N 3.34Å
284	K	34.4	Very low	39.3	Very low	113 Å²	113	103.3 Å²	103.3	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-49.8	178.2	-78	-158.5	170.2	-153	0	112	N280 K281 N287 Q288	N280-K284 PolarHBondContact O-N 2.69Å; K281-K284 PolarHBondContact O-N 3.2Å; K284-N287 PolarHBondContact O-N 3.08Å; K284-Q288 PolarHBondContact O-N 2.51Å
285	H	40.1	Very low	40.1	Very low	117 Å²	117	99.2 Å²	99.2	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-70.2	-33.1	179.4	-66.2	-58.4	0	0	0	113.7	K281 N287 Q288 S289	K281-H285 PolarHBondContact O-CD2 3.07Å; K281-H285 PolarHBondContact O-N 3.36Å; K281-H285 VanDerWaalsContact O-N 3.12Å; H285-N287 VanDerWaalsContact C-N 3.32Å; H285-N287 PolarHBondContact O-N 3.5Å; H285-Q288 PolarHBondContact ND1-OE1 2.65Å; H285-Q288 VanDerWaalsContact ND1-OE1 3.14Å; H285-Q288 WeakPolarHBondContact O-CB 3.01Å; H285-Q288 PolarHBondContact O-N 3.34Å; H285-S289 PolarHBondContact O-N 3.39Å; H285-S289 VanDerWaalsContact O-N 3.08Å; H285-S289 PolarHBondContact O-OG 2.77Å
286	Q	38.2	Very low	40.4	Very low	107 Å²	107	93.6 Å²	93.6	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-31	174.7	-175	157.9	81.6	0	0	112.5	K282 R283 S289 H290	K282-Q286 WeakPolarHBondContact O-CB 3.36Å; K282-Q286 PolarHBondContact O-N 3.04Å; R283-Q286 PolarHBondContact O-N 3.38Å; Q286-S289 PolarHBondContact O-OG 2.86Å; Q286-H290 PolarHBondContact O-CD2 3.31Å; Q286-H290 PolarHBondContact O-N 3.34Å
287	N	37.1	Very low	40.8	Very low	37 Å²	37	92.3 Å²	92.3	20%	0.198	44%	0.443	C	S	.	.	H	α-helix	trans	-74.2	-35.6	169.4	-79.3	9.1	0	0	0	112.2	T253 R283 K284 H285 H290 R291	T253-N287 PolarHBondContact O-ND2 3.32Å; T253-N287 PolarHBondContact O-OD1 3.35Å; R283-N287 PolarHBondContact O-N 3.34Å; K284-N287 PolarHBondContact O-N 3.08Å; H285-N287 VanDerWaalsContact C-N 3.32Å; H285-N287 PolarHBondContact O-N 3.5Å; N287-H290 PolarHBondContact O-N 3.45Å; N287-R291 VanDerWaalsContact O-CB 3.27Å; N287-R291 WeakPolarHBondContact O-CB 3.47Å; N287-R291 PolarHBondContact O-N 2.93Å
288	Q	44.8	Very low	41.3	Very low	125 Å²	125	90 Å²	90	58%	0.584	43%	0.431	S	S	*	.	H	α-helix	trans	-60.5	-45.2	177.1	-170.6	178.4	1.9	0	0	112.2	K284 H285 R291 F292	K284-Q288 PolarHBondContact O-N 2.51Å; H285-Q288 PolarHBondContact ND1-OE1 2.65Å; H285-Q288 VanDerWaalsContact ND1-OE1 3.14Å; H285-Q288 WeakPolarHBondContact O-CB 3.01Å; H285-Q288 PolarHBondContact O-N 3.34Å; Q288-R291 PolarHBondContact O-N 2.87Å; Q288-F292 WeakPolarHBondContact O-CB 3.47Å; Q288-F292 PolarHBondContact O-N 3.21Å
289	S	42.1	Very low	41.7	Very low	60 Å²	60	89 Å²	89	42%	0.42	42%	0.423	S	S	.	.	H	α-helix	trans	-71.6	-35.2	177.3	52.7	0	0	0	0	113.3	H285 Q286 R291 L293	H285-S289 PolarHBondContact O-N 3.39Å; H285-S289 VanDerWaalsContact O-N 3.08Å; H285-S289 PolarHBondContact O-OG 2.77Å; Q286-S289 PolarHBondContact O-OG 2.86Å; S289-R291 VanDerWaalsContact C-N 3.34Å; S289-L293 WeakPolarHBondContact O-CB 3.28Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.65Å
290	H	42.5	Very low	42	Very low	73 Å²	73	85.3 Å²	85.3	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-37.8	169.8	-95	-77.7	0	0	0	112.7	Y254 Q286 N287 L294	Y254-H290 HydrophobicContact CD1-CB 3.8Å; Y254-H290 AromaticContact CD1-CG 3.67Å; Y254-H290 AromaticContact CD1-ND1 3.95Å; Y254-H290 HydrophobicContact CE1-CB 4.46Å; Y254-H290 AromaticContact CE1-CD2 3.87Å; Y254-H290 AromaticContact CE1-CE1 3.89Å; Y254-H290 AromaticContact CE1-CG 3.83Å; Y254-H290 AromaticContact CE1-ND1 3.85Å; Y254-H290 AromaticContact CE1-NE2 3.9Å; Q286-H290 PolarHBondContact O-CD2 3.31Å; Q286-H290 PolarHBondContact O-N 3.34Å; N287-H290 PolarHBondContact O-N 3.45Å; H290-L294 WeakPolarHBondContact O-CG 3.16Å; H290-L294 PolarHBondContact O-N 2.82Å; H290-L294 VanDerWaalsContact O-N 3.07Å
291	R	44.7	Very low	42.5	Very low	123 Å²	123	82 Å²	82	46%	0.464	38%	0.384	S	S	.	.	H	α-helix	trans	-68	-46.3	175.4	179.7	176.2	174.2	172	-0.6	111.6	N287 Q288 S289 L293 L294 E295	N287-R291 VanDerWaalsContact O-CB 3.27Å; N287-R291 WeakPolarHBondContact O-CB 3.47Å; N287-R291 PolarHBondContact O-N 2.93Å; Q288-R291 PolarHBondContact O-N 2.87Å; S289-R291 VanDerWaalsContact C-N 3.34Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.85Å; R291-L294 PolarHBondContact O-N 3.42Å; R291-L294 VanDerWaalsContact O-N 3.14Å; R291-E295 HydrophobicContact CG-CG 4.37Å; R291-E295 IonicContact CZ-OE1 2.66Å; R291-E295 VanDerWaalsContact CZ-OE1 3.28Å; R291-E295 IonicContact NE-OE1 3.77Å; R291-E295 PolarHBondContact NE-OE1 3.36Å; R291-E295 IonicContact NE-OE2 2.75Å; R291-E295 IonicContact NH2-OE1 2.67Å; R291-E295 PolarHBondContact NH2-OE1 3.4Å; R291-E295 PolarHBondContact O-N 3.24Å
292	F	44.3	Very low	43	Very low	56 Å²	56	81.7 Å²	81.7	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-57.9	-42.9	174.5	175.6	-95.4	0	0	0	111.9	E207 Q288 E295 S296	E207-F292 HydrophobicContact CB-CE1 4.41Å; E207-F292 HydrophobicContact CB-CZ 3.79Å; E207-F292 HydrophobicContact CG-CE1 3.82Å; E207-F292 HydrophobicContact CG-CE2 4.07Å; E207-F292 HydrophobicContact CG-CZ 3.38Å; E207-F292 WeakPolarHBondContact OE1-CE2 3.46Å; E207-F292 WeakPolarHBondContact OE2-CE2 3.49Å; Q288-F292 WeakPolarHBondContact O-CB 3.47Å; Q288-F292 PolarHBondContact O-N 3.21Å; F292-E295 PolarHBondContact O-N 3.34Å; F292-S296 WeakPolarHBondContact CE1-OG 3.21Å; F292-S296 WeakPolarHBondContact CE2-OG 3.35Å; F292-S296 WeakPolarHBondContact CZ-OG 3.46Å; F292-S296 WeakPolarHBondContact O-CB 3.28Å; F292-S296 PolarHBondContact O-N 3.39Å; F292-S296 PolarHBondContact O-OG 3.43Å
293	L	43.9	Very low	43.2	Very low	51 Å²	51	79.5 Å²	79.5	27%	0.267	37%	0.374	S	S	.	.	H	α-helix	trans	-57.7	-49.2	173.3	-84.7	167.9	0	0	0	111.4	F188 S289 R291 S297	F188-L293 HydrophobicContact CE1-CD2 3.69Å; F188-L293 HydrophobicContact CZ-CD2 4.3Å; S289-L293 WeakPolarHBondContact O-CB 3.28Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.65Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.85Å; L293-S297 WeakPolarHBondContact O-CB 3.48Å; L293-S297 PolarHBondContact O-N 3.17Å; L293-S297 PolarHBondContact O-OG 3.4Å
294	L	46.6	Very low	43.6	Very low	44 Å²	44	71.7 Å²	71.7	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-41.6	179	-74.9	167.4	0	0	0	113.2	W235 H290 R291 S297 L298	W235-L294 HydrophobicContact CH2-CD2 4.37Å; W235-L294 HydrophobicContact CZ3-CD2 4.4Å; H290-L294 WeakPolarHBondContact O-CG 3.16Å; H290-L294 PolarHBondContact O-N 2.82Å; H290-L294 VanDerWaalsContact O-N 3.07Å; R291-L294 PolarHBondContact O-N 3.42Å; R291-L294 VanDerWaalsContact O-N 3.14Å; L294-S297 PolarHBondContact O-OG 2.86Å; L294-L298 VanDerWaalsContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.44Å; L294-L298 PolarHBondContact O-N 3.11Å
295	E	48.8	Very low	44.1	Very low	94 Å²	94	71.9 Å²	71.9	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-44.2	178.3	-72.4	176.5	173.7	0	0	111.1	R291 F292 S297 L298 E299	R291-E295 HydrophobicContact CG-CG 4.37Å; R291-E295 IonicContact CZ-OE1 2.66Å; R291-E295 VanDerWaalsContact CZ-OE1 3.28Å; R291-E295 IonicContact NE-OE1 3.77Å; R291-E295 PolarHBondContact NE-OE1 3.36Å; R291-E295 IonicContact NE-OE2 2.75Å; R291-E295 IonicContact NH2-OE1 2.67Å; R291-E295 PolarHBondContact NH2-OE1 3.4Å; R291-E295 PolarHBondContact O-N 3.24Å; F292-E295 PolarHBondContact O-N 3.34Å; E295-S297 PolarHBondContact O-N 3.4Å; E295-L298 WeakPolarHBondContact O-CB 3.42Å; E295-L298 PolarHBondContact O-N 3.17Å; E295-E299 PolarHBondContact O-N 3.07Å
296	S	44.1	Very low	44.3	Very low	43 Å²	43	71.5 Å²	71.5	30%	0.301	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-37.4	176.3	-63.1	0	0	0	0	113.3	F292 E299 L300	F292-S296 WeakPolarHBondContact CE1-OG 3.21Å; F292-S296 WeakPolarHBondContact CE2-OG 3.35Å; F292-S296 WeakPolarHBondContact CZ-OG 3.46Å; F292-S296 WeakPolarHBondContact O-CB 3.28Å; F292-S296 PolarHBondContact O-N 3.39Å; F292-S296 PolarHBondContact O-OG 3.43Å; S296-E299 PolarHBondContact O-N 3.31Å; S296-L300 WeakPolarHBondContact O-CB 3.35Å; S296-L300 PolarHBondContact O-N 3.19Å
297	S	44.5	Very low	44	Very low	29 Å²	29	68.3 Å²	68.3	20%	0.203	34%	0.335	C	S	.	.	H	α-helix	trans	-82.1	-25.6	178.6	49.7	0	0	0	0	113.4	W235 L293 L294 E295 H301	W235-S297 WeakPolarHBondContact CH2-OG 3.28Å; W235-S297 VanDerWaalsContact CZ3-CB 3.43Å; W235-S297 WeakPolarHBondContact CZ3-OG 3.43Å; L293-S297 WeakPolarHBondContact O-CB 3.48Å; L293-S297 PolarHBondContact O-N 3.17Å; L293-S297 PolarHBondContact O-OG 3.4Å; L294-S297 PolarHBondContact O-OG 2.86Å; E295-S297 PolarHBondContact O-N 3.4Å; S297-H301 VanDerWaalsContact O-CB 3.29Å; S297-H301 WeakPolarHBondContact O-CB 3.49Å; S297-H301 PolarHBondContact O-N 2.92Å
298	L	47.5	Very low	44	Very low	69 Å²	69	73.2 Å²	73.2	36%	0.361	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-44.2	162	-87.2	166.8	0	0	0	111.5	W235 L294 E295 H301 R302	W235-L298 HydrophobicContact CH2-CG 4.13Å; W235-L298 HydrophobicContact CZ2-CB 4.41Å; W235-L298 HydrophobicContact CZ2-CD2 3.94Å; W235-L298 HydrophobicContact CZ2-CG 3.82Å; L294-L298 VanDerWaalsContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.44Å; L294-L298 PolarHBondContact O-N 3.11Å; E295-L298 WeakPolarHBondContact O-CB 3.42Å; E295-L298 PolarHBondContact O-N 3.17Å; L298-H301 PolarHBondContact O-N 2.81Å; L298-R302 WeakPolarHBondContact O-CG 3.26Å; L298-R302 PolarHBondContact O-N 3.33Å
299	E	49.1	Very low	43.5	Very low	83 Å²	83	74.9 Å²	74.9	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-70.1	-40.7	179.6	-161.7	58.5	-151.8	0	0	111.8	E295 S296 H301 R302 N303	E295-E299 PolarHBondContact O-N 3.07Å; S296-E299 PolarHBondContact O-N 3.31Å; E299-H301 VanDerWaalsContact C-N 3.31Å; E299-H301 PolarHBondContact O-N 3.42Å; E299-R302 WeakPolarHBondContact O-CB 3.49Å; E299-R302 PolarHBondContact O-N 2.91Å; E299-R302 VanDerWaalsContact OE2-CD 3.29Å; E299-R302 WeakPolarHBondContact OE2-CD 2.71Å; E299-R302 IonicContact OE2-CZ 2.68Å; E299-R302 IonicContact OE2-NE 2.9Å; E299-R302 IonicContact OE2-NH1 3.5Å; E299-R302 PolarHBondContact OE2-NH1 3.01Å; E299-N303 PolarHBondContact O-N 3.28Å; E299-N303 PolarHBondContact O-ND2 3.14Å; E299-N303 VanDerWaalsContact O-ND2 3.15Å
300	L	44.4	Very low	43	Very low	28 Å²	28	78.7 Å²	78.7	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-53.6	-48.9	166.5	-178.8	73.6	0	0	0	110.9	L214 V218 L231 S296 R302 N303 L304	L214-L300 HydrophobicContact CB-CD1 3.74Å; L214-L300 HydrophobicContact CD1-CD1 4.19Å; L214-L300 HydrophobicContact CD1-CD2 3.99Å; L214-L300 HydrophobicContact CD2-CD2 3.88Å; L214-L300 HydrophobicContact CG-CD1 4.4Å; L214-L300 HydrophobicContact CG-CD2 4.35Å; V218-L300 HydrophobicContact CG2-CD1 4.1Å; L231-L300 HydrophobicContact CD2-CD2 4.23Å; S296-L300 WeakPolarHBondContact O-CB 3.35Å; S296-L300 PolarHBondContact O-N 3.19Å; L300-R302 VanDerWaalsContact C-N 3.33Å; L300-R302 PolarHBondContact O-N 3.34Å; L300-N303 PolarHBondContact O-N 3.24Å; L300-L304 HydrophobicContact CD1-CD1 4.29Å; L300-L304 HydrophobicContact CD1-CG 4.35Å; L300-L304 HydrophobicContact CD2-CD1 4.02Å; L300-L304 HydrophobicContact CG-CD1 3.71Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 WeakPolarHBondContact O-CB 3.02Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.13Å; L300-L304 PolarHBondContact O-N 3.09Å
301	H	46.3	Very low	42.3	Very low	23 Å²	23	79.6 Å²	79.6	11%	0.106	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-36.3	-178	-169.3	76.5	0	0	0	112.6	N232 W235 F236 S297 L298 E299 Q305	N232-H301 PolarHBondContact OD1-CE1 2.84Å; N232-H301 VanDerWaalsContact OD1-CE1 3.27Å; W235-H301 AromaticContact CD1-CE1 3.61Å; W235-H301 AromaticContact CD1-CG 3.6Å; W235-H301 AromaticContact CD1-ND1 3.21Å; W235-H301 AromaticContact NE1-CD2 3.75Å; W235-H301 AromaticContact NE1-CE1 3.96Å; W235-H301 AromaticContact NE1-CG 3.31Å; W235-H301 VanDerWaalsContact NE1-CG 3.31Å; W235-H301 AromaticContact NE1-ND1 3.48Å; W235-H301 PolarHBondContact NE1-ND1 3.26Å; F236-H301 AromaticContact CZ-CE1 3.77Å; S297-H301 VanDerWaalsContact O-CB 3.29Å; S297-H301 WeakPolarHBondContact O-CB 3.49Å; S297-H301 PolarHBondContact O-N 2.92Å; L298-H301 PolarHBondContact O-N 2.81Å; E299-H301 VanDerWaalsContact C-N 3.31Å; E299-H301 PolarHBondContact O-N 3.42Å; H301-Q305 PolarHBondContact CD2-NE2 2.85Å; H301-Q305 PolarHBondContact NE2-NE2 2.92Å; H301-Q305 WeakPolarHBondContact O-CG 3.42Å; H301-Q305 PolarHBondContact O-N 2.76Å
302	R	49.2	Very low	41.6	Very low	130 Å²	130	81.4 Å²	81.4	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-52.2	170.2	-71.7	168.3	-177.7	155.8	2.9	111.1	L298 E299 L300 L304 Q305 H306	L298-R302 WeakPolarHBondContact O-CG 3.26Å; L298-R302 PolarHBondContact O-N 3.33Å; E299-R302 WeakPolarHBondContact O-CB 3.49Å; E299-R302 PolarHBondContact O-N 2.91Å; E299-R302 VanDerWaalsContact OE2-CD 3.29Å; E299-R302 WeakPolarHBondContact OE2-CD 2.71Å; E299-R302 IonicContact OE2-CZ 2.68Å; E299-R302 IonicContact OE2-NE 2.9Å; E299-R302 IonicContact OE2-NH1 3.5Å; E299-R302 PolarHBondContact OE2-NH1 3.01Å; L300-R302 VanDerWaalsContact C-N 3.33Å; L300-R302 PolarHBondContact O-N 3.34Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 3.21Å; R302-Q305 PolarHBondContact O-N 2.91Å; R302-Q305 VanDerWaalsContact O-N 3.14Å; R302-H306 PolarHBondContact O-CD2 2.82Å; R302-H306 PolarHBondContact O-N 3.11Å
303	N	43.1	Very low	41.1	Very low	90 Å²	90	83.3 Å²	83.3	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-38.3	-178.7	-69.4	-35.1	0	0	0	112	E299 L300 H306 S307	E299-N303 PolarHBondContact O-N 3.28Å; E299-N303 PolarHBondContact O-ND2 3.14Å; E299-N303 VanDerWaalsContact O-ND2 3.15Å; L300-N303 PolarHBondContact O-N 3.24Å; N303-H306 PolarHBondContact O-N 2.89Å; N303-S307 WeakPolarHBondContact O-CB 3.5Å; N303-S307 PolarHBondContact O-N 2.94Å
304	L	39.7	Very low	40.6	Very low	10 Å²	10	89 Å²	89	5%	0.052	46%	0.462	C	S	.	.	H	α-helix	trans	-59.9	-46.5	171.1	-74.8	172.4	0	0	0	112.3	V218 Y228 L300 R302 S307	V218-L304 HydrophobicContact CB-CD2 4.04Å; V218-L304 HydrophobicContact CG1-CD2 3.81Å; V218-L304 HydrophobicContact CG2-CD2 3.39Å; V218-L304 HydrophobicContact CG2-CG 4.24Å; Y228-L304 HydrophobicContact CD2-CD1 4.27Å; Y228-L304 HydrophobicContact CD2-CD2 3.82Å; Y228-L304 HydrophobicContact CE2-CB 4.16Å; Y228-L304 HydrophobicContact CE2-CD1 3.88Å; Y228-L304 HydrophobicContact CE2-CD2 3.55Å; Y228-L304 HydrophobicContact CE2-CG 4.06Å; L300-L304 HydrophobicContact CD1-CD1 4.29Å; L300-L304 HydrophobicContact CD1-CG 4.35Å; L300-L304 HydrophobicContact CD2-CD1 4.02Å; L300-L304 HydrophobicContact CG-CD1 3.71Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 WeakPolarHBondContact O-CB 3.02Å; L300-L304 VanDerWaalsContact O-CG 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.13Å; L300-L304 PolarHBondContact O-N 3.09Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 3.21Å; L304-S307 PolarHBondContact O-OG 3.21Å
305	Q	44.5	Very low	40.1	Very low	118 Å²	118	94.1 Å²	94.1	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-65.2	-44.2	175.8	-73.3	-169.2	17.2	0	0	112.5	H301 R302 S307 K308	H301-Q305 PolarHBondContact CD2-NE2 2.85Å; H301-Q305 PolarHBondContact NE2-NE2 2.92Å; H301-Q305 WeakPolarHBondContact O-CG 3.42Å; H301-Q305 PolarHBondContact O-N 2.76Å; R302-Q305 PolarHBondContact O-N 2.91Å; R302-Q305 VanDerWaalsContact O-N 3.14Å; Q305-S307 VanDerWaalsContact C-N 3.31Å; Q305-S307 PolarHBondContact O-N 3.22Å; Q305-K308 PolarHBondContact O-N 3.33Å
306	H	44.9	Very low	39.3	Very low	109 Å²	109	93.3 Å²	93.3	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-70.2	-24.6	-178.2	-70.9	-57.8	0	0	0	113.5	R302 N303 K308 Q309	R302-H306 PolarHBondContact O-CD2 2.82Å; R302-H306 PolarHBondContact O-N 3.11Å; N303-H306 PolarHBondContact O-N 2.89Å; H306-K308 PolarHBondContact O-N 3Å; H306-Q309 PolarHBondContact O-N 3.17Å; H306-Q309 VanDerWaalsContact O-N 3.07Å
307	S	33	Very low	38.7	Very low	39 Å²	39	96.3 Å²	96.3	27%	0.273	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-6.2	173.7	77.9	0	0	0	0	115.3	K221 N303 L304 Q305	K221-S307 PolarHBondContact NZ-OG 2.91Å; N303-S307 WeakPolarHBondContact O-CB 3.5Å; N303-S307 PolarHBondContact O-N 2.94Å; L304-S307 PolarHBondContact O-OG 3.21Å; Q305-S307 VanDerWaalsContact C-N 3.31Å; Q305-S307 PolarHBondContact O-N 3.22Å
308	K	35.9	Very low	37.9	Very low	140 Å²	140	99.6 Å²	99.6	61%	0.609	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	2	174.7	-108.3	-179.5	176	179.3	0	114.5	Q305 H306 T1154	Q305-K308 PolarHBondContact O-N 3.33Å; H306-K308 PolarHBondContact O-N 3Å; K308-T1154 VanDerWaalsContact NZ-C 3.33Å; K308-T1154 PolarHBondContact NZ-O 3.25Å
309	Q	35.1	Very low	37.2	Very low	161 Å²	161	100.1 Å²	100.1	75%	0.752	53%	0.527	S	S	*	.	S	Bend	trans	-125	2.4	-177.8	-71.3	-170.9	-26.7	0	0	115.4	H306 S311	H306-Q309 PolarHBondContact O-N 3.17Å; H306-Q309 VanDerWaalsContact O-N 3.07Å; Q309-S311 PolarHBondContact O-N 3.49Å
310	I	30.7	Very low	36.3	Very low	140 Å²	140	101.2 Å²	101.2	72%	0.718	54%	0.539	S	S	*	.			trans	-94.6	73.9	-177.4	-48.7	-179	0	0	0	110.6
311	S	28.9	Very low	35.6	Very low	92 Å²	92	105.9 Å²	105.9	64%	0.643	56%	0.563	S	S	*	*			trans	-129.1	154.1	156.8	57.6	0	0	0	0	108	Q309	Q309-S311 PolarHBondContact O-N 3.49Å
312	D	28.8	Very low	34.8	Very low	161 Å²	161	110.7 Å²	110.7	86%	0.861	59%	0.589	S	S	*	*	S	Bend	trans	75.1	50	177.4	-48	-26.1	0	0	0	117.5
313	S	34.2	Very low	34	Very low	96 Å²	96	109.3 Å²	109.3	67%	0.671	60%	0.595	S	S	*	*			trans	-157.9	134.8	146	52.4	0	0	0	0	113.9	N315	S313-N315 VanDerWaalsContact C-N 3.26Å; S313-N315 PolarHBondContact O-N 3.14Å; S313-N315 VanDerWaalsContact O-N 3.08Å
314	N	33.7	Very low	33.5	Very low	171 Å²	171	112.1 Å²	112.1	91%	0.914	61%	0.61	S	S	*	*	S	Bend	trans	-82	30.1	-171.4	-83.9	-3	0	0	0	115.3
315	N	35.2	Very low	33.2	Very low	150 Å²	150	115.3 Å²	115.3	80%	0.802	63%	0.633	S	S	*	*			trans	-138.4	87.8	175.9	-80	-52.3	0	0	0	110	S313 P317	S313-N315 VanDerWaalsContact C-N 3.26Å; S313-N315 PolarHBondContact O-N 3.14Å; S313-N315 VanDerWaalsContact O-N 3.08Å; N315-P317 WeakPolarHBondContact O-CD 3.28Å
316	N	32.2	Very low	32.9	Very low	78 Å²	78	113.9 Å²	113.9	42%	0.417	63%	0.633	S	S	.	*			trans	-97.7	113.3	-178.8	-175.3	4.8	0	0	0	111.3	L318 T319	N316-L318 PolarHBondContact O-N 2.95Å; N316-L318 PolarHBondContact OD1-N 2.83Å; N316-L318 VanDerWaalsContact OD1-N 3.14Å; N316-T319 PolarHBondContact ND2-OG1 3.33Å; N316-T319 PolarHBondContact O-N 3.05Å
317	P	31.1	Very low	32.4	Very low	105 Å²	105	116 Å²	116	68%	0.682	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-60.4	-27.7	178.5	-23.6	34.8	0	0	0	114	N315	N315-P317 WeakPolarHBondContact O-CD 3.28Å
318	L	29	Very low	32.7	Very low	98 Å²	98	119.8 Å²	119.8	51%	0.513	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-79.9	-24.8	-176.3	-66	166.7	0	0	0	113	N316 V320 I321	N316-L318 PolarHBondContact O-N 2.95Å; N316-L318 PolarHBondContact OD1-N 2.83Å; N316-L318 VanDerWaalsContact OD1-N 3.14Å; L318-V320 PolarHBondContact O-N 3.27Å; L318-I321 PolarHBondContact O-N 3.21Å
319	T	32.8	Very low	33.1	Very low	81 Å²	81	116.9 Å²	116.9	50%	0.497	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-67.1	-21.7	178.8	-60.4	0	0	0	0	112.7	N316 T323	N316-T319 PolarHBondContact ND2-OG1 3.33Å; N316-T319 PolarHBondContact O-N 3.05Å; T319-T323 WeakPolarHBondContact O-CG2 3.47Å
320	V	29.6	Very low	33.1	Very low	106 Å²	106	112.1 Å²	112.1	64%	0.642	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-78.2	-22.1	178.5	-178.1	0	0	0	0	112.7	L318 T323	L318-V320 PolarHBondContact O-N 3.27Å; V320-T323 PolarHBondContact O-OG1 3.28Å
321	I	29.6	Very low	33.6	Very low	125 Å²	125	108.3 Å²	108.3	64%	0.641	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-38.5	-177.1	-60.5	177.2	0	0	0	110.9	L318 T323	L318-I321 PolarHBondContact O-N 3.21Å; I321-T323 VanDerWaalsContact C-N 3.27Å; I321-T323 PolarHBondContact O-N 3.47Å
322	L	30.4	Very low	34.3	Very low	125 Å²	125	110 Å²	110	65%	0.654	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-2.3	-173.9	-74.8	162.3	0	0	0	115.2
323	T	32.2	Very low	34.9	Very low	101 Å²	101	107 Å²	107	62%	0.62	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-4	-176	48.8	0	0	0	0	115.3	T319 V320 I321	T319-T323 WeakPolarHBondContact O-CG2 3.47Å; V320-T323 PolarHBondContact O-OG1 3.28Å; I321-T323 VanDerWaalsContact C-N 3.27Å; I321-T323 PolarHBondContact O-N 3.47Å
324	N	31.7	Very low	35.1	Very low	148 Å²	148	105.4 Å²	105.4	79%	0.791	57%	0.57	S	S	*	*	S	Bend	trans	-119.5	4.6	-163.2	-101.3	-27	0	0	0	117.5
325	S	33.7	Very low	35.4	Very low	78 Å²	78	101.5 Å²	101.5	55%	0.545	55%	0.549	S	S	.	.	S	Bend	trans	-151.5	144.5	159.1	61.1	0	0	0	0	110
326	T	37.5	Very low	36	Very low	87 Å²	87	99.9 Å²	99.9	53%	0.534	54%	0.539	S	S	.	.			trans	-81.8	137.4	-171	69	0	0	0	0	111.5	N328 E329 L330	T326-N328 PolarHBondContact O-N 3.36Å; T326-E329 WeakPolarHBondContact O-CB 3.43Å; T326-E329 PolarHBondContact O-N 2.93Å; T326-L330 PolarHBondContact O-N 3.3Å
327	F	35.8	Very low	36.2	Very low	154 Å²	154	100.4 Å²	100.4	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-46.2	-38.5	173	174.7	-97	0	0	0	112.9	E329 L330 V331	F327-E329 PolarHBondContact O-N 2.85Å; F327-L330 PolarHBondContact O-N 2.84Å; F327-V331 HydrophobicContact CD1-CG2 4.21Å; F327-V331 HydrophobicContact CE1-CG2 3.88Å; F327-V331 HydrophobicContact CZ-CG2 4.08Å; F327-V331 WeakPolarHBondContact O-CG2 3.29Å; F327-V331 PolarHBondContact O-N 3.27Å
328	N	38.3	Very low	36.5	Very low	119 Å²	119	99.9 Å²	99.9	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-60.8	-41.9	177.6	-62.2	-21.5	0	0	0	113	T326 L330 V331 E332	T326-N328 PolarHBondContact O-N 3.36Å; N328-L330 VanDerWaalsContact C-N 3.26Å; N328-L330 PolarHBondContact O-N 2.77Å; N328-V331 PolarHBondContact O-N 2.86Å; N328-E332 WeakPolarHBondContact O-CB 3.25Å; N328-E332 PolarHBondContact O-N 3.48Å
329	E	43.9	Very low	36.9	Very low	78 Å²	78	99.8 Å²	99.8	36%	0.364	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-30.4	178.2	-162.4	-164.4	152.9	0	0	111.7	T326 F327 K333	T326-E329 WeakPolarHBondContact O-CB 3.43Å; T326-E329 PolarHBondContact O-N 2.93Å; F327-E329 PolarHBondContact O-N 2.85Å; E329-K333 WeakPolarHBondContact O-CD 3.45Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.29Å; E329-K333 PolarHBondContact O-N 3.16Å; E329-K333 WeakPolarHBondContact OE1-CE 3.32Å; E329-K333 IonicContact OE1-NZ 2.88Å; E329-K333 PolarHBondContact OE1-NZ 2.79Å
330	L	35.6	Very low	37.1	Very low	61 Å²	61	100.1 Å²	100.1	32%	0.319	54%	0.539	S	S	.	.	H	α-helix	trans	-77.2	-40.9	177.5	-151.6	161.3	0	0	0	111	F212 T326 F327 N328 E332 K333 L334	F212-L330 HydrophobicContact CE1-CD1 4.31Å; F212-L330 HydrophobicContact CE1-CD2 3.91Å; F212-L330 HydrophobicContact CE2-CD1 4.26Å; F212-L330 HydrophobicContact CZ-CD1 3.74Å; F212-L330 HydrophobicContact CZ-CD2 4.13Å; T326-L330 PolarHBondContact O-N 3.3Å; F327-L330 PolarHBondContact O-N 2.84Å; N328-L330 VanDerWaalsContact C-N 3.26Å; N328-L330 PolarHBondContact O-N 2.77Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-E332 PolarHBondContact O-N 3.49Å; L330-K333 PolarHBondContact O-N 3.04Å; L330-L334 HydrophobicContact CD2-CD1 3.95Å; L330-L334 HydrophobicContact CD2-CG 4.49Å; L330-L334 PolarHBondContact O-N 3.3Å
331	V	41.2	Very low	37.3	Very low	60 Å²	60	98.9 Å²	98.9	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-60.6	-40.3	168.9	171.2	0	0	0	0	111.3	F327 N328 L334 N335	F327-V331 HydrophobicContact CD1-CG2 4.21Å; F327-V331 HydrophobicContact CE1-CG2 3.88Å; F327-V331 HydrophobicContact CZ-CG2 4.08Å; F327-V331 WeakPolarHBondContact O-CG2 3.29Å; F327-V331 PolarHBondContact O-N 3.27Å; N328-V331 PolarHBondContact O-N 2.86Å; V331-L334 PolarHBondContact O-N 2.84Å; V331-N335 WeakPolarHBondContact O-CB 3.35Å; V331-N335 PolarHBondContact O-N 2.88Å; V331-N335 PolarHBondContact O-ND2 3.38Å; V331-N335 VanDerWaalsContact O-ND2 3.07Å
332	E	43.3	Very low	37.6	Very low	129 Å²	129	96.7 Å²	96.7	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-65.8	-41.2	176.9	-167	167.2	-132.8	0	0	111.9	N328 L330 N335 L336	N328-E332 WeakPolarHBondContact O-CB 3.25Å; N328-E332 PolarHBondContact O-N 3.48Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-E332 PolarHBondContact O-N 3.49Å; E332-N335 PolarHBondContact O-N 2.94Å; E332-L336 WeakPolarHBondContact O-CB 3.39Å; E332-L336 WeakPolarHBondContact O-CG 3.5Å; E332-L336 PolarHBondContact O-N 3.34Å
333	K	41.6	Very low	37.6	Very low	98 Å²	98	93 Å²	93	43%	0.426	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-40	173.1	-74.1	164.6	-170.9	168	0	113.1	E329 L330 L336 L337	E329-K333 WeakPolarHBondContact O-CD 3.45Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.29Å; E329-K333 PolarHBondContact O-N 3.16Å; E329-K333 WeakPolarHBondContact OE1-CE 3.32Å; E329-K333 IonicContact OE1-NZ 2.88Å; E329-K333 PolarHBondContact OE1-NZ 2.79Å; L330-K333 PolarHBondContact O-N 3.04Å; K333-L336 PolarHBondContact O-N 3.09Å; K333-L337 PolarHBondContact O-N 2.91Å
334	L	38.3	Very low	37.7	Very low	61 Å²	61	91.6 Å²	91.6	32%	0.319	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-44.4	173.5	-85.6	164.9	0	0	0	111.7	L330 V331 L336 L337 I338	L330-L334 HydrophobicContact CD2-CD1 3.95Å; L330-L334 HydrophobicContact CD2-CG 4.49Å; L330-L334 PolarHBondContact O-N 3.3Å; V331-L334 PolarHBondContact O-N 2.84Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 PolarHBondContact O-N 3Å; L334-L337 PolarHBondContact O-N 3.04Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 3.46Å
335	N	41.1	Very low	37.8	Very low	89 Å²	89	89.5 Å²	89.5	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175	-76.1	-42.4	0	0	0	112.1	V331 E332 I338 S339	V331-N335 WeakPolarHBondContact O-CB 3.35Å; V331-N335 PolarHBondContact O-N 2.88Å; V331-N335 PolarHBondContact O-ND2 3.38Å; V331-N335 VanDerWaalsContact O-ND2 3.07Å; E332-N335 PolarHBondContact O-N 2.94Å; N335-I338 PolarHBondContact O-N 3.29Å; N335-S339 VanDerWaalsContact O-CB 3.27Å; N335-S339 WeakPolarHBondContact O-CB 3.48Å; N335-S339 PolarHBondContact O-N 2.81Å; N335-S339 PolarHBondContact O-OG 3.35Å
336	L	46.3	Very low	37.7	Very low	116 Å²	116	92.2 Å²	92.2	61%	0.607	50%	0.497	S	S	*	.	H	α-helix	trans	-61.6	-40.5	173.7	-84	162.9	0	0	0	112.5	E332 K333 L334 S339 N340	E332-L336 WeakPolarHBondContact O-CB 3.39Å; E332-L336 WeakPolarHBondContact O-CG 3.5Å; E332-L336 PolarHBondContact O-N 3.34Å; K333-L336 PolarHBondContact O-N 3.09Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 PolarHBondContact O-N 3Å; L336-S339 PolarHBondContact O-N 2.9Å; L336-N340 PolarHBondContact O-N 3.27Å
337	L	37.6	Very low	37.4	Very low	90 Å²	90	92.1 Å²	92.1	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-44.4	177.2	-166.2	72.9	0	0	0	111.6	K333 L334 S339 N340	K333-L337 PolarHBondContact O-N 2.91Å; L334-L337 PolarHBondContact O-N 3.04Å; L337-S339 VanDerWaalsContact C-N 3.29Å; L337-S339 PolarHBondContact O-N 3.39Å; L337-N340 PolarHBondContact O-N 2.96Å
338	I	37.2	Very low	37.2	Very low	94 Å²	94	91.5 Å²	91.5	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-67.5	-29.4	176.7	-65.7	164.2	0	0	0	111.8	L334 N335 N340	L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 3.46Å; N335-I338 PolarHBondContact O-N 3.29Å; I338-N340 VanDerWaalsContact C-N 3.3Å; I338-N340 PolarHBondContact O-N 2.8Å
339	S	37.5	Very low	36.8	Very low	96 Å²	96	90 Å²	90	67%	0.671	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.2	179.2	-60	0	0	0	0	114.3	N335 L336 L337 S341	N335-S339 VanDerWaalsContact O-CB 3.27Å; N335-S339 WeakPolarHBondContact O-CB 3.48Å; N335-S339 PolarHBondContact O-N 2.81Å; N335-S339 PolarHBondContact O-OG 3.35Å; L336-S339 PolarHBondContact O-N 2.9Å; L337-S339 VanDerWaalsContact C-N 3.29Å; L337-S339 PolarHBondContact O-N 3.39Å; S339-S341 PolarHBondContact O-N 2.8Å
340	N	36.4	Very low	36.2	Very low	87 Å²	87	91.1 Å²	91.1	47%	0.465	50%	0.503	S	S	.	.			trans	-79.3	121.5	-174.8	-162.5	-6.6	0	0	0	110.9	L336 L337 I338 T342 F343	L336-N340 PolarHBondContact O-N 3.27Å; L337-N340 PolarHBondContact O-N 2.96Å; I338-N340 VanDerWaalsContact C-N 3.3Å; I338-N340 PolarHBondContact O-N 2.8Å; N340-T342 PolarHBondContact O-N 3.28Å; N340-T342 VanDerWaalsContact O-N 3.16Å; N340-T342 PolarHBondContact OD1-OG1 2.66Å; N340-F343 VanDerWaalsContact O-CB 3.24Å; N340-F343 WeakPolarHBondContact O-CB 3.48Å; N340-F343 PolarHBondContact O-N 3.24Å
341	S	33.4	Very low	35.8	Very low	81 Å²	81	93.9 Å²	93.9	57%	0.566	52%	0.517	S	S	*	.	H	α-helix	trans	-60.5	-33	-169.7	62.4	0	0	0	0	113.4	S339 F343 S344 D345	S339-S341 PolarHBondContact O-N 2.8Å; S341-F343 PolarHBondContact O-N 3.27Å; S341-S344 WeakPolarHBondContact O-CA 3.32Å; S341-S344 VanDerWaalsContact O-CB 3.3Å; S341-S344 WeakPolarHBondContact O-CB 3.15Å; S341-S344 PolarHBondContact O-N 3.27Å; S341-D345 PolarHBondContact O-N 3.15Å; S341-D345 VanDerWaalsContact O-N 3.1Å
342	T	36.4	Very low	35.3	Very low	78 Å²	78	98.3 Å²	98.3	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-26.8	175.8	54	0	0	0	0	113.2	N340 S344 L346	N340-T342 PolarHBondContact O-N 3.28Å; N340-T342 VanDerWaalsContact O-N 3.16Å; N340-T342 PolarHBondContact OD1-OG1 2.66Å; T342-S344 VanDerWaalsContact C-N 3.34Å; T342-L346 WeakPolarHBondContact O-CG 3.33Å; T342-L346 PolarHBondContact O-N 3.41Å
343	F	31.8	Very low	34.8	Very low	49 Å²	49	98.7 Å²	98.7	22%	0.215	54%	0.541	C	S	.	.	H	α-helix	trans	-70.8	-32.6	173.8	-159.6	-86.6	0	0	0	111.7	Q186 N340 S341 F347	Q186-F343 HydrophobicContact CG-CZ 4Å; Q186-F343 VanDerWaalsContact NE2-CE1 3.34Å; N340-F343 VanDerWaalsContact O-CB 3.24Å; N340-F343 WeakPolarHBondContact O-CB 3.48Å; N340-F343 PolarHBondContact O-N 3.24Å; S341-F343 PolarHBondContact O-N 3.27Å; F343-F347 HydrophobicContact CD1-CD2 4.36Å; F343-F347 AromaticContact CE1-CD2 3.85Å; F343-F347 HydrophobicContact CE1-CD2 3.85Å; F343-F347 AromaticContact CE1-CE2 3.79Å; F343-F347 HydrophobicContact CE1-CE2 3.79Å; F343-F347 HydrophobicContact CZ-CD2 4.45Å; F343-F347 HydrophobicContact CZ-CE2 4.14Å; F343-F347 PolarHBondContact O-N 3.23Å
344	S	32.7	Very low	34.2	Very low	70 Å²	70	102.8 Å²	102.8	49%	0.49	56%	0.561	S	S	.	*	H	α-helix	trans	-73.7	-41.2	176.1	-158.8	0	0	0	0	112	S341 T342 F347 H348	S341-S344 WeakPolarHBondContact O-CA 3.32Å; S341-S344 VanDerWaalsContact O-CB 3.3Å; S341-S344 WeakPolarHBondContact O-CB 3.15Å; S341-S344 PolarHBondContact O-N 3.27Å; T342-S344 VanDerWaalsContact C-N 3.34Å; S344-F347 PolarHBondContact O-N 3.31Å; S344-H348 PolarHBondContact O-N 3.47Å
345	D	33.5	Very low	33.6	Very low	104 Å²	104	104.9 Å²	104.9	56%	0.556	58%	0.579	S	S	*	*	H	α-helix	trans	-62.2	-44.5	178	-65	-40.5	0	0	0	112	S341 F347 H348 S349	S341-D345 PolarHBondContact O-N 3.15Å; S341-D345 VanDerWaalsContact O-N 3.1Å; D345-F347 VanDerWaalsContact C-N 3.29Å; D345-F347 PolarHBondContact O-N 2.99Å; D345-H348 PolarHBondContact O-N 3.25Å; D345-S349 PolarHBondContact O-N 3.26Å
346	L	32.5	Very low	32.9	Very low	135 Å²	135	109.9 Å²	109.9	71%	0.707	60%	0.597	S	S	*	*	H	α-helix	trans	-60.2	-36.6	176.2	-77.6	167.2	0	0	0	112.7	T342	T342-L346 WeakPolarHBondContact O-CG 3.33Å; T342-L346 PolarHBondContact O-N 3.41Å
347	F	31	Very low	32	Very low	86 Å²	86	112.2 Å²	112.2	38%	0.377	61%	0.609	S	S	.	*	H	α-helix	trans	-71	-33.1	177.9	-113.6	-95.2	0	0	0	113	F343 S344 D345	F343-F347 HydrophobicContact CD1-CD2 4.36Å; F343-F347 AromaticContact CE1-CD2 3.85Å; F343-F347 HydrophobicContact CE1-CD2 3.85Å; F343-F347 AromaticContact CE1-CE2 3.79Å; F343-F347 HydrophobicContact CE1-CE2 3.79Å; F343-F347 HydrophobicContact CZ-CD2 4.45Å; F343-F347 HydrophobicContact CZ-CE2 4.14Å; F343-F347 PolarHBondContact O-N 3.23Å; S344-F347 PolarHBondContact O-N 3.31Å; D345-F347 VanDerWaalsContact C-N 3.29Å; D345-F347 PolarHBondContact O-N 2.99Å
348	H	30.7	Very low	31.5	Very low	141 Å²	141	116.4 Å²	116.4	65%	0.653	63%	0.626	S	S	*	*	H	α-helix	trans	-72	-44.7	-175.4	-106.1	-76.7	0	0	0	113.4	S344 D345 S350 L351	S344-H348 PolarHBondContact O-N 3.47Å; D345-H348 PolarHBondContact O-N 3.25Å; H348-S350 VanDerWaalsContact C-N 3.29Å; H348-S350 PolarHBondContact O-N 2.98Å; H348-L351 PolarHBondContact O-N 3.32Å
349	S	30.1	Very low	31	Very low	88 Å²	88	116.6 Å²	116.6	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-68.5	-22.3	-175.1	-61.6	0	0	0	0	114.8	D345	D345-S349 PolarHBondContact O-N 3.26Å
350	S	31.4	Very low	30.5	Very low	100 Å²	100	123.6 Å²	123.6	70%	0.699	65%	0.647	S	S	*	*	H	α-helix	trans	-82.1	-24.4	178.6	-158.5	0	0	0	0	113.3	H348	H348-S350 VanDerWaalsContact C-N 3.29Å; H348-S350 PolarHBondContact O-N 2.98Å
351	L	28.6	Very low	30	Very low	119 Å²	119	126.3 Å²	126.3	62%	0.623	66%	0.66	S	S	*	*	H	α-helix	trans	-79.6	-30.5	-176.4	-127.5	73.3	0	0	0	113.6	H348 N353	H348-L351 PolarHBondContact O-N 3.32Å; L351-N353 VanDerWaalsContact C-N 3.28Å; L351-N353 PolarHBondContact O-N 2.9Å
352	E	29.9	Very low	29.7	Very low	153 Å²	153	131.6 Å²	131.6	72%	0.715	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-20.3	-168.3	-163.4	166.6	-152.1	0	0	114
353	N	31.8	Very low	29.2	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-7.7	-173.4	-78	-66	0	0	0	115.7	L351	L351-N353 VanDerWaalsContact C-N 3.28Å; L351-N353 PolarHBondContact O-N 2.9Å
354	H	29.4	Very low	29	Very low	183 Å²	183	136 Å²	136	85%	0.847	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-0.8	179.8	-92.3	-71.6	0	0	0	115.9
355	C	25.5	Very low	28.7	Very low	106 Å²	106	138 Å²	138	72%	0.716	73%	0.727	S	S	*	*			trans	-114.2	93.2	178	-69.2	0	0	0	0	112.5
356	K	26.8	Very low	28.4	Very low	193 Å²	193	138.6 Å²	138.6	84%	0.839	74%	0.737	S	S	*	*			trans	-122.7	145.3	163.9	-76.1	-179.1	178	171.6	0	110
357	L	27.1	Very low	28.3	Very low	165 Å²	165	139.1 Å²	139.1	86%	0.864	74%	0.74	S	S	*	*	S	Bend	trans	76.4	125.3	-171.1	-51	166.5	0	0	0	114.5
358	Q	27.3	Very low	28.2	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	76%	0.76	S	S	*	*			cis	-157.7	156.2	-34.4	-124.5	-163.8	-17.8	0	0	107.7
359	P	27.9	Very low	28	Very low	98 Å²	98	142.7 Å²	142.7	64%	0.636	77%	0.766	S	S	*	*			trans	-91.2	149.2	-167.7	35.2	-33.6	0	0	0	113.9
360	Y	25.6	Very low	27.7	Very low	242 Å²	242	143.3 Å²	143.3	95%	0.949	77%	0.771	S	S	*	*			trans	-128.7	97.1	157.8	-123.2	-90.7	0	0	0	110.1
361	I	25.6	Very low	27.5	Very low	145 Å²	145	146 Å²	146	74%	0.744	78%	0.776	S	S	*	*			trans	-110.4	128.1	176.9	-63.2	170.6	0	0	0	108.3
362	K	27.7	Very low	27.4	Very low	191 Å²	191	147 Å²	147	83%	0.83	78%	0.777	S	S	*	*			trans	-173.7	133.9	141.2	-109.6	160	-175.3	176.3	0	113.6
363	S	25.8	Very low	27.2	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	79%	0.787	S	S	*	*			trans	58.1	129.5	153.8	46.2	0	0	0	0	118.2
364	S	27.6	Very low	26.9	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	79%	0.788	S	S	*	*			cis	-147.3	175.8	17.5	-78.8	0	0	0	0	112.9
365	S	26.6	Very low	26.7	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	78%	0.782	S	S	*	*			trans	82.1	60.2	164.5	-50	0	0	0	0	118.9
366	P	27.3	Very low	26.7	Very low	118 Å²	118	149.6 Å²	149.6	77%	0.766	78%	0.779	S	S	*	*			trans	-77.6	137.5	152.6	34.1	-30.8	0	0	0	110.6
367	N	31.7	Very low	26.7	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	77%	0.773	S	S	*	*			trans	-156.6	125.3	162.6	-103.4	-33.1	0	0	0	112
368	L	28.4	Very low	26.6	Very low	150 Å²	150	144.3 Å²	144.3	79%	0.785	76%	0.763	S	S	*	*			trans	41.3	108.4	137.2	-52.9	173.8	0	0	0	117.2
369	L	25.2	Very low	26.7	Very low	151 Å²	151	143 Å²	143	79%	0.791	76%	0.762	S	S	*	*			cis	68.1	115.6	31.1	-146.8	170	0	0	0	113.2
370	S	25.2	Very low	26.8	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	76%	0.763	S	S	*	*			trans	85.8	159.9	-179.8	-53.2	0	0	0	0	117.3
371	I	26.7	Very low	27	Very low	158 Å²	158	139.2 Å²	139.2	81%	0.81	75%	0.753	S	S	*	*			trans	75.4	125.9	-177.9	-49.8	167.7	0	0	0	111.3
372	H	26.9	Very low	27.3	Very low	139 Å²	139	140.3 Å²	140.3	64%	0.644	76%	0.755	S	S	*	*			cis	-140	46.1	30.8	-154	-69	0	0	0	116.1	K374 H375	H372-K374 VanDerWaalsContact C-N 3.3Å; H372-K374 PolarHBondContact CE1-O 3.4Å; H372-K374 PolarHBondContact ND1-O 3.2Å; H372-K374 PolarHBondContact O-N 2.81Å; H372-H375 PolarHBondContact CE1-O 3.41Å
373	L	25	Very low	27.6	Very low	178 Å²	178	137.3 Å²	137.3	93%	0.932	76%	0.757	S	S	*	*	S	Bend	trans	-82.4	64.9	175.1	-118.3	175.6	0	0	0	113.1
374	K	25.1	Very low	27.6	Very low	172 Å²	172	138.7 Å²	138.7	75%	0.748	75%	0.753	S	S	*	*	S	Bend	trans	173.6	156.4	163.4	-101.3	155.2	-173.6	175	0	111.4	H372	H372-K374 VanDerWaalsContact C-N 3.3Å; H372-K374 PolarHBondContact CE1-O 3.4Å; H372-K374 PolarHBondContact ND1-O 3.2Å; H372-K374 PolarHBondContact O-N 2.81Å
375	H	26.9	Very low	27.9	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.727	75%	0.754	S	S	*	*			trans	65.1	148.7	175.8	-60	-72.6	0	0	0	115.3	H372	H372-H375 PolarHBondContact CE1-O 3.41Å
376	I	25.8	Very low	28.2	Very low	128 Å²	128	141.5 Å²	141.5	66%	0.656	75%	0.75	S	S	*	*			cis	-150.4	165.7	-12.4	-121.1	167.3	0	0	0	111.2
377	Q	25.4	Very low	28.5	Very low	151 Å²	151	140.9 Å²	140.9	71%	0.706	75%	0.748	S	S	*	*			trans	-31	165.8	174.4	-54.4	148.3	-94.8	0	0	120.1
378	S	26.1	Very low	28.4	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	75%	0.747	S	S	*	*			trans	70.2	144.4	149.1	43.3	0	0	0	0	119.1
379	D	28.9	Very low	28.4	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	75%	0.745	S	S	*	*			cis	-160.9	162.3	-5.3	-115.9	-32.4	0	0	0	114.2
380	S	30.2	Very low	28.7	Very low	93 Å²	93	139.9 Å²	139.9	65%	0.65	74%	0.739	S	S	*	*			trans	71.6	151.1	161.8	82.5	0	0	0	0	118.6
381	F	30.1	Very low	29.1	Very low	169 Å²	169	140.4 Å²	140.4	74%	0.741	74%	0.738	S	S	*	*			cis	-133.8	131.1	6.5	-97.7	-84.3	0	0	0	113.5
382	Q	32.2	Very low	29.2	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	73%	0.731	S	S	*	*			trans	30.5	123.7	141.7	-57.4	173.2	0.5	0	0	119.6
383	S	32.6	Very low	29.4	Very low	127 Å²	127	139.3 Å²	139.3	89%	0.888	73%	0.734	S	S	*	*				-172.1	178.4	62.7	47	0	0	0	0	113.5
384	M	25.2	Very low	29.6	Very low	140 Å²	140	137.7 Å²	137.7	69%	0.69	72%	0.724	S	S	*	*			trans	-130.4	169.8	-169.4	-120.7	-148.8	151.8	0	0	111.8	K386	M384-K386 HydrophobicContact CE-CB 3.95Å; M384-K386 HydrophobicContact CE-CD 4.29Å; M384-K386 HydrophobicContact CE-CG 3.79Å; M384-K386 HydrophobicContact SD-CB 3.94Å; M384-K386 HydrophobicContact SD-CD 3.64Å; M384-K386 HydrophobicContact SD-CG 3.8Å
385	P	35.2	Very low	29.7	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	72%	0.722	S	S	*	*			cis	-145.9	-163.9	46.8	36.5	-12.7	0	0	0	115.9
386	K	33.3	Very low	29.8	Very low	161 Å²	161	135.1 Å²	135.1	70%	0.7	72%	0.719	S	S	*	*			cis	179.8	160.5	-48.3	-162.6	166.1	-155.7	165.6	0	109.6	M384	M384-K386 HydrophobicContact CE-CB 3.95Å; M384-K386 HydrophobicContact CE-CD 4.29Å; M384-K386 HydrophobicContact CE-CG 3.79Å; M384-K386 HydrophobicContact SD-CB 3.94Å; M384-K386 HydrophobicContact SD-CD 3.64Å; M384-K386 HydrophobicContact SD-CG 3.8Å
387	S	33.6	Very low	30	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	72%	0.72	S	S	*	*			trans	89.2	148.9	167.8	81.4	0	0	0	0	119.8
388	L	27.8	Very low	30.2	Very low	143 Å²	143	133.3 Å²	133.3	75%	0.749	72%	0.719	S	S	*	*			cis	-173	126.9	-33.3	-105	157	0	0	0	110.6
389	L	29.3	Very low	30.4	Very low	143 Å²	143	134.1 Å²	134.1	75%	0.749	72%	0.72	S	S	*	*			trans	63.7	164.7	154.3	-56	166.4	0	0	0	118.1
390	Q	32.4	Very low	30.5	Very low	141 Å²	141	134 Å²	134	66%	0.659	72%	0.72	S	S	*	*			cis	-156.2	155.4	0.6	-160.9	117.6	6.2	0	0	111.4
391	T	32	Very low	30.6	Very low	112 Å²	112	134.6 Å²	134.6	69%	0.687	72%	0.724	S	S	*	*			trans	60.3	154.2	150	41.5	0	0	0	0	121
392	N	29.1	Very low	30.4	Very low	123 Å²	123	132.5 Å²	132.5	66%	0.658	73%	0.73	S	S	*	*			cis	-168.8	169.4	-24.7	-117.6	30.3	0	0	0	110.4
393	E	31	Very low	30.3	Very low	151 Å²	151	131.4 Å²	131.4	71%	0.706	74%	0.735	S	S	*	*			trans	69.2	137.6	154.9	-74.8	143	-121.8	0	0	120.7
394	I	29.7	Very low	29.9	Very low	144 Å²	144	130.3 Å²	130.3	74%	0.738	73%	0.728	S	S	*	*			cis	87.4	117.3	14	-52.9	169.6	0	0	0	113.8
395	E	27.2	Very low	29.9	Very low	151 Å²	151	132.5 Å²	132.5	71%	0.706	73%	0.734	S	S	*	*			cis	-169.5	177.9	-8.8	-133.7	-174.8	119.2	0	0	113.4
396	L	29.7	Very low	29.6	Very low	124 Å²	124	133.2 Å²	133.2	65%	0.649	73%	0.73	S	S	*	*			trans	69.6	128	148.5	-71.1	161.8	0	0	0	123.9
397	N	29.7	Very low	29.4	Very low	127 Å²	127	131.8 Å²	131.8	68%	0.679	73%	0.734	S	S	*	*				96.7	118	128.3	-77.9	-13.7	0	0	0	125.4
398	T	28.4	Very low	29.1	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.693	73%	0.725	S	S	*	*			trans	87.6	116.6	131.2	51.7	0	0	0	0	123.8
399	T	30	Very low	29.3	Very low	113 Å²	113	133.2 Å²	133.2	69%	0.693	73%	0.725	S	S	*	*			trans	60.7	106.8	139.7	58.8	0	0	0	0	121
400	N	30.8	Very low	29.3	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	71%	0.713	S	S	*	*				-179.9	152.2	93.7	-95	-35.7	0	0	0	115.7
401	S	32.6	Very low	29.2	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	72%	0.723	S	S	*	*			trans	33.7	95.9	155.7	61.1	0	0	0	0	119.8	T403	S401-T403 PolarHBondContact O-N 3.25Å
402	S	27.1	Very low	28.9	Very low	126 Å²	126	133.2 Å²	133.2	88%	0.881	73%	0.726	S	S	*	*			trans	-35.2	116.9	166.1	-43.7	0	0	0	0	116.4
403	T	28.9	Very low	28.8	Very low	144 Å²	144	131.1 Å²	131.1	88%	0.883	73%	0.726	S	S	*	*			trans	-132.7	167.8	149.1	36.7	0	0	0	0	109	S401	S401-T403 PolarHBondContact O-N 3.25Å
404	S	25.1	Very low	28.8	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	73%	0.731	S	S	*	*			trans	-88.9	-178.3	-167.1	53.5	0	0	0	0	114.3
405	F	25	Very low	28.8	Very low	186 Å²	186	132.7 Å²	132.7	82%	0.816	73%	0.731	S	S	*	*			trans	92	151.9	144.9	-117.7	-70.5	0	0	0	119.1
406	I	28.7	Very low	28.7	Very low	133 Å²	133	133.3 Å²	133.3	68%	0.682	74%	0.739	S	S	*	*			trans	61.6	143.8	170.4	9.6	-179.9	0	0	0	113.8	E408	I406-E408 HydrophobicContact CG2-CG 4.47Å
407	V	28.8	Very low	28.8	Very low	131 Å²	131	130.9 Å²	130.9	79%	0.794	74%	0.737	S	S	*	*				-166.2	144.3	61.4	155.6	0	0	0	0	105.4
408	E	28.3	Very low	28.9	Very low	117 Å²	117	130.7 Å²	130.7	55%	0.547	74%	0.74	S	S	.	*			cis	-166.5	-176	-16.8	-135.1	-171.5	-116.2	0	0	104.6	I406 N410	I406-E408 HydrophobicContact CG2-CG 4.47Å; E408-N410 PolarHBondContact OE2-ND2 2.98Å
409	Q	31.9	Very low	29.2	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.752	74%	0.738	S	S	*	*			cis	-123.7	157.8	12.2	-76.6	-138.2	-56.7	0	0	109.4
410	N	28.4	Very low	29.5	Very low	93 Å²	93	131.3 Å²	131.3	50%	0.497	74%	0.735	S	S	.	*				63.2	130.6	54.7	-60.2	-28.9	0	0	0	112.8	E408	E408-N410 PolarHBondContact OE2-ND2 2.98Å
411	F	30.3	Very low	29.8	Very low	195 Å²	195	130.3 Å²	130.3	86%	0.855	73%	0.73	S	S	*	*			cis	-151.6	178.5	5.1	-139.9	-135.5	0	0	0	111.5
412	S	25.5	Very low	30	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	73%	0.727	S	S	*	*			trans	-89	163.8	178.7	-171	0	0	0	0	113.2
413	A	28.7	Very low	30.3	Very low	79 Å²	79	129.9 Å²	129.9	65%	0.653	72%	0.717	S	S	*	*			trans	87.5	120.1	153.5	0	0	0	0	0	121
414	K	29.4	Very low	30.6	Very low	187 Å²	187	128.3 Å²	128.3	81%	0.813	71%	0.708	S	S	*	*			trans	80.2	148	138.3	-70.1	171.2	179	177.4	0	120.6
415	N	30.5	Very low	30.9	Very low	140 Å²	140	128.7 Å²	128.7	75%	0.749	71%	0.706	S	S	*	*			trans	73.4	122.5	165.8	-54.3	-23.8	0	0	0	114.7
416	L	25.2	Very low	31.4	Very low	165 Å²	165	125.4 Å²	125.4	86%	0.864	70%	0.701	S	S	*	*			cis	87.5	140.5	43	-173.5	73.5	0	0	0	111.9
417	A	31.8	Very low	31.6	Very low	73 Å²	73	127.4 Å²	127.4	60%	0.603	71%	0.705	S	S	*	*			trans	84.8	115.1	179.2	0	0	0	0	0	113.8
418	T	31.4	Very low	31.7	Very low	123 Å²	123	127.4 Å²	127.4	76%	0.755	70%	0.701	S	S	*	*				88.3	137.3	99.4	57.3	0	0	0	0	112.1
419	D	35.1	Very low	32	Very low	121 Å²	121	127.9 Å²	127.9	65%	0.647	71%	0.707	S	S	*	*			cis	-166.4	155.7	10	-127.2	12.6	0	0	0	112.9
420	N	36.6	Very low	32.1	Very low	117 Å²	117	126.5 Å²	126.5	63%	0.626	70%	0.703	S	S	*	*			trans	60.2	159.1	149	-57.8	-35.8	0	0	0	119.5
421	N	36.6	Very low	32.2	Very low	127 Å²	127	128.6 Å²	128.6	68%	0.679	72%	0.715	S	S	*	*			cis	-165.3	159.4	-30.1	-104	-28.4	0	0	0	107.7
422	T	36.8	Very low	32.2	Very low	112 Å²	112	125.8 Å²	125.8	69%	0.687	71%	0.708	S	S	*	*			cis	-127.4	-126.8	2.9	-24.6	0	0	0	0	109.2
423	T	33.4	Very low	32.4	Very low	110 Å²	110	128.1 Å²	128.1	68%	0.675	71%	0.711	S	S	*	*			cis	-156.8	122.5	2.3	-26	0	0	0	0	110.1
424	T	34.3	Very low	32.4	Very low	112 Å²	112	129.4 Å²	129.4	69%	0.687	71%	0.714	S	S	*	*			trans	38.1	131.3	146.7	61.6	0	0	0	0	121.4
425	T	33.2	Very low	32.2	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.693	72%	0.717	S	S	*	*			cis	-170.5	142.1	6.7	8.2	0	0	0	0	112.6
426	T	33.8	Very low	32.2	Very low	117 Å²	117	126.1 Å²	126.1	72%	0.718	71%	0.713	S	S	*	*			trans	55.7	141.4	149.1	54.9	0	0	0	0	120.1
427	K	33.9	Very low	32.4	Very low	175 Å²	175	124.9 Å²	124.9	76%	0.761	71%	0.707	S	S	*	*			cis	-153.3	142	5.6	-106.7	157	-178.6	-179.9	0	106.3
428	N	31.4	Very low	32.3	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	71%	0.714	S	S	*	*				53.8	127.2	90	-79.1	68.9	0	0	0	113.1
429	D	34.9	Very low	32.2	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	71%	0.712	S	S	*	*			cis	-146.6	136.8	31.2	-79.4	-50	0	0	0	113.2
430	I	32.9	Very low	31.7	Very low	132 Å²	132	129.3 Å²	129.3	68%	0.677	72%	0.72	S	S	*	*				89.6	102.1	101.1	-64.2	174.7	0	0	0	117.2
431	N	30	Very low	31.2	Very low	138 Å²	138	128.9 Å²	128.9	74%	0.738	73%	0.726	S	S	*	*			trans	68.6	150.6	135.7	-63.1	-0.6	0	0	0	125.1
432	N	31.4	Very low	30.7	Very low	135 Å²	135	130.2 Å²	130.2	72%	0.722	73%	0.732	S	S	*	*			trans	73.3	96.1	159.4	-60.8	-11.4	0	0	0	116.6
433	I	28.6	Very low	30.2	Very low	158 Å²	158	129.6 Å²	129.6	81%	0.81	73%	0.732	S	S	*	*				97.4	133.1	67.3	-80.7	167.9	0	0	0	110.7
434	C	28.3	Very low	29.9	Very low	105 Å²	105	132 Å²	132	71%	0.709	74%	0.738	S	S	*	*			trans	-88.7	169.9	-160.2	-48.1	0	0	0	0	115.1
435	D	26.7	Very low	29.5	Very low	164 Å²	164	133 Å²	133	88%	0.877	74%	0.737	S	S	*	*			trans	63.6	110.5	148.9	-54.1	-26.4	0	0	0	119
436	S	29.1	Very low	29.3	Very low	95 Å²	95	133 Å²	133	66%	0.664	74%	0.737	S	S	*	*			trans	-134.4	134.6	175.7	66.9	0	0	0	0	111.8
437	N	31.2	Very low	29	Very low	138 Å²	138	132 Å²	132	74%	0.738	74%	0.736	S	S	*	*			trans	79.5	128	155.7	-45.4	-34.2	0	0	0	115.9
438	I	28.6	Very low	28.7	Very low	146 Å²	146	129.7 Å²	129.7	75%	0.749	73%	0.732	S	S	*	*			cis	68.3	147.7	21.8	-41.3	170.8	0	0	0	111.2
439	P	28.9	Very low	28.7	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	74%	0.738	S	S	*	*			cis	-107.4	178.2	-3.1	13.2	12.9	0	0	0	112.8
440	L	25.5	Very low	28.4	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	73%	0.732	S	S	*	*			cis	78.8	145.7	36.5	-94.1	168.1	0	0	0	116.6
441	S	26.8	Very low	28.3	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	74%	0.736	S	S	*	*			trans	62.3	133.1	177.3	47.8	0	0	0	0	118.4
442	L	24.5	Very low	28.2	Very low	154 Å²	154	129.5 Å²	129.5	81%	0.806	74%	0.735	S	S	*	*			cis	93.1	104.5	25.7	-176.5	74.3	0	0	0	115
443	S	27.7	Very low	28.1	Very low	100 Å²	100	128.8 Å²	128.8	70%	0.699	73%	0.73	S	S	*	*			trans	-178.5	118.3	140.2	59.1	0	0	0	0	108.9
444	M	25.9	Very low	28.4	Very low	159 Å²	159	129 Å²	129	78%	0.783	73%	0.727	S	S	*	*				75.1	147.3	93	-68.6	178.5	-177.3	0	0	113.7
445	I	27	Very low	28.5	Very low	133 Å²	133	131.2 Å²	131.2	68%	0.682	73%	0.725	S	S	*	*			cis	-160.8	152.7	9.3	-129.5	166.4	0	0	0	111.8
446	T	28.1	Very low	28.6	Very low	113 Å²	113	128.8 Å²	128.8	69%	0.693	71%	0.712	S	S	*	*			trans	58.9	126.6	155.6	56.5	0	0	0	0	120.5
447	S	27.3	Very low	28.6	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	72%	0.716	S	S	*	*				76.4	151.9	78.1	-62.8	0	0	0	0	114.4
448	D	27.9	Very low	28.4	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	72%	0.718	S	S	*	*			cis	-165.3	172.3	-13.2	-114.8	-57	0	0	0	109.8
449	Q	31.2	Very low	28.4	Very low	177 Å²	177	129.8 Å²	129.8	83%	0.827	72%	0.717	S	S	*	*			trans	65.2	160.4	156.6	-70.8	157.6	47.3	0	0	118.6
450	A	29	Very low	28.4	Very low	67 Å²	67	131.6 Å²	131.6	55%	0.554	72%	0.72	S	S	*	*			cis	-171.2	172.4	-32	0	0	0	0	0	109.2
451	N	31	Very low	28.7	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	72%	0.721	S	S	*	*			trans	73.3	150.1	152	-59.4	-26.9	0	0	0	119.3
452	L	28.5	Very low	29.1	Very low	135 Å²	135	131.2 Å²	131.2	71%	0.707	72%	0.716	S	S	*	*			cis	-168.4	161.9	-22.6	-112.4	172.2	0	0	0	109.8
453	L	29	Very low	29.6	Very low	120 Å²	120	132.3 Å²	132.3	63%	0.628	72%	0.717	S	S	*	*			trans	68.7	118.7	150.4	-64.4	159	0	0	0	122.7
454	H	33.7	Very low	29.6	Very low	162 Å²	162	135.5 Å²	135.5	75%	0.75	72%	0.721	S	S	*	*			trans	67.5	164.6	131.6	-67.8	-17.8	0	0	0	122.2
455	K	30.4	Very low	29.7	Very low	153 Å²	153	133 Å²	133	67%	0.665	72%	0.715	S	S	*	*			cis	-176.6	153.1	-49.4	-126	-173.1	156.9	-95	0	109.6
456	D	29.2	Very low	29.9	Very low	113 Å²	113	134.8 Å²	134.8	60%	0.604	73%	0.725	S	S	*	*			trans	47.1	112.7	153	-49.8	-20.4	0	0	0	122.3
457	S	29.8	Very low	29.8	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	72%	0.722	S	S	*	*			trans	151.1	116.6	132.9	-69.4	0	0	0	0	111.2
458	I	27.2	Very low	29.7	Very low	152 Å²	152	136.1 Å²	136.1	78%	0.779	72%	0.724	S	S	*	*				84	139.6	66.6	-67.4	162.1	0	0	0	113
459	I	27.8	Very low	29.7	Very low	139 Å²	139	137.8 Å²	137.8	71%	0.713	73%	0.733	S	S	*	*			trans	100.7	95.8	170.4	-72.8	146.4	0	0	0	120.1
460	N	28.6	Very low	29.4	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	73%	0.728	S	S	*	*				67.1	127.6	123.6	-50.6	-4.7	0	0	0	125.7
461	D	31.4	Very low	29.3	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	74%	0.743	S	S	*	*			trans	-65.5	-174.6	145.6	-103.1	-46.9	0	0	0	112.4
462	P	35.2	Very low	29.1	Very low	100 Å²	100	139.3 Å²	139.3	65%	0.649	73%	0.733	S	S	*	*			cis	-139.6	-174.9	14.5	44.6	-27	0	0	0	116.4
463	H	34.9	Very low	29	Very low	178 Å²	178	138.6 Å²	138.6	82%	0.824	73%	0.73	S	S	*	*				-170.3	145.2	117.4	-118.3	-84.4	0	0	0	116
464	E	28.8	Very low	29	Very low	166 Å²	166	139.2 Å²	139.2	78%	0.776	73%	0.729	S	S	*	*			trans	-85.7	-179.9	161.3	-50.3	175.7	122.8	0	0	110
465	T	27.9	Very low	28.8	Very low	107 Å²	107	136 Å²	136	66%	0.656	73%	0.725	S	S	*	*			cis	-162.9	155.6	11.6	-21.3	0	0	0	0	108.7
466	L	30.3	Very low	28.7	Very low	171 Å²	171	134.8 Å²	134.8	90%	0.895	73%	0.726	S	S	*	*			trans	-167.5	166.5	132.3	-132.2	70.7	0	0	0	112.7
467	T	26.5	Very low	28.7	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	73%	0.73	S	S	*	*			trans	-123	165.7	-162.3	55.1	0	0	0	0	113.9
468	N	24.9	Very low	28.7	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	74%	0.735	S	S	*	*			trans	53.9	119	155.6	-58.2	-14.2	0	0	0	118.8
469	N	28.7	Very low	29	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	73%	0.733	S	S	*	*				-171	158.7	100.1	-97.6	-45.8	0	0	0	114.9
470	V	25.6	Very low	29	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	74%	0.736	S	S	*	*			trans	-56	137.7	168.2	172.1	0	0	0	0	111.6
471	Y	26.6	Very low	29	Very low	219 Å²	219	141.6 Å²	141.6	86%	0.859	74%	0.739	S	S	*	*				-166.8	144.8	128	-119.2	-84.6	0	0	0	111.8
472	S	25.1	Very low	29	Very low	80 Å²	80	140.3 Å²	140.3	56%	0.559	74%	0.737	S	S	*	*			trans	-90.5	162.3	172.1	-60.4	0	0	0	0	111.7
473	D	27.6	Very low	28.9	Very low	120 Å²	120	141.5 Å²	141.5	64%	0.642	74%	0.743	S	S	*	*			trans	38.3	115.4	154.7	-62.9	-53.4	0	0	0	119.1
474	H	28.9	Very low	28.7	Very low	132 Å²	132	139.7 Å²	139.7	61%	0.611	74%	0.744	S	S	*	*				-171.4	117.7	116.5	-99.6	-65	0	0	0	113.1	N696	H474-N696 PolarHBondContact NE2-ND2 3.25Å
475	S	28.4	Very low	28.8	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	75%	0.748	S	S	*	*			trans	73.2	171.2	131	90.2	0	0	0	0	118.5
476	N	30.1	Very low	29.1	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	75%	0.753	S	S	*	*			cis	-149.2	146.5	2.5	-131.3	-15	0	0	0	113.7
477	L	28.7	Very low	29.4	Very low	133 Å²	133	141 Å²	141	70%	0.696	75%	0.746	S	S	*	*			trans	17.2	123.9	146	-63.4	166.1	0	0	0	121.8
478	L	30.5	Very low	29.8	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	75%	0.752	S	S	*	*				-163.1	141.1	116	-120.4	71	0	0	0	105.6
479	L	31.6	Very low	30.3	Very low	139 Å²	139	141.1 Å²	141.1	73%	0.728	75%	0.748	S	S	*	*	S	Bend	cis	-150.6	149.9	19	-172.5	76.4	0	0	0	109.1
480	N	29.4	Very low	30.4	Very low	147 Å²	147	140 Å²	140	79%	0.786	74%	0.742	S	S	*	*			trans	147.8	99.7	150.8	-78.4	-11.2	0	0	0	111.3
481	Y	27.4	Very low	30.7	Very low	219 Å²	219	141 Å²	141	86%	0.859	74%	0.739	S	S	*	*			trans	-135	123.2	168.8	-104.7	-77.4	0	0	0	109.2
482	T	31.5	Very low	31	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	73%	0.728	S	S	*	*			trans	-146.7	162.5	168.3	44.8	0	0	0	0	109.6
483	T	32.9	Very low	31.4	Very low	126 Å²	126	138.8 Å²	138.8	77%	0.773	74%	0.735	S	S	*	*			trans	63.9	59.4	174.7	65.2	0	0	0	0	117.7
484	T	31.7	Very low	31.6	Very low	139 Å²	139	139 Å²	139	85%	0.853	74%	0.736	S	S	*	*				38.4	126.4	120.6	58.2	0	0	0	0	120.8
485	N	31	Very low	31.8	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	74%	0.741	S	S	*	*			trans	-107.9	176.9	160.8	-157	-4.5	0	0	0	111.3
486	K	33.6	Very low	31.9	Very low	173 Å²	173	141.1 Å²	141.1	75%	0.752	75%	0.748	S	S	*	*			trans	-91.4	161.9	-163.5	-57.9	174.1	178.6	171.7	0	115.7
487	N	36.2	Very low	32.2	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	75%	0.751	S	S	*	*			trans	68.8	146.7	163	-58.3	2.7	0	0	0	115.4
488	D	35.1	Very low	32.4	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	76%	0.757	S	S	*	*			cis	-139.4	174	2.4	-106.9	-40.8	0	0	0	110.7
489	P	35.6	Very low	32.6	Very low	100 Å²	100	139.1 Å²	139.1	65%	0.649	75%	0.747	S	S	*	*			trans	-96.7	178.1	-162.5	38.7	-39	0	0	0	117
490	N	31.3	Very low	32.9	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	75%	0.752	S	S	*	*			trans	73	142.1	171.9	-71.7	32.1	0	0	0	116.6
491	E	32.4	Very low	33.3	Very low	144 Å²	144	141.9 Å²	141.9	67%	0.673	75%	0.754	S	S	*	*			cis	-156.4	143.4	-6.6	-127.1	-178.9	114.3	0	0	114.2
492	N	31.3	Very low	33.9	Very low	118 Å²	118	138 Å²	138	63%	0.631	75%	0.747	S	S	*	*			trans	54	139.4	139.8	-80.6	-29.3	0	0	0	124
493	N	34.6	Very low	34	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	75%	0.745	S	S	*	*			trans	80.1	145.5	150.3	-66.4	-38	0	0	0	121.1
494	N	31.3	Very low	34.2	Very low	123 Å²	123	135.4 Å²	135.4	66%	0.658	73%	0.728	S	S	*	*			cis	-171.6	179.5	-32.4	-137.4	-48.2	0	0	0	110.3
495	I	33.6	Very low	34.4	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	72%	0.722	S	S	*	*			trans	64.3	99.5	154.2	-67.6	162.1	0	0	0	116
496	T	31	Very low	34.6	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	72%	0.716	S	S	*	*				81.4	135.4	62.8	65.9	0	0	0	0	117.1
497	G	34.7	Very low	35	Very low	73 Å²	73	129.5 Å²	129.5	75%	0.753	70%	0.7	S	S	*	*			trans	117	99.6	179.3	0	0	0	0	0	110.8
498	K	33	Very low	35.1	Very low	188 Å²	188	128.4 Å²	128.4	82%	0.817	69%	0.691	S	S	*	*			cis	79.4	124.6	32.9	-137.3	-172.6	-169.2	-174.9	0	113.7
499	D	34.6	Very low	35.6	Very low	122 Å²	122	124.5 Å²	124.5	65%	0.652	68%	0.678	S	S	*	*			trans	66.2	128.7	174.7	-47.5	-47.4	0	0	0	115.2
500	N	39.5	Very low	35.6	Very low	154 Å²	154	127.4 Å²	127.4	82%	0.824	68%	0.677	S	S	*	*				-141.1	152.9	51.4	-80.2	-86.6	0	0	0	115.1
501	K	37.5	Very low	36.1	Very low	191 Å²	191	126.8 Å²	126.8	83%	0.83	67%	0.669	S	S	*	*			trans	-112	54.2	-156	-163.9	180	179.2	-179.9	0	113.9
502	I	38.6	Very low	36.5	Very low	137 Å²	137	123.4 Å²	123.4	70%	0.703	66%	0.655	S	S	*	*			trans	-112	-34.6	-174.8	-65.1	177.2	0	0	0	113.4	S504	I502-S504 VanDerWaalsContact C-N 3.33Å; I502-S504 PolarHBondContact O-N 2.65Å
503	N	34	Very low	37.2	Very low	139 Å²	139	120.6 Å²	120.6	74%	0.743	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	11	-175.5	-75	-8.7	0	0	0	115.8	T507	N503-T507 WeakPolarHBondContact O-CB 3.15Å; N503-T507 PolarHBondContact O-OG1 3.14Å
504	S	37.6	Very low	37.6	Very low	60 Å²	60	117.6 Å²	117.6	42%	0.42	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	-50.7	177.3	121.6	0	0	0	0	112.5	I502 L506 T507 E508	I502-S504 VanDerWaalsContact C-N 3.33Å; I502-S504 PolarHBondContact O-N 2.65Å; S504-L506 PolarHBondContact O-N 2.85Å; S504-T507 PolarHBondContact O-N 2.96Å; S504-E508 WeakPolarHBondContact O-CB 3.31Å; S504-E508 PolarHBondContact O-N 3.4Å
505	L	36.9	Very low	38	Very low	139 Å²	139	117.6 Å²	117.6	73%	0.728	62%	0.622	S	S	*	*	H	α-helix	trans	-66.9	-36.9	-172.4	-77.6	166.9	0	0	0	114	A509	L505-A509 WeakPolarHBondContact O-CB 3.5Å; L505-A509 PolarHBondContact O-N 3.07Å; L505-A509 VanDerWaalsContact O-N 3.12Å
506	L	34.9	Very low	38.3	Very low	140 Å²	140	115.4 Å²	115.4	73%	0.733	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-39.1	175.9	-164.1	71.8	0	0	0	111.4	S504 Y510	S504-L506 PolarHBondContact O-N 2.85Å; L506-Y510 WeakPolarHBondContact O-CB 3.35Å; L506-Y510 PolarHBondContact O-N 2.59Å
507	T	40.9	Very low	38.4	Very low	69 Å²	69	117.1 Å²	117.1	42%	0.423	60%	0.604	S	S	.	*	H	α-helix	trans	-67.4	-38.8	178.7	-54.4	0	0	0	0	111.4	N503 S504 Y510 F511	N503-T507 WeakPolarHBondContact O-CB 3.15Å; N503-T507 PolarHBondContact O-OG1 3.14Å; S504-T507 PolarHBondContact O-N 2.96Å; T507-Y510 PolarHBondContact O-N 3.34Å; T507-F511 HydrophobicContact CG2-CD2 3.8Å; T507-F511 HydrophobicContact CG2-CE2 4.1Å; T507-F511 WeakPolarHBondContact O-CB 3.4Å; T507-F511 WeakPolarHBondContact O-CD2 3.36Å; T507-F511 PolarHBondContact O-N 3.38Å
508	E	39.6	Very low	38.5	Very low	117 Å²	117	119.1 Å²	119.1	55%	0.547	59%	0.594	S	S	.	*	H	α-helix	trans	-73.2	-35.8	179	-163.5	144.2	-145	0	0	112	S504 N512	S504-E508 WeakPolarHBondContact O-CB 3.31Å; S504-E508 PolarHBondContact O-N 3.4Å; E508-N512 WeakPolarHBondContact O-CB 3.16Å; E508-N512 VanDerWaalsContact O-CG 3.3Å; E508-N512 PolarHBondContact O-N 2.93Å; E508-N512 PolarHBondContact O-ND2 3.02Å
509	A	44.6	Very low	38.8	Very low	60 Å²	60	115.7 Å²	115.7	50%	0.496	58%	0.584	S	S	.	*	H	α-helix	trans	-63.4	-41.6	167.5	0	0	0	0	0	112.3	L505 S513	L505-A509 WeakPolarHBondContact O-CB 3.5Å; L505-A509 PolarHBondContact O-N 3.07Å; L505-A509 VanDerWaalsContact O-N 3.12Å; A509-S513 WeakPolarHBondContact O-CB 3.47Å; A509-S513 PolarHBondContact O-N 3.09Å
510	Y	36	Very low	38.9	Very low	160 Å²	160	115.2 Å²	115.2	63%	0.627	58%	0.582	S	S	*	*	H	α-helix	trans	-71.2	-39.9	179.8	-159.7	-110.9	0	0	0	112.4	L506 T507 I514	L506-Y510 WeakPolarHBondContact O-CB 3.35Å; L506-Y510 PolarHBondContact O-N 2.59Å; T507-Y510 PolarHBondContact O-N 3.34Å; Y510-I514 HydrophobicContact CD1-CD1 3.63Å; Y510-I514 HydrophobicContact CE1-CD1 3.45Å; Y510-I514 VanDerWaalsContact CE1-CD1 3.45Å; Y510-I514 HydrophobicContact CG-CD1 4.42Å; Y510-I514 WeakPolarHBondContact O-CB 3.49Å; Y510-I514 VanDerWaalsContact O-CG1 3.3Å; Y510-I514 WeakPolarHBondContact O-CG1 3.46Å; Y510-I514 PolarHBondContact O-N 3.22Å
511	F	41.9	Very low	38.8	Very low	123 Å²	123	112.6 Å²	112.6	54%	0.539	57%	0.568	S	S	.	*	H	α-helix	trans	-72.3	-31.8	175.9	-96.2	-86	0	0	0	113.6	T507 K515	T507-F511 HydrophobicContact CG2-CD2 3.8Å; T507-F511 HydrophobicContact CG2-CE2 4.1Å; T507-F511 WeakPolarHBondContact O-CB 3.4Å; T507-F511 WeakPolarHBondContact O-CD2 3.36Å; T507-F511 PolarHBondContact O-N 3.38Å; F511-K515 WeakPolarHBondContact O-CB 3.44Å; F511-K515 WeakPolarHBondContact O-CG 3.4Å; F511-K515 PolarHBondContact O-N 3.09Å
512	N	40.6	Very low	38.9	Very low	72 Å²	72	107.3 Å²	107.3	39%	0.385	55%	0.546	S	S	.	.	H	α-helix	trans	-74.5	-41.7	172.1	-69.5	-27.3	0	0	0	111	E508 I514 K515 D516	E508-N512 WeakPolarHBondContact O-CB 3.16Å; E508-N512 VanDerWaalsContact O-CG 3.3Å; E508-N512 PolarHBondContact O-N 2.93Å; E508-N512 PolarHBondContact O-ND2 3.02Å; N512-I514 VanDerWaalsContact C-N 3.31Å; N512-I514 PolarHBondContact O-N 2.92Å; N512-K515 PolarHBondContact O-N 3.02Å; N512-K515 VanDerWaalsContact O-N 3.1Å; N512-D516 PolarHBondContact O-N 2.71Å
513	S	45.6	Very low	39	Very low	60 Å²	60	106 Å²	106	42%	0.42	54%	0.536	S	S	.	.	H	α-helix	trans	-58.2	-40.9	170.8	-174.3	0	0	0	0	112.5	A509 D516 Y517	A509-S513 WeakPolarHBondContact O-CB 3.47Å; A509-S513 PolarHBondContact O-N 3.09Å; S513-D516 PolarHBondContact O-N 3.41Å; S513-Y517 WeakPolarHBondContact O-CB 3.39Å; S513-Y517 PolarHBondContact O-N 3.31Å
514	I	42.8	Very low	39.3	Very low	70 Å²	70	106.6 Å²	106.6	36%	0.359	54%	0.535	S	S	.	.	H	α-helix	trans	-67.4	-41.8	172.8	-74.5	172	0	0	0	111.4	Y510 N512 D516 H518	Y510-I514 HydrophobicContact CD1-CD1 3.63Å; Y510-I514 HydrophobicContact CE1-CD1 3.45Å; Y510-I514 VanDerWaalsContact CE1-CD1 3.45Å; Y510-I514 HydrophobicContact CG-CD1 4.42Å; Y510-I514 WeakPolarHBondContact O-CB 3.49Å; Y510-I514 VanDerWaalsContact O-CG1 3.3Å; Y510-I514 WeakPolarHBondContact O-CG1 3.46Å; Y510-I514 PolarHBondContact O-N 3.22Å; N512-I514 VanDerWaalsContact C-N 3.31Å; N512-I514 PolarHBondContact O-N 2.92Å; I514-D516 VanDerWaalsContact C-N 3.32Å; I514-D516 PolarHBondContact O-N 2.75Å; I514-H518 WeakPolarHBondContact O-CA 3.45Å; I514-H518 WeakPolarHBondContact O-CB 3.35Å; I514-H518 PolarHBondContact O-N 2.92Å
515	K	39.3	Very low	39.5	Very low	123 Å²	123	109.1 Å²	109.1	54%	0.535	54%	0.543	S	S	.	.	H	α-helix	trans	-58.4	-45.2	173.2	-80.9	172.6	179.4	172.7	0	111.1	F511 N512 H518 L519	F511-K515 WeakPolarHBondContact O-CB 3.44Å; F511-K515 WeakPolarHBondContact O-CG 3.4Å; F511-K515 PolarHBondContact O-N 3.09Å; N512-K515 PolarHBondContact O-N 3.02Å; N512-K515 VanDerWaalsContact O-N 3.1Å; K515-H518 PolarHBondContact O-N 3.08Å; K515-L519 WeakPolarHBondContact O-CB 3.29Å; K515-L519 WeakPolarHBondContact O-CD1 3.41Å; K515-L519 WeakPolarHBondContact O-CG 3.36Å; K515-L519 PolarHBondContact O-N 3.44Å
516	D	39.8	Very low	40.1	Very low	93 Å²	93	106 Å²	106	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-73	-38.9	-176.7	-64.1	-29.5	0	0	0	112.5	N512 S513 I514 N520	N512-D516 PolarHBondContact O-N 2.71Å; S513-D516 PolarHBondContact O-N 3.41Å; I514-D516 VanDerWaalsContact C-N 3.32Å; I514-D516 PolarHBondContact O-N 2.75Å; D516-N520 WeakPolarHBondContact O-CB 3.35Å; D516-N520 PolarHBondContact O-N 3.46Å; D516-N520 VanDerWaalsContact O-N 3.08Å; D516-N520 PolarHBondContact O-ND2 2.81Å
517	Y	34.8	Very low	40.8	Very low	169 Å²	169	104.6 Å²	104.6	66%	0.663	52%	0.515	S	S	*	.	H	α-helix	trans	-69.7	-37.8	172.9	-98.5	-97.4	0	0	0	112.9	S513 N521	S513-Y517 WeakPolarHBondContact O-CB 3.39Å; S513-Y517 PolarHBondContact O-N 3.31Å; Y517-N521 WeakPolarHBondContact O-CB 3.09Å; Y517-N521 PolarHBondContact O-N 2.69Å; Y517-N521 PolarHBondContact O-ND2 2.73Å
518	H	36.9	Very low	41.1	Very low	116 Å²	116	107.7 Å²	107.7	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-86.8	-14.3	-176.8	-146.6	-63.9	0	0	0	112.9	I514 K515 H522	I514-H518 WeakPolarHBondContact O-CA 3.45Å; I514-H518 WeakPolarHBondContact O-CB 3.35Å; I514-H518 PolarHBondContact O-N 2.92Å; K515-H518 PolarHBondContact O-N 3.08Å; H518-H522 AromaticContact CE1-CD2 3.31Å; H518-H522 PolarHBondContact CE1-CD2 3.17Å; H518-H522 AromaticContact CE1-NE2 3.2Å; H518-H522 PolarHBondContact CE1-NE2 2.99Å; H518-H522 AromaticContact ND1-CD2 3.27Å; H518-H522 PolarHBondContact ND1-CD2 3.22Å; H518-H522 VanDerWaalsContact ND1-CD2 3.27Å; H518-H522 AromaticContact ND1-NE2 3.68Å; H518-H522 WeakPolarHBondContact O-CB 3.49Å
519	L	37.5	Very low	41.4	Very low	115 Å²	115	109.7 Å²	109.7	60%	0.602	53%	0.526	S	S	*	.	H	α-helix	trans	-79.7	-47.1	163.3	-76	167.1	0	0	0	110.8	K515 H523	K515-L519 WeakPolarHBondContact O-CB 3.29Å; K515-L519 WeakPolarHBondContact O-CD1 3.41Å; K515-L519 WeakPolarHBondContact O-CG 3.36Å; K515-L519 PolarHBondContact O-N 3.44Å; L519-H523 WeakPolarHBondContact O-CB 3.16Å; L519-H523 PolarHBondContact O-N 3.3Å
520	N	37.8	Very low	41.8	Very low	113 Å²	113	111.5 Å²	111.5	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-68.9	-44.3	-177	-75.1	-59.2	0	0	0	113.2	D516 H523	D516-N520 WeakPolarHBondContact O-CB 3.35Å; D516-N520 PolarHBondContact O-N 3.46Å; D516-N520 VanDerWaalsContact O-N 3.08Å; D516-N520 PolarHBondContact O-ND2 2.81Å; N520-H523 PolarHBondContact O-N 3.01Å; N520-H523 VanDerWaalsContact O-N 3.1Å
521	N	38.1	Very low	42.4	Very low	99 Å²	99	107.2 Å²	107.2	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-77.4	-20.7	179.9	-69.3	-80.7	0	0	0	114	Y517 N525	Y517-N521 WeakPolarHBondContact O-CB 3.09Å; Y517-N521 PolarHBondContact O-N 2.69Å; Y517-N521 PolarHBondContact O-ND2 2.73Å; N521-N525 PolarHBondContact O-ND2 2.96Å; N521-N525 VanDerWaalsContact O-ND2 3.14Å
522	H	39.4	Very low	42.5	Very low	79 Å²	79	108.7 Å²	108.7	37%	0.366	51%	0.513	S	S	.	.	H	α-helix	trans	-80.3	-20.6	164.3	-91.9	-102.2	0	0	0	112.7	H518 E524 N525 I526	H518-H522 AromaticContact CE1-CD2 3.31Å; H518-H522 PolarHBondContact CE1-CD2 3.17Å; H518-H522 AromaticContact CE1-NE2 3.2Å; H518-H522 PolarHBondContact CE1-NE2 2.99Å; H518-H522 AromaticContact ND1-CD2 3.27Å; H518-H522 PolarHBondContact ND1-CD2 3.22Å; H518-H522 VanDerWaalsContact ND1-CD2 3.27Å; H518-H522 AromaticContact ND1-NE2 3.68Å; H518-H522 WeakPolarHBondContact O-CB 3.49Å; H522-E524 PolarHBondContact O-N 3.26Å; H522-N525 PolarHBondContact O-N 3.49Å; H522-I526 HydrophobicContact CB-CD1 3.76Å; H522-I526 HydrophobicContact CB-CG1 3.92Å; H522-I526 WeakPolarHBondContact ND1-CG1 3.19Å; H522-I526 WeakPolarHBondContact O-CA 3.32Å; H522-I526 WeakPolarHBondContact O-CB 3.35Å; H522-I526 VanDerWaalsContact O-CG1 3.3Å; H522-I526 WeakPolarHBondContact O-CG1 3.32Å; H522-I526 PolarHBondContact O-N 3.46Å
523	H	41	Very low	43.1	Very low	109 Å²	109	110.7 Å²	110.7	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-25.1	-176.3	-155	60.7	0	0	0	113.1	L519 N520 K527	L519-H523 WeakPolarHBondContact O-CB 3.16Å; L519-H523 PolarHBondContact O-N 3.3Å; N520-H523 PolarHBondContact O-N 3.01Å; N520-H523 VanDerWaalsContact O-N 3.1Å; H523-K527 PolarHBondContact CD2-NZ 3.11Å; H523-K527 WeakPolarHBondContact NE2-CE 3.46Å; H523-K527 PolarHBondContact NE2-NZ 3.01Å; H523-K527 VanDerWaalsContact O-CB 3.29Å; H523-K527 WeakPolarHBondContact O-CB 3.33Å; H523-K527 VanDerWaalsContact O-CD 3.28Å; H523-K527 WeakPolarHBondContact O-CD 3.39Å; H523-K527 WeakPolarHBondContact O-CG 3.46Å; H523-K527 PolarHBondContact O-N 3.33Å
524	E	40.1	Very low	43.2	Very low	153 Å²	153	113.6 Å²	113.6	72%	0.715	53%	0.525	S	S	*	.	H	α-helix	trans	-87.7	-43	171	-60.7	-160.9	135.4	0	0	112.9	H522 K527 F528	H522-E524 PolarHBondContact O-N 3.26Å; E524-K527 CarbonylContact O-C 3.57Å; E524-K527 WeakPolarHBondContact O-CB 3.21Å; E524-K527 PolarHBondContact O-N 3.48Å; E524-F528 PolarHBondContact O-N 3.49Å
525	N	41	Very low	43.4	Very low	112 Å²	112	114.7 Å²	114.7	60%	0.599	53%	0.529	S	S	*	.	H	α-helix	trans	-70.8	-35.8	179	-77.3	-70	0	0	0	113.3	N521 H522 F528 Y529	N521-N525 PolarHBondContact O-ND2 2.96Å; N521-N525 VanDerWaalsContact O-ND2 3.14Å; H522-N525 PolarHBondContact O-N 3.49Å; N525-F528 PolarHBondContact O-N 3.05Å; N525-Y529 VanDerWaalsContact O-CB 3.32Å; N525-Y529 WeakPolarHBondContact O-CB 3.37Å; N525-Y529 PolarHBondContact O-N 2.96Å
526	I	50.1	Low	43.6	Very low	73 Å²	73	111.5 Å²	111.5	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-68.3	-39.9	168.3	-64.8	-178.2	0	0	0	109.4	H522 F528 Y529 E530	H522-I526 HydrophobicContact CB-CD1 3.76Å; H522-I526 HydrophobicContact CB-CG1 3.92Å; H522-I526 WeakPolarHBondContact ND1-CG1 3.19Å; H522-I526 WeakPolarHBondContact O-CA 3.32Å; H522-I526 WeakPolarHBondContact O-CB 3.35Å; H522-I526 VanDerWaalsContact O-CG1 3.3Å; H522-I526 WeakPolarHBondContact O-CG1 3.32Å; H522-I526 PolarHBondContact O-N 3.46Å; I526-F528 VanDerWaalsContact C-N 3.3Å; I526-F528 PolarHBondContact O-N 2.96Å; I526-Y529 PolarHBondContact O-N 2.97Å; I526-E530 VanDerWaalsContact CG2-CD 3.49Å; I526-E530 HydrophobicContact CG2-CG 3.65Å; I526-E530 WeakPolarHBondContact O-CA 3.24Å; I526-E530 WeakPolarHBondContact O-CB 3.5Å; I526-E530 VanDerWaalsContact O-CG 3.3Å; I526-E530 WeakPolarHBondContact O-CG 2.93Å; I526-E530 PolarHBondContact O-N 2.91Å
527	K	49.2	Very low	43.6	Very low	111 Å²	111	110.3 Å²	110.3	48%	0.483	51%	0.513	S	S	.	.	H	α-helix	trans	-58.8	-40.8	170.9	-85.3	173.9	-174.2	165.6	0	112.2	H523 E524 Q531	H523-K527 PolarHBondContact CD2-NZ 3.11Å; H523-K527 WeakPolarHBondContact NE2-CE 3.46Å; H523-K527 PolarHBondContact NE2-NZ 3.01Å; H523-K527 VanDerWaalsContact O-CB 3.29Å; H523-K527 WeakPolarHBondContact O-CB 3.33Å; H523-K527 VanDerWaalsContact O-CD 3.28Å; H523-K527 WeakPolarHBondContact O-CD 3.39Å; H523-K527 WeakPolarHBondContact O-CG 3.46Å; H523-K527 PolarHBondContact O-N 3.33Å; E524-K527 CarbonylContact O-C 3.57Å; E524-K527 WeakPolarHBondContact O-CB 3.21Å; E524-K527 PolarHBondContact O-N 3.48Å; K527-Q531 WeakPolarHBondContact O-CA 3.46Å; K527-Q531 WeakPolarHBondContact O-CB 3.32Å; K527-Q531 PolarHBondContact O-N 2.9Å
528	F	47.6	Very low	44	Very low	135 Å²	135	106.1 Å²	106.1	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-68.8	-41.6	175.9	-119.5	-93.6	0	0	0	112.8	E524 N525 I526 Q531 Y532	E524-F528 PolarHBondContact O-N 3.49Å; N525-F528 PolarHBondContact O-N 3.05Å; I526-F528 VanDerWaalsContact C-N 3.3Å; I526-F528 PolarHBondContact O-N 2.96Å; F528-Q531 PolarHBondContact O-N 3.12Å; F528-Y532 WeakPolarHBondContact O-CB 3.49Å; F528-Y532 PolarHBondContact O-N 3.44Å
529	Y	45.9	Very low	44.1	Very low	158 Å²	158	103.6 Å²	103.6	62%	0.62	50%	0.501	S	S	*	.	H	α-helix	trans	-77.4	-30.9	-179	-148.4	-95.7	0	0	0	112.9	N525 I526 K533	N525-Y529 VanDerWaalsContact O-CB 3.32Å; N525-Y529 WeakPolarHBondContact O-CB 3.37Å; N525-Y529 PolarHBondContact O-N 2.96Å; I526-Y529 PolarHBondContact O-N 2.97Å; Y529-K533 HydrophobicContact CD1-CD 4.42Å; Y529-K533 WeakPolarHBondContact O-CB 3.46Å; Y529-K533 WeakPolarHBondContact O-CG 3.22Å; Y529-K533 PolarHBondContact O-N 3.2Å
530	E	51.5	Low	44.3	Very low	99 Å²	99	102.9 Å²	102.9	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-72.9	-37	167	-73	-172.9	150.8	0	0	111.2	I526 Y532 K533 Q534	I526-E530 VanDerWaalsContact CG2-CD 3.49Å; I526-E530 HydrophobicContact CG2-CG 3.65Å; I526-E530 WeakPolarHBondContact O-CA 3.24Å; I526-E530 WeakPolarHBondContact O-CB 3.5Å; I526-E530 VanDerWaalsContact O-CG 3.3Å; I526-E530 WeakPolarHBondContact O-CG 2.93Å; I526-E530 PolarHBondContact O-N 2.91Å; E530-Y532 VanDerWaalsContact C-N 3.33Å; E530-K533 CarbonylContact O-C 3.36Å; E530-K533 PolarHBondContact O-N 3.17Å; E530-Q534 WeakPolarHBondContact O-CA 3.49Å; E530-Q534 WeakPolarHBondContact O-CB 3.2Å; E530-Q534 WeakPolarHBondContact O-CG 3.5Å; E530-Q534 PolarHBondContact O-N 3.48Å
531	Q	49.6	Very low	44.2	Very low	70 Å²	70	104.8 Å²	104.8	33%	0.327	50%	0.497	S	S	.	.	H	α-helix	trans	-67.3	-35.4	172	-174.7	172.5	7.6	0	0	111	K527 F528 Q534 Q535	K527-Q531 WeakPolarHBondContact O-CA 3.46Å; K527-Q531 WeakPolarHBondContact O-CB 3.32Å; K527-Q531 PolarHBondContact O-N 2.9Å; F528-Q531 PolarHBondContact O-N 3.12Å; Q531-Q534 CarbonylContact O-C 3.31Å; Q531-Q534 VanDerWaalsContact O-C 3.28Å; Q531-Q534 PolarHBondContact O-N 3.13Å; Q531-Q535 WeakPolarHBondContact O-CB 3.24Å; Q531-Q535 VanDerWaalsContact O-CG 3.23Å; Q531-Q535 WeakPolarHBondContact O-CG 3.48Å; Q531-Q535 PolarHBondContact O-N 3.03Å
532	Y	44.9	Very low	44.2	Very low	154 Å²	154	104.2 Å²	104.2	60%	0.604	50%	0.5	S	S	*	.	H	α-helix	trans	-69.8	-41.9	172.7	-151.1	-102.2	0	0	0	111.6	F528 E530 Q534 Q535 T536	F528-Y532 WeakPolarHBondContact O-CB 3.49Å; F528-Y532 PolarHBondContact O-N 3.44Å; E530-Y532 VanDerWaalsContact C-N 3.33Å; Y532-Q534 VanDerWaalsContact C-N 3.32Å; Y532-Q534 PolarHBondContact O-N 3.43Å; Y532-Q535 PolarHBondContact O-N 2.92Å; Y532-Q535 VanDerWaalsContact O-N 3.15Å; Y532-T536 HydrophobicContact CD1-CG2 4.16Å; Y532-T536 HydrophobicContact CE1-CG2 4.05Å; Y532-T536 WeakPolarHBondContact O-CB 3.43Å; Y532-T536 PolarHBondContact O-N 3.02Å; Y532-T536 PolarHBondContact O-OG1 2.93Å
533	K	51.8	Low	44.2	Very low	113 Å²	113	106.9 Å²	106.9	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-33	168.4	-80.5	-179.2	173.8	177.4	0	112.3	Y529 E530 Q535 T536 N537	Y529-K533 HydrophobicContact CD1-CD 4.42Å; Y529-K533 WeakPolarHBondContact O-CB 3.46Å; Y529-K533 WeakPolarHBondContact O-CG 3.22Å; Y529-K533 PolarHBondContact O-N 3.2Å; E530-K533 CarbonylContact O-C 3.36Å; E530-K533 PolarHBondContact O-N 3.17Å; K533-Q535 VanDerWaalsContact C-N 3.26Å; K533-Q535 PolarHBondContact O-N 3.49Å; K533-T536 WeakPolarHBondContact CA-OG1 3.23Å; K533-N537 WeakPolarHBondContact O-CA 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.42Å; K533-N537 PolarHBondContact O-N 3.18Å
534	Q	47.7	Very low	43.9	Very low	122 Å²	122	108.2 Å²	108.2	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-85.6	8.5	174.4	-68.3	172.5	46.8	0	0	112.8	E530 Q531 Y532 T538	E530-Q534 WeakPolarHBondContact O-CA 3.49Å; E530-Q534 WeakPolarHBondContact O-CB 3.2Å; E530-Q534 WeakPolarHBondContact O-CG 3.5Å; E530-Q534 PolarHBondContact O-N 3.48Å; Q531-Q534 CarbonylContact O-C 3.31Å; Q531-Q534 VanDerWaalsContact O-C 3.28Å; Q531-Q534 PolarHBondContact O-N 3.13Å; Y532-Q534 VanDerWaalsContact C-N 3.32Å; Y532-Q534 PolarHBondContact O-N 3.43Å; Q534-T538 VanDerWaalsContact C-OG1 3.23Å; Q534-T538 WeakPolarHBondContact CA-OG1 3.44Å; Q534-T538 WeakPolarHBondContact O-CB 3.32Å; Q534-T538 PolarHBondContact O-OG1 3.01Å
535	Q	46.8	Very low	43.7	Very low	92 Å²	92	109.9 Å²	109.9	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-114.4	-35.1	167	-75.2	172.5	3.6	0	0	110.7	Q531 Y532 K533 S539	Q531-Q535 WeakPolarHBondContact O-CB 3.24Å; Q531-Q535 VanDerWaalsContact O-CG 3.23Å; Q531-Q535 WeakPolarHBondContact O-CG 3.48Å; Q531-Q535 PolarHBondContact O-N 3.03Å; Y532-Q535 PolarHBondContact O-N 2.92Å; Y532-Q535 VanDerWaalsContact O-N 3.15Å; K533-Q535 VanDerWaalsContact C-N 3.26Å; K533-Q535 PolarHBondContact O-N 3.49Å; Q535-S539 PolarHBondContact O-N 3.07Å; Q535-S539 PolarHBondContact O-OG 3.38Å
536	T	44.1	Very low	44	Very low	57 Å²	57	114.8 Å²	114.8	35%	0.35	54%	0.538	S	S	.	.	H	α-helix	trans	-81.8	-43.3	173.6	53.7	0	0	0	0	113.4	Y532 K533 S539 I540	Y532-T536 HydrophobicContact CD1-CG2 4.16Å; Y532-T536 HydrophobicContact CE1-CG2 4.05Å; Y532-T536 WeakPolarHBondContact O-CB 3.43Å; Y532-T536 PolarHBondContact O-N 3.02Å; Y532-T536 PolarHBondContact O-OG1 2.93Å; K533-T536 WeakPolarHBondContact CA-OG1 3.23Å; T536-S539 PolarHBondContact O-OG 2.98Å; T536-I540 WeakPolarHBondContact O-CG1 3.43Å; T536-I540 PolarHBondContact O-N 2.72Å
537	N	40.4	Very low	43.8	Very low	67 Å²	67	116.6 Å²	116.6	36%	0.358	56%	0.557	S	S	.	*	H	α-helix	trans	-77.7	-30.3	171	-68	-36.5	0	0	0	112.5	K533 S539 I540 Y541	K533-N537 WeakPolarHBondContact O-CA 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.42Å; K533-N537 PolarHBondContact O-N 3.18Å; N537-S539 VanDerWaalsContact C-N 3.26Å; N537-S539 PolarHBondContact O-N 3.28Å; N537-I540 PolarHBondContact O-N 3.44Å; N537-Y541 HydrophobicContact CB-CD2 3.67Å; N537-Y541 HydrophobicContact CB-CE2 3.87Å; N537-Y541 VanDerWaalsContact O-CB 3.28Å; N537-Y541 WeakPolarHBondContact O-CB 3.48Å; N537-Y541 VanDerWaalsContact O-CD2 3.3Å; N537-Y541 WeakPolarHBondContact O-CD2 3.2Å; N537-Y541 PolarHBondContact O-N 3.3Å; N537-Y541 WeakPolarHBondContact OD1-CE2 3.37Å
538	T	41.8	Very low	44.6	Very low	82 Å²	82	122.4 Å²	122.4	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-70.5	-24.2	178.6	-53.6	0	0	0	0	112.3	Q534 S542	Q534-T538 VanDerWaalsContact C-OG1 3.23Å; Q534-T538 WeakPolarHBondContact CA-OG1 3.44Å; Q534-T538 WeakPolarHBondContact O-CB 3.32Å; Q534-T538 PolarHBondContact O-OG1 3.01Å; T538-S542 WeakPolarHBondContact O-CB 3.49Å; T538-S542 PolarHBondContact O-N 2.83Å; T538-S542 PolarHBondContact O-OG 3.46Å
539	S	40.1	Very low	46.1	Very low	63 Å²	63	119.8 Å²	119.8	44%	0.441	57%	0.571	S	S	.	*	H	α-helix	trans	-77	-38	168.1	45.6	0	0	0	0	112.7	Q535 T536 N537 S542	Q535-S539 PolarHBondContact O-N 3.07Å; Q535-S539 PolarHBondContact O-OG 3.38Å; T536-S539 PolarHBondContact O-OG 2.98Å; N537-S539 VanDerWaalsContact C-N 3.26Å; N537-S539 PolarHBondContact O-N 3.28Å; S539-S542 PolarHBondContact O-OG 3.26Å
540	I	42.1	Very low	48	Very low	99 Å²	99	123.2 Å²	123.2	51%	0.508	58%	0.583	S	S	.	*	H	α-helix	trans	-78.8	-40.5	-179.1	-67.7	171.8	0	0	0	113.2	T536 N537	T536-I540 WeakPolarHBondContact O-CG1 3.43Å; T536-I540 PolarHBondContact O-N 2.72Å; N537-I540 PolarHBondContact O-N 3.44Å
541	Y	35.7	Very low	49.8	Very low	153 Å²	153	120.5 Å²	120.5	60%	0.6	57%	0.571	S	S	*	*	H	α-helix	trans	-84.5	-20.2	-177	-74.2	-111	0	0	0	113.3	N537 L543	N537-Y541 HydrophobicContact CB-CD2 3.67Å; N537-Y541 HydrophobicContact CB-CE2 3.87Å; N537-Y541 VanDerWaalsContact O-CB 3.28Å; N537-Y541 WeakPolarHBondContact O-CB 3.48Å; N537-Y541 VanDerWaalsContact O-CD2 3.3Å; N537-Y541 WeakPolarHBondContact O-CD2 3.2Å; N537-Y541 PolarHBondContact O-N 3.3Å; N537-Y541 WeakPolarHBondContact OD1-CE2 3.37Å; Y541-L543 VanDerWaalsContact C-N 3.34Å
542	S	37.3	Very low	51.8	Low	87 Å²	87	122 Å²	122	61%	0.608	58%	0.582	S	S	*	*	H	α-helix	trans	-74.5	-24.1	170.4	62.5	0	0	0	0	113	T538 S539	T538-S542 WeakPolarHBondContact O-CB 3.49Å; T538-S542 PolarHBondContact O-N 2.83Å; T538-S542 PolarHBondContact O-OG 3.46Å; S539-S542 PolarHBondContact O-OG 3.26Å
543	L	38.7	Very low	54.1	Low	135 Å²	135	119.7 Å²	119.7	71%	0.707	58%	0.577	S	S	*	*	H	α-helix	trans	-82.1	-17.4	175.9	-76.2	171.2	0	0	0	113.8	Y541 K545	Y541-L543 VanDerWaalsContact C-N 3.34Å; L543-K545 VanDerWaalsContact C-N 3.27Å; L543-K545 PolarHBondContact O-N 2.83Å
544	Q	35.5	Very low	56.1	Low	137 Å²	137	119 Å²	119	64%	0.64	58%	0.581	S	S	*	*			trans	-72.6	77.9	171.8	-67.2	-165.2	10.6	0	0	111.8	R546	Q544-R546 PolarHBondContact O-N 3.45Å
545	K	37	Very low	58.3	Low	188 Å²	188	114.6 Å²	114.6	82%	0.817	56%	0.561	S	S	*	*			trans	-58.5	91.9	172.5	-76.6	174.9	178.6	163.8	0	110.6	L543 S547	L543-K545 VanDerWaalsContact C-N 3.27Å; L543-K545 PolarHBondContact O-N 2.83Å; K545-S547 PolarHBondContact O-N 3.35Å
546	R	45.5	Very low	60.5	Low	216 Å²	216	111.8 Å²	111.8	82%	0.815	55%	0.549	S	S	*	.			trans	-27.4	104.9	-176.4	-172.8	-175.1	-65.4	-155.6	1.2	112	Q544 R548	Q544-R546 PolarHBondContact O-N 3.45Å; R546-R548 PolarHBondContact O-N 3.24Å
547	S	45.9	Very low	63	Low	110 Å²	110	113.2 Å²	113.2	77%	0.769	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-51.9	134.2	-171.1	-66.2	0	0	0	0	111.9	K545 T549	K545-S547 PolarHBondContact O-N 3.35Å; S547-T549 PolarHBondContact O-N 3.29Å
548	R	66.1	Low	65.5	Low	233 Å²	233	112.2 Å²	112.2	88%	0.879	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.4	123.6	172.9	-179.6	-176.8	-178.3	-178.7	2.7	108.5	R546 R550	R546-R548 PolarHBondContact O-N 3.24Å; R548-R550 PolarHBondContact O-N 3.47Å; R548-R550 VanDerWaalsContact O-N 3.09Å
549	T	79.5	Confident	68.1	Low	81 Å²	81	108.3 Å²	108.3	50%	0.497	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-50.2	117	177	-26.2	0	0	0	0	110.2	S547 L551	S547-T549 PolarHBondContact O-N 3.29Å; T549-L551 HydrophobicContact CG2-CD2 4.35Å
550	R	85.4	Confident	70.6	Confident	230 Å²	230	110 Å²	110	87%	0.868	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-85.6	139.9	162.9	-68.2	-177.4	175.4	-172	-0.9	106.8	R548	R548-R550 PolarHBondContact O-N 3.47Å; R548-R550 VanDerWaalsContact O-N 3.09Å
551	L	89.8	Confident	73.1	Confident	41 Å²	41	107.8 Å²	107.8	22%	0.215	52%	0.515	C	S	.	.			trans	-106.2	132.9	176.9	-57.8	179.2	0	0	0	107.6	T549 L556 L559 L583 V587 W591	T549-L551 HydrophobicContact CG2-CD2 4.35Å; L551-L556 HydrophobicContact CB-CD1 4.47Å; L551-L556 HydrophobicContact CB-CD2 3.87Å; L551-L556 HydrophobicContact CB-CG 3.9Å; L551-L556 HydrophobicContact CD1-CD2 3.8Å; L551-L556 HydrophobicContact CG-CD2 4.48Å; L551-L559 HydrophobicContact CD1-CD1 3.83Å; L551-L583 HydrophobicContact CD2-CD1 3.71Å; L551-L583 HydrophobicContact CD2-CD2 3.55Å; L551-L583 HydrophobicContact CD2-CG 4.3Å; L551-V587 HydrophobicContact CD2-CG1 4.18Å; L551-W591 VanDerWaalsContact CD1-CD1 3.44Å; L551-W591 HydrophobicContact CD1-CG 4.41Å
552	N	91.9	Very high	75.8	Confident	102 Å²	102	102.3 Å²	102.3	55%	0.545	49%	0.493	S	S	.	.			trans	-75.4	157.2	176.7	-65.1	-11.2	0	0	0	110	T554 Q555 L556	N552-T554 PolarHBondContact O-N 3.49Å; N552-Q555 HydrophobicContact CB-CG 4.42Å; N552-Q555 WeakPolarHBondContact O-CB 3.49Å; N552-Q555 PolarHBondContact O-N 2.73Å; N552-L556 PolarHBondContact O-N 3.03Å
553	E	92.2	Very high	78.5	Confident	106 Å²	106	98.8 Å²	98.8	50%	0.495	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-30.4	-175.8	-157	62.7	-150.1	0	0	112.5	L556 N557 R560	E553-L556 PolarHBondContact O-N 3.28Å; E553-N557 WeakPolarHBondContact O-CB 3.46Å; E553-N557 VanDerWaalsContact O-CG 3.22Å; E553-N557 PolarHBondContact O-N 2.88Å; E553-N557 PolarHBondContact O-ND2 2.93Å; E553-R560 IonicContact OE1-CZ 2.65Å; E553-R560 VanDerWaalsContact OE1-CZ 3.29Å; E553-R560 IonicContact OE1-NH1 3.66Å; E553-R560 PolarHBondContact OE1-NH1 3.03Å; E553-R560 IonicContact OE1-NH2 2.63Å; E553-R560 PolarHBondContact OE1-NH2 3.39Å
554	T	94.1	Very high	80.9	Confident	97 Å²	97	98.4 Å²	98.4	60%	0.595	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-47.8	170.4	49.9	0	0	0	0	112.2	N552 L556 N557 I558	N552-T554 PolarHBondContact O-N 3.49Å; T554-L556 VanDerWaalsContact C-N 3.33Å; T554-L556 PolarHBondContact O-N 2.77Å; T554-N557 PolarHBondContact O-N 2.92Å; T554-I558 WeakPolarHBondContact O-CG1 3.48Å; T554-I558 PolarHBondContact O-N 3.27Å; T554-I558 VanDerWaalsContact O-N 3.11Å
555	Q	94.2	Very high	83.5	Confident	31 Å²	31	98.8 Å²	98.8	15%	0.145	47%	0.471	C	S	.	.	H	α-helix	trans	-63.5	-39.5	175.3	-64.3	172.3	-38.2	0	0	111.4	N552 I558 L559 T581 L583	N552-Q555 HydrophobicContact CB-CG 4.42Å; N552-Q555 WeakPolarHBondContact O-CB 3.49Å; N552-Q555 PolarHBondContact O-N 2.73Å; Q555-I558 PolarHBondContact O-N 2.97Å; Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CD1 3.34Å; Q555-L559 WeakPolarHBondContact O-CG 3.42Å; Q555-L559 PolarHBondContact O-N 3.5Å; Q555-T581 HydrophobicContact CB-CG2 4.47Å; Q555-T581 PolarHBondContact NE2-O 3.04Å; Q555-L583 HydrophobicContact CB-CD1 4.37Å
556	L	94.3	Very high	85.9	Confident	33 Å²	33	93.3 Å²	93.3	17%	0.173	45%	0.45	C	S	.	.	H	α-helix	trans	-66.8	-37.4	176.5	-71.2	173	0	0	0	112.5	L551 N552 E553 T554 L559 R560	L551-L556 HydrophobicContact CB-CD1 4.47Å; L551-L556 HydrophobicContact CB-CD2 3.87Å; L551-L556 HydrophobicContact CB-CG 3.9Å; L551-L556 HydrophobicContact CD1-CD2 3.8Å; L551-L556 HydrophobicContact CG-CD2 4.48Å; N552-L556 PolarHBondContact O-N 3.03Å; E553-L556 PolarHBondContact O-N 3.28Å; T554-L556 VanDerWaalsContact C-N 3.33Å; T554-L556 PolarHBondContact O-N 2.77Å; L556-L559 PolarHBondContact O-N 3.24Å; L556-R560 WeakPolarHBondContact O-CB 3.44Å; L556-R560 VanDerWaalsContact O-CG 3.24Å; L556-R560 WeakPolarHBondContact O-CG 3.14Å; L556-R560 PolarHBondContact O-N 3.04Å
557	N	94.7	Very high	88	Confident	87 Å²	87	86.5 Å²	86.5	47%	0.465	43%	0.43	S	S	.	.	H	α-helix	trans	-67.1	-40.5	176.5	-74.3	-17.6	0	0	0	112.1	E553 T554 R560 S561	E553-N557 WeakPolarHBondContact O-CB 3.46Å; E553-N557 VanDerWaalsContact O-CG 3.22Å; E553-N557 PolarHBondContact O-N 2.88Å; E553-N557 PolarHBondContact O-ND2 2.93Å; T554-N557 PolarHBondContact O-N 2.92Å; N557-R560 PolarHBondContact O-N 3.24Å; N557-R560 PolarHBondContact OD1-NH1 3.18Å; N557-S561 PolarHBondContact O-N 3.39Å; N557-S561 PolarHBondContact O-OG 3.16Å
558	I	93.8	Very high	90.1	Very high	46 Å²	46	85 Å²	85	24%	0.236	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-45.6	172.1	-62.8	163.4	0	0	0	110.4	T554 Q555 R560 S561 Y562 K580 T581	T554-I558 WeakPolarHBondContact O-CG1 3.48Å; T554-I558 PolarHBondContact O-N 3.27Å; T554-I558 VanDerWaalsContact O-N 3.11Å; Q555-I558 PolarHBondContact O-N 2.97Å; I558-R560 VanDerWaalsContact C-N 3.32Å; I558-R560 PolarHBondContact O-N 3.28Å; I558-S561 PolarHBondContact O-N 2.95Å; I558-S561 PolarHBondContact O-OG 3.09Å; I558-Y562 HydrophobicContact CG2-CD2 4.18Å; I558-Y562 HydrophobicContact CG2-CE2 4.02Å; I558-Y562 VanDerWaalsContact O-CD2 3.29Å; I558-Y562 WeakPolarHBondContact O-CD2 3.48Å; I558-Y562 PolarHBondContact O-N 2.93Å; I558-K580 WeakPolarHBondContact CD1-O 3.26Å; I558-K580 HydrophobicContact CG2-CB 4.29Å; I558-T581 HydrophobicContact CB-CG2 3.83Å; I558-T581 HydrophobicContact CD1-CG2 4.09Å; I558-T581 HydrophobicContact CG2-CG2 3.61Å
559	L	95.5	Very high	91.2	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-37.8	178.2	-73.7	164.5	0	0	0	112.6	L551 Q555 L556 F563 I577 L583 V588 W591 F592	L551-L559 HydrophobicContact CD1-CD1 3.83Å; Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CD1 3.34Å; Q555-L559 WeakPolarHBondContact O-CG 3.42Å; Q555-L559 PolarHBondContact O-N 3.5Å; L556-L559 PolarHBondContact O-N 3.24Å; L559-F563 WeakPolarHBondContact O-CB 3.4Å; L559-F563 PolarHBondContact O-N 3.45Å; L559-I577 HydrophobicContact CD2-CG2 3.74Å; L559-L583 HydrophobicContact CD1-CD1 3.88Å; L559-V588 HydrophobicContact CD2-CG1 3.97Å; L559-V588 HydrophobicContact CD2-CG2 4.49Å; L559-W591 VanDerWaalsContact C-CH2 3.49Å; L559-W591 HydrophobicContact CB-CD2 3.9Å; L559-W591 HydrophobicContact CB-CE3 3.91Å; L559-W591 HydrophobicContact CB-CH2 3.79Å; L559-W591 HydrophobicContact CB-CZ2 3.73Å; L559-W591 HydrophobicContact CB-CZ3 3.87Å; L559-W591 HydrophobicContact CD1-CD2 4.03Å; L559-W591 HydrophobicContact CD1-CG 3.94Å; L559-W591 HydrophobicContact CD2-CD2 4.14Å; L559-W591 HydrophobicContact CD2-CE3 4.01Å; L559-W591 HydrophobicContact CD2-CG 4.4Å; L559-W591 HydrophobicContact CG-CD2 4.26Å; L559-W591 HydrophobicContact CG-CE3 4.42Å; L559-W591 VanDerWaalsContact O-CH2 3.3Å; L559-W591 WeakPolarHBondContact O-CH2 3.42Å; L559-W591 VanDerWaalsContact O-CZ3 3.28Å; L559-W591 WeakPolarHBondContact O-CZ3 3.19Å; L559-F592 HydrophobicContact CD2-CD2 4.4Å; L559-F592 HydrophobicContact CD2-CE2 3.86Å
560	R	94	Very high	91.8	Very high	97 Å²	97	73.9 Å²	73.9	37%	0.366	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-52	173.1	-73.7	172.3	-168.3	126.5	-2.5	111.8	E553 L556 N557 I558 Y562 F563 D564	E553-R560 IonicContact OE1-CZ 2.65Å; E553-R560 VanDerWaalsContact OE1-CZ 3.29Å; E553-R560 IonicContact OE1-NH1 3.66Å; E553-R560 PolarHBondContact OE1-NH1 3.03Å; E553-R560 IonicContact OE1-NH2 2.63Å; E553-R560 PolarHBondContact OE1-NH2 3.39Å; L556-R560 WeakPolarHBondContact O-CB 3.44Å; L556-R560 VanDerWaalsContact O-CG 3.24Å; L556-R560 WeakPolarHBondContact O-CG 3.14Å; L556-R560 PolarHBondContact O-N 3.04Å; N557-R560 PolarHBondContact O-N 3.24Å; N557-R560 PolarHBondContact OD1-NH1 3.18Å; I558-R560 VanDerWaalsContact C-N 3.32Å; I558-R560 PolarHBondContact O-N 3.28Å; R560-Y562 VanDerWaalsContact C-N 3.26Å; R560-Y562 PolarHBondContact O-N 3.25Å; R560-F563 CarbonylContact O-C 3.59Å; R560-F563 WeakPolarHBondContact O-CA 3.24Å; R560-F563 VanDerWaalsContact O-CB 3.32Å; R560-F563 WeakPolarHBondContact O-CB 3.39Å; R560-F563 PolarHBondContact O-N 3.39Å; R560-D564 PolarHBondContact O-N 2.9Å
561	S	93.3	Very high	92.1	Very high	54 Å²	54	67.6 Å²	67.6	38%	0.378	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-33.2	-173.7	64	0	0	0	0	113.5	N557 I558 I565	N557-S561 PolarHBondContact O-N 3.39Å; N557-S561 PolarHBondContact O-OG 3.16Å; I558-S561 PolarHBondContact O-N 2.95Å; I558-S561 PolarHBondContact O-OG 3.09Å; S561-I565 VanDerWaalsContact O-CD1 3.32Å; S561-I565 WeakPolarHBondContact O-CD1 3.45Å; S561-I565 VanDerWaalsContact O-CG1 3.27Å; S561-I565 WeakPolarHBondContact O-CG1 3.33Å; S561-I565 PolarHBondContact O-N 3.15Å
562	Y	93.7	Very high	92.3	Very high	38 Å²	38	72.3 Å²	72.3	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-76	-30.6	172.1	-76.3	-107.4	0	0	0	113.1	I558 R560 N566 E576 I577 K580	I558-Y562 HydrophobicContact CG2-CD2 4.18Å; I558-Y562 HydrophobicContact CG2-CE2 4.02Å; I558-Y562 VanDerWaalsContact O-CD2 3.29Å; I558-Y562 WeakPolarHBondContact O-CD2 3.48Å; I558-Y562 PolarHBondContact O-N 2.93Å; R560-Y562 VanDerWaalsContact C-N 3.26Å; R560-Y562 PolarHBondContact O-N 3.25Å; Y562-N566 CarbonylContact O-C 3.53Å; Y562-N566 PolarHBondContact O-N 3.36Å; Y562-N566 VanDerWaalsContact O-O 3.11Å; Y562-E576 PolarHBondContact OH-OE1 3.37Å; Y562-I577 HydrophobicContact CD1-CD1 3.55Å; Y562-I577 HydrophobicContact CD1-CG1 3.48Å; Y562-I577 VanDerWaalsContact CD1-CG1 3.48Å; Y562-I577 HydrophobicContact CD2-CD1 4.4Å; Y562-I577 HydrophobicContact CD2-CG1 3.94Å; Y562-I577 HydrophobicContact CE1-CD1 4.29Å; Y562-I577 HydrophobicContact CE1-CG1 3.75Å; Y562-I577 HydrophobicContact CE2-CG1 4.19Å; Y562-I577 HydrophobicContact CG-CD1 3.6Å; Y562-I577 HydrophobicContact CG-CG1 3.56Å; Y562-K580 VanDerWaalsContact OH-CD 3.28Å; Y562-K580 WeakPolarHBondContact OH-CD 3.47Å; Y562-K580 PolarHBondContact OH-NZ 2.87Å
563	F	93.2	Very high	92.3	Very high	12 Å²	12	71.2 Å²	71.2	5%	0.053	38%	0.375	C	S	.	.	H	α-helix	trans	-68.9	-41.9	175.4	-172.9	-93.1	0	0	0	112.4	L559 R560 I565 N566 N567 W591 F592 T595 L596	L559-F563 WeakPolarHBondContact O-CB 3.4Å; L559-F563 PolarHBondContact O-N 3.45Å; R560-F563 CarbonylContact O-C 3.59Å; R560-F563 WeakPolarHBondContact O-CA 3.24Å; R560-F563 VanDerWaalsContact O-CB 3.32Å; R560-F563 WeakPolarHBondContact O-CB 3.39Å; R560-F563 PolarHBondContact O-N 3.39Å; F563-I565 PolarHBondContact O-N 3.19Å; F563-N566 CarbonylContact O-C 3.14Å; F563-N566 PolarHBondContact O-N 3.38Å; F563-N567 VanDerWaalsContact CE1-OD1 3.31Å; F563-N567 WeakPolarHBondContact CE1-OD1 3.35Å; F563-N567 WeakPolarHBondContact CZ-OD1 3.32Å; F563-N567 PolarHBondContact O-N 3.41Å; F563-W591 HydrophobicContact CB-CH2 4.01Å; F563-W591 HydrophobicContact CB-CZ3 3.88Å; F563-W591 HydrophobicContact CD2-CH2 4.43Å; F563-W591 AromaticContact CD2-CZ3 3.92Å; F563-W591 HydrophobicContact CD2-CZ3 3.92Å; F563-W591 HydrophobicContact CG-CH2 4.24Å; F563-W591 HydrophobicContact CG-CZ3 4.1Å; F563-F592 HydrophobicContact CB-CE1 3.89Å; F563-F592 HydrophobicContact CB-CZ 4.38Å; F563-F592 AromaticContact CD2-CD1 3.72Å; F563-F592 HydrophobicContact CD2-CD1 3.72Å; F563-F592 AromaticContact CD2-CE1 3.89Å; F563-F592 HydrophobicContact CD2-CE1 3.89Å; F563-F592 HydrophobicContact CG-CE1 4.4Å; F563-T595 HydrophobicContact CD1-CG2 4.11Å; F563-T595 HydrophobicContact CD2-CG2 4.02Å; F563-T595 HydrophobicContact CE1-CG2 3.76Å; F563-T595 HydrophobicContact CE2-CG2 3.68Å; F563-T595 HydrophobicContact CG-CG2 4.24Å; F563-T595 HydrophobicContact CZ-CG2 3.54Å; F563-L596 HydrophobicContact CE2-CB 4.02Å; F563-L596 HydrophobicContact CZ-CB 4.31Å; F563-L596 HydrophobicContact CZ-CD1 4.36Å
564	D	90.1	Very high	92.5	Very high	127 Å²	127	66.4 Å²	66.4	68%	0.679	35%	0.353	S	S	*	.	H	α-helix	trans	-68.3	-24.5	179.2	-57.5	-30.3	0	0	0	111.6	R560	R560-D564 PolarHBondContact O-N 2.9Å
565	I	90.1	Very high	92.5	Very high	145 Å²	145	65.7 Å²	65.7	74%	0.744	35%	0.345	S	S	*	.	H	α-helix	trans	-82.7	-48.6	169.5	-65	165.6	0	0	0	111.3	S561 F563	S561-I565 VanDerWaalsContact O-CD1 3.32Å; S561-I565 WeakPolarHBondContact O-CD1 3.45Å; S561-I565 VanDerWaalsContact O-CG1 3.27Å; S561-I565 WeakPolarHBondContact O-CG1 3.33Å; S561-I565 PolarHBondContact O-N 3.15Å; F563-I565 PolarHBondContact O-N 3.19Å
566	N	86.8	Confident	92.5	Very high	73 Å²	73	66.8 Å²	66.8	39%	0.39	35%	0.351	S	S	.	.			trans	-144.8	114.6	179.6	-175.7	-0.6	0	0	0	112	Y562 F563 S568	Y562-N566 CarbonylContact O-C 3.53Å; Y562-N566 PolarHBondContact O-N 3.36Å; Y562-N566 VanDerWaalsContact O-O 3.11Å; F563-N566 CarbonylContact O-C 3.14Å; F563-N566 PolarHBondContact O-N 3.38Å; N566-S568 PolarHBondContact ND2-O 3.42Å; N566-S568 PolarHBondContact O-N 3.01Å; N566-S568 VanDerWaalsContact O-N 3.13Å; N566-S568 VanDerWaalsContact OD1-C 3.29Å; N566-S568 PolarHBondContact OD1-N 2.92Å; N566-S568 PolarHBondContact OD1-O 2.79Å
567	N	89.2	Confident	92.5	Very high	74 Å²	74	65.2 Å²	65.2	40%	0.396	34%	0.343	S	S	.	.	S	Bend	trans	-59	-19.8	174.6	-80.6	-75.3	0	0	0	114.6	F563 L596	F563-N567 VanDerWaalsContact CE1-OD1 3.31Å; F563-N567 WeakPolarHBondContact CE1-OD1 3.35Å; F563-N567 WeakPolarHBondContact CZ-OD1 3.32Å; F563-N567 PolarHBondContact O-N 3.41Å; N567-L596 HydrophobicContact CB-CD1 3.85Å
568	S	90.2	Very high	92.5	Very high	78 Å²	78	61.8 Å²	61.8	55%	0.545	33%	0.325	S	S	.	.	S	Bend	trans	-142.8	77.2	-178.9	-67.4	0	0	0	0	110.5	N566	N566-S568 PolarHBondContact ND2-O 3.42Å; N566-S568 PolarHBondContact O-N 3.01Å; N566-S568 VanDerWaalsContact O-N 3.13Å; N566-S568 VanDerWaalsContact OD1-C 3.29Å; N566-S568 PolarHBondContact OD1-N 2.92Å; N566-S568 PolarHBondContact OD1-O 2.79Å
569	P	89	Confident	92.5	Very high	22 Å²	22	66.2 Å²	66.2	14%	0.143	35%	0.349	C	S	.	.			trans	-65.4	148.2	-180	29	-36.8	0	0	0	112.2	K573 I574 F592	P569-K573 HydrophobicContact CB-CB 3.84Å; P569-I574 HydrophobicContact CG-CD1 3.72Å; P569-I574 HydrophobicContact CG-CG1 4.19Å; P569-F592 HydrophobicContact CG-CD1 3.64Å; P569-F592 HydrophobicContact CG-CD2 4.31Å; P569-F592 HydrophobicContact CG-CE1 3.55Å; P569-F592 HydrophobicContact CG-CE2 4.25Å; P569-F592 HydrophobicContact CG-CG 4.05Å; P569-F592 HydrophobicContact CG-CZ 3.9Å
570	S	91.6	Very high	92.5	Very high	59 Å²	59	71.5 Å²	71.5	41%	0.413	37%	0.372	S	S	.	.			trans	-65	163.2	171.7	60.1	0	0	0	0	111.9	E572 K573 I574	S570-E572 VanDerWaalsContact C-N 3.26Å; S570-E572 PolarHBondContact O-N 2.82Å; S570-K573 CarbonylContact O-C 3.56Å; S570-K573 PolarHBondContact O-N 2.87Å; S570-K573 WeakPolarHBondContact OG-CG 3.37Å; S570-K573 PolarHBondContact OG-N 2.68Å; S570-I574 WeakPolarHBondContact O-CG1 3.34Å; S570-I574 PolarHBondContact O-N 2.8Å
571	D	93	Very high	92.5	Very high	97 Å²	97	67.4 Å²	67.4	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-34.4	178.9	-71.1	-47.6	0	0	0	113.3	I574 N575 K589	D571-I574 WeakPolarHBondContact O-CB 3.25Å; D571-I574 PolarHBondContact O-N 3.22Å; D571-N575 VanDerWaalsContact O-CG 3.26Å; D571-N575 PolarHBondContact O-N 3.08Å; D571-N575 PolarHBondContact O-ND2 3.26Å; D571-K589 WeakPolarHBondContact OD1-CE 3.42Å; D571-K589 IonicContact OD1-NZ 3.81Å; D571-K589 PolarHBondContact OD1-NZ 2.75Å
572	E	93.8	Very high	92.4	Very high	141 Å²	141	68.2 Å²	68.2	66%	0.659	38%	0.375	S	S	*	.	H	α-helix	trans	-59.2	-47.4	170.4	-174.7	-164.6	-167.3	0	0	111.7	S570 N575 E576	S570-E572 VanDerWaalsContact C-N 3.26Å; S570-E572 PolarHBondContact O-N 2.82Å; E572-N575 WeakPolarHBondContact O-CB 3.32Å; E572-N575 PolarHBondContact O-N 3.19Å; E572-N575 VanDerWaalsContact O-N 3.17Å; E572-E576 PolarHBondContact O-N 3.15Å
573	K	92.7	Very high	92.4	Very high	78 Å²	78	67.3 Å²	67.3	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-69.8	-32.8	177.8	-67.2	-70.5	147.8	-166.4	0	111.9	P569 S570 N575 E576 I577	P569-K573 HydrophobicContact CB-CB 3.84Å; S570-K573 CarbonylContact O-C 3.56Å; S570-K573 PolarHBondContact O-N 2.87Å; S570-K573 WeakPolarHBondContact OG-CG 3.37Å; S570-K573 PolarHBondContact OG-N 2.68Å; K573-N575 VanDerWaalsContact C-N 3.35Å; K573-E576 WeakPolarHBondContact CD-OE2 3.47Å; K573-E576 WeakPolarHBondContact CE-OE2 3.24Å; K573-E576 IonicContact NZ-OE2 2.68Å; K573-E576 PolarHBondContact NZ-OE2 3.39Å; K573-E576 PolarHBondContact O-N 3.14Å; K573-I577 VanDerWaalsContact O-CD1 3.26Å; K573-I577 WeakPolarHBondContact O-CD1 3.38Å; K573-I577 WeakPolarHBondContact O-CG1 3.42Å; K573-I577 PolarHBondContact O-N 2.99Å
574	I	94.7	Very high	92.4	Very high	5 Å²	5	73.6 Å²	73.6	3%	0.026	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-47.3	168.1	-69	-70.9	0	0	0	110.2	P569 S570 D571 E576 I577 C578 E585 V588 K589 F592	P569-I574 HydrophobicContact CG-CD1 3.72Å; P569-I574 HydrophobicContact CG-CG1 4.19Å; S570-I574 WeakPolarHBondContact O-CG1 3.34Å; S570-I574 PolarHBondContact O-N 2.8Å; D571-I574 WeakPolarHBondContact O-CB 3.25Å; D571-I574 PolarHBondContact O-N 3.22Å; I574-E576 PolarHBondContact O-N 2.86Å; I574-I577 PolarHBondContact O-N 3.21Å; I574-C578 PolarHBondContact O-N 3.31Å; I574-C578 PolarHBondContact O-SG 3.02Å; I574-E585 HydrophobicContact CG2-CG 3.66Å; I574-V588 HydrophobicContact CD1-CG1 3.74Å; I574-V588 HydrophobicContact CG2-CB 4.48Å; I574-V588 HydrophobicContact CG2-CG1 4.32Å; I574-K589 HydrophobicContact CD1-CG 3.83Å; I574-K589 HydrophobicContact CG1-CG 4.06Å; I574-K589 HydrophobicContact CG2-CD 4.48Å; I574-K589 HydrophobicContact CG2-CG 3.96Å; I574-F592 HydrophobicContact CD1-CD2 4.23Å
575	N	94	Very high	92.6	Very high	82 Å²	82	71.9 Å²	71.9	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-41.5	179.4	-69.7	-20.8	0	0	0	111.9	D571 E572 K573 I577 C578 N579	D571-N575 VanDerWaalsContact O-CG 3.26Å; D571-N575 PolarHBondContact O-N 3.08Å; D571-N575 PolarHBondContact O-ND2 3.26Å; E572-N575 WeakPolarHBondContact O-CB 3.32Å; E572-N575 PolarHBondContact O-N 3.19Å; E572-N575 VanDerWaalsContact O-N 3.17Å; K573-N575 VanDerWaalsContact C-N 3.35Å; N575-I577 VanDerWaalsContact C-N 3.32Å; N575-I577 PolarHBondContact O-N 2.96Å; N575-C578 WeakPolarHBondContact O-CB 3.39Å; N575-C578 PolarHBondContact O-N 3.18Å; N575-N579 VanDerWaalsContact O-CG 3.31Å; N575-N579 PolarHBondContact O-N 2.75Å
576	E	94.2	Very high	92.7	Very high	55 Å²	55	73.1 Å²	73.1	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-43.4	172.8	-165.8	-171.2	163.9	0	0	112	Y562 E572 K573 I574 N579 K580	Y562-E576 PolarHBondContact OH-OE1 3.37Å; E572-E576 PolarHBondContact O-N 3.15Å; K573-E576 WeakPolarHBondContact CD-OE2 3.47Å; K573-E576 WeakPolarHBondContact CE-OE2 3.24Å; K573-E576 IonicContact NZ-OE2 2.68Å; K573-E576 PolarHBondContact NZ-OE2 3.39Å; K573-E576 PolarHBondContact O-N 3.14Å; I574-E576 PolarHBondContact O-N 2.86Å; E576-N579 PolarHBondContact O-N 3.39Å; E576-K580 HydrophobicContact CG-CD 4.26Å; E576-K580 WeakPolarHBondContact O-CB 3.36Å; E576-K580 WeakPolarHBondContact O-CG 3.42Å; E576-K580 PolarHBondContact O-N 2.77Å; E576-K580 IonicContact OE1-NZ 3.83Å; E576-K580 PolarHBondContact OE1-NZ 3.37Å
577	I	94.9	Very high	93.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-38.2	176.1	-64.3	159.5	0	0	0	111.4	L559 Y562 K573 I574 N575 K580 T581 V588 F592	L559-I577 HydrophobicContact CD2-CG2 3.74Å; Y562-I577 HydrophobicContact CD1-CD1 3.55Å; Y562-I577 HydrophobicContact CD1-CG1 3.48Å; Y562-I577 VanDerWaalsContact CD1-CG1 3.48Å; Y562-I577 HydrophobicContact CD2-CD1 4.4Å; Y562-I577 HydrophobicContact CD2-CG1 3.94Å; Y562-I577 HydrophobicContact CE1-CD1 4.29Å; Y562-I577 HydrophobicContact CE1-CG1 3.75Å; Y562-I577 HydrophobicContact CE2-CG1 4.19Å; Y562-I577 HydrophobicContact CG-CD1 3.6Å; Y562-I577 HydrophobicContact CG-CG1 3.56Å; K573-I577 VanDerWaalsContact O-CD1 3.26Å; K573-I577 WeakPolarHBondContact O-CD1 3.38Å; K573-I577 WeakPolarHBondContact O-CG1 3.42Å; K573-I577 PolarHBondContact O-N 2.99Å; I574-I577 PolarHBondContact O-N 3.21Å; N575-I577 VanDerWaalsContact C-N 3.32Å; N575-I577 PolarHBondContact O-N 2.96Å; I577-K580 PolarHBondContact O-N 3.09Å; I577-T581 HydrophobicContact CG2-CG2 4.14Å; I577-T581 WeakPolarHBondContact O-CB 3.44Å; I577-T581 WeakPolarHBondContact O-CG2 3.46Å; I577-T581 PolarHBondContact O-N 3.26Å; I577-T581 PolarHBondContact O-OG1 3.17Å; I577-V588 HydrophobicContact CB-CG1 4.14Å; I577-V588 HydrophobicContact CG2-CG1 3.62Å; I577-V588 HydrophobicContact CG2-CG2 4.24Å; I577-F592 HydrophobicContact CD1-CE2 3.75Å; I577-F592 HydrophobicContact CD1-CZ 3.74Å
578	C	95.1	Very high	93.3	Very high	14 Å²	14	67.6 Å²	67.6	10%	0.095	36%	0.361	C	S	.	.	H	α-helix	trans	-60.4	-49.8	175.9	-64.4	0	0	0	0	110.6	I574 N575 K580 T581 G582 L583 E585	I574-C578 PolarHBondContact O-N 3.31Å; I574-C578 PolarHBondContact O-SG 3.02Å; N575-C578 WeakPolarHBondContact O-CB 3.39Å; N575-C578 PolarHBondContact O-N 3.18Å; C578-K580 VanDerWaalsContact C-N 3.34Å; C578-K580 PolarHBondContact O-N 3.47Å; C578-T581 PolarHBondContact O-N 2.84Å; C578-G582 PolarHBondContact O-N 3.47Å; C578-L583 WeakPolarHBondContact CB-O 3.42Å; C578-E585 WeakPolarHBondContact SG-CA 3.31Å
579	N	94.5	Very high	93.5	Very high	140 Å²	140	67.3 Å²	67.3	75%	0.749	35%	0.351	S	S	*	.	H	α-helix	trans	-59.8	-43.3	177.7	-66.4	-10.2	0	0	0	111.5	N575 E576 T581	N575-N579 VanDerWaalsContact O-CG 3.31Å; N575-N579 PolarHBondContact O-N 2.75Å; E576-N579 PolarHBondContact O-N 3.39Å; N579-T581 PolarHBondContact O-N 3.06Å
580	K	93.8	Very high	93.6	Very high	111 Å²	111	70.5 Å²	70.5	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-73.1	-19.4	179	-74.7	174.8	176.3	174.5	0	114.7	I558 Y562 E576 I577 C578	I558-K580 WeakPolarHBondContact CD1-O 3.26Å; I558-K580 HydrophobicContact CG2-CB 4.29Å; Y562-K580 VanDerWaalsContact OH-CD 3.28Å; Y562-K580 WeakPolarHBondContact OH-CD 3.47Å; Y562-K580 PolarHBondContact OH-NZ 2.87Å; E576-K580 HydrophobicContact CG-CD 4.26Å; E576-K580 WeakPolarHBondContact O-CB 3.36Å; E576-K580 WeakPolarHBondContact O-CG 3.42Å; E576-K580 PolarHBondContact O-N 2.77Å; E576-K580 IonicContact OE1-NZ 3.83Å; E576-K580 PolarHBondContact OE1-NZ 3.37Å; I577-K580 PolarHBondContact O-N 3.09Å; C578-K580 VanDerWaalsContact C-N 3.34Å; C578-K580 PolarHBondContact O-N 3.47Å
581	T	93.6	Very high	93.8	Very high	10 Å²	10	69.3 Å²	69.3	6%	0.061	35%	0.35	C	S	.	.	H	α-helix	trans	-112.2	-13.8	-176.6	58.9	0	0	0	0	114.8	Q555 I558 I577 C578 N579 L583	Q555-T581 HydrophobicContact CB-CG2 4.47Å; Q555-T581 PolarHBondContact NE2-O 3.04Å; I558-T581 HydrophobicContact CB-CG2 3.83Å; I558-T581 HydrophobicContact CD1-CG2 4.09Å; I558-T581 HydrophobicContact CG2-CG2 3.61Å; I577-T581 HydrophobicContact CG2-CG2 4.14Å; I577-T581 WeakPolarHBondContact O-CB 3.44Å; I577-T581 WeakPolarHBondContact O-CG2 3.46Å; I577-T581 PolarHBondContact O-N 3.26Å; I577-T581 PolarHBondContact O-OG1 3.17Å; C578-T581 PolarHBondContact O-N 2.84Å; N579-T581 PolarHBondContact O-N 3.06Å; T581-L583 HydrophobicContact CG2-CD1 4.4Å; T581-L583 PolarHBondContact O-N 2.92Å; T581-L583 WeakPolarHBondContact OG1-CB 3.45Å; T581-L583 WeakPolarHBondContact OG1-CG 3.39Å; T581-L583 PolarHBondContact OG1-N 3.33Å
582	G	92.8	Very high	94	Very high	72 Å²	72	65.2 Å²	65.2	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	18.1	-170.6	0	0	0	0	0	113.5	C578	C578-G582 PolarHBondContact O-N 3.47Å
583	L	93.6	Very high	93.9	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.094	33%	0.325	C	S	.	.			trans	-96.3	143.7	-178.2	-63.4	173.4	0	0	0	111.1	L551 Q555 L559 C578 T581 V587 V588	L551-L583 HydrophobicContact CD2-CD1 3.71Å; L551-L583 HydrophobicContact CD2-CD2 3.55Å; L551-L583 HydrophobicContact CD2-CG 4.3Å; Q555-L583 HydrophobicContact CB-CD1 4.37Å; L559-L583 HydrophobicContact CD1-CD1 3.88Å; C578-L583 WeakPolarHBondContact CB-O 3.42Å; T581-L583 HydrophobicContact CG2-CD1 4.4Å; T581-L583 PolarHBondContact O-N 2.92Å; T581-L583 WeakPolarHBondContact OG1-CB 3.45Å; T581-L583 WeakPolarHBondContact OG1-CG 3.39Å; T581-L583 PolarHBondContact OG1-N 3.33Å; L583-V587 HydrophobicContact CD2-CG1 4.44Å; L583-V588 HydrophobicContact CB-CG2 3.79Å; L583-V588 HydrophobicContact CD1-CG2 4.35Å
584	Q	93	Very high	93.9	Very high	145 Å²	145	65.1 Å²	65.1	68%	0.678	32%	0.323	S	S	*	.			trans	-60.8	138.6	169.3	-66.1	178.7	-10.1	0	0	110.5	K586 V587 V588	Q584-K586 PolarHBondContact O-N 3.39Å; Q584-K586 VanDerWaalsContact O-N 3.11Å; Q584-V587 HydrophobicContact CB-CG2 4.22Å; Q584-V587 WeakPolarHBondContact O-CA 3.2Å; Q584-V587 VanDerWaalsContact O-CB 3.3Å; Q584-V587 WeakPolarHBondContact O-CB 3.42Å; Q584-V587 PolarHBondContact O-N 3.01Å; Q584-V588 PolarHBondContact O-N 3.44Å; Q584-V588 VanDerWaalsContact O-N 3.14Å
585	E	93.4	Very high	93.8	Very high	90 Å²	90	65.8 Å²	65.8	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-44.9	-44.4	175.7	-170.2	-142.1	138.7	0	0	113.3	I574 C578 V587 V588 K589	I574-E585 HydrophobicContact CG2-CG 3.66Å; C578-E585 WeakPolarHBondContact SG-CA 3.31Å; E585-V587 VanDerWaalsContact C-N 3.27Å; E585-V587 PolarHBondContact O-N 3.43Å; E585-V588 PolarHBondContact O-N 2.87Å; E585-V588 VanDerWaalsContact O-N 3.14Å; E585-K589 HydrophobicContact CG-CD 4.22Å; E585-K589 WeakPolarHBondContact O-CB 3.31Å; E585-K589 PolarHBondContact O-N 3.11Å; E585-K589 VanDerWaalsContact OE1-CD 3.3Å; E585-K589 WeakPolarHBondContact OE1-CD 3.45Å; E585-K589 WeakPolarHBondContact OE1-CE 3.36Å; E585-K589 IonicContact OE1-NZ 2.61Å; E585-K589 PolarHBondContact OE1-NZ 2.92Å
586	K	93.3	Very high	93.6	Very high	172 Å²	172	63 Å²	63	75%	0.748	31%	0.312	S	S	*	.	H	α-helix	trans	-60.9	-30.4	176.1	-170.2	169.5	-173	164.7	0	113.8	Q584 H590	Q584-K586 PolarHBondContact O-N 3.39Å; Q584-K586 VanDerWaalsContact O-N 3.11Å; K586-H590 WeakPolarHBondContact O-CB 3.44Å; K586-H590 PolarHBondContact O-N 2.99Å
587	V	93.9	Very high	93.1	Very high	30 Å²	30	66.1 Å²	66.1	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-76.8	-42.7	174.2	179.4	0	0	0	0	110.2	L551 L583 Q584 E585 H590 W591	L551-V587 HydrophobicContact CD2-CG1 4.18Å; L583-V587 HydrophobicContact CD2-CG1 4.44Å; Q584-V587 HydrophobicContact CB-CG2 4.22Å; Q584-V587 WeakPolarHBondContact O-CA 3.2Å; Q584-V587 VanDerWaalsContact O-CB 3.3Å; Q584-V587 WeakPolarHBondContact O-CB 3.42Å; Q584-V587 PolarHBondContact O-N 3.01Å; E585-V587 VanDerWaalsContact C-N 3.27Å; E585-V587 PolarHBondContact O-N 3.43Å; V587-H590 PolarHBondContact O-N 3.33Å; V587-W591 WeakPolarHBondContact O-CB 3.41Å; V587-W591 PolarHBondContact O-N 3.43Å
588	V	94.7	Very high	92.6	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-55.9	177.4	-178.5	0	0	0	0	110.8	L559 I574 I577 L583 Q584 E585 H590 W591 F592	L559-V588 HydrophobicContact CD2-CG1 3.97Å; L559-V588 HydrophobicContact CD2-CG2 4.49Å; I574-V588 HydrophobicContact CD1-CG1 3.74Å; I574-V588 HydrophobicContact CG2-CB 4.48Å; I574-V588 HydrophobicContact CG2-CG1 4.32Å; I577-V588 HydrophobicContact CB-CG1 4.14Å; I577-V588 HydrophobicContact CG2-CG1 3.62Å; I577-V588 HydrophobicContact CG2-CG2 4.24Å; L583-V588 HydrophobicContact CB-CG2 3.79Å; L583-V588 HydrophobicContact CD1-CG2 4.35Å; Q584-V588 PolarHBondContact O-N 3.44Å; Q584-V588 VanDerWaalsContact O-N 3.14Å; E585-V588 PolarHBondContact O-N 2.87Å; E585-V588 VanDerWaalsContact O-N 3.14Å; V588-H590 VanDerWaalsContact C-N 3.25Å; V588-H590 PolarHBondContact O-N 3.18Å; V588-W591 WeakPolarHBondContact O-CA 2.76Å; V588-W591 WeakPolarHBondContact O-CB 3.36Å; V588-W591 PolarHBondContact O-N 3.35Å; V588-F592 HydrophobicContact CG1-CD2 3.9Å; V588-F592 HydrophobicContact CG1-CE2 3.92Å; V588-F592 WeakPolarHBondContact O-CD2 3.29Å; V588-F592 PolarHBondContact O-N 3.13Å
589	K	93.8	Very high	92	Very high	73 Å²	73	74.5 Å²	74.5	32%	0.317	36%	0.361	S	S	.	.	H	α-helix	trans	-56	-38.2	175.9	-73	-177.7	170.6	174.3	0	112.5	D571 I574 E585 R593	D571-K589 WeakPolarHBondContact OD1-CE 3.42Å; D571-K589 IonicContact OD1-NZ 3.81Å; D571-K589 PolarHBondContact OD1-NZ 2.75Å; I574-K589 HydrophobicContact CD1-CG 3.83Å; I574-K589 HydrophobicContact CG1-CG 4.06Å; I574-K589 HydrophobicContact CG2-CD 4.48Å; I574-K589 HydrophobicContact CG2-CG 3.96Å; E585-K589 HydrophobicContact CG-CD 4.22Å; E585-K589 WeakPolarHBondContact O-CB 3.31Å; E585-K589 PolarHBondContact O-N 3.11Å; E585-K589 VanDerWaalsContact OE1-CD 3.3Å; E585-K589 WeakPolarHBondContact OE1-CD 3.45Å; E585-K589 WeakPolarHBondContact OE1-CE 3.36Å; E585-K589 IonicContact OE1-NZ 2.61Å; E585-K589 PolarHBondContact OE1-NZ 2.92Å; K589-R593 WeakPolarHBondContact O-CB 3.43Å; K589-R593 PolarHBondContact O-N 3.5Å; K589-R593 VanDerWaalsContact O-N 3.1Å
590	H	92	Very high	91.4	Very high	88 Å²	88	74.8 Å²	74.8	41%	0.407	35%	0.352	S	S	.	.	H	α-helix	trans	-71.6	-34.7	175.7	-173.4	52.4	0	0	0	112.7	K586 V587 V588 R593 N594	K586-H590 WeakPolarHBondContact O-CB 3.44Å; K586-H590 PolarHBondContact O-N 2.99Å; V587-H590 PolarHBondContact O-N 3.33Å; V588-H590 VanDerWaalsContact C-N 3.25Å; V588-H590 PolarHBondContact O-N 3.18Å; H590-R593 PolarHBondContact ND1-NH2 3.2Å; H590-N594 PolarHBondContact CD2-ND2 3.02Å; H590-N594 VanDerWaalsContact CD2-ND2 3.34Å; H590-N594 PolarHBondContact CE1-ND2 2.81Å; H590-N594 PolarHBondContact CE1-OD1 3.3Å; H590-N594 VanDerWaalsContact CE1-OD1 3.25Å; H590-N594 PolarHBondContact ND1-ND2 3.48Å; H590-N594 PolarHBondContact NE2-ND2 2.81Å; H590-N594 WeakPolarHBondContact O-CB 2.96Å; H590-N594 PolarHBondContact O-N 3.33Å; H590-N594 PolarHBondContact O-ND2 2.7Å
591	W	95.4	Very high	90.2	Very high	35 Å²	35	73.7 Å²	73.7	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-53.2	173	-175.4	100	0	0	0	110.5	L551 L559 F563 V587 V588 R593 N594 T595	L551-W591 VanDerWaalsContact CD1-CD1 3.44Å; L551-W591 HydrophobicContact CD1-CG 4.41Å; L559-W591 VanDerWaalsContact C-CH2 3.49Å; L559-W591 HydrophobicContact CB-CD2 3.9Å; L559-W591 HydrophobicContact CB-CE3 3.91Å; L559-W591 HydrophobicContact CB-CH2 3.79Å; L559-W591 HydrophobicContact CB-CZ2 3.73Å; L559-W591 HydrophobicContact CB-CZ3 3.87Å; L559-W591 HydrophobicContact CD1-CD2 4.03Å; L559-W591 HydrophobicContact CD1-CG 3.94Å; L559-W591 HydrophobicContact CD2-CD2 4.14Å; L559-W591 HydrophobicContact CD2-CE3 4.01Å; L559-W591 HydrophobicContact CD2-CG 4.4Å; L559-W591 HydrophobicContact CG-CD2 4.26Å; L559-W591 HydrophobicContact CG-CE3 4.42Å; L559-W591 VanDerWaalsContact O-CH2 3.3Å; L559-W591 WeakPolarHBondContact O-CH2 3.42Å; L559-W591 VanDerWaalsContact O-CZ3 3.28Å; L559-W591 WeakPolarHBondContact O-CZ3 3.19Å; F563-W591 HydrophobicContact CB-CH2 4.01Å; F563-W591 HydrophobicContact CB-CZ3 3.88Å; F563-W591 HydrophobicContact CD2-CH2 4.43Å; F563-W591 AromaticContact CD2-CZ3 3.92Å; F563-W591 HydrophobicContact CD2-CZ3 3.92Å; F563-W591 HydrophobicContact CG-CH2 4.24Å; F563-W591 HydrophobicContact CG-CZ3 4.1Å; V587-W591 WeakPolarHBondContact O-CB 3.41Å; V587-W591 PolarHBondContact O-N 3.43Å; V588-W591 WeakPolarHBondContact O-CA 2.76Å; V588-W591 WeakPolarHBondContact O-CB 3.36Å; V588-W591 PolarHBondContact O-N 3.35Å; W591-R593 PolarHBondContact O-N 2.92Å; W591-N594 PolarHBondContact O-N 3.08Å; W591-N594 VanDerWaalsContact O-N 3.1Å; W591-T595 HydrophobicContact CH2-CG2 4.01Å; W591-T595 HydrophobicContact CZ2-CG2 4.36Å; W591-T595 HydrophobicContact CZ3-CG2 4.35Å; W591-T595 PolarHBondContact O-N 3.15Å; W591-T595 PolarHBondContact O-OG1 3.28Å; W591-T595 VanDerWaalsContact O-OG1 3.08Å
592	F	95.9	Very high	89.1	Confident	10 Å²	10	79.2 Å²	79.2	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-55.5	-51	178.9	-88.6	-93.1	0	0	0	111.6	L559 F563 P569 I574 I577 V588 N594 T595 L596	L559-F592 HydrophobicContact CD2-CD2 4.4Å; L559-F592 HydrophobicContact CD2-CE2 3.86Å; F563-F592 HydrophobicContact CB-CE1 3.89Å; F563-F592 HydrophobicContact CB-CZ 4.38Å; F563-F592 AromaticContact CD2-CD1 3.72Å; F563-F592 HydrophobicContact CD2-CD1 3.72Å; F563-F592 AromaticContact CD2-CE1 3.89Å; F563-F592 HydrophobicContact CD2-CE1 3.89Å; F563-F592 HydrophobicContact CG-CE1 4.4Å; P569-F592 HydrophobicContact CG-CD1 3.64Å; P569-F592 HydrophobicContact CG-CD2 4.31Å; P569-F592 HydrophobicContact CG-CE1 3.55Å; P569-F592 HydrophobicContact CG-CE2 4.25Å; P569-F592 HydrophobicContact CG-CG 4.05Å; P569-F592 HydrophobicContact CG-CZ 3.9Å; I574-F592 HydrophobicContact CD1-CD2 4.23Å; I577-F592 HydrophobicContact CD1-CE2 3.75Å; I577-F592 HydrophobicContact CD1-CZ 3.74Å; V588-F592 HydrophobicContact CG1-CD2 3.9Å; V588-F592 HydrophobicContact CG1-CE2 3.92Å; V588-F592 WeakPolarHBondContact O-CD2 3.29Å; V588-F592 PolarHBondContact O-N 3.13Å; F592-N594 VanDerWaalsContact C-N 3.3Å; F592-N594 PolarHBondContact O-N 2.54Å; F592-T595 PolarHBondContact O-N 3.12Å; F592-L596 WeakPolarHBondContact O-CB 3.37Å; F592-L596 PolarHBondContact O-N 3.29Å
593	R	92.1	Very high	87.4	Confident	162 Å²	162	79.8 Å²	79.8	61%	0.611	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-38.8	177.8	-167.1	179.3	73.2	-146.9	5.7	112.9	K589 H590 W591 F597	K589-R593 WeakPolarHBondContact O-CB 3.43Å; K589-R593 PolarHBondContact O-N 3.5Å; K589-R593 VanDerWaalsContact O-N 3.1Å; H590-R593 PolarHBondContact ND1-NH2 3.2Å; W591-R593 PolarHBondContact O-N 2.92Å; R593-F597 VanDerWaalsContact O-CB 3.24Å; R593-F597 WeakPolarHBondContact O-CB 3.47Å; R593-F597 PolarHBondContact O-N 3.41Å
594	N	92.7	Very high	85.4	Confident	55 Å²	55	84.2 Å²	84.2	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-74	-35.2	178.4	-71.8	-20.6	0	0	0	112.9	H590 W591 F592 K598	H590-N594 PolarHBondContact CD2-ND2 3.02Å; H590-N594 VanDerWaalsContact CD2-ND2 3.34Å; H590-N594 PolarHBondContact CE1-ND2 2.81Å; H590-N594 PolarHBondContact CE1-OD1 3.3Å; H590-N594 VanDerWaalsContact CE1-OD1 3.25Å; H590-N594 PolarHBondContact ND1-ND2 3.48Å; H590-N594 PolarHBondContact NE2-ND2 2.81Å; H590-N594 WeakPolarHBondContact O-CB 2.96Å; H590-N594 PolarHBondContact O-N 3.33Å; H590-N594 PolarHBondContact O-ND2 2.7Å; W591-N594 PolarHBondContact O-N 3.08Å; W591-N594 VanDerWaalsContact O-N 3.1Å; F592-N594 VanDerWaalsContact C-N 3.3Å; F592-N594 PolarHBondContact O-N 2.54Å; N594-K598 VanDerWaalsContact O-CG 3.28Å; N594-K598 WeakPolarHBondContact O-CG 3.43Å; N594-K598 PolarHBondContact O-N 3Å; N594-K598 VanDerWaalsContact O-N 3.14Å
595	T	92.8	Very high	83.3	Confident	20 Å²	20	84 Å²	84	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-69.9	-50.6	176.6	-57.8	0	0	0	0	109.3	F563 W591 F592 F597 K598 E599	F563-T595 HydrophobicContact CD1-CG2 4.11Å; F563-T595 HydrophobicContact CD2-CG2 4.02Å; F563-T595 HydrophobicContact CE1-CG2 3.76Å; F563-T595 HydrophobicContact CE2-CG2 3.68Å; F563-T595 HydrophobicContact CG-CG2 4.24Å; F563-T595 HydrophobicContact CZ-CG2 3.54Å; W591-T595 HydrophobicContact CH2-CG2 4.01Å; W591-T595 HydrophobicContact CZ2-CG2 4.36Å; W591-T595 HydrophobicContact CZ3-CG2 4.35Å; W591-T595 PolarHBondContact O-N 3.15Å; W591-T595 PolarHBondContact O-OG1 3.28Å; W591-T595 VanDerWaalsContact O-OG1 3.08Å; F592-T595 PolarHBondContact O-N 3.12Å; T595-F597 VanDerWaalsContact C-N 3.29Å; T595-F597 PolarHBondContact O-N 3.46Å; T595-K598 WeakPolarHBondContact O-CB 3.43Å; T595-K598 PolarHBondContact O-N 2.87Å; T595-E599 PolarHBondContact O-N 3.09Å
596	L	90.2	Very high	81	Confident	23 Å²	23	82.7 Å²	82.7	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-36.4	175.5	-172.3	59.2	0	0	0	113.2	F563 N567 F592 R600	F563-L596 HydrophobicContact CE2-CB 4.02Å; F563-L596 HydrophobicContact CZ-CB 4.31Å; F563-L596 HydrophobicContact CZ-CD1 4.36Å; N567-L596 HydrophobicContact CB-CD1 3.85Å; F592-L596 WeakPolarHBondContact O-CB 3.37Å; F592-L596 PolarHBondContact O-N 3.29Å; L596-R600 PolarHBondContact O-N 2.58Å; L596-R600 PolarHBondContact O-NE 3.42Å
597	F	84.4	Confident	78.8	Confident	120 Å²	120	78.3 Å²	78.3	53%	0.526	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-45.8	172.5	-175.6	-93.1	0	0	0	111.8	R593 T595 E599 R600 Q601	R593-F597 VanDerWaalsContact O-CB 3.24Å; R593-F597 WeakPolarHBondContact O-CB 3.47Å; R593-F597 PolarHBondContact O-N 3.41Å; T595-F597 VanDerWaalsContact C-N 3.29Å; T595-F597 PolarHBondContact O-N 3.46Å; F597-E599 VanDerWaalsContact C-N 3.34Å; F597-E599 PolarHBondContact O-N 3.12Å; F597-R600 PolarHBondContact O-N 3.47Å; F597-Q601 HydrophobicContact CD1-CG 4.05Å; F597-Q601 HydrophobicContact CE1-CG 3.69Å; F597-Q601 HydrophobicContact CZ-CG 4.02Å; F597-Q601 VanDerWaalsContact O-CG 3.28Å; F597-Q601 WeakPolarHBondContact O-CG 3.33Å; F597-Q601 PolarHBondContact O-N 3.29Å; F597-Q601 VanDerWaalsContact O-N 3.07Å
598	K	82.8	Confident	76.5	Confident	128 Å²	128	85.9 Å²	85.9	56%	0.557	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-40.6	176	-69.4	163.8	-171.6	166.7	0	112.1	N594 T595 R600 Q601 K602	N594-K598 VanDerWaalsContact O-CG 3.28Å; N594-K598 WeakPolarHBondContact O-CG 3.43Å; N594-K598 PolarHBondContact O-N 3Å; N594-K598 VanDerWaalsContact O-N 3.14Å; T595-K598 WeakPolarHBondContact O-CB 3.43Å; T595-K598 PolarHBondContact O-N 2.87Å; K598-R600 VanDerWaalsContact C-N 3.34Å; K598-R600 PolarHBondContact O-N 3.5Å; K598-Q601 CarbonylContact O-C 3.52Å; K598-Q601 WeakPolarHBondContact O-CA 3.24Å; K598-Q601 PolarHBondContact O-N 3.39Å; K598-K602 PolarHBondContact O-N 3.19Å
599	E	83.9	Confident	74.3	Confident	63 Å²	63	87.3 Å²	87.3	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-47	-179.4	-141.2	56.8	-148.1	0	0	110.7	T595 F597 Q601 K602 N603	T595-E599 PolarHBondContact O-N 3.09Å; F597-E599 VanDerWaalsContact C-N 3.34Å; F597-E599 PolarHBondContact O-N 3.12Å; E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 2.88Å; E599-K602 PolarHBondContact O-N 3.31Å; E599-K602 IonicContact OE1-NZ 3.63Å; E599-K602 PolarHBondContact OE1-NZ 2.85Å; E599-K602 WeakPolarHBondContact OE2-CE 3.37Å; E599-K602 IonicContact OE2-NZ 3.09Å; E599-K602 PolarHBondContact OE2-NZ 3.01Å; E599-N603 PolarHBondContact O-N 2.95Å
600	R	80.8	Confident	71.9	Confident	146 Å²	146	92.7 Å²	92.7	55%	0.551	42%	0.423	S	S	*	.	H	α-helix	trans	-63.8	-31.3	172.6	-70.8	-175.7	-72.4	-139.6	3.4	113.7	L596 F597 K598	L596-R600 PolarHBondContact O-N 2.58Å; L596-R600 PolarHBondContact O-NE 3.42Å; F597-R600 PolarHBondContact O-N 3.47Å; K598-R600 VanDerWaalsContact C-N 3.34Å; K598-R600 PolarHBondContact O-N 3.5Å
601	Q	68.5	Low	70.3	Confident	88 Å²	88	91 Å²	91	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-76	-34.8	176.4	-66.5	-65.6	-30	0	0	113.1	F597 K598 E599 N603 K604	F597-Q601 HydrophobicContact CD1-CG 4.05Å; F597-Q601 HydrophobicContact CE1-CG 3.69Å; F597-Q601 HydrophobicContact CZ-CG 4.02Å; F597-Q601 VanDerWaalsContact O-CG 3.28Å; F597-Q601 WeakPolarHBondContact O-CG 3.33Å; F597-Q601 PolarHBondContact O-N 3.29Å; F597-Q601 VanDerWaalsContact O-N 3.07Å; K598-Q601 CarbonylContact O-C 3.52Å; K598-Q601 WeakPolarHBondContact O-CA 3.24Å; K598-Q601 PolarHBondContact O-N 3.39Å; E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 2.88Å; Q601-N603 PolarHBondContact O-N 3.36Å; Q601-K604 PolarHBondContact O-N 3.37Å; Q601-K604 VanDerWaalsContact OE1-CD 3.31Å
602	K	71.4	Confident	67.9	Low	125 Å²	125	93.4 Å²	93.4	54%	0.543	44%	0.435	S	S	.	.	H	α-helix	trans	-55.4	-41.1	169.7	-64	176.2	-166	169.8	0	110.7	K598 E599 K604	K598-K602 PolarHBondContact O-N 3.19Å; E599-K602 PolarHBondContact O-N 3.31Å; E599-K602 IonicContact OE1-NZ 3.63Å; E599-K602 PolarHBondContact OE1-NZ 2.85Å; E599-K602 WeakPolarHBondContact OE2-CE 3.37Å; E599-K602 IonicContact OE2-NZ 3.09Å; E599-K602 PolarHBondContact OE2-NZ 3.01Å; K602-K604 VanDerWaalsContact C-N 3.25Å; K602-K604 PolarHBondContact O-N 3.15Å
603	N	56	Low	65.2	Low	84 Å²	84	96 Å²	96	45%	0.449	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-79.2	-0.5	-174.9	-66.3	-4.2	0	0	0	113.7	E599 Q601 D605 N609	E599-N603 PolarHBondContact O-N 2.95Å; Q601-N603 PolarHBondContact O-N 3.36Å; N603-D605 VanDerWaalsContact C-N 3.31Å; N603-N609 WeakPolarHBondContact O-CB 3.47Å
604	K	51.7	Low	62.6	Low	112 Å²	112	92.5 Å²	92.5	49%	0.487	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-67.7	-33.5	170.8	-77.8	-159.5	74.7	-157.5	0	112.6	Q601 K602 N606 N609	Q601-K604 PolarHBondContact O-N 3.37Å; Q601-K604 VanDerWaalsContact OE1-CD 3.31Å; K602-K604 VanDerWaalsContact C-N 3.25Å; K602-K604 PolarHBondContact O-N 3.15Å; K604-N606 VanDerWaalsContact C-N 3.34Å; K604-N609 PolarHBondContact O-ND2 3.2Å
605	D	50.4	Low	60.4	Low	141 Å²	141	95.2 Å²	95.2	75%	0.754	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-95.4	8.9	-175	-48.5	-28.4	0	0	0	111.9	N603	N603-D605 VanDerWaalsContact C-N 3.31Å
606	N	44.9	Very low	58.1	Low	61 Å²	61	99.1 Å²	99.1	33%	0.326	50%	0.498	S	S	.	.	S	Bend	trans	-89.9	134.1	176.8	178.2	20.9	0	0	0	109.4	K604 Y608 N609	K604-N606 VanDerWaalsContact C-N 3.34Å; N606-Y608 PolarHBondContact O-N 3.34Å; N606-N609 WeakPolarHBondContact O-CB 3.11Å; N606-N609 PolarHBondContact O-N 2.91Å
607	P	47.2	Very low	56.1	Low	81 Å²	81	104.2 Å²	104.2	53%	0.526	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	3.4	175.5	26.3	-36.3	0	0	0	115.4
608	Y	45.8	Very low	54.7	Low	189 Å²	189	102.6 Å²	102.6	74%	0.741	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	17	166.8	-63.4	-91	0	0	0	112.6	N606 F610	N606-Y608 PolarHBondContact O-N 3.34Å; Y608-F610 PolarHBondContact O-N 3.07Å
609	N	48.4	Very low	53.3	Low	29 Å²	29	100.7 Å²	100.7	16%	0.155	53%	0.528	C	S	.	.			trans	-63.4	118.6	159.9	179.8	6	0	0	0	107.6	N603 K604 N606 S611 I612	N603-N609 WeakPolarHBondContact O-CB 3.47Å; K604-N609 PolarHBondContact O-ND2 3.2Å; N606-N609 WeakPolarHBondContact O-CB 3.11Å; N606-N609 PolarHBondContact O-N 2.91Å; N609-S611 PolarHBondContact O-N 3.07Å; N609-S611 WeakPolarHBondContact OD1-CB 3.46Å; N609-S611 PolarHBondContact OD1-N 2.72Å; N609-S611 VanDerWaalsContact OD1-N 3.11Å; N609-I612 HydrophobicContact CB-CG1 4.47Å; N609-I612 PolarHBondContact O-N 3.42Å
610	F	43.8	Very low	52.3	Low	187 Å²	187	102.8 Å²	102.8	82%	0.82	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.3	177.6	-69.2	-86.3	0	0	0	113.7	Y608 I612	Y608-F610 PolarHBondContact O-N 3.07Å; F610-I612 VanDerWaalsContact C-N 3.31Å
611	S	57.1	Low	51.6	Low	51 Å²	51	101.5 Å²	101.5	36%	0.357	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	8.9	173.1	-55.5	0	0	0	0	115.4	K77 E81 N609	K77-S611 PolarHBondContact NZ-OG 3.15Å; E81-S611 WeakPolarHBondContact OE1-CA 3.48Å; E81-S611 WeakPolarHBondContact OE1-CB 3.1Å; E81-S611 PolarHBondContact OE1-OG 2.93Å; N609-S611 PolarHBondContact O-N 3.07Å; N609-S611 WeakPolarHBondContact OD1-CB 3.46Å; N609-S611 PolarHBondContact OD1-N 2.72Å; N609-S611 VanDerWaalsContact OD1-N 3.11Å
612	I	44.7	Very low	51.5	Low	87 Å²	87	101.2 Å²	101.2	45%	0.446	54%	0.539	S	S	.	.	S	Bend	trans	-141.7	106.7	172.7	-55.2	175.5	0	0	0	107.2	N609 F610	N609-I612 HydrophobicContact CB-CG1 4.47Å; N609-I612 PolarHBondContact O-N 3.42Å; F610-I612 VanDerWaalsContact C-N 3.31Å
613	P	39.2	Very low	51	Low	63 Å²	63	101.7 Å²	101.7	41%	0.409	54%	0.539	S	S	.	.			trans	-66.3	143.2	176.7	27.6	-33.6	0	0	0	110.8	Y85 S615	Y85-P613 HydrophobicContact CD2-CG 4.22Å; Y85-P613 HydrophobicContact CE2-CG 4.47Å; P613-S615 PolarHBondContact O-N 3.23Å
614	P	38.3	Very low	51.8	Low	89 Å²	89	104.8 Å²	104.8	58%	0.578	55%	0.55	S	S	*	*			trans	-67.5	120.3	178.8	27.3	-33.8	0	0	0	110.5	T616	P614-T616 PolarHBondContact O-N 3.07Å
615	S	46.6	Very low	52.9	Low	112 Å²	112	107 Å²	107	78%	0.783	56%	0.56	S	S	*	*			trans	-71.4	92.3	179.7	57.2	0	0	0	0	111.5	P613 S617	P613-S615 PolarHBondContact O-N 3.23Å; S615-S617 PolarHBondContact O-N 2.83Å
616	T	45	Very low	53.8	Low	102 Å²	102	103.8 Å²	103.8	63%	0.626	55%	0.545	S	S	*	.			trans	-80.8	111.8	175.1	52.1	0	0	0	0	111	P614 L618	P614-T616 PolarHBondContact O-N 3.07Å; T616-L618 PolarHBondContact O-N 3.12Å
617	S	48.1	Very low	54.1	Low	131 Å²	131	103.9 Å²	103.9	92%	0.916	56%	0.561	S	S	*	*			trans	-74.7	60.5	168.9	60.9	0	0	0	0	111.3	S615	S615-S617 PolarHBondContact O-N 2.83Å
618	L	54.8	Low	54	Low	86 Å²	86	108.1 Å²	108.1	45%	0.45	57%	0.566	S	S	.	*			trans	-84.3	135.7	173.7	-78.9	165.3	0	0	0	109.5	T616 I620 I629	T616-L618 PolarHBondContact O-N 3.12Å; L618-I620 WeakPolarHBondContact O-CD1 3.34Å; L618-I620 PolarHBondContact O-N 3.08Å; L618-I629 HydrophobicContact CD2-CG2 3.62Å
619	N	52.9	Low	54.4	Low	88 Å²	88	103.6 Å²	103.6	47%	0.471	55%	0.554	S	S	.	*			trans	-81.7	96.3	176.7	-173.2	7.9	0	0	0	109.7	E621 E622 Y623	N619-E621 VanDerWaalsContact C-N 3.25Å; N619-E621 PolarHBondContact O-N 2.9Å; N619-E621 WeakPolarHBondContact OD1-CB 3.5Å; N619-E622 HydrophobicContact CB-CB 3.95Å; N619-E622 WeakPolarHBondContact CB-OE2 3.32Å; N619-E622 VanDerWaalsContact ND2-CB 3.33Å; N619-E622 WeakPolarHBondContact ND2-CB 3.44Å; N619-E622 PolarHBondContact ND2-OE2 3.23Å; N619-E622 PolarHBondContact O-N 3.4Å; N619-E622 VanDerWaalsContact O-N 3.15Å; N619-Y623 PolarHBondContact O-N 2.82Å
620	I	63.4	Low	54.2	Low	107 Å²	107	108.4 Å²	108.4	55%	0.549	58%	0.576	S	S	.	*	H	α-helix	trans	-56.5	-43.4	-178.7	-67.9	96.2	0	0	0	110.7	L618 E622 Y623 E624	L618-I620 WeakPolarHBondContact O-CD1 3.34Å; L618-I620 PolarHBondContact O-N 3.08Å; I620-E622 PolarHBondContact O-N 3.26Å; I620-Y623 PolarHBondContact O-N 2.84Å; I620-E624 HydrophobicContact CG2-CG 4.07Å; I620-E624 WeakPolarHBondContact O-CB 3.21Å; I620-E624 WeakPolarHBondContact O-CG 3.35Å; I620-E624 PolarHBondContact O-N 3.11Å
621	E	66	Low	54	Low	119 Å²	119	105 Å²	105	56%	0.556	57%	0.565	S	S	*	*	H	α-helix	trans	-55.7	-26.7	179.6	-144.3	81.2	-159	0	0	114.3	N619 K625	N619-E621 VanDerWaalsContact C-N 3.25Å; N619-E621 PolarHBondContact O-N 2.9Å; N619-E621 WeakPolarHBondContact OD1-CB 3.5Å; E621-K625 VanDerWaalsContact O-CD 3.28Å; E621-K625 WeakPolarHBondContact O-CD 3.36Å; E621-K625 VanDerWaalsContact O-CG 3.31Å; E621-K625 WeakPolarHBondContact O-CG 3.33Å; E621-K625 IonicContact OE1-NZ 2.65Å
622	E	65.1	Low	52.8	Low	82 Å²	82	110.3 Å²	110.3	38%	0.383	59%	0.59	S	S	.	*	H	α-helix	trans	-97.6	-36.6	-177	179.6	173.3	-167.3	0	0	111.4	N619 I620 K625 T626	N619-E622 HydrophobicContact CB-CB 3.95Å; N619-E622 WeakPolarHBondContact CB-OE2 3.32Å; N619-E622 VanDerWaalsContact ND2-CB 3.33Å; N619-E622 WeakPolarHBondContact ND2-CB 3.44Å; N619-E622 PolarHBondContact ND2-OE2 3.23Å; N619-E622 PolarHBondContact O-N 3.4Å; N619-E622 VanDerWaalsContact O-N 3.15Å; I620-E622 PolarHBondContact O-N 3.26Å; E622-K625 PolarHBondContact O-N 2.87Å; E622-T626 HydrophobicContact CG-CG2 4.44Å; E622-T626 WeakPolarHBondContact O-CB 3.31Å; E622-T626 WeakPolarHBondContact O-CG2 3.29Å; E622-T626 PolarHBondContact O-N 2.84Å; E622-T626 PolarHBondContact O-OG1 3.23Å
623	Y	62.4	Low	52	Low	135 Å²	135	111.9 Å²	111.9	53%	0.529	60%	0.599	S	S	.	*	H	α-helix	trans	-61.7	-45.5	170.2	179.7	-109.4	0	0	0	111.5	N619 I620 K625 G627 I629	N619-Y623 PolarHBondContact O-N 2.82Å; I620-Y623 PolarHBondContact O-N 2.84Å; Y623-K625 VanDerWaalsContact C-N 3.29Å; Y623-K625 PolarHBondContact O-N 3.14Å; Y623-G627 WeakPolarHBondContact O-CA 3.43Å; Y623-G627 PolarHBondContact O-N 2.94Å; Y623-I629 HydrophobicContact CD2-CG1 3.82Å; Y623-I629 HydrophobicContact CE2-CD1 4.37Å; Y623-I629 HydrophobicContact CE2-CG1 4.02Å
624	E	72.2	Confident	51.5	Low	149 Å²	149	116.7 Å²	116.7	70%	0.696	62%	0.621	S	S	*	*	H	α-helix	trans	-65.5	-28.4	178	-71.4	-175.4	172.2	0	0	113.2	I620	I620-E624 HydrophobicContact CG2-CG 4.07Å; I620-E624 WeakPolarHBondContact O-CB 3.21Å; I620-E624 WeakPolarHBondContact O-CG 3.35Å; I620-E624 PolarHBondContact O-N 3.11Å
625	K	74.8	Confident	51	Low	159 Å²	159	118.3 Å²	118.3	69%	0.691	63%	0.625	S	S	*	*	H	α-helix	trans	-88.7	-31.3	179.2	-75.5	175.2	-174.3	139.5	0	114.5	E621 E622 Y623	E621-K625 VanDerWaalsContact O-CD 3.28Å; E621-K625 WeakPolarHBondContact O-CD 3.36Å; E621-K625 VanDerWaalsContact O-CG 3.31Å; E621-K625 WeakPolarHBondContact O-CG 3.33Å; E621-K625 IonicContact OE1-NZ 2.65Å; E622-K625 PolarHBondContact O-N 2.87Å; Y623-K625 VanDerWaalsContact C-N 3.29Å; Y623-K625 PolarHBondContact O-N 3.14Å
626	T	68.3	Low	50.2	Low	72 Å²	72	115 Å²	115	44%	0.442	60%	0.602	S	S	.	*	H	α-helix	trans	-109.1	-21.7	-171.5	66.3	0	0	0	0	114.2	E622 R628	E622-T626 HydrophobicContact CG-CG2 4.44Å; E622-T626 WeakPolarHBondContact O-CB 3.31Å; E622-T626 WeakPolarHBondContact O-CG2 3.29Å; E622-T626 PolarHBondContact O-N 2.84Å; E622-T626 PolarHBondContact O-OG1 3.23Å; T626-R628 PolarHBondContact O-N 3.42Å; T626-R628 VanDerWaalsContact O-N 3.15Å; T626-R628 PolarHBondContact OG1-N 3.44Å; T626-R628 VanDerWaalsContact OG1-N 3.09Å; T626-R628 PolarHBondContact OG1-O 3.06Å
627	G	52.9	Low	49.5	Very low	63 Å²	63	119 Å²	119	65%	0.649	61%	0.611	S	S	*	*	S	Bend	trans	62.2	10.7	-167.8	0	0	0	0	0	113.9	Y623	Y623-G627 WeakPolarHBondContact O-CA 3.43Å; Y623-G627 PolarHBondContact O-N 2.94Å
628	R	44.9	Very low	49.1	Very low	170 Å²	170	121.9 Å²	121.9	64%	0.642	61%	0.607	S	S	*	*			trans	-118.9	148	-178.8	-69.2	-175.8	176.1	-170.5	-0.2	110	T626 E630	T626-R628 PolarHBondContact O-N 3.42Å; T626-R628 VanDerWaalsContact O-N 3.15Å; T626-R628 PolarHBondContact OG1-N 3.44Å; T626-R628 VanDerWaalsContact OG1-N 3.09Å; T626-R628 PolarHBondContact OG1-O 3.06Å; R628-E630 HydrophobicContact CB-CG 4.35Å
629	I	53.8	Low	48.1	Very low	94 Å²	94	124.4 Å²	124.4	48%	0.482	62%	0.617	S	S	.	*			trans	-103.9	92.8	167.8	-55.6	175.6	0	0	0	106	L618 Y623 L631	L618-I629 HydrophobicContact CD2-CG2 3.62Å; Y623-I629 HydrophobicContact CD2-CG1 3.82Å; Y623-I629 HydrophobicContact CE2-CD1 4.37Å; Y623-I629 HydrophobicContact CE2-CG1 4.02Å; I629-L631 VanDerWaalsContact C-N 3.28Å; I629-L631 HydrophobicContact CG2-CD2 3.66Å; I629-L631 HydrophobicContact CG2-CG 3.9Å; I629-L631 PolarHBondContact O-N 3.17Å
630	E	43.4	Very low	47.1	Very low	131 Å²	131	124.3 Å²	124.3	61%	0.612	62%	0.616	S	S	*	*			trans	-75.3	86.5	174.5	-59.6	-141.1	162.3	0	0	109.1	R628 N632	R628-E630 HydrophobicContact CB-CG 4.35Å; E630-N632 VanDerWaalsContact C-N 3.27Å; E630-N632 PolarHBondContact O-N 2.97Å
631	L	40.6	Very low	45.6	Very low	115 Å²	115	127 Å²	127	60%	0.602	62%	0.621	S	S	*	*			trans	-67.5	83	177.1	-69.1	177.6	0	0	0	110.3	I629 N633	I629-L631 VanDerWaalsContact C-N 3.28Å; I629-L631 HydrophobicContact CG2-CD2 3.66Å; I629-L631 HydrophobicContact CG2-CG 3.9Å; I629-L631 PolarHBondContact O-N 3.17Å; L631-N633 WeakPolarHBondContact O-CA 3.43Å; L631-N633 WeakPolarHBondContact O-CB 3.39Å; L631-N633 PolarHBondContact O-N 3.3Å; L631-N633 VanDerWaalsContact O-N 3.12Å
632	N	32.5	Very low	44.1	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	63%	0.628	S	S	*	*			trans	-61.6	116	175.1	-153.8	-13	0	0	0	109.4	E630 N634	E630-N632 VanDerWaalsContact C-N 3.27Å; E630-N632 PolarHBondContact O-N 2.97Å; N632-N634 PolarHBondContact O-N 3.24Å; N632-N634 VanDerWaalsContact O-N 3.08Å
633	N	28	Very low	42.8	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	64%	0.639	S	S	*	*	S	Bend	trans	-95.8	81.9	-133.8	-167.4	11.6	0	0	0	115.1	L631 N635	L631-N633 WeakPolarHBondContact O-CA 3.43Å; L631-N633 WeakPolarHBondContact O-CB 3.39Å; L631-N633 PolarHBondContact O-N 3.3Å; L631-N633 VanDerWaalsContact O-N 3.12Å; N633-N635 PolarHBondContact OD1-N 3.23Å
634	N	27.6	Very low	41.5	Very low	165 Å²	165	129.5 Å²	129.5	88%	0.882	64%	0.64	S	S	*	*			trans	-108.1	38.9	165.1	-83.6	-41.4	0	0	0	112.4	N632	N632-N634 PolarHBondContact O-N 3.24Å; N632-N634 VanDerWaalsContact O-N 3.08Å
635	N	27.7	Very low	39.7	Very low	122 Å²	122	131.3 Å²	131.3	65%	0.652	64%	0.642	S	S	*	*			trans	-121.4	134.7	-176	-95.6	-47.1	0	0	0	114.7	N633	N633-N635 PolarHBondContact OD1-N 3.23Å
636	S	29.7	Very low	37.8	Very low	43 Å²	43	129.6 Å²	129.6	30%	0.301	64%	0.64	S	S	.	*			trans	110.7	63.6	157	-151.4	0	0	0	0	119	K638 Q639	S636-K638 PolarHBondContact O-N 3.45Å; S636-Q639 VanDerWaalsContact OG-CB 3.31Å; S636-Q639 WeakPolarHBondContact OG-CB 3.49Å; S636-Q639 PolarHBondContact OG-N 2.88Å; S636-Q639 PolarHBondContact OG-OE1 3.23Å
637	F	31.7	Very low	35.9	Very low	185 Å²	185	132.4 Å²	132.4	81%	0.811	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	3.8	164.4	-110.9	-80	0	0	0	115.2
638	K	37.9	Very low	34.9	Very low	192 Å²	192	136.4 Å²	136.4	84%	0.835	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-19.2	-176.1	-86.8	-175.1	176.4	175.3	0	117.5	S636	S636-K638 PolarHBondContact O-N 3.45Å
639	Q	34.5	Very low	34.3	Very low	140 Å²	140	135.4 Å²	135.4	65%	0.654	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-29.5	170.6	-60.9	167.8	-34.8	0	0	111.5	S636 Y641 K642 L643	S636-Q639 VanDerWaalsContact OG-CB 3.31Å; S636-Q639 WeakPolarHBondContact OG-CB 3.49Å; S636-Q639 PolarHBondContact OG-N 2.88Å; S636-Q639 PolarHBondContact OG-OE1 3.23Å; Q639-Y641 VanDerWaalsContact C-N 3.31Å; Q639-Y641 PolarHBondContact O-N 3.08Å; Q639-K642 PolarHBondContact O-N 3.24Å; Q639-L643 PolarHBondContact O-N 2.93Å
640	N	31.8	Very low	33	Very low	86 Å²	86	137.2 Å²	137.2	46%	0.46	68%	0.677	S	S	.	*	H	α-helix	trans	-57.9	-40.8	-178.6	-131.9	-19	0	0	0	112.5	K642 L643 L644	N640-K642 PolarHBondContact O-N 2.84Å; N640-K642 VanDerWaalsContact O-N 3.09Å; N640-L643 PolarHBondContact O-N 3.43Å; N640-L643 VanDerWaalsContact O-N 3.14Å; N640-L644 HydrophobicContact CB-CD1 4.21Å; N640-L644 WeakPolarHBondContact O-CB 3.25Å; N640-L644 WeakPolarHBondContact O-CG 3.16Å; N640-L644 PolarHBondContact O-N 3.28Å; N640-L644 WeakPolarHBondContact OD1-CD1 3.32Å; N640-L644 WeakPolarHBondContact OD1-CG 3.02Å
641	Y	31.4	Very low	32.2	Very low	164 Å²	164	138.6 Å²	138.6	64%	0.643	69%	0.688	S	S	*	*	H	α-helix	trans	-61	-17.5	176.2	-85.3	-71.3	0	0	0	115.5	Q639 Y645	Q639-Y641 VanDerWaalsContact C-N 3.31Å; Q639-Y641 PolarHBondContact O-N 3.08Å; Y641-Y645 WeakPolarHBondContact O-CD2 3.08Å
642	K	35.3	Very low	31.7	Very low	162 Å²	162	140.5 Å²	140.5	70%	0.704	70%	0.699	S	S	*	*	H	α-helix	trans	-102.6	-15.1	176.2	-162.3	168.2	-178.6	-178.8	0	113.4	Q639 N640 L646	Q639-K642 PolarHBondContact O-N 3.24Å; N640-K642 PolarHBondContact O-N 2.84Å; N640-K642 VanDerWaalsContact O-N 3.09Å; K642-L646 WeakPolarHBondContact O-CD1 3.43Å
643	L	36.6	Very low	31.7	Very low	120 Å²	120	141.6 Å²	141.6	63%	0.628	70%	0.699	S	S	*	*	H	α-helix	trans	-93.4	-39.2	173.5	-71.8	167.8	0	0	0	111.9	Q639 N640 Y645 L646 N647	Q639-L643 PolarHBondContact O-N 2.93Å; N640-L643 PolarHBondContact O-N 3.43Å; N640-L643 VanDerWaalsContact O-N 3.14Å; L643-Y645 PolarHBondContact O-N 3.36Å; L643-L646 PolarHBondContact O-N 2.87Å; L643-N647 PolarHBondContact O-N 3.41Å; L643-N647 VanDerWaalsContact O-N 3.11Å
644	L	35.8	Very low	31.8	Very low	105 Å²	105	144.7 Å²	144.7	55%	0.55	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	-19.3	176.1	-70.5	168.1	0	0	0	113.9	N640	N640-L644 HydrophobicContact CB-CD1 4.21Å; N640-L644 WeakPolarHBondContact O-CB 3.25Å; N640-L644 WeakPolarHBondContact O-CG 3.16Å; N640-L644 PolarHBondContact O-N 3.28Å; N640-L644 WeakPolarHBondContact OD1-CD1 3.32Å; N640-L644 WeakPolarHBondContact OD1-CG 3.02Å
645	Y	34.4	Very low	32	Very low	188 Å²	188	143.7 Å²	143.7	74%	0.737	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-0.1	174.9	-84.6	-84.1	0	0	0	114.6	Y641 L643	Y641-Y645 WeakPolarHBondContact O-CD2 3.08Å; L643-Y645 PolarHBondContact O-N 3.36Å
646	L	34.4	Very low	32.4	Very low	122 Å²	122	143.8 Å²	143.8	64%	0.639	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-11.1	173.2	-88.9	84.2	0	0	0	113.8	K642 L643	K642-L646 WeakPolarHBondContact O-CD1 3.43Å; L643-L646 PolarHBondContact O-N 2.87Å
647	N	29.6	Very low	32.3	Very low	131 Å²	131	149.5 Å²	149.5	70%	0.701	72%	0.724	S	S	*	*	S	Bend	trans	-99.9	9.4	-176.2	-145.3	37.6	0	0	0	115.3	L643	L643-N647 PolarHBondContact O-N 3.41Å; L643-N647 VanDerWaalsContact O-N 3.11Å
648	N	31.6	Very low	32.4	Very low	147 Å²	147	146.6 Å²	146.6	79%	0.786	72%	0.717	S	S	*	*	S	Bend	trans	-106.5	10.8	-179.1	-90.8	-9	0	0	0	114.4
649	N	31.2	Very low	32.3	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	72%	0.716	S	S	*	*	S	Bend	trans	-126.1	11	-177.9	-87.1	-13.9	0	0	0	114.3
650	N	27.4	Very low	32	Very low	133 Å²	133	147.5 Å²	147.5	71%	0.711	72%	0.723	S	S	*	*			trans	-134.4	68.6	-179.4	-77.4	-46.3	0	0	0	111.1
651	N	26.2	Very low	31.8	Very low	159 Å²	159	149.6 Å²	149.6	85%	0.85	74%	0.735	S	S	*	*			trans	-160.7	66.1	167	-98.7	-34.4	0	0	0	110.4
652	N	30.1	Very low	31.7	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	74%	0.741	S	S	*	*	S	Bend	trans	-161.3	145.9	156.9	-102.2	-23	0	0	0	110.6
653	E	32.2	Very low	31.4	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	75%	0.745	S	S	*	*			trans	58.6	63.3	160.9	-57.8	-171	141.3	0	0	117.8	N655	E653-N655 PolarHBondContact O-N 3.41Å
654	Q	30.1	Very low	30.9	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	75%	0.751	S	S	*	*			trans	-62.7	104.4	149.3	177.7	92.9	4.6	0	0	110.2
655	N	32.3	Very low	30.4	Very low	143 Å²	143	150.6 Å²	150.6	77%	0.765	76%	0.759	S	S	*	*			trans	-169.3	136.3	151.2	-97.8	-30.6	0	0	0	112.2	E653	E653-N655 PolarHBondContact O-N 3.41Å
656	D	35.6	Very low	29.9	Very low	124 Å²	124	149 Å²	149	66%	0.663	76%	0.758	S	S	*	*			trans	51.2	143.9	161	-66.7	-30.4	0	0	0	121.3
657	K	28.9	Very low	29.5	Very low	163 Å²	163	148.9 Å²	148.9	71%	0.709	76%	0.763	S	S	*	*			cis	-173.8	160.6	-31.7	-120.9	-169.9	-155.8	88.1	0	107.1
658	D	32.9	Very low	29.4	Very low	124 Å²	124	150.5 Å²	150.5	66%	0.663	77%	0.771	S	S	*	*			trans	68	134.3	155.4	-62.9	-4.3	0	0	0	122.2
659	K	35.1	Very low	29.3	Very low	185 Å²	185	148.3 Å²	148.3	80%	0.804	77%	0.767	S	S	*	*			trans	74.4	103.8	159.9	-64.7	153.5	-171.2	164.6	0	116.7
660	M	29.4	Very low	29.3	Very low	166 Å²	166	146.4 Å²	146.4	82%	0.818	76%	0.757	S	S	*	*				83.4	114	58	-73.1	-76.5	-169.7	0	0	114.5
661	N	27.8	Very low	29.5	Very low	131 Å²	131	147.1 Å²	147.1	70%	0.701	76%	0.761	S	S	*	*			trans	12.2	122.2	139.6	-52.5	-11.9	0	0	0	117.6
662	N	28	Very low	29.7	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	76%	0.763	S	S	*	*				173.5	161.1	103.4	-92.7	-50.6	0	0	0	112.4
663	L	30.5	Very low	29.8	Very low	148 Å²	148	144.4 Å²	144.4	78%	0.775	75%	0.745	S	S	*	*			trans	67.6	125.6	167.1	-59.9	147.9	0	0	0	113.9
664	N	24.8	Very low	29.9	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	74%	0.739	S	S	*	*			cis	106	134.9	39.6	-90.8	1.7	0	0	0	111.1
665	L	24.9	Very low	30	Very low	137 Å²	137	142.7 Å²	142.7	72%	0.717	74%	0.742	S	S	*	*			trans	73.8	145.7	160.2	-103.3	60.5	0	0	0	120.5
666	E	25.8	Very low	30.3	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	74%	0.74	S	S	*	*			trans	59.9	100.4	146.7	-75.5	156	-156.4	0	0	120.5
667	T	25.3	Very low	30.2	Very low	120 Å²	120	142.8 Å²	142.8	74%	0.736	74%	0.735	S	S	*	*				30	113.9	125.3	54.4	0	0	0	0	118.4
668	N	27.3	Very low	30.4	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	74%	0.742	S	S	*	*				-147.2	133.6	128.3	-103.6	-50	0	0	0	112.1
669	S	29.1	Very low	30.4	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	75%	0.753	S	S	*	*			trans	-73.1	139.5	160.1	-59.2	0	0	0	0	108.7
670	N	31	Very low	30.3	Very low	109 Å²	109	145 Å²	145	58%	0.583	75%	0.75	S	S	*	*			trans	177.5	-37.7	143	-89.3	-28	0	0	0	112.5	L672 I673	N670-L672 VanDerWaalsContact C-N 3.26Å; N670-L672 PolarHBondContact O-N 2.91Å; N670-I673 WeakPolarHBondContact O-CG1 3.38Å; N670-I673 PolarHBondContact O-N 2.95Å
671	D	31.2	Very low	30.5	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	16.8	-158.7	-61.4	-34.2	0	0	0	117.3
672	L	31.4	Very low	30.7	Very low	169 Å²	169	144.5 Å²	144.5	89%	0.885	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	14.5	169.2	-136.1	79.1	0	0	0	114.2	N670	N670-L672 VanDerWaalsContact C-N 3.26Å; N670-L672 PolarHBondContact O-N 2.91Å
673	I	33.4	Very low	30.8	Very low	89 Å²	89	145.7 Å²	145.7	46%	0.456	76%	0.756	S	S	.	*	S	Bend	trans	-82.2	-34.4	179	-65.4	172.9	0	0	0	111.6	N670 M675 K676	N670-I673 WeakPolarHBondContact O-CG1 3.38Å; N670-I673 PolarHBondContact O-N 2.95Å; I673-M675 PolarHBondContact O-N 3.24Å; I673-K676 PolarHBondContact O-N 3.27Å; I673-K676 VanDerWaalsContact O-N 3.12Å
674	I	33.2	Very low	30.8	Very low	148 Å²	148	149 Å²	149	76%	0.759	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-6.4	-162.8	-65.9	173.1	0	0	0	115.6
675	M	33	Very low	31.1	Very low	186 Å²	186	147.7 Å²	147.7	92%	0.916	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	8.7	176.1	-93.1	-176.9	-82.9	0	0	115.7	I673	I673-M675 PolarHBondContact O-N 3.24Å
676	K	37.6	Very low	31.4	Very low	166 Å²	166	149.6 Å²	149.6	72%	0.722	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-18.8	175.5	-109.4	174.1	177.2	175.3	0	115	I673 K678	I673-K676 PolarHBondContact O-N 3.27Å; I673-K676 VanDerWaalsContact O-N 3.12Å; K676-K678 PolarHBondContact O-N 2.66Å
677	D	32.7	Very low	31.4	Very low	103 Å²	103	149.5 Å²	149.5	55%	0.551	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	23.2	-167.4	-57.9	-27.4	0	0	0	114.7
678	K	34.4	Very low	31.6	Very low	198 Å²	198	152.6 Å²	152.6	86%	0.861	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	9.3	-175.9	-102.8	179.1	178.4	175.7	0	116.7	K676	K676-K678 PolarHBondContact O-N 2.66Å
679	M	31.6	Very low	31.8	Very low	183 Å²	183	150.1 Å²	150.1	90%	0.901	78%	0.777	S	S	*	*	S	Bend	trans	-139.9	27	172.1	-70.1	-171.2	170.7	0	0	113.4
680	N	33.6	Very low	32	Very low	136 Å²	136	153 Å²	153	73%	0.727	78%	0.783	S	S	*	*	S	Bend	trans	-127.2	6.7	-175.4	-93.5	-12.8	0	0	0	115
681	N	33.4	Very low	31.8	Very low	131 Å²	131	155.9 Å²	155.9	70%	0.701	79%	0.793	S	S	*	*	S	Bend	trans	-109.7	-8.7	-171.2	-82.4	-36.5	0	0	0	116.2
682	D	33.3	Very low	31.6	Very low	157 Å²	157	155.2 Å²	155.2	84%	0.84	79%	0.789	S	S	*	*	S	Bend	trans	-96.6	11.9	-171.8	-64	-49.4	0	0	0	115
683	L	30.1	Very low	31.7	Very low	171 Å²	171	156.3 Å²	156.3	90%	0.895	79%	0.79	S	S	*	*	S	Bend	trans	-138.4	38.6	179.8	-141.3	85.7	0	0	0	114.3
684	Y	29.7	Very low	31.4	Very low	216 Å²	216	159.3 Å²	159.3	85%	0.847	81%	0.807	S	S	*	*	S	Bend	trans	-139.6	46	177.8	-129.1	-75.7	0	0	0	113.4
685	S	31.8	Very low	31.4	Very low	115 Å²	115	159.8 Å²	159.8	80%	0.804	81%	0.809	S	S	*	*			trans	-144.7	27.6	-179.7	-66.9	0	0	0	0	114.7
686	I	30.1	Very low	31.2	Very low	176 Å²	176	155.7 Å²	155.7	90%	0.903	79%	0.791	S	S	*	*			trans	-129.6	76.4	168.6	-52.1	-178.8	0	0	0	108.6
687	D	27.3	Very low	30.7	Very low	152 Å²	152	152.7 Å²	152.7	81%	0.813	78%	0.783	S	S	*	*			trans	-144.5	151.7	169	-130.5	-30.2	0	0	0	107
688	Q	28.6	Very low	30.4	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	79%	0.794	S	S	*	*			trans	76.7	79.5	-168.2	-49.4	178.4	11.9	0	0	117
689	S	31.7	Very low	30	Very low	113 Å²	113	147.7 Å²	147.7	79%	0.79	79%	0.793	S	S	*	*			trans	-156.8	137.7	133.9	-18.3	0	0	0	0	112.4
690	I	32	Very low	29.9	Very low	161 Å²	161	145.5 Å²	145.5	83%	0.826	78%	0.784	S	S	*	*			trans	66.1	88.3	160.2	-52.4	163.5	0	0	0	115.5
691	E	26.8	Very low	29.6	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	80%	0.796	S	S	*	*			trans	-70.2	160.1	147.7	-57.7	177	130.5	0	0	110.4
692	N	28.6	Very low	29.6	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	78%	0.784	S	S	*	*			trans	65.2	109.9	169.1	-44.1	-61.6	0	0	0	114.5
693	E	32.8	Very low	29.5	Very low	192 Å²	192	140.9 Å²	140.9	90%	0.897	77%	0.767	S	S	*	*				-151.9	168.5	71.6	-91	-177	159.3	0	0	113.8
694	N	27.4	Very low	29.6	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	77%	0.765	S	S	*	*			trans	-83.4	153.8	171.2	-69	-76.6	0	0	0	111.2
695	I	32	Very low	29.8	Very low	158 Å²	158	137.7 Å²	137.7	81%	0.81	76%	0.756	S	S	*	*				167	124	122.4	-84.5	155.4	0	0	0	111.6
696	N	29.5	Very low	29.8	Very low	100 Å²	100	139.5 Å²	139.5	54%	0.535	75%	0.745	S	S	.	*			trans	24.9	130	153.1	-64.5	9.2	0	0	0	123.3	H474	H474-N696 PolarHBondContact NE2-ND2 3.25Å
697	N	27.2	Very low	30	Very low	103 Å²	103	134.7 Å²	134.7	55%	0.551	73%	0.727	S	S	*	*			trans	64.6	117.9	131.6	-60.4	-5.2	0	0	0	121
698	G	26	Very low	30.2	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	72%	0.717	S	S	*	*			trans	132.8	110.4	141.7	0	0	0	0	0	116.3
699	S	26.8	Very low	30.6	Very low	121 Å²	121	127.1 Å²	127.1	85%	0.846	70%	0.695	S	S	*	*			trans	46.8	98.7	153.7	-170.9	0	0	0	0	119.1
700	L	30	Very low	31	Very low	137 Å²	137	127 Å²	127	72%	0.717	68%	0.684	S	S	*	*			trans	-154.5	26.8	151.8	-114.2	163.8	0	0	0	115.4	S702	L700-S702 PolarHBondContact O-N 2.97Å
701	N	27.5	Very low	31.4	Very low	181 Å²	181	123.6 Å²	123.6	97%	0.968	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	59.1	178.7	-95.1	-31.7	0	0	0	113.6
702	S	32	Very low	32.3	Very low	65 Å²	65	118.3 Å²	118.3	46%	0.455	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-147.9	-7.3	176	73.9	0	0	0	0	116.4	L700 R706	L700-S702 PolarHBondContact O-N 2.97Å; S702-R706 PolarHBondContact O-NE 3.31Å; S702-R706 PolarHBondContact O-NH2 3.48Å
703	T	31.4	Very low	33.4	Very low	80 Å²	80	116.2 Å²	116.2	49%	0.491	63%	0.634	S	S	.	*	S	Bend	trans	-103	-54.3	-170.3	-46.1	0	0	0	0	113.5	K705 R706	T703-K705 VanDerWaalsContact C-N 3.3Å; T703-K705 PolarHBondContact O-N 3.01Å; T703-R706 PolarHBondContact O-N 3.2Å
704	M	31.7	Very low	34.7	Very low	172 Å²	172	111.9 Å²	111.9	85%	0.847	61%	0.612	S	S	*	*	H	α-helix	trans	-61.9	-34.2	-176.4	-70	-178.5	75.6	0	0	113.8	R706 S707 C708	M704-R706 VanDerWaalsContact C-N 3.3Å; M704-R706 PolarHBondContact O-N 2.84Å; M704-S707 WeakPolarHBondContact O-CB 3.38Å; M704-S707 PolarHBondContact O-N 2.79Å; M704-C708 PolarHBondContact O-N 3.21Å
705	K	34	Very low	36.2	Very low	149 Å²	149	109.7 Å²	109.7	65%	0.648	60%	0.6	S	S	*	*	H	α-helix	trans	-61	-39.3	-178.1	-163.8	177.5	179.1	-173.8	0	112.4	T703 S707 C708 E709	T703-K705 VanDerWaalsContact C-N 3.3Å; T703-K705 PolarHBondContact O-N 3.01Å; K705-S707 VanDerWaalsContact C-N 3.27Å; K705-S707 PolarHBondContact O-N 3.38Å; K705-C708 PolarHBondContact O-N 3.42Å; K705-E709 VanDerWaalsContact CE-OE1 3.23Å; K705-E709 WeakPolarHBondContact CE-OE1 3.4Å; K705-E709 WeakPolarHBondContact O-CB 3.44Å; K705-E709 WeakPolarHBondContact O-CG 3.49Å; K705-E709 PolarHBondContact O-N 3.27Å
706	R	33.2	Very low	37.7	Very low	152 Å²	152	106.3 Å²	106.3	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-65.5	-25.8	175.7	-79.1	-178.6	-81	176.2	-3.9	113.4	S702 T703 M704 M710	S702-R706 PolarHBondContact O-NE 3.31Å; S702-R706 PolarHBondContact O-NH2 3.48Å; T703-R706 PolarHBondContact O-N 3.2Å; M704-R706 VanDerWaalsContact C-N 3.3Å; M704-R706 PolarHBondContact O-N 2.84Å; R706-M710 VanDerWaalsContact O-CB 3.28Å; R706-M710 WeakPolarHBondContact O-CB 3.33Å; R706-M710 VanDerWaalsContact O-CG 3.24Å; R706-M710 WeakPolarHBondContact O-CG 3.34Å; R706-M710 PolarHBondContact O-N 3.22Å
707	S	33.6	Very low	39.4	Very low	75 Å²	75	105.1 Å²	105.1	52%	0.524	58%	0.576	S	S	.	*	H	α-helix	trans	-73.3	-44	176.8	-179.5	0	0	0	0	111.9	M704 K705 M710 E711	M704-S707 WeakPolarHBondContact O-CB 3.38Å; M704-S707 PolarHBondContact O-N 2.79Å; K705-S707 VanDerWaalsContact C-N 3.27Å; K705-S707 PolarHBondContact O-N 3.38Å; S707-M710 WeakPolarHBondContact O-CB 3.48Å; S707-M710 PolarHBondContact O-N 2.79Å; S707-E711 PolarHBondContact O-N 3.17Å
708	C	31.6	Very low	41.2	Very low	89 Å²	89	106.4 Å²	106.4	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-69.1	-34.8	175	-169.5	0	0	0	0	112.3	M704 K705 E711 S712	M704-C708 PolarHBondContact O-N 3.21Å; K705-C708 PolarHBondContact O-N 3.42Å; C708-E711 PolarHBondContact O-N 3.13Å; C708-S712 WeakPolarHBondContact O-CB 3.5Å; C708-S712 PolarHBondContact O-N 2.93Å; C708-S712 PolarHBondContact O-OG 3.31Å
709	E	36	Very low	43	Very low	89 Å²	89	108.3 Å²	108.3	42%	0.416	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-39.2	172.1	-71.9	165.7	171.5	0	0	111.7	K705 S712 L713	K705-E709 VanDerWaalsContact CE-OE1 3.23Å; K705-E709 WeakPolarHBondContact CE-OE1 3.4Å; K705-E709 WeakPolarHBondContact O-CB 3.44Å; K705-E709 WeakPolarHBondContact O-CG 3.49Å; K705-E709 PolarHBondContact O-N 3.27Å; E709-S712 WeakPolarHBondContact O-CB 3.44Å; E709-S712 PolarHBondContact O-N 3.01Å; E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.33Å; E709-L713 PolarHBondContact O-N 2.86Å
710	M	39.9	Very low	45.1	Very low	111 Å²	111	108.3 Å²	108.3	55%	0.547	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-45.1	171.3	-86	-79.5	-75.3	0	0	112.9	R706 S707 S712 L713 K714	R706-M710 VanDerWaalsContact O-CB 3.28Å; R706-M710 WeakPolarHBondContact O-CB 3.33Å; R706-M710 VanDerWaalsContact O-CG 3.24Å; R706-M710 WeakPolarHBondContact O-CG 3.34Å; R706-M710 PolarHBondContact O-N 3.22Å; S707-M710 WeakPolarHBondContact O-CB 3.48Å; S707-M710 PolarHBondContact O-N 2.79Å; M710-S712 VanDerWaalsContact C-N 3.33Å; M710-S712 PolarHBondContact O-N 3.05Å; M710-L713 PolarHBondContact O-N 2.82Å; M710-K714 WeakPolarHBondContact O-CG 3.27Å; M710-K714 PolarHBondContact O-N 3.02Å
711	E	42.4	Very low	46.9	Very low	90 Å²	90	109.6 Å²	109.6	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-37.4	178.4	-132.8	59.5	-144.8	0	0	111.7	S707 C708 L713 K714 I715	S707-E711 PolarHBondContact O-N 3.17Å; C708-E711 PolarHBondContact O-N 3.13Å; E711-L713 VanDerWaalsContact C-N 3.35Å; E711-L713 PolarHBondContact O-N 2.62Å; E711-K714 PolarHBondContact O-N 3.47Å; E711-K714 WeakPolarHBondContact OE1-CD 3.25Å; E711-K714 IonicContact OE1-NZ 2.7Å; E711-K714 PolarHBondContact OE1-NZ 3.16Å; E711-K714 IonicContact OE2-NZ 3.6Å; E711-K714 PolarHBondContact OE2-NZ 3.14Å; E711-I715 WeakPolarHBondContact O-CG1 3.41Å; E711-I715 PolarHBondContact O-N 3.36Å; E711-I715 VanDerWaalsContact O-N 3.08Å
712	S	44.1	Very low	48.9	Very low	58 Å²	58	104.7 Å²	104.7	41%	0.406	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-41.7	172	-58	0	0	0	0	112	C708 E709 M710 I715 I716	C708-S712 WeakPolarHBondContact O-CB 3.5Å; C708-S712 PolarHBondContact O-N 2.93Å; C708-S712 PolarHBondContact O-OG 3.31Å; E709-S712 WeakPolarHBondContact O-CB 3.44Å; E709-S712 PolarHBondContact O-N 3.01Å; M710-S712 VanDerWaalsContact C-N 3.33Å; M710-S712 PolarHBondContact O-N 3.05Å; S712-I715 PolarHBondContact O-N 2.77Å; S712-I716 WeakPolarHBondContact O-CD1 3.47Å; S712-I716 VanDerWaalsContact O-CG1 3.29Å; S712-I716 WeakPolarHBondContact O-CG1 3.41Å; S712-I716 PolarHBondContact O-N 2.99Å
713	L	51.5	Low	50.3	Low	91 Å²	91	105.3 Å²	105.3	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.7	-75.3	164.3	0	0	0	112.1	E709 M710 E711 I715 I716 D717	E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.33Å; E709-L713 PolarHBondContact O-N 2.86Å; M710-L713 PolarHBondContact O-N 2.82Å; E711-L713 VanDerWaalsContact C-N 3.35Å; E711-L713 PolarHBondContact O-N 2.62Å; L713-I715 VanDerWaalsContact C-N 3.31Å; L713-I715 PolarHBondContact O-N 3.2Å; L713-I716 WeakPolarHBondContact O-CB 3.33Å; L713-I716 PolarHBondContact O-N 3.1Å; L713-I716 VanDerWaalsContact O-N 3.15Å; L713-D717 WeakPolarHBondContact O-CB 3.44Å; L713-D717 PolarHBondContact O-N 3.49Å
714	K	61	Low	52.1	Low	102 Å²	102	106.7 Å²	106.7	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-55.2	-44.4	173.2	-72.9	169.5	-179.8	167.1	0	112.2	M710 E711 D717 Q718	M710-K714 WeakPolarHBondContact O-CG 3.27Å; M710-K714 PolarHBondContact O-N 3.02Å; E711-K714 PolarHBondContact O-N 3.47Å; E711-K714 WeakPolarHBondContact OE1-CD 3.25Å; E711-K714 IonicContact OE1-NZ 2.7Å; E711-K714 PolarHBondContact OE1-NZ 3.16Å; E711-K714 IonicContact OE2-NZ 3.6Å; E711-K714 PolarHBondContact OE2-NZ 3.14Å; K714-D717 PolarHBondContact O-N 2.86Å; K714-Q718 WeakPolarHBondContact O-CB 3.45Å; K714-Q718 PolarHBondContact O-N 3.39Å
715	I	59.3	Low	53.7	Low	106 Å²	106	101 Å²	101	54%	0.544	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-40.9	178.5	-68.3	166.9	0	0	0	110.8	E711 S712 L713 D717 M719	E711-I715 WeakPolarHBondContact O-CG1 3.41Å; E711-I715 PolarHBondContact O-N 3.36Å; E711-I715 VanDerWaalsContact O-N 3.08Å; S712-I715 PolarHBondContact O-N 2.77Å; L713-I715 VanDerWaalsContact C-N 3.31Å; L713-I715 PolarHBondContact O-N 3.2Å; I715-D717 VanDerWaalsContact C-N 3.34Å; I715-M719 VanDerWaalsContact O-CB 3.29Å; I715-M719 WeakPolarHBondContact O-CB 3.45Å; I715-M719 PolarHBondContact O-N 3.39Å
716	I	62.3	Low	55.1	Low	87 Å²	87	100.4 Å²	100.4	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-41.9	174.2	-73.9	165.8	0	0	0	111	S712 L713 M719 K720	S712-I716 WeakPolarHBondContact O-CD1 3.47Å; S712-I716 VanDerWaalsContact O-CG1 3.29Å; S712-I716 WeakPolarHBondContact O-CG1 3.41Å; S712-I716 PolarHBondContact O-N 2.99Å; L713-I716 WeakPolarHBondContact O-CB 3.33Å; L713-I716 PolarHBondContact O-N 3.1Å; L713-I716 VanDerWaalsContact O-N 3.15Å; I716-M719 PolarHBondContact O-N 3.34Å; I716-K720 WeakPolarHBondContact O-CG 3.47Å; I716-K720 PolarHBondContact O-N 2.92Å
717	D	65.3	Low	56.4	Low	75 Å²	75	98.1 Å²	98.1	40%	0.401	48%	0.483	S	S	.	.	H	α-helix	trans	-77.8	-33.4	-177.8	-69.8	-22.6	0	0	0	112.9	L713 K714 I715 M719 K720 W721	L713-D717 WeakPolarHBondContact O-CB 3.44Å; L713-D717 PolarHBondContact O-N 3.49Å; K714-D717 PolarHBondContact O-N 2.86Å; I715-D717 VanDerWaalsContact C-N 3.34Å; D717-M719 VanDerWaalsContact C-N 3.34Å; D717-K720 PolarHBondContact O-N 2.98Å; D717-K720 WeakPolarHBondContact OD1-CD 3.1Å; D717-K720 VanDerWaalsContact OD1-CE 3.32Å; D717-K720 WeakPolarHBondContact OD1-CE 3.26Å; D717-K720 IonicContact OD1-NZ 2.66Å; D717-K720 PolarHBondContact OD1-NZ 3.36Å; D717-W721 WeakPolarHBondContact O-CB 3.49Å; D717-W721 PolarHBondContact O-N 3.43Å
718	Q	66.6	Low	57.8	Low	130 Å²	130	100.1 Å²	100.1	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-59.7	-44.7	163.6	-82.8	-170.4	-17.8	0	0	111.2	K714 K720 W721 I722	K714-Q718 WeakPolarHBondContact O-CB 3.45Å; K714-Q718 PolarHBondContact O-N 3.39Å; Q718-K720 VanDerWaalsContact C-N 3.32Å; Q718-K720 PolarHBondContact O-N 3.25Å; Q718-W721 PolarHBondContact O-N 2.86Å; Q718-I722 WeakPolarHBondContact O-CB 3.42Å; Q718-I722 VanDerWaalsContact O-CG1 3.28Å; Q718-I722 WeakPolarHBondContact O-CG1 3.49Å; Q718-I722 PolarHBondContact O-N 3.4Å
719	M	63.5	Low	58.8	Low	115 Å²	115	104.9 Å²	104.9	57%	0.567	49%	0.489	S	S	*	.	H	α-helix	trans	-65.4	-35.2	178	-170.7	67.4	90.6	0	0	111.6	I715 I716 D717 N723	I715-M719 VanDerWaalsContact O-CB 3.29Å; I715-M719 WeakPolarHBondContact O-CB 3.45Å; I715-M719 PolarHBondContact O-N 3.39Å; I716-M719 PolarHBondContact O-N 3.34Å; D717-M719 VanDerWaalsContact C-N 3.34Å; M719-N723 WeakPolarHBondContact O-CB 3.32Å; M719-N723 PolarHBondContact O-N 3.12Å; M719-N723 PolarHBondContact O-ND2 2.84Å
720	K	69.3	Low	59.5	Low	120 Å²	120	105.8 Å²	105.8	52%	0.522	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-51.2	168.7	-71.1	172.7	-164.7	159.9	0	111	I716 D717 Q718 I722 N723 Q724	I716-K720 WeakPolarHBondContact O-CG 3.47Å; I716-K720 PolarHBondContact O-N 2.92Å; D717-K720 PolarHBondContact O-N 2.98Å; D717-K720 WeakPolarHBondContact OD1-CD 3.1Å; D717-K720 VanDerWaalsContact OD1-CE 3.32Å; D717-K720 WeakPolarHBondContact OD1-CE 3.26Å; D717-K720 IonicContact OD1-NZ 2.66Å; D717-K720 PolarHBondContact OD1-NZ 3.36Å; Q718-K720 VanDerWaalsContact C-N 3.32Å; Q718-K720 PolarHBondContact O-N 3.25Å; K720-I722 PolarHBondContact O-N 2.86Å; K720-N723 CarbonylContact O-C 3.6Å; K720-N723 PolarHBondContact O-N 2.95Å; K720-N723 VanDerWaalsContact O-N 3.14Å; K720-Q724 WeakPolarHBondContact O-CB 3.22Å; K720-Q724 PolarHBondContact O-N 3.24Å
721	W	69.8	Low	60.1	Low	164 Å²	164	106 Å²	106	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-42.8	-178.3	-174.5	88	0	0	0	112.5	D717 Q718 N723 Q724 N725	D717-W721 WeakPolarHBondContact O-CB 3.49Å; D717-W721 PolarHBondContact O-N 3.43Å; Q718-W721 PolarHBondContact O-N 2.86Å; W721-N723 PolarHBondContact O-N 2.87Å; W721-Q724 PolarHBondContact O-N 3.42Å; W721-N725 VanDerWaalsContact CD2-ND2 3.35Å; W721-N725 VanDerWaalsContact CH2-ND2 3.25Å; W721-N725 WeakPolarHBondContact CH2-ND2 3.33Å; W721-N725 WeakPolarHBondContact CZ2-ND2 3.49Å; W721-N725 WeakPolarHBondContact CZ3-ND2 3.4Å; W721-N725 WeakPolarHBondContact O-CB 3.27Å; W721-N725 PolarHBondContact O-N 2.87Å
722	I	68.5	Low	60.5	Low	79 Å²	79	107.4 Å²	107.4	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-43.5	174.6	-68.7	166.9	0	0	0	111.1	Q718 K720 K726	Q718-I722 WeakPolarHBondContact O-CB 3.42Å; Q718-I722 VanDerWaalsContact O-CG1 3.28Å; Q718-I722 WeakPolarHBondContact O-CG1 3.49Å; Q718-I722 PolarHBondContact O-N 3.4Å; K720-I722 PolarHBondContact O-N 2.86Å; I722-K726 WeakPolarHBondContact O-CB 3.21Å; I722-K726 WeakPolarHBondContact O-CG 3.31Å; I722-K726 PolarHBondContact O-N 3.42Å
723	N	61.7	Low	60.7	Low	78 Å²	78	109.8 Å²	109.8	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-71.1	-32.1	177.3	-77.3	-60.9	0	0	0	112.7	M719 K720 W721 R727	M719-N723 WeakPolarHBondContact O-CB 3.32Å; M719-N723 PolarHBondContact O-N 3.12Å; M719-N723 PolarHBondContact O-ND2 2.84Å; K720-N723 CarbonylContact O-C 3.6Å; K720-N723 PolarHBondContact O-N 2.95Å; K720-N723 VanDerWaalsContact O-N 3.14Å; W721-N723 PolarHBondContact O-N 2.87Å; N723-R727 WeakPolarHBondContact O-CG 3.4Å; N723-R727 PolarHBondContact O-N 2.95Å
724	Q	68.4	Low	60.5	Low	109 Å²	109	111.4 Å²	111.4	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-71.8	-40.1	175.5	-174	169.8	-6.7	0	0	111.5	K720 W721 R727 Q728	K720-Q724 WeakPolarHBondContact O-CB 3.22Å; K720-Q724 PolarHBondContact O-N 3.24Å; W721-Q724 PolarHBondContact O-N 3.42Å; Q724-R727 CarbonylContact O-C 3.58Å; Q724-R727 WeakPolarHBondContact O-CB 3.06Å; Q724-R727 PolarHBondContact O-N 2.88Å; Q724-Q728 PolarHBondContact O-N 3.12Å
725	N	66.2	Low	59.8	Low	53 Å²	53	113.1 Å²	113.1	28%	0.283	53%	0.526	S	S	.	.	H	α-helix	trans	-70	-35.1	173	-76.1	-12.4	0	0	0	112.5	W721 R727 Q728 R729	W721-N725 VanDerWaalsContact CD2-ND2 3.35Å; W721-N725 VanDerWaalsContact CH2-ND2 3.25Å; W721-N725 WeakPolarHBondContact CH2-ND2 3.33Å; W721-N725 WeakPolarHBondContact CZ2-ND2 3.49Å; W721-N725 WeakPolarHBondContact CZ3-ND2 3.4Å; W721-N725 WeakPolarHBondContact O-CB 3.27Å; W721-N725 PolarHBondContact O-N 2.87Å; N725-R727 VanDerWaalsContact C-N 3.29Å; N725-R727 PolarHBondContact O-N 3.38Å; N725-Q728 PolarHBondContact O-N 3.34Å; N725-R729 WeakPolarHBondContact O-CB 3.43Å; N725-R729 PolarHBondContact O-N 2.75Å
726	K	63	Low	59	Low	135 Å²	135	113.5 Å²	113.5	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-37.4	168.7	-83.8	-173.9	172.6	-176.4	0	111.9	I722 L730	I722-K726 WeakPolarHBondContact O-CB 3.21Å; I722-K726 WeakPolarHBondContact O-CG 3.31Å; I722-K726 PolarHBondContact O-N 3.42Å; K726-L730 WeakPolarHBondContact O-CG 3.38Å; K726-L730 PolarHBondContact O-N 2.89Å; K726-L730 VanDerWaalsContact O-N 3.09Å
727	R	60.3	Low	57.8	Low	105 Å²	105	112.7 Å²	112.7	40%	0.396	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-52.1	172.6	-77.2	173.6	177.3	-75.2	-17.8	111.7	N723 Q724 N725 R729 L730 E731 L1068	N723-R727 WeakPolarHBondContact O-CG 3.4Å; N723-R727 PolarHBondContact O-N 2.95Å; Q724-R727 CarbonylContact O-C 3.58Å; Q724-R727 WeakPolarHBondContact O-CB 3.06Å; Q724-R727 PolarHBondContact O-N 2.88Å; N725-R727 VanDerWaalsContact C-N 3.29Å; N725-R727 PolarHBondContact O-N 3.38Å; R727-R729 PolarHBondContact O-N 3.15Å; R727-L730 CarbonylContact O-C 3.59Å; R727-L730 PolarHBondContact O-N 2.96Å; R727-E731 WeakPolarHBondContact O-CB 3.49Å; R727-E731 PolarHBondContact O-N 3.45Å; R727-L1068 VanDerWaalsContact CZ-CB 3.48Å; R727-L1068 VanDerWaalsContact NH2-CB 3.34Å
728	Q	62.3	Low	56.1	Low	116 Å²	116	113.8 Å²	113.8	54%	0.542	56%	0.556	S	S	.	*	H	α-helix	trans	-60.9	-30	178.7	-72.9	-177.1	-6	0	0	113.4	Q724 N725 K732	Q724-Q728 PolarHBondContact O-N 3.12Å; N725-Q728 PolarHBondContact O-N 3.34Å; Q728-K732 WeakPolarHBondContact O-CB 3.4Å; Q728-K732 PolarHBondContact O-N 2.92Å; Q728-K732 VanDerWaalsContact O-N 3.08Å
729	R	53.9	Low	54.4	Low	189 Å²	189	114.8 Å²	114.8	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-63.7	-57.9	166.1	-99.5	-178.4	158.1	164.6	-6.1	111.6	N725 R727 E731 K732 D733	N725-R729 WeakPolarHBondContact O-CB 3.43Å; N725-R729 PolarHBondContact O-N 2.75Å; R727-R729 PolarHBondContact O-N 3.15Å; R729-E731 VanDerWaalsContact C-N 3.32Å; R729-E731 PolarHBondContact O-N 3.1Å; R729-K732 CarbonylContact O-C 3.28Å; R729-K732 WeakPolarHBondContact O-CA 3.46Å; R729-K732 PolarHBondContact O-N 2.92Å; R729-D733 WeakPolarHBondContact O-CB 3.28Å; R729-D733 PolarHBondContact O-N 2.87Å; R729-D733 VanDerWaalsContact O-OD2 3.14Å
730	L	49.7	Very low	52.8	Low	109 Å²	109	115.8 Å²	115.8	57%	0.571	57%	0.572	S	S	*	*	H	α-helix	trans	-59.7	-38.4	-179.2	-71.1	167.5	0	0	0	113.6	K726 R727 I734	K726-L730 WeakPolarHBondContact O-CG 3.38Å; K726-L730 PolarHBondContact O-N 2.89Å; K726-L730 VanDerWaalsContact O-N 3.09Å; R727-L730 CarbonylContact O-C 3.59Å; R727-L730 PolarHBondContact O-N 2.96Å; L730-I734 WeakPolarHBondContact O-CB 3.31Å; L730-I734 WeakPolarHBondContact O-CD1 3.33Å; L730-I734 WeakPolarHBondContact O-CG1 3.42Å; L730-I734 PolarHBondContact O-N 3.46Å; L730-I734 VanDerWaalsContact O-N 3.08Å
731	E	52.9	Low	51	Low	114 Å²	114	116.9 Å²	116.9	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-61.9	-45.2	173.6	-140	84.1	-144.2	0	0	110	R727 R729 I734 Q735	R727-E731 WeakPolarHBondContact O-CB 3.49Å; R727-E731 PolarHBondContact O-N 3.45Å; R729-E731 VanDerWaalsContact C-N 3.32Å; R729-E731 PolarHBondContact O-N 3.1Å; E731-I734 CarbonylContact O-C 3.57Å; E731-I734 PolarHBondContact O-N 2.97Å; E731-Q735 WeakPolarHBondContact O-CB 3.47Å; E731-Q735 PolarHBondContact O-N 3.16Å
732	K	51.9	Low	49.3	Very low	120 Å²	120	118.1 Å²	118.1	52%	0.522	60%	0.597	S	S	.	*	H	α-helix	trans	-71.2	-37.2	179	-173.7	161.2	-176.9	167.6	0	112.9	Q728 R729 I734 Q735 D736	Q728-K732 WeakPolarHBondContact O-CB 3.4Å; Q728-K732 PolarHBondContact O-N 2.92Å; Q728-K732 VanDerWaalsContact O-N 3.08Å; R729-K732 CarbonylContact O-C 3.28Å; R729-K732 WeakPolarHBondContact O-CA 3.46Å; R729-K732 PolarHBondContact O-N 2.92Å; K732-I734 PolarHBondContact O-N 3.27Å; K732-Q735 PolarHBondContact O-N 3.44Å; K732-D736 WeakPolarHBondContact CE-OD2 3.36Å; K732-D736 WeakPolarHBondContact CG-OD2 3.43Å; K732-D736 IonicContact NZ-OD2 3.91Å; K732-D736 VanDerWaalsContact O-CB 3.31Å; K732-D736 WeakPolarHBondContact O-CB 3.25Å; K732-D736 PolarHBondContact O-N 3.49Å
733	D	47.2	Very low	47.4	Very low	109 Å²	109	123.8 Å²	123.8	58%	0.583	61%	0.613	S	S	*	*	H	α-helix	trans	-65.1	-20.4	172.8	-58.4	-30.5	0	0	0	111.5	R729	R729-D733 WeakPolarHBondContact O-CB 3.28Å; R729-D733 PolarHBondContact O-N 2.87Å; R729-D733 VanDerWaalsContact O-OD2 3.14Å
734	I	48.2	Very low	46	Very low	125 Å²	125	126 Å²	126	64%	0.641	63%	0.632	S	S	*	*	H	α-helix	trans	-91.2	-34.1	172.6	-71	166.6	0	0	0	111.8	L730 E731 K732	L730-I734 WeakPolarHBondContact O-CB 3.31Å; L730-I734 WeakPolarHBondContact O-CD1 3.33Å; L730-I734 WeakPolarHBondContact O-CG1 3.42Å; L730-I734 PolarHBondContact O-N 3.46Å; L730-I734 VanDerWaalsContact O-N 3.08Å; E731-I734 CarbonylContact O-C 3.57Å; E731-I734 PolarHBondContact O-N 2.97Å; K732-I734 PolarHBondContact O-N 3.27Å
735	Q	46.2	Very low	44	Very low	138 Å²	138	125.1 Å²	125.1	65%	0.645	63%	0.634	S	S	*	*	H	α-helix	trans	-80.3	-39.9	-179.1	-135.2	74.8	32	0	0	113.4	E731 K732 G737	E731-Q735 WeakPolarHBondContact O-CB 3.47Å; E731-Q735 PolarHBondContact O-N 3.16Å; K732-Q735 PolarHBondContact O-N 3.44Å; Q735-G737 PolarHBondContact O-N 3.31Å
736	D	41.2	Very low	42.4	Very low	114 Å²	114	127.8 Å²	127.8	61%	0.61	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-4.8	-179.2	-69.3	1.4	0	0	0	112.2	K732 S738	K732-D736 WeakPolarHBondContact CE-OD2 3.36Å; K732-D736 WeakPolarHBondContact CG-OD2 3.43Å; K732-D736 IonicContact NZ-OD2 3.91Å; K732-D736 VanDerWaalsContact O-CB 3.31Å; K732-D736 WeakPolarHBondContact O-CB 3.25Å; K732-D736 PolarHBondContact O-N 3.49Å; D736-S738 VanDerWaalsContact C-N 3.32Å; D736-S738 PolarHBondContact O-N 3.03Å
737	G	37.8	Very low	40.7	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	12.4	178.5	0	0	0	0	0	115.6	Q735	Q735-G737 PolarHBondContact O-N 3.31Å
738	S	30.5	Very low	39.4	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	69%	0.687	S	S	*	*	S	Bend	trans	-144.2	58.8	-170.2	179.4	0	0	0	0	114.1	D736	D736-S738 VanDerWaalsContact C-N 3.32Å; D736-S738 PolarHBondContact O-N 3.03Å
739	L	30.4	Very low	37.7	Very low	151 Å²	151	129.5 Å²	129.5	79%	0.791	70%	0.695	S	S	*	*			trans	-160	145.8	162	-108.3	161.1	0	0	0	110.3
740	N	29.5	Very low	36.7	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	70%	0.702	S	S	*	*			trans	71.2	146.5	178.5	-44.5	-20.8	0	0	0	113.8
741	D	31.8	Very low	35.7	Very low	143 Å²	143	131.7 Å²	131.7	77%	0.765	71%	0.714	S	S	*	*			cis	-135.6	154.4	11.6	-96.7	-49.9	0	0	0	115.3
742	E	33.5	Very low	34.9	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	73%	0.727	S	S	*	*			trans	26.4	150.7	155.8	-53.7	-147.3	123.6	0	0	125.7
743	R	28.2	Very low	33.9	Very low	197 Å²	197	132.2 Å²	132.2	74%	0.743	73%	0.733	S	S	*	*			trans	-127.8	127.4	-176.4	167.7	-154.9	-176.5	-159.5	4	110.8	T745	R743-T745 PolarHBondContact NE-OG1 3.38Å
744	P	32.9	Very low	33.3	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	74%	0.743	S	S	*	*			trans	-86.6	143.9	158.9	32.6	-29.7	0	0	0	111.4
745	T	27.4	Very low	32.5	Very low	90 Å²	90	135.2 Å²	135.2	55%	0.552	75%	0.749	S	S	*	*			trans	-130.8	109.6	-179.1	-41.2	0	0	0	0	111.9	R743	R743-T745 PolarHBondContact NE-OG1 3.38Å
746	S	32	Very low	31.7	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	75%	0.752	S	S	*	*			trans	171	151.9	170	39.4	0	0	0	0	109.6
747	I	27.4	Very low	31.2	Very low	154 Å²	154	138.8 Å²	138.8	79%	0.79	76%	0.759	S	S	*	*			cis	-160.9	163.7	-25.3	-146.6	161.6	0	0	0	108.5
748	V	31.6	Very low	30.7	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	76%	0.759	S	S	*	*			trans	72.2	139.9	168.8	162.4	0	0	0	0	118
749	S	27.8	Very low	30.6	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	76%	0.762	S	S	*	*			trans	-84.9	166	-179.3	-32.1	0	0	0	0	113.4
750	I	32.7	Very low	30.5	Very low	171 Å²	171	148.3 Å²	148.3	88%	0.877	76%	0.764	S	S	*	*				-151.2	150.3	121.7	-100.9	152.3	0	0	0	107.6
751	E	28.5	Very low	30.4	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	77%	0.767	S	S	*	*			trans	-87.8	141.6	-177.2	-63.8	150.8	128.5	0	0	110.5
752	D	36	Very low	30.3	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	77%	0.767	S	S	*	*			trans	-163.4	109.8	135.1	-109.2	-31.4	0	0	0	112.8
753	S	30.7	Very low	30.1	Very low	94 Å²	94	150 Å²	150	66%	0.657	76%	0.763	S	S	*	*			trans	11.6	116.8	135.4	-31.5	0	0	0	0	117.9
754	D	34.3	Very low	30.4	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	77%	0.765	S	S	*	*				-174.6	149.3	76.8	-110.7	-25.4	0	0	0	116
755	I	32.4	Very low	30.8	Very low	148 Å²	148	147 Å²	147	76%	0.759	75%	0.754	S	S	*	*			trans	49.2	90.1	161.5	-48.7	177.8	0	0	0	118.4
756	I	29.3	Very low	31	Very low	138 Å²	138	148 Å²	148	71%	0.708	76%	0.76	S	S	*	*			trans	-93.4	142.5	145.6	-67.6	168.7	0	0	0	108
757	Y	29.6	Very low	31.3	Very low	190 Å²	190	150.2 Å²	150.2	75%	0.745	76%	0.76	S	S	*	*			trans	-141.9	102	146.4	-110.8	-68.7	0	0	0	114.3	Y759	Y757-Y759 AromaticContact CD1-CD2 3.67Å; Y757-Y759 HydrophobicContact CD1-CD2 3.67Å; Y757-Y759 AromaticContact CD1-CE2 3.73Å; Y757-Y759 HydrophobicContact CD1-CE2 3.73Å; Y757-Y759 AromaticContact CE1-CD2 3.88Å; Y757-Y759 HydrophobicContact CE1-CD2 3.88Å; Y757-Y759 AromaticContact CE1-CE2 3.41Å; Y757-Y759 HydrophobicContact CE1-CE2 3.41Å; Y757-Y759 VanDerWaalsContact CE1-CE2 3.41Å
758	N	28.2	Very low	31.6	Very low	134 Å²	134	148 Å²	148	72%	0.717	75%	0.754	S	S	*	*			trans	-74.9	143.1	154.8	-84.3	-90.2	0	0	0	108.8
759	Y	28.9	Very low	31.9	Very low	192 Å²	192	147 Å²	147	75%	0.753	75%	0.748	S	S	*	*			trans	-129.2	95.6	155.1	-114.6	-70.3	0	0	0	114.1	Y757 R761	Y757-Y759 AromaticContact CD1-CD2 3.67Å; Y757-Y759 HydrophobicContact CD1-CD2 3.67Å; Y757-Y759 AromaticContact CD1-CE2 3.73Å; Y757-Y759 HydrophobicContact CD1-CE2 3.73Å; Y757-Y759 AromaticContact CE1-CD2 3.88Å; Y757-Y759 HydrophobicContact CE1-CD2 3.88Å; Y757-Y759 AromaticContact CE1-CE2 3.41Å; Y757-Y759 HydrophobicContact CE1-CE2 3.41Å; Y757-Y759 VanDerWaalsContact CE1-CE2 3.41Å; Y759-R761 WeakPolarHBondContact CE1-O 3.47Å
760	K	27.3	Very low	32.1	Very low	192 Å²	192	148.1 Å²	148.1	84%	0.835	75%	0.751	S	S	*	*			trans	-136.9	83.2	161.7	-173.2	-179.9	-174.3	176.7	0	108.3
761	R	28.9	Very low	32.2	Very low	208 Å²	208	145.8 Å²	145.8	79%	0.785	75%	0.745	S	S	*	*			trans	165.5	118.3	161.1	-94	154.9	-171.7	155.7	0.7	112.3	Y759	Y759-R761 WeakPolarHBondContact CE1-O 3.47Å
762	N	28	Very low	32.2	Very low	143 Å²	143	143 Å²	143	77%	0.765	74%	0.74	S	S	*	*				41.9	134.6	124.6	-58.9	7.1	0	0	0	123.3
763	L	31	Very low	32	Very low	154 Å²	154	140.9 Å²	140.9	81%	0.806	73%	0.732	S	S	*	*			trans	89.8	161.1	131.8	-81.1	166.7	0	0	0	122.8
764	H	32.8	Very low	32	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	74%	0.739	S	S	*	*			trans	88.2	155.9	154.9	-95.5	-147.1	0	0	0	120.1
765	P	41.5	Very low	32	Very low	90 Å²	90	140.4 Å²	140.4	58%	0.584	73%	0.733	S	S	*	*			cis	-147.2	170.1	-17.9	36.2	-16.2	0	0	0	119.4
766	T	31.4	Very low	31.7	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	73%	0.731	S	S	*	*			trans	71.9	156.8	145.3	39	0	0	0	0	120.4
767	M	38.3	Very low	31.6	Very low	155 Å²	155	136.6 Å²	136.6	76%	0.764	73%	0.728	S	S	*	*			cis	-131.4	168.5	34.1	-79.5	-96	83.7	0	0	117.9
768	T	33.8	Very low	31.5	Very low	109 Å²	109	134.6 Å²	134.6	67%	0.669	73%	0.725	S	S	*	*			trans	-52	169.1	175	44.4	0	0	0	0	116.3
769	T	37.9	Very low	31.5	Very low	114 Å²	114	134.5 Å²	134.5	70%	0.699	73%	0.725	S	S	*	*			cis	-159.6	145.7	49.3	50.2	0	0	0	0	116.4
770	T	31.9	Very low	31.6	Very low	125 Å²	125	130.3 Å²	130.3	77%	0.767	72%	0.719	S	S	*	*			trans	39.9	144.1	140.5	66.3	0	0	0	0	121.4
771	T	34.6	Very low	31.7	Very low	122 Å²	122	128.7 Å²	128.7	75%	0.748	72%	0.72	S	S	*	*			cis	-150.8	160.2	37.4	24.9	0	0	0	0	114.7
772	T	29	Very low	32	Very low	114 Å²	114	122.1 Å²	122.1	70%	0.699	72%	0.717	S	S	*	*			trans	-15.8	157.9	147.6	45.9	0	0	0	0	119.2
773	T	33.1	Very low	32.4	Very low	106 Å²	106	124.3 Å²	124.3	65%	0.65	72%	0.722	S	S	*	*			cis	-165.1	130.8	25.3	-3.2	0	0	0	0	114.4
774	T	28.9	Very low	32.6	Very low	130 Å²	130	122 Å²	122	80%	0.798	71%	0.714	S	S	*	*			trans	62.1	-173.7	138.9	67.2	0	0	0	0	118
775	P	35.8	Very low	32.7	Very low	103 Å²	103	122 Å²	122	67%	0.669	71%	0.714	S	S	*	*				-134	-164.2	-117	35.7	-10.4	0	0	0	114
776	S	25.2	Very low	32	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	72%	0.719	S	S	*	*			trans	63	163.3	156.3	54.5	0	0	0	0	116
777	T	26.9	Very low	31.7	Very low	104 Å²	104	126.4 Å²	126.4	64%	0.638	73%	0.727	S	S	*	*			cis	-150.9	178.8	-14	5.1	0	0	0	0	107.5
778	E	27.7	Very low	31.1	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.692	72%	0.722	S	S	*	*			trans	63.5	121.4	141.2	-74.7	157.9	159.2	0	0	120.3
779	N	28.6	Very low	30.7	Very low	132 Å²	132	126.7 Å²	126.7	71%	0.706	73%	0.731	S	S	*	*				76.7	146	120.7	-60.5	-1	0	0	0	119.1
780	T	31.3	Very low	30.2	Very low	104 Å²	104	125.3 Å²	125.3	64%	0.638	73%	0.731	S	S	*	*			cis	-157.1	149.1	-1.9	9.8	0	0	0	0	109.8
781	D	29.6	Very low	29.9	Very low	158 Å²	158	126 Å²	126	85%	0.845	73%	0.73	S	S	*	*			trans	52.9	139.4	142.9	-51.2	-20	0	0	0	121.8
782	G	35.5	Very low	29.5	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	73%	0.729	S	S	*	*			trans	178.3	25	179.9	0	0	0	0	0	118.9
783	E	35.3	Very low	29.4	Very low	189 Å²	189	125.8 Å²	125.8	88%	0.883	73%	0.727	S	S	*	*			trans	65.7	150.4	161.7	-61.6	-168.7	117.2	0	0	117.8
784	V	36.4	Very low	29.3	Very low	106 Å²	106	126.9 Å²	126.9	64%	0.642	73%	0.729	S	S	*	*			cis	-156.1	141.5	-4.2	120.4	0	0	0	0	108.9
785	H	33.7	Very low	29.3	Very low	168 Å²	168	127.9 Å²	127.9	78%	0.778	73%	0.73	S	S	*	*			trans	39.1	133.5	160.3	-69.9	-103.3	0	0	0	121.7
786	S	27.1	Very low	29.3	Very low	98 Å²	98	128 Å²	128	69%	0.685	73%	0.733	S	S	*	*			cis	76.1	111.7	9	-147.5	0	0	0	0	119.7
787	F	24.3	Very low	29.8	Very low	196 Å²	196	130.1 Å²	130.1	86%	0.86	73%	0.731	S	S	*	*			trans	86.8	155	139.8	-138.4	-126.5	0	0	0	121.7
788	V	27	Very low	30.2	Very low	107 Å²	107	132.9 Å²	132.9	65%	0.648	74%	0.737	S	S	*	*			trans	86.2	107.3	163.7	-169.1	0	0	0	0	120.6
789	L	25.6	Very low	30.8	Very low	164 Å²	164	130.5 Å²	130.5	86%	0.859	74%	0.736	S	S	*	*			trans	36.7	148.7	134.5	-54.2	174	0	0	0	124.3
790	A	26.4	Very low	31.2	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	74%	0.74	S	S	*	*			trans	90.3	135.3	143.2	0	0	0	0	0	120.8
791	D	25.8	Very low	31.8	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	74%	0.74	S	S	*	*			trans	61.4	122	138.7	-67.1	8.6	0	0	0	123.3
792	N	26.1	Very low	32	Very low	136 Å²	136	126.9 Å²	126.9	73%	0.727	73%	0.733	S	S	*	*			trans	68.9	102.8	134.1	-64.8	-38.9	0	0	0	121.4
793	S	27.7	Very low	32.1	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	73%	0.733	S	S	*	*				105.9	136.5	108.5	79.5	0	0	0	0	121.8
794	N	29.4	Very low	32.1	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	72%	0.724	S	S	*	*			trans	72.6	117.3	140.4	-63.1	-16.5	0	0	0	123
795	N	30.9	Very low	32	Very low	151 Å²	151	126 Å²	126	81%	0.807	72%	0.724	S	S	*	*				65.3	147.4	126.5	-57.4	-15.9	0	0	0	119.5
796	S	34.9	Very low	32	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	73%	0.725	S	S	*	*			cis	-151.6	-175.8	-3	59.5	0	0	0	0	108.1
797	H	36.1	Very low	32.5	Very low	147 Å²	147	126.9 Å²	126.9	68%	0.681	73%	0.73	S	S	*	*			cis	-149	-166.2	0.5	-144.6	-150.9	0	0	0	106.9
798	E	35.3	Very low	32.9	Very low	162 Å²	162	123.1 Å²	123.1	76%	0.757	73%	0.728	S	S	*	*			cis	-147.1	152.8	6.2	-169.9	144.9	-104.8	0	0	108.4
799	S	39.8	Very low	33.4	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	73%	0.732	S	S	*	*			trans	-99.4	-157.2	-171.9	-40.5	0	0	0	0	111.8
800	P	37.5	Very low	33.5	Very low	119 Å²	119	120.5 Å²	120.5	77%	0.773	73%	0.726	S	S	*	*			cis	-142.5	-169.4	30.3	47	-24.2	0	0	0	114.8
801	P	43.6	Very low	33.7	Very low	101 Å²	101	124.5 Å²	124.5	66%	0.656	73%	0.734	S	S	*	*				-144.5	-174.3	-77.5	44.8	-26.9	0	0	0	116.4
802	S	33.5	Very low	33.8	Very low	98 Å²	98	122.4 Å²	122.4	69%	0.685	73%	0.73	S	S	*	*			trans	80.3	143.3	142.5	-67.3	0	0	0	0	121
803	I	37.9	Very low	33.8	Very low	141 Å²	141	124.3 Å²	124.3	72%	0.723	73%	0.734	S	S	*	*			cis	-158.3	141.8	-2.8	-117.9	163.9	0	0	0	112.4
804	T	34.3	Very low	34.1	Very low	114 Å²	114	125.6 Å²	125.6	70%	0.699	74%	0.739	S	S	*	*			trans	29.3	125.8	157.8	63.4	0	0	0	0	121.8
805	S	34.4	Very low	34.1	Very low	91 Å²	91	125.3 Å²	125.3	64%	0.636	74%	0.743	S	S	*	*				83.2	155.4	61.4	90.3	0	0	0	0	114.3
806	E	33.8	Very low	34	Very low	171 Å²	171	125.8 Å²	125.8	80%	0.799	75%	0.745	S	S	*	*			cis	-161.1	-177.6	9.4	-147.5	153.2	-101.2	0	0	113.5
807	S	37.8	Very low	33.7	Very low	114 Å²	114	126 Å²	126	80%	0.797	75%	0.747	S	S	*	*			trans	85.1	138.8	161.2	77.2	0	0	0	0	121
808	S	34.2	Very low	33.7	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	76%	0.755	S	S	*	*			trans	-134	178.4	175.9	-72.5	0	0	0	0	105.8
809	P	35.6	Very low	33.4	Very low	112 Å²	112	129 Å²	129	73%	0.727	76%	0.762	S	S	*	*			cis	-151.3	-169.2	27.1	45	-23.2	0	0	0	117.7
810	S	28.4	Very low	33	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	77%	0.769	S	S	*	*			trans	62	113.5	150.8	-59.3	0	0	0	0	120.2
811	I	31.3	Very low	32.7	Very low	169 Å²	169	131.8 Å²	131.8	87%	0.867	77%	0.769	S	S	*	*				-178.9	164.8	122.6	-92.7	156.1	0	0	0	109.8
812	S	27.4	Very low	32	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	78%	0.781	S	S	*	*			trans	-51.1	141.6	-169.3	52.5	0	0	0	0	119.4
813	E	26.7	Very low	32	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	79%	0.787	S	S	*	*			trans	73.2	140.6	142.5	-68.2	179.7	-173.7	0	0	121.9
814	T	32.5	Very low	31.7	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	79%	0.79	S	S	*	*			trans	71	123.8	176.1	72.8	0	0	0	0	118.9
815	P	30.9	Very low	31.5	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	80%	0.795	S	S	*	*			trans	-127.9	130.2	136.9	34.9	-25.1	0	0	0	110.2
816	L	28.6	Very low	31.5	Very low	162 Å²	162	144.3 Å²	144.3	85%	0.848	81%	0.807	S	S	*	*				68.2	125.1	56.1	-69.7	166.7	0	0	0	114.4
817	S	29	Very low	31.3	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.6	149.5	-171.7	-47.4	0	0	0	0	113.4	R819	S817-R819 PolarHBondContact O-N 2.93Å
818	P	35.4	Very low	31.4	Very low	132 Å²	132	143.1 Å²	143.1	86%	0.857	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-62.8	128.2	166.4	-18.2	31.5	0	0	0	111
819	R	29.3	Very low	31.5	Very low	239 Å²	239	143 Å²	143	90%	0.902	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.1	145	171.2	-84.8	177.9	162.9	176.2	-6.6	111	S817	S817-R819 PolarHBondContact O-N 2.93Å
820	L	30.6	Very low	31.7	Very low	158 Å²	158	144.2 Å²	144.2	83%	0.827	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.5	160.7	-75	159.3	0	0	0	110.3
821	P	32.6	Very low	32.2	Very low	119 Å²	119	141.3 Å²	141.3	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.2	156	-13.5	29.2	0	0	0	109.6
822	M	28.5	Very low	32.6	Very low	186 Å²	186	138.2 Å²	138.2	92%	0.916	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-79.9	129.4	177.3	-67.7	175.2	64.1	0	0	111.3
823	I	33.4	Very low	33	Very low	157 Å²	157	139.2 Å²	139.2	81%	0.805	76%	0.763	S	S	*	*			trans	-131.2	138.7	154.3	-62.4	-176.5	0	0	0	106.1
824	P	31.3	Very low	33.5	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	74%	0.744	S	S	*	*			trans	-74.9	164	-155.7	-20.4	35.1	0	0	0	116.4
825	E	30.9	Very low	33.7	Very low	174 Å²	174	130.8 Å²	130.8	81%	0.813	74%	0.735	S	S	*	*			trans	-60.7	144.2	168.6	-64.6	155.9	132.6	0	0	111.4
826	L	33.2	Very low	33.9	Very low	170 Å²	170	131.1 Å²	131.1	89%	0.89	73%	0.73	S	S	*	*			trans	-146.7	83.9	162.2	-154.7	74.6	0	0	0	110.4	N828	L826-N828 PolarHBondContact O-N 2.87Å
827	D	30.7	Very low	34.5	Very low	160 Å²	160	129.2 Å²	129.2	86%	0.856	72%	0.719	S	S	*	*			trans	-69.3	91	177.3	-81.8	-47.1	0	0	0	111.9
828	N	38.7	Very low	34.7	Very low	101 Å²	101	131.9 Å²	131.9	54%	0.54	72%	0.719	S	S	.	*			trans	-153.8	113.1	156.1	-161.8	-21.9	0	0	0	113.3	L826 Q830 G831	L826-N828 PolarHBondContact O-N 2.87Å; N828-Q830 PolarHBondContact O-N 3.44Å; N828-Q830 WeakPolarHBondContact OD1-CB 3.41Å; N828-Q830 PolarHBondContact OD1-N 2.85Å; N828-G831 PolarHBondContact O-N 3.45Å
829	P	37.1	Very low	34.6	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-14.6	177.1	27.6	-34.8	0	0	0	114.5
830	Q	39.6	Very low	34.6	Very low	137 Å²	137	123.9 Å²	123.9	64%	0.64	70%	0.696	S	S	*	*	H	α-helix	trans	-73.8	-29.2	178.8	-112.9	67.1	-11	0	0	113.4	N828 V832 L833 A834	N828-Q830 PolarHBondContact O-N 3.44Å; N828-Q830 WeakPolarHBondContact OD1-CB 3.41Å; N828-Q830 PolarHBondContact OD1-N 2.85Å; Q830-V832 PolarHBondContact O-N 3.05Å; Q830-L833 PolarHBondContact O-N 2.98Å; Q830-A834 PolarHBondContact O-N 3.45Å
831	G	38.4	Very low	34.6	Very low	44 Å²	44	125.4 Å²	125.4	45%	0.454	70%	0.699	S	S	.	*	H	α-helix	trans	-66.2	-37.8	-171.9	0	0	0	0	0	114.2	N828 L833 A834 A835	N828-G831 PolarHBondContact O-N 3.45Å; G831-L833 VanDerWaalsContact C-N 3.28Å; G831-L833 PolarHBondContact O-N 3.29Å; G831-A834 PolarHBondContact O-N 2.88Å; G831-A835 PolarHBondContact O-N 2.56Å
832	V	39.3	Very low	34.5	Very low	103 Å²	103	128.3 Å²	128.3	62%	0.624	70%	0.702	S	S	*	*	H	α-helix	trans	-69.4	-27.6	-179.1	-177.4	0	0	0	0	111.8	Q830 L836	Q830-V832 PolarHBondContact O-N 3.05Å; V832-L836 HydrophobicContact CG1-CD1 4.41Å; V832-L836 PolarHBondContact O-N 2.75Å
833	L	37.3	Very low	34.7	Very low	117 Å²	117	127.3 Å²	127.3	61%	0.613	70%	0.7	S	S	*	*	H	α-helix	trans	-75.6	-37.9	177.1	-148.3	73.8	0	0	0	111.6	Q830 G831 L836 I837	Q830-L833 PolarHBondContact O-N 2.98Å; G831-L833 VanDerWaalsContact C-N 3.28Å; G831-L833 PolarHBondContact O-N 3.29Å; L833-L836 PolarHBondContact O-N 3.31Å; L833-I837 HydrophobicContact CG-CD1 4.39Å; L833-I837 WeakPolarHBondContact O-CD1 3.21Å; L833-I837 WeakPolarHBondContact O-CG1 3.43Å; L833-I837 PolarHBondContact O-N 3.49Å
834	A	36.3	Very low	34.3	Very low	53 Å²	53	127.1 Å²	127.1	44%	0.438	70%	0.695	S	S	.	*	H	α-helix	trans	-63.8	-42.5	174.2	0	0	0	0	0	112.2	Q830 G831 L836 I837 H838	Q830-A834 PolarHBondContact O-N 3.45Å; G831-A834 PolarHBondContact O-N 2.88Å; A834-L836 PolarHBondContact O-N 3.33Å; A834-I837 PolarHBondContact O-N 2.96Å; A834-I837 VanDerWaalsContact O-N 3.15Å; A834-H838 PolarHBondContact O-N 3.29Å
835	A	35.7	Very low	34.3	Very low	69 Å²	69	128.5 Å²	128.5	57%	0.57	70%	0.695	S	S	*	*	H	α-helix	trans	-62.9	-27	177.5	0	0	0	0	0	113.8	G831	G831-A835 PolarHBondContact O-N 2.56Å
836	L	35.9	Very low	34.2	Very low	130 Å²	130	127.8 Å²	127.8	68%	0.681	69%	0.692	S	S	*	*	H	α-helix	trans	-91.8	-7.8	177	-79.6	165	0	0	0	114.3	V832 L833 A834	V832-L836 HydrophobicContact CG1-CD1 4.41Å; V832-L836 PolarHBondContact O-N 2.75Å; L833-L836 PolarHBondContact O-N 3.31Å; A834-L836 PolarHBondContact O-N 3.33Å
837	I	40.7	Very low	34.2	Very low	121 Å²	121	127.3 Å²	127.3	62%	0.621	69%	0.685	S	S	*	*	H	α-helix	trans	-93.8	-24.4	174.6	-71.6	168.2	0	0	0	111.3	L833 A834 L839	L833-I837 HydrophobicContact CG-CD1 4.39Å; L833-I837 WeakPolarHBondContact O-CD1 3.21Å; L833-I837 WeakPolarHBondContact O-CG1 3.43Å; L833-I837 PolarHBondContact O-N 3.49Å; A834-I837 PolarHBondContact O-N 2.96Å; A834-I837 VanDerWaalsContact O-N 3.15Å; I837-L839 VanDerWaalsContact C-N 3.29Å; I837-L839 PolarHBondContact O-N 2.87Å
838	H	34.8	Very low	34.2	Very low	166 Å²	166	127.3 Å²	127.3	77%	0.769	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	9.3	-178.5	-98.9	-72.3	0	0	0	116.7	A834	A834-H838 PolarHBondContact O-N 3.29Å
839	L	33.2	Very low	33.7	Very low	161 Å²	161	127.7 Å²	127.7	84%	0.843	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	9.8	172.9	-87.2	165.3	0	0	0	114.1	I837	I837-L839 VanDerWaalsContact C-N 3.29Å; I837-L839 PolarHBondContact O-N 2.87Å
840	G	28.9	Very low	33.3	Very low	42 Å²	42	131.5 Å²	131.5	43%	0.433	70%	0.695	S	S	.	*	S	Bend	trans	-113.3	123	168.7	0	0	0	0	0	111.9
841	H	30	Very low	32.7	Very low	190 Å²	190	129.2 Å²	129.2	88%	0.88	69%	0.694	S	S	*	*			trans	64.5	96.4	174.7	-43.1	94.7	0	0	0	116.9
842	H	30.9	Very low	32.4	Very low	179 Å²	179	135.2 Å²	135.2	83%	0.829	71%	0.71	S	S	*	*			trans	-168.3	116.2	130.6	-119.1	-87.8	0	0	0	111.8
843	N	31.9	Very low	31.8	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	71%	0.714	S	S	*	*			trans	-166.1	85	154.1	-114.7	-26.6	0	0	0	110.6
844	H	26.2	Very low	31.5	Very low	153 Å²	153	137 Å²	137	71%	0.708	72%	0.72	S	S	*	*			trans	-146.8	100.4	172.2	177	-78.6	0	0	0	109.3
845	I	31.3	Very low	31.2	Very low	150 Å²	150	141.7 Å²	141.7	77%	0.769	73%	0.733	S	S	*	*			trans	-131.5	72.9	177.1	-53.3	-176.8	0	0	0	110.1
846	Q	27.9	Very low	30.9	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.743	75%	0.746	S	S	*	*				16.9	119	129.4	-172.4	175.6	29.5	0	0	118.7
847	Q	32.9	Very low	30.4	Very low	160 Å²	160	148.9 Å²	148.9	75%	0.748	75%	0.752	S	S	*	*			trans	-167.4	136.9	142	-109.8	157.3	99.7	0	0	115.7
848	Q	32.6	Very low	29.8	Very low	160 Å²	160	148.6 Å²	148.6	75%	0.748	76%	0.756	S	S	*	*			trans	63.6	84.1	145.4	-66.8	172	22.7	0	0	123.3
849	S	26.7	Very low	29.6	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	76%	0.756	S	S	*	*				32.9	114.1	116.2	61.8	0	0	0	0	123.2
850	K	30	Very low	29.2	Very low	195 Å²	195	147 Å²	147	85%	0.848	75%	0.754	S	S	*	*				-174.4	114.5	129.8	-100.1	-165.8	168.2	-172.4	0	107.4
851	S	26.1	Very low	29	Very low	88 Å²	88	157.3 Å²	157.3	62%	0.615	78%	0.779	S	S	*	*				77.9	138.7	71.1	75.7	0	0	0	0	114.2
852	E	31.2	Very low	28.8	Very low	171 Å²	171	152 Å²	152	80%	0.799	78%	0.776	S	S	*	*			trans	86.3	104.3	-173	-62.5	158.4	-144.8	0	0	112.9
853	S	27.9	Very low	28.5	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	78%	0.777	S	S	*	*				69.3	128	72	69.9	0	0	0	0	112.7
854	E	30.9	Very low	28.4	Very low	155 Å²	155	150.6 Å²	150.6	72%	0.724	77%	0.772	S	S	*	*			cis	-166.6	163.5	28.8	-142.6	-178.9	-129.9	0	0	114.1
855	Q	29.3	Very low	28.4	Very low	152 Å²	152	153.5 Å²	153.5	71%	0.71	78%	0.779	S	S	*	*			trans	72.3	145.2	158.6	-54	-176.7	29.7	0	0	122.6
856	K	30.4	Very low	28.5	Very low	194 Å²	194	154.1 Å²	154.1	84%	0.843	78%	0.782	S	S	*	*			trans	59.4	101	171	-64.4	-179.9	-178.2	176.4	0	116.6
857	L	25.3	Very low	28.6	Very low	156 Å²	156	151.4 Å²	151.4	82%	0.817	78%	0.781	S	S	*	*			cis	79.2	81.2	19.1	-139.8	-178.4	0	0	0	115.6
858	T	28.1	Very low	28.3	Very low	114 Å²	114	148.7 Å²	148.7	70%	0.699	78%	0.78	S	S	*	*				170.4	144.8	125.5	31.3	0	0	0	0	113.4
859	N	29.2	Very low	28.3	Very low	144 Å²	144	147 Å²	147	77%	0.77	78%	0.78	S	S	*	*			trans	62.9	135.2	158.9	-53.2	-10.9	0	0	0	118
860	L	25.6	Very low	28.4	Very low	151 Å²	151	146.9 Å²	146.9	79%	0.791	78%	0.78	S	S	*	*			cis	68.9	109.7	29.5	-71.5	167.8	0	0	0	116.4
861	W	24.5	Very low	28.4	Very low	257 Å²	257	142.7 Å²	142.7	97%	0.973	78%	0.775	S	S	*	*			trans	53.5	114	162.6	-74.9	61.5	0	0	0	118
862	G	25.5	Very low	28.4	Very low	78 Å²	78	143.9 Å²	143.9	80%	0.804	78%	0.783	S	S	*	*			trans	-173.3	138.6	169.2	0	0	0	0	0	114.7
863	F	24.9	Very low	28.4	Very low	193 Å²	193	140.8 Å²	140.8	85%	0.846	78%	0.781	S	S	*	*			trans	-83.3	158.5	169.4	-82.6	-103.2	0	0	0	111.5
864	P	30.8	Very low	28.4	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	79%	0.785	S	S	*	*			trans	-87.2	115.5	157.4	33.3	-27.9	0	0	0	111.3
865	Y	26	Very low	28.4	Very low	215 Å²	215	143 Å²	143	84%	0.843	79%	0.792	S	S	*	*			trans	-146.3	136.4	162.2	-103.2	-73.8	0	0	0	109.2
866	L	32.4	Very low	28.3	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	80%	0.803	S	S	*	*			trans	-139.8	112.7	167.9	-82.1	154	0	0	0	105
867	S	29.5	Very low	28.2	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	80%	0.795	S	S	*	*				74.2	131.3	77.7	-64	0	0	0	0	112.3
868	S	27.3	Very low	28.4	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	80%	0.799	S	S	*	*			cis	-171.1	159.4	-3.7	41	0	0	0	0	107.2
869	T	31.6	Very low	28.4	Very low	123 Å²	123	145 Å²	145	76%	0.755	80%	0.801	S	S	*	*				-173.5	160.1	71.9	41.5	0	0	0	0	113.6
870	S	29.2	Very low	28.3	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	81%	0.805	S	S	*	*			trans	-2.7	152.6	155.3	50.1	0	0	0	0	121.7
871	S	31.4	Very low	28.4	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	81%	0.805	S	S	*	*			cis	-173.7	133.6	10.4	37.5	0	0	0	0	110.9
872	S	25.9	Very low	28.8	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	80%	0.801	S	S	*	*				100.8	154.6	85.5	-164.8	0	0	0	0	115.4
873	S	31.3	Very low	28.9	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	80%	0.802	S	S	*	*			trans	60.8	122.2	-173.2	59.8	0	0	0	0	116
874	T	27.5	Very low	29.3	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	80%	0.799	S	S	*	*			cis	92.4	107.9	30.4	-57.9	0	0	0	0	114.7
875	I	30.6	Very low	29.2	Very low	171 Å²	171	143.5 Å²	143.5	88%	0.877	80%	0.803	S	S	*	*				-168.6	165.6	129.3	-98.2	159.9	0	0	0	109.3
876	R	27	Very low	29.7	Very low	246 Å²	246	136.1 Å²	136.1	93%	0.928	78%	0.781	S	S	*	*			trans	-112.7	156.7	-164.2	-62.4	176.1	172.4	-175.2	-3.2	115.1
877	G	29.1	Very low	29.8	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	76%	0.761	S	S	*	*			trans	129.4	136.1	153.7	0	0	0	0	0	113.2
878	F	29.7	Very low	30.2	Very low	207 Å²	207	132.3 Å²	132.3	91%	0.908	76%	0.759	S	S	*	*			cis	-140.2	176.2	1.6	-105.1	-94.9	0	0	0	111.3
879	L	27.3	Very low	30.8	Very low	141 Å²	141	132.9 Å²	132.9	74%	0.738	75%	0.754	S	S	*	*			trans	-85.7	139.8	-167.2	-59	70.5	0	0	0	113.9
880	N	26.9	Very low	31.3	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	74%	0.742	S	S	*	*				169.4	134.9	107.8	-88.1	-24.9	0	0	0	112.3
881	G	28.5	Very low	31.7	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	73%	0.729	S	S	*	*			trans	128.3	76.4	172	0	0	0	0	0	114.1
882	T	32.7	Very low	31.9	Very low	145 Å²	145	133 Å²	133	89%	0.89	72%	0.723	S	S	*	*			trans	-93.6	117.7	178.9	47.3	0	0	0	0	112.5
883	E	27.9	Very low	32.4	Very low	178 Å²	178	131.7 Å²	131.7	83%	0.832	71%	0.712	S	S	*	*			trans	-71	164.9	164.9	-54.4	-180	125.1	0	0	112
884	V	33.6	Very low	32.6	Very low	130 Å²	130	130.6 Å²	130.6	79%	0.788	70%	0.695	S	S	*	*			trans	-135.3	113.8	162.2	-179.2	0	0	0	0	110
885	Y	27.6	Very low	33.2	Very low	223 Å²	223	128.3 Å²	128.3	88%	0.875	68%	0.678	S	S	*	*			trans	-60.3	139.6	176.5	-133.7	-104.7	0	0	0	112
886	T	35.8	Very low	33.9	Very low	60 Å²	60	123.3 Å²	123.3	37%	0.368	66%	0.655	S	S	.	*			trans	-137.9	121.6	167	60.7	0	0	0	0	114.3	K890	T886-K890 HydrophobicContact CG2-CD 3.89Å
887	D	35.5	Very low	34.7	Very low	83 Å²	83	114.3 Å²	114.3	44%	0.444	63%	0.634	S	S	.	*			trans	-20.1	130.7	165.9	169.7	17.6	0	0	0	116.8	N889 K890 L891	D887-N889 PolarHBondContact O-N 3.24Å; D887-N889 WeakPolarHBondContact OD1-CB 3.27Å; D887-N889 PolarHBondContact OD1-N 2.66Å; D887-N889 PolarHBondContact OD1-ND2 2.91Å; D887-K890 HydrophobicContact CB-CB 4.27Å; D887-K890 VanDerWaalsContact O-CA 3.32Å; D887-K890 WeakPolarHBondContact O-CA 3.5Å; D887-K890 WeakPolarHBondContact O-CB 3.42Å; D887-K890 PolarHBondContact O-N 2.67Å; D887-L891 PolarHBondContact O-N 3.43Å; D887-L891 VanDerWaalsContact O-N 3.12Å
888	P	38	Very low	35.2	Very low	101 Å²	101	115.6 Å²	115.6	66%	0.656	63%	0.625	S	S	*	*	H	α-helix	trans	-60.3	-24	177.3	25.5	-35.6	0	0	0	114.9	K890 L891 H892	P888-K890 VanDerWaalsContact C-N 3.29Å; P888-L891 VanDerWaalsContact O-CB 3.29Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.43Å; P888-L891 VanDerWaalsContact O-N 3.15Å; P888-H892 PolarHBondContact O-N 3.28Å; P888-H892 VanDerWaalsContact O-N 3.12Å
889	N	39.2	Very low	35.5	Very low	116 Å²	116	112.1 Å²	112.1	62%	0.62	61%	0.613	S	S	*	*	H	α-helix	trans	-68.6	-33.3	171.3	-59.2	-79.3	0	0	0	111.4	D887 L891 H892 C893	D887-N889 PolarHBondContact O-N 3.24Å; D887-N889 WeakPolarHBondContact OD1-CB 3.27Å; D887-N889 PolarHBondContact OD1-N 2.66Å; D887-N889 PolarHBondContact OD1-ND2 2.91Å; N889-L891 VanDerWaalsContact C-N 3.33Å; N889-H892 PolarHBondContact O-N 3.25Å; N889-C893 PolarHBondContact O-N 3.38Å; N889-C893 PolarHBondContact O-SG 3.15Å; N889-C893 VanDerWaalsContact O-SG 3.39Å
890	K	41.7	Very low	36.3	Very low	117 Å²	117	110.2 Å²	110.2	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-66.7	-35.5	169.2	-144.2	-178.6	-165.2	175.6	0	110.9	T886 D887 P888 C893 Q894	T886-K890 HydrophobicContact CG2-CD 3.89Å; D887-K890 HydrophobicContact CB-CB 4.27Å; D887-K890 VanDerWaalsContact O-CA 3.32Å; D887-K890 WeakPolarHBondContact O-CA 3.5Å; D887-K890 WeakPolarHBondContact O-CB 3.42Å; D887-K890 PolarHBondContact O-N 2.67Å; P888-K890 VanDerWaalsContact C-N 3.29Å; K890-C893 CarbonylContact O-C 3.45Å; K890-C893 PolarHBondContact O-N 2.89Å; K890-Q894 WeakPolarHBondContact O-CB 3.46Å; K890-Q894 VanDerWaalsContact O-CG 3.24Å; K890-Q894 WeakPolarHBondContact O-CG 3.42Å; K890-Q894 PolarHBondContact O-N 3.44Å
891	L	37.9	Very low	36.8	Very low	93 Å²	93	104 Å²	104	49%	0.487	58%	0.575	S	S	.	*	H	α-helix	trans	-62.7	-40.4	174.9	-159.5	90.1	0	0	0	112.5	D887 P888 N889 Q894 L895	D887-L891 PolarHBondContact O-N 3.43Å; D887-L891 VanDerWaalsContact O-N 3.12Å; P888-L891 VanDerWaalsContact O-CB 3.29Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.43Å; P888-L891 VanDerWaalsContact O-N 3.15Å; N889-L891 VanDerWaalsContact C-N 3.33Å; L891-Q894 PolarHBondContact O-N 3.32Å; L891-L895 HydrophobicContact CD2-CD1 4.28Å; L891-L895 HydrophobicContact CG-CD1 4.39Å; L891-L895 WeakPolarHBondContact O-CB 3.17Å; L891-L895 WeakPolarHBondContact O-CG 3.35Å; L891-L895 PolarHBondContact O-N 3.19Å
892	H	35.9	Very low	37.2	Very low	130 Å²	130	105 Å²	105	60%	0.602	57%	0.57	S	S	*	*	H	α-helix	trans	-65.3	-39.7	175.3	-166.4	72.6	0	0	0	112.1	P888 N889 T896	P888-H892 PolarHBondContact O-N 3.28Å; P888-H892 VanDerWaalsContact O-N 3.12Å; N889-H892 PolarHBondContact O-N 3.25Å; H892-T896 WeakPolarHBondContact O-CB 3.49Å; H892-T896 PolarHBondContact O-N 2.88Å; H892-T896 PolarHBondContact O-OG1 3.25Å
893	C	36	Very low	37.3	Very low	84 Å²	84	105.1 Å²	105.1	57%	0.568	56%	0.564	S	S	*	*	H	α-helix	trans	-67.1	-37.9	173.2	-63.9	0	0	0	0	112	N889 K890 T896 A897	N889-C893 PolarHBondContact O-N 3.38Å; N889-C893 PolarHBondContact O-SG 3.15Å; N889-C893 VanDerWaalsContact O-SG 3.39Å; K890-C893 CarbonylContact O-C 3.45Å; K890-C893 PolarHBondContact O-N 2.89Å; C893-T896 PolarHBondContact O-N 3.18Å; C893-A897 VanDerWaalsContact O-CB 3.25Å; C893-A897 WeakPolarHBondContact O-CB 3.22Å; C893-A897 PolarHBondContact O-N 3.01Å
894	Q	37	Very low	37.6	Very low	84 Å²	84	101 Å²	101	39%	0.393	55%	0.554	S	S	.	*	H	α-helix	trans	-68.5	-41.3	175.9	-77.4	167	-14.4	0	0	112.1	K890 L891 A897 L898	K890-Q894 WeakPolarHBondContact O-CB 3.46Å; K890-Q894 VanDerWaalsContact O-CG 3.24Å; K890-Q894 WeakPolarHBondContact O-CG 3.42Å; K890-Q894 PolarHBondContact O-N 3.44Å; L891-Q894 PolarHBondContact O-N 3.32Å; Q894-A897 CarbonylContact O-C 3.22Å; Q894-A897 PolarHBondContact O-N 2.66Å; Q894-L898 VanDerWaalsContact O-CB 3.24Å; Q894-L898 WeakPolarHBondContact O-CB 3.44Å; Q894-L898 PolarHBondContact O-N 2.94Å
895	L	40.1	Very low	37.6	Very low	83 Å²	83	103 Å²	103	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-39.8	173.8	-79.9	165.3	0	0	0	111.6	L891 L898 M899	L891-L895 HydrophobicContact CD2-CD1 4.28Å; L891-L895 HydrophobicContact CG-CD1 4.39Å; L891-L895 WeakPolarHBondContact O-CB 3.17Å; L891-L895 WeakPolarHBondContact O-CG 3.35Å; L891-L895 PolarHBondContact O-N 3.19Å; L895-L898 PolarHBondContact O-N 2.87Å; L895-M899 WeakPolarHBondContact O-CG 3.37Å; L895-M899 PolarHBondContact O-N 2.98Å
896	T	45.1	Very low	37.9	Very low	67 Å²	67	99 Å²	99	41%	0.411	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-43.5	173	-55.7	0	0	0	0	111.2	H892 C893 L898 M899 N900	H892-T896 WeakPolarHBondContact O-CB 3.49Å; H892-T896 PolarHBondContact O-N 2.88Å; H892-T896 PolarHBondContact O-OG1 3.25Å; C893-T896 PolarHBondContact O-N 3.18Å; T896-L898 VanDerWaalsContact C-N 3.31Å; T896-L898 PolarHBondContact O-N 3.05Å; T896-M899 PolarHBondContact O-N 3.21Å; T896-N900 WeakPolarHBondContact O-CB 3.28Å; T896-N900 VanDerWaalsContact O-CG 3.24Å; T896-N900 PolarHBondContact O-N 3.09Å; T896-N900 PolarHBondContact O-ND2 3.11Å
897	A	43.1	Very low	37.9	Very low	57 Å²	57	103.4 Å²	103.4	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-66.1	-31	174	0	0	0	0	0	112.6	C893 Q894 A901	C893-A897 VanDerWaalsContact O-CB 3.25Å; C893-A897 WeakPolarHBondContact O-CB 3.22Å; C893-A897 PolarHBondContact O-N 3.01Å; Q894-A897 CarbonylContact O-C 3.22Å; Q894-A897 PolarHBondContact O-N 2.66Å; A897-A901 WeakPolarHBondContact O-CB 3.46Å; A897-A901 PolarHBondContact O-N 3.16Å
898	L	39.1	Very low	37.9	Very low	92 Å²	92	105.6 Å²	105.6	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-71.9	-45.1	176.8	-166.3	75.4	0	0	0	110.8	Q894 L895 T896 N900 A901 S902	Q894-L898 VanDerWaalsContact O-CB 3.24Å; Q894-L898 WeakPolarHBondContact O-CB 3.44Å; Q894-L898 PolarHBondContact O-N 2.94Å; L895-L898 PolarHBondContact O-N 2.87Å; T896-L898 VanDerWaalsContact C-N 3.31Å; T896-L898 PolarHBondContact O-N 3.05Å; L898-N900 VanDerWaalsContact C-N 3.3Å; L898-N900 PolarHBondContact O-N 3.34Å; L898-A901 PolarHBondContact O-N 3.27Å; L898-A901 VanDerWaalsContact O-N 3.16Å; L898-S902 PolarHBondContact O-N 3.47Å; L898-S902 PolarHBondContact O-OG 2.87Å
899	M	37.3	Very low	37.4	Very low	134 Å²	134	107.3 Å²	107.3	66%	0.66	58%	0.583	S	S	*	*	H	α-helix	trans	-59.2	-41.9	172.3	-70.4	-175.3	-175.6	0	0	111.5	L895 T896 S902	L895-M899 WeakPolarHBondContact O-CG 3.37Å; L895-M899 PolarHBondContact O-N 2.98Å; T896-M899 PolarHBondContact O-N 3.21Å; M899-S902 PolarHBondContact O-N 3.34Å
900	N	42.7	Very low	37	Very low	101 Å²	101	109.2 Å²	109.2	54%	0.54	59%	0.592	S	S	.	*	H	α-helix	trans	-69.2	-34.2	174.9	-67.7	-17.8	0	0	0	112.7	T896 L898 L903	T896-N900 WeakPolarHBondContact O-CB 3.28Å; T896-N900 VanDerWaalsContact O-CG 3.24Å; T896-N900 PolarHBondContact O-N 3.09Å; T896-N900 PolarHBondContact O-ND2 3.11Å; L898-N900 VanDerWaalsContact C-N 3.3Å; L898-N900 PolarHBondContact O-N 3.34Å; N900-L903 WeakPolarHBondContact O-CB 3.34Å; N900-L903 PolarHBondContact O-N 3.37Å
901	A	39.1	Very low	36.4	Very low	31 Å²	31	110.1 Å²	110.1	26%	0.256	60%	0.598	S	S	.	*	H	α-helix	trans	-73.7	-29.4	176.4	0	0	0	0	0	112.8	A897 L898 L903 S904	A897-A901 WeakPolarHBondContact O-CB 3.46Å; A897-A901 PolarHBondContact O-N 3.16Å; L898-A901 PolarHBondContact O-N 3.27Å; L898-A901 VanDerWaalsContact O-N 3.16Å; A901-L903 PolarHBondContact O-N 3.48Å; A901-S904 CarbonylContact O-C 3.59Å; A901-S904 PolarHBondContact O-N 3.07Å
902	S	35.1	Very low	35.9	Very low	97 Å²	97	111.9 Å²	111.9	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-67.9	-17.2	170.9	-64.9	0	0	0	0	112.9	L898 M899	L898-S902 PolarHBondContact O-N 3.47Å; L898-S902 PolarHBondContact O-OG 2.87Å; M899-S902 PolarHBondContact O-N 3.34Å
903	L	36.6	Very low	35.8	Very low	146 Å²	146	110.3 Å²	110.3	76%	0.764	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	5.3	170.3	-73.1	159.2	0	0	0	112.9	N900 A901	N900-L903 WeakPolarHBondContact O-CB 3.34Å; N900-L903 PolarHBondContact O-N 3.37Å; A901-L903 PolarHBondContact O-N 3.48Å
904	S	32.5	Very low	35.5	Very low	91 Å²	91	110.7 Å²	110.7	64%	0.636	62%	0.62	S	S	*	*			trans	-158.3	81.8	-173.9	-74.6	0	0	0	0	113.7	A901	A901-S904 CarbonylContact O-C 3.59Å; A901-S904 PolarHBondContact O-N 3.07Å
905	R	34.1	Very low	35.2	Very low	172 Å²	172	114 Å²	114	65%	0.649	64%	0.64	S	S	*	*			trans	-138.8	98.4	170.5	-74.1	-171.6	-172.9	-142.5	2	115
906	T	34.4	Very low	34.8	Very low	140 Å²	140	114.3 Å²	114.3	86%	0.859	65%	0.649	S	S	*	*			trans	-164.4	81.4	148.5	19.6	0	0	0	0	105.4
907	M	36.4	Very low	34.3	Very low	152 Å²	152	118 Å²	118	75%	0.749	67%	0.666	S	S	*	*				68.5	145.4	91.3	-72.2	-66.5	176.2	0	0	114.2
908	P	34	Very low	33.8	Very low	129 Å²	129	123.9 Å²	123.9	84%	0.838	68%	0.684	S	S	*	*			cis	-121.1	-150.9	11.1	40.3	-24.2	0	0	0	114.8
909	H	29	Very low	33.7	Very low	138 Å²	138	124.1 Å²	124.1	64%	0.639	70%	0.699	S	S	*	*			trans	-138.8	146.9	-149.9	170.2	39.2	0	0	0	114.4
910	I	30.9	Very low	33.7	Very low	156 Å²	156	123.2 Å²	123.2	80%	0.8	70%	0.703	S	S	*	*			trans	-166.3	112.7	153	-91.8	141.8	0	0	0	105.2
911	Q	28	Very low	33.4	Very low	136 Å²	136	125.8 Å²	125.8	64%	0.636	72%	0.716	S	S	*	*				55.9	129.5	86	-62.3	-174.2	-2.9	0	0	113.6
912	T	28.4	Very low	33.1	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	74%	0.737	S	S	*	*			cis	-169.8	168.7	1	13.1	0	0	0	0	107.5
913	S	32.1	Very low	33	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	74%	0.739	S	S	*	*			cis	-168.9	161.4	-4.8	44.6	0	0	0	0	111
914	S	29.7	Very low	33	Very low	93 Å²	93	130.4 Å²	130.4	65%	0.65	74%	0.737	S	S	*	*			trans	52.6	133.9	150.6	57.3	0	0	0	0	123.6
915	D	31.8	Very low	33.2	Very low	154 Å²	154	130.7 Å²	130.7	82%	0.824	75%	0.745	S	S	*	*			trans	68.1	145.8	152.1	-54.9	-21.4	0	0	0	120.2
916	S	31.3	Very low	33.4	Very low	89 Å²	89	129.6 Å²	129.6	62%	0.622	75%	0.745	S	S	*	*			cis	-163.7	164.9	-20.4	55.6	0	0	0	0	111.5
917	N	33.7	Very low	33.5	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	73%	0.731	S	S	*	*			trans	75.4	143.7	155.7	-59.8	-20.8	0	0	0	123.1
918	E	33.8	Very low	33.5	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	73%	0.731	S	S	*	*			trans	62.5	102.5	148.1	-68.9	179.7	154.2	0	0	124.3
919	A	36.9	Very low	33.4	Very low	97 Å²	97	129.2 Å²	129.2	80%	0.802	74%	0.736	S	S	*	*				65.4	157.9	115.9	0	0	0	0	0	122.9
920	P	37.2	Very low	33.5	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	74%	0.741	S	S	*	*			trans	-117.8	-167.2	-160.7	43.3	-31.2	0	0	0	116.6
921	L	35.9	Very low	33.5	Very low	156 Å²	156	128.7 Å²	128.7	82%	0.817	75%	0.746	S	S	*	*			trans	82.5	150	-179.5	-93.6	71.2	0	0	0	115.7
922	D	32.6	Very low	33.4	Very low	130 Å²	130	129.1 Å²	129.1	70%	0.695	75%	0.752	S	S	*	*			cis	-156	172.9	-10.6	-150.8	0.6	0	0	0	114.5
923	L	33.5	Very low	33.6	Very low	137 Å²	137	128.8 Å²	128.8	72%	0.717	75%	0.75	S	S	*	*			trans	11.4	117.8	160.2	-76.4	163.3	0	0	0	125.9
924	S	37	Very low	33.3	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	75%	0.753	S	S	*	*				79.5	138.6	122.3	79.9	0	0	0	0	126
925	A	37.4	Very low	33.5	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	76%	0.758	S	S	*	*			trans	67.3	158.3	154.2	0	0	0	0	0	119.5
926	K	38.4	Very low	33.5	Very low	149 Å²	149	130.6 Å²	130.6	65%	0.648	76%	0.758	S	S	*	*			cis	-157.2	153.1	-4	-140.8	178	-178	179.8	0	113.1
927	T	35.3	Very low	33.7	Very low	91 Å²	91	129.8 Å²	129.8	56%	0.558	76%	0.764	S	S	*	*			trans	15.3	117	154.9	-54.3	0	0	0	0	124.8
928	T	36.4	Very low	33.7	Very low	123 Å²	123	129.9 Å²	129.9	76%	0.755	76%	0.764	S	S	*	*				32.8	136.8	124	-36.7	0	0	0	0	124.6
929	Q	32.5	Very low	33.9	Very low	199 Å²	199	128.3 Å²	128.3	93%	0.93	76%	0.762	S	S	*	*			trans	-150.5	168.5	141	-114.5	-178	14.6	0	0	112.5
930	S	30.8	Very low	33.8	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	76%	0.76	S	S	*	*			trans	-160.8	139.7	-166.4	55.7	0	0	0	0	114.9
931	I	30.7	Very low	33.4	Very low	174 Å²	174	129.3 Å²	129.3	89%	0.892	75%	0.754	S	S	*	*			trans	-142	151.7	174.5	-64.1	-175.4	0	0	0	112
932	N	27	Very low	33.4	Very low	145 Å²	145	129.1 Å²	129.1	78%	0.775	75%	0.749	S	S	*	*			trans	-81.8	174.3	-176.4	-65.3	-45.2	0	0	0	115.4
933	V	30.8	Very low	33.3	Very low	124 Å²	124	129 Å²	129	75%	0.752	75%	0.748	S	S	*	*				177.1	115.2	109.7	154.3	0	0	0	0	114.3
934	N	27.3	Very low	33.4	Very low	136 Å²	136	126.9 Å²	126.9	73%	0.727	75%	0.745	S	S	*	*			trans	50.7	150.9	139.8	-53	-2.1	0	0	0	126.6
935	S	33.2	Very low	33.1	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	75%	0.745	S	S	*	*			trans	77.6	143.6	149.7	-62.7	0	0	0	0	119.3
936	T	31.2	Very low	32.8	Very low	137 Å²	137	127.5 Å²	127.5	84%	0.84	74%	0.743	S	S	*	*			cis	-165.4	152.2	-13.9	19	0	0	0	0	107.8
937	G	36.1	Very low	32.3	Very low	72 Å²	72	128.5 Å²	128.5	74%	0.742	75%	0.748	S	S	*	*			trans	160.3	71.3	171	0	0	0	0	0	118.5
938	D	34	Very low	32.2	Very low	145 Å²	145	131.3 Å²	131.3	78%	0.775	76%	0.758	S	S	*	*			trans	18.8	121.3	147.6	-46.3	-27.1	0	0	0	121.7
939	N	37.4	Very low	31.9	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	75%	0.753	S	S	*	*				156.3	111.7	118	-83.5	-69.7	0	0	0	110.3
940	N	34.2	Very low	31.7	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	75%	0.745	S	S	*	*				69.8	116.2	83	-163.3	65.4	0	0	0	111.7
941	C	29.6	Very low	32	Very low	92 Å²	92	131.5 Å²	131.5	62%	0.622	74%	0.741	S	S	*	*			cis	-164.1	172.9	6	-129.5	0	0	0	0	108.5
942	Q	36.3	Very low	31.9	Very low	151 Å²	151	130.1 Å²	130.1	71%	0.706	74%	0.736	S	S	*	*			cis	-161.1	172.6	-0.9	-150.6	179.4	107.2	0	0	111
943	N	30.8	Very low	32	Very low	129 Å²	129	127.5 Å²	127.5	69%	0.69	74%	0.735	S	S	*	*			trans	-0.7	153.2	145.9	-60.9	-6.9	0	0	0	120.4
944	S	34.2	Very low	32.1	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	74%	0.739	S	S	*	*			cis	-163.1	144.5	6.1	-114.2	0	0	0	0	109.7
945	S	31.5	Very low	32.2	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	74%	0.736	S	S	*	*				46	132.9	84.7	85.3	0	0	0	0	115.5
946	S	31.6	Very low	32.3	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	73%	0.731	S	S	*	*			cis	-165.1	158.4	6.1	50.8	0	0	0	0	113.2
947	F	26.6	Very low	32.1	Very low	170 Å²	170	130.5 Å²	130.5	75%	0.746	72%	0.724	S	S	*	*			trans	5.7	128.5	138.8	-162.7	-91.6	0	0	0	119.4	L949	F947-L949 HydrophobicContact CE1-CD1 4Å; F947-L949 HydrophobicContact CZ-CD1 4.04Å
948	I	33.7	Very low	32.1	Very low	150 Å²	150	134.6 Å²	134.6	77%	0.769	73%	0.729	S	S	*	*			trans	-167	162.6	131.7	-97.9	-67.2	0	0	0	108.1
949	L	29.6	Very low	32	Very low	126 Å²	126	136.3 Å²	136.3	66%	0.66	73%	0.733	S	S	*	*			trans	-91.1	165.9	-172	-63.5	95.6	0	0	0	114.9	F947	F947-L949 HydrophobicContact CE1-CD1 4Å; F947-L949 HydrophobicContact CZ-CD1 4.04Å
950	E	29.4	Very low	32.1	Very low	162 Å²	162	136.1 Å²	136.1	76%	0.757	73%	0.731	S	S	*	*				108.3	146.8	128.6	-128.2	-176.7	-141.8	0	0	120.5
951	Q	35.9	Very low	32.3	Very low	146 Å²	146	135.1 Å²	135.1	68%	0.682	73%	0.726	S	S	*	*			trans	74.5	98.6	162.2	-53.2	-168.4	34.2	0	0	121.2
952	N	29.5	Very low	32.8	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	74%	0.739	S	S	*	*				63.2	99.8	119	-59.3	-24.1	0	0	0	121.9
953	A	29.9	Very low	32.7	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	74%	0.742	S	S	*	*				77.4	154.2	121.7	0	0	0	0	0	121.3
954	Q	32.2	Very low	32.7	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	75%	0.745	S	S	*	*			trans	71.4	147	168.2	-63.5	-171.3	-9.4	0	0	115.9
955	I	29.2	Very low	32.8	Very low	131 Å²	131	142.2 Å²	142.2	67%	0.672	76%	0.755	S	S	*	*			cis	-167.7	164.4	-21.3	-119.2	167.3	0	0	0	107.7
956	I	34.7	Very low	32.7	Very low	128 Å²	128	142.2 Å²	142.2	66%	0.656	75%	0.75	S	S	*	*			trans	70.7	112.5	167.5	-79.5	156.4	0	0	0	118.7
957	D	27.3	Very low	32.7	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	76%	0.756	S	S	*	*				31.2	135.2	124.7	-27.7	-37.3	0	0	0	121.4
958	N	35.8	Very low	32.9	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	75%	0.747	S	S	*	*				-170.8	156	101.9	-94.7	-72.7	0	0	0	111
959	E	33.4	Very low	33	Very low	181 Å²	181	144 Å²	144	85%	0.846	75%	0.754	S	S	*	*			trans	-95.4	156.8	178	-56.8	-177.5	130.1	0	0	111.6
960	D	38.7	Very low	33	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	75%	0.754	S	S	*	*			trans	-173.9	123.5	135.8	-109.4	-5.2	0	0	0	114.4
961	N	38.1	Very low	33.4	Very low	121 Å²	121	145.5 Å²	145.5	65%	0.647	76%	0.762	S	S	*	*			trans	38.4	122.5	140.3	-46.9	-45	0	0	0	121.3
962	N	39.3	Very low	33.2	Very low	168 Å²	168	145.3 Å²	145.3	90%	0.898	76%	0.759	S	S	*	*				-175.1	166.6	89.3	-95.2	-74.9	0	0	0	112.3
963	D	34.8	Very low	33.2	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	75%	0.752	S	S	*	*			trans	-92.6	168.2	-153.1	-124.9	-44	0	0	0	117.8
964	F	32.3	Very low	33.4	Very low	174 Å²	174	145.6 Å²	145.6	76%	0.763	76%	0.756	S	S	*	*			trans	-73	175.2	172.6	-76.2	-102.1	0	0	0	112.5
965	P	35.6	Very low	33.3	Very low	130 Å²	130	142.2 Å²	142.2	84%	0.844	75%	0.748	S	S	*	*				-134.5	153.5	97.3	35.5	-24.6	0	0	0	115.1
966	V	29.6	Very low	33.6	Very low	105 Å²	105	142 Å²	142	64%	0.636	76%	0.755	S	S	*	*			trans	-80.4	151.6	178.2	171.2	0	0	0	0	111.3	N968	V966-N968 WeakPolarHBondContact CG1-OD1 3.48Å
967	N	31.9	Very low	33.5	Very low	163 Å²	163	141 Å²	141	87%	0.872	76%	0.759	S	S	*	*			trans	-126	127.4	152.8	-164	14.7	0	0	0	109.8
968	N	30.3	Very low	33.5	Very low	105 Å²	105	142.6 Å²	142.6	56%	0.561	77%	0.767	S	S	*	*			trans	-96.6	146.7	-176.8	-75.4	-17.3	0	0	0	110.8	V966	V966-N968 WeakPolarHBondContact CG1-OD1 3.48Å
969	Q	35.3	Very low	33.3	Very low	199 Å²	199	142 Å²	142	93%	0.93	76%	0.762	S	S	*	*			trans	-151.2	115.8	147.4	-118.5	169.8	13.3	0	0	110.8
970	D	29.2	Very low	33.3	Very low	120 Å²	120	143.1 Å²	143.1	64%	0.642	77%	0.768	S	S	*	*			trans	-71.8	135.3	-177.3	-57.9	-99.4	0	0	0	112.5	F972	D970-F972 HydrophobicContact CB-CD2 4.08Å; D970-F972 HydrophobicContact CB-CE2 4.04Å
971	Q	37.7	Very low	33	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	77%	0.765	S	S	*	*			trans	-130.3	112	151.4	-71.7	-162.9	-0.7	0	0	110
972	F	32.3	Very low	32.8	Very low	142 Å²	142	141.5 Å²	141.5	62%	0.623	76%	0.759	S	S	*	*			trans	-77.8	143.6	-176	-88	-123	0	0	0	112.2	M1 D970 S974	M1-F972 HydrophobicContact CE-CE1 4.19Å; D970-F972 HydrophobicContact CB-CD2 4.08Å; D970-F972 HydrophobicContact CB-CE2 4.04Å; F972-S974 PolarHBondContact O-N 2.94Å
973	L	29.8	Very low	32.6	Very low	120 Å²	120	142.5 Å²	142.5	63%	0.628	76%	0.759	S	S	*	*			trans	35.6	83.8	139.9	-54.7	177.8	0	0	0	117.8	M1	M1-L973 HydrophobicContact CE-CD1 4.46Å; M1-L973 HydrophobicContact CG-CD1 4.42Å; M1-L973 HydrophobicContact SD-CD1 3.75Å
974	S	33.1	Very low	32.5	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	76%	0.763	S	S	*	*			trans	-92.1	106	155.6	-70	0	0	0	0	110.2	F972	F972-S974 PolarHBondContact O-N 2.94Å
975	V	30.3	Very low	32.7	Very low	108 Å²	108	138 Å²	138	66%	0.655	77%	0.765	S	S	*	*			trans	-76.7	130.2	172.5	-177.3	0	0	0	0	108.8	S977	V975-S977 PolarHBondContact O-N 3.41Å
976	P	35.8	Very low	32.7	Very low	127 Å²	127	137.1 Å²	137.1	83%	0.825	76%	0.763	S	S	*	*			trans	-67	97.3	166.6	-19.8	33.6	0	0	0	109.7
977	S	32.4	Very low	33	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	77%	0.766	S	S	*	*			trans	-61.3	172.6	173.8	-68.7	0	0	0	0	112.3	V975	V975-S977 PolarHBondContact O-N 3.41Å
978	L	28.9	Very low	33.4	Very low	165 Å²	165	140.4 Å²	140.4	86%	0.864	77%	0.766	S	S	*	*	S	Bend	trans	-59.2	171.6	178.1	-78	70.2	0	0	0	112.2
979	I	31.1	Very low	33.7	Very low	147 Å²	147	146.9 Å²	146.9	75%	0.754	78%	0.782	S	S	*	*			trans	83.9	89.7	-178.8	-47	162.8	0	0	0	113.3
980	Q	32.6	Very low	33.6	Very low	204 Å²	204	142.9 Å²	142.9	95%	0.953	78%	0.776	S	S	*	*			trans	-126.4	68.6	148.8	-75	-164.4	-6.2	0	0	109.2	E982	Q980-E982 PolarHBondContact O-N 2.96Å
981	T	33.7	Very low	33.9	Very low	116 Å²	116	143.8 Å²	143.8	71%	0.712	79%	0.786	S	S	*	*			trans	-69.1	118.3	164.2	-54.2	0	0	0	0	108.3
982	E	32.7	Very low	33.9	Very low	112 Å²	112	139 Å²	139	52%	0.523	78%	0.775	S	S	.	*			trans	28.2	116.1	151.2	-51.9	-173.4	-164.8	0	0	119.3	Q980	Q980-E982 PolarHBondContact O-N 2.96Å
983	H	34.5	Very low	34.1	Very low	190 Å²	190	138 Å²	138	88%	0.88	78%	0.78	S	S	*	*				-175.5	109.3	125.5	-88.2	-49.5	0	0	0	110.5
984	A	33.3	Very low	34.7	Very low	102 Å²	102	139.7 Å²	139.7	84%	0.843	80%	0.796	S	S	*	*			trans	-153.6	42.2	177.5	0	0	0	0	0	113.6
985	S	37.6	Very low	34.9	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	80%	0.796	S	S	*	*			trans	-123.5	74.8	179.9	-69.5	0	0	0	0	112.4
986	S	35.1	Very low	35.5	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	80%	0.804	S	S	*	*			trans	49	95.3	151.2	177.7	0	0	0	0	119.6
987	V	35.9	Very low	35.6	Very low	115 Å²	115	140.8 Å²	140.8	70%	0.697	81%	0.805	S	S	*	*				-144.9	128.7	121.8	-169.5	0	0	0	0	109.2
988	Y	40	Very low	36.1	Very low	222 Å²	222	143.5 Å²	143.5	87%	0.871	81%	0.812	S	S	*	*				160.9	154.7	128	-90.2	-67.7	0	0	0	112.2
989	R	36.2	Very low	36.6	Very low	241 Å²	241	139.3 Å²	139.3	91%	0.909	81%	0.809	S	S	*	*			trans	-86.2	160.8	-168.4	-77.5	-179.5	171.8	177.8	-2.4	112.9
990	S	33.1	Very low	37.1	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	81%	0.81	S	S	*	*			trans	-59.7	149.1	-179.8	-36.7	0	0	0	0	114.9
991	T	36.9	Very low	38.3	Very low	139 Å²	139	137.2 Å²	137.2	85%	0.853	81%	0.806	S	S	*	*				-141.8	149.1	121	-31.4	0	0	0	0	109.8
992	S	36	Very low	39.6	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	81%	0.809	S	S	*	*			trans	-76.3	164.6	171.3	48.6	0	0	0	0	110.4
993	T	37.3	Very low	41.3	Very low	121 Å²	121	143.7 Å²	143.7	74%	0.742	82%	0.824	S	S	*	*			cis	-155.1	142.1	36.9	40.2	0	0	0	0	113.2
994	T	43.2	Very low	43.3	Very low	155 Å²	155	146 Å²	146	95%	0.951	83%	0.825	S	S	*	*			trans	-173.1	146.2	137.5	16	0	0	0	0	109.4
995	S	37	Very low	45.8	Very low	121 Å²	121	145.5 Å²	145.5	85%	0.846	81%	0.811	S	S	*	*			trans	-118.2	111	-168.7	54	0	0	0	0	112.9
996	S	41.4	Very low	48.2	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	81%	0.806	S	S	*	*			trans	-150.3	132.9	159.6	61.4	0	0	0	0	111.5	N998	S996-N998 PolarHBondContact O-N 3Å
997	T	38.5	Very low	51	Low	139 Å²	139	142.1 Å²	142.1	85%	0.853	78%	0.783	S	S	*	*			trans	-66	117.4	-172.2	47.3	0	0	0	0	113.5
998	N	43.4	Very low	53.7	Low	163 Å²	163	138.7 Å²	138.7	87%	0.872	76%	0.762	S	S	*	*			trans	-150.2	133.4	157.7	-109.2	-50.6	0	0	0	112.5	S996 G1000	S996-N998 PolarHBondContact O-N 3Å; N998-G1000 PolarHBondContact O-N 2.93Å
999	G	38.9	Very low	56.3	Low	77 Å²	77	131.6 Å²	131.6	79%	0.794	75%	0.749	S	S	*	*			trans	-75.7	88.5	-168.6	0	0	0	0	0	113.9	R1001	G999-R1001 PolarHBondContact O-N 3.41Å
1000	G	42.8	Very low	59	Low	75 Å²	75	122.2 Å²	122.2	77%	0.773	72%	0.717	S	S	*	*			trans	-47.2	118.4	-179.8	0	0	0	0	0	113.8	N998 R1002	N998-G1000 PolarHBondContact O-N 2.93Å; G1000-R1002 PolarHBondContact O-N 3.46Å
1001	R	55.9	Low	61.9	Low	232 Å²	232	117.6 Å²	117.6	88%	0.875	68%	0.683	S	S	*	*			trans	-68.8	121.8	175.3	-57.2	179.6	-170.2	-177.2	5.2	107.8	G999 N1003	G999-R1001 PolarHBondContact O-N 3.41Å; R1001-N1003 PolarHBondContact O-N 3.3Å; R1001-N1003 PolarHBondContact O-OD1 3.15Å
1002	R	62.4	Low	64.7	Low	207 Å²	207	112.4 Å²	112.4	78%	0.781	65%	0.652	S	S	*	*			trans	-59.3	113.5	173.7	-84.1	-171.9	-101.5	103	-8.9	110	G1000 R1004	G1000-R1002 PolarHBondContact O-N 3.46Å; R1002-R1004 PolarHBondContact O-N 3.32Å
1003	N	68.5	Low	67.5	Low	157 Å²	157	110.7 Å²	110.7	84%	0.84	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-53.6	130.2	177.8	-67.6	10.5	0	0	0	109.8	R1001	R1001-N1003 PolarHBondContact O-N 3.3Å; R1001-N1003 PolarHBondContact O-OD1 3.15Å
1004	R	75.8	Confident	70.2	Confident	239 Å²	239	105 Å²	105	90%	0.902	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-92.9	126	173.3	-170.8	-176.7	-160.8	-158.7	0.9	107.2	R1002 S1006	R1002-R1004 PolarHBondContact O-N 3.32Å; R1004-S1006 PolarHBondContact O-N 3.22Å
1005	T	85.1	Confident	72.7	Confident	90 Å²	90	97.6 Å²	97.6	55%	0.552	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-53.7	117.5	171.8	-41.8	0	0	0	0	109	L1039 V1043	T1005-L1039 HydrophobicContact CG2-CD2 4.08Å; T1005-V1043 HydrophobicContact CG2-CG1 4.45Å; T1005-V1043 HydrophobicContact CG2-CG2 4.21Å
1006	S	89.3	Confident	75.5	Confident	100 Å²	100	95 Å²	95	70%	0.699	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-75.2	153.2	166.1	-160.2	0	0	0	0	108.6	R1004	R1004-S1006 PolarHBondContact O-N 3.22Å
1007	I	92.5	Very high	78	Confident	60 Å²	60	90 Å²	90	31%	0.308	49%	0.49	S	S	.	.			trans	-121.8	121.5	174.3	-63	177.5	0	0	0	105.8	Q1011 M1015 L1039 V1043	I1007-Q1011 HydrophobicContact CG2-CB 3.81Å; I1007-M1015 HydrophobicContact CD1-CE 4.43Å; I1007-M1015 HydrophobicContact CG2-CE 3.64Å; I1007-L1039 HydrophobicContact CG1-CD1 4.28Å; I1007-L1039 HydrophobicContact CG2-CD1 4.28Å; I1007-V1043 HydrophobicContact CD1-CG1 3.84Å; I1007-V1043 HydrophobicContact CG1-CG1 4.2Å
1008	T	94	Very high	80.6	Confident	43 Å²	43	83.4 Å²	83.4	26%	0.264	45%	0.449	S	S	.	.			trans	-73.3	161.5	-176.2	68.8	0	0	0	0	111.4	L1010 Q1011 S1012	T1008-L1010 PolarHBondContact O-N 3.29Å; T1008-Q1011 PolarHBondContact O-N 3.15Å; T1008-Q1011 VanDerWaalsContact OG1-CG 3.29Å; T1008-Q1011 WeakPolarHBondContact OG1-CG 3.07Å; T1008-Q1011 PolarHBondContact OG1-N 3.45Å; T1008-Q1011 PolarHBondContact OG1-OE1 3.48Å; T1008-S1012 PolarHBondContact O-N 3.35Å
1009	A	93.3	Very high	83.1	Confident	72 Å²	72	76 Å²	76	60%	0.595	41%	0.409	S	S	*	.	H	α-helix	trans	-58.9	-38.6	175.8	0	0	0	0	0	111.6	S1012 R1013	A1009-S1012 PolarHBondContact O-N 2.69Å; A1009-R1013 WeakPolarHBondContact O-CG 3.36Å; A1009-R1013 PolarHBondContact O-N 3.11Å
1010	L	93	Very high	85.6	Confident	44 Å²	44	77.9 Å²	77.9	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-57.9	-57.7	172.4	179	61.3	0	0	0	111.5	T1008 S1012 R1013 C1014 L1146 C1149 T1150	T1008-L1010 PolarHBondContact O-N 3.29Å; L1010-S1012 VanDerWaalsContact C-N 3.27Å; L1010-S1012 PolarHBondContact O-N 3.49Å; L1010-R1013 PolarHBondContact O-N 2.93Å; L1010-R1013 VanDerWaalsContact O-N 3.11Å; L1010-C1014 PolarHBondContact O-N 2.85Å; L1010-C1014 PolarHBondContact O-SG 3.44Å; L1010-C1014 VanDerWaalsContact O-SG 3.33Å; L1010-L1146 HydrophobicContact CD1-CD1 4.06Å; L1010-L1146 HydrophobicContact CD2-CD1 3.91Å; L1010-L1146 HydrophobicContact CG-CD1 3.96Å; L1010-C1149 VanDerWaalsContact CD1-C 3.42Å; L1010-C1149 HydrophobicContact CD1-CB 3.68Å; L1010-C1149 WeakPolarHBondContact CD1-O 3.35Å; L1010-T1150 HydrophobicContact CD1-CG2 3.61Å; L1010-T1150 HydrophobicContact CD2-CG2 3.64Å; L1010-T1150 HydrophobicContact CG-CG2 4.29Å
1011	Q	95.4	Very high	87.8	Confident	18 Å²	18	78.8 Å²	78.8	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-54.6	-42.9	178.4	-74.3	165.1	-9.4	0	0	112.2	I1007 T1008 M1015 I1037 L1039	I1007-Q1011 HydrophobicContact CG2-CB 3.81Å; T1008-Q1011 PolarHBondContact O-N 3.15Å; T1008-Q1011 VanDerWaalsContact OG1-CG 3.29Å; T1008-Q1011 WeakPolarHBondContact OG1-CG 3.07Å; T1008-Q1011 PolarHBondContact OG1-N 3.45Å; T1008-Q1011 PolarHBondContact OG1-OE1 3.48Å; Q1011-M1015 HydrophobicContact CB-CE 4.32Å; Q1011-M1015 WeakPolarHBondContact O-CE 3.47Å; Q1011-M1015 WeakPolarHBondContact O-CG 3.27Å; Q1011-M1015 PolarHBondContact O-N 2.91Å; Q1011-I1037 HydrophobicContact CB-CD1 4.44Å; Q1011-I1037 HydrophobicContact CG-CB 4.08Å; Q1011-I1037 HydrophobicContact CG-CG1 4.23Å; Q1011-I1037 WeakPolarHBondContact CG-O 3.43Å; Q1011-I1037 PolarHBondContact NE2-O 3.17Å; Q1011-L1039 HydrophobicContact CB-CD1 4.04Å; Q1011-L1039 HydrophobicContact CG-CD1 4.06Å; Q1011-L1039 HydrophobicContact CG-CG 4.21Å
1012	S	94.4	Very high	89.5	Confident	30 Å²	30	68.9 Å²	68.9	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-71.1	-33.7	-179.9	-154	0	0	0	0	112.8	T1008 A1009 L1010 H1016 W1047	T1008-S1012 PolarHBondContact O-N 3.35Å; A1009-S1012 PolarHBondContact O-N 2.69Å; L1010-S1012 VanDerWaalsContact C-N 3.27Å; L1010-S1012 PolarHBondContact O-N 3.49Å; S1012-H1016 WeakPolarHBondContact O-CB 3.21Å; S1012-H1016 PolarHBondContact O-CD2 3.1Å; S1012-H1016 PolarHBondContact O-N 3.5Å; S1012-W1047 PolarHBondContact OG-NE1 3.29Å
1013	R	94.5	Very high	91.1	Very high	62 Å²	62	63 Å²	63	23%	0.234	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-46.8	173.1	-77.9	-177.8	-61.7	-165.2	2.2	112	A1009 L1010 M1015 H1016 S1017 C1149 D1152 T1153	A1009-R1013 WeakPolarHBondContact O-CG 3.36Å; A1009-R1013 PolarHBondContact O-N 3.11Å; L1010-R1013 PolarHBondContact O-N 2.93Å; L1010-R1013 VanDerWaalsContact O-N 3.11Å; R1013-M1015 VanDerWaalsContact C-N 3.32Å; R1013-M1015 PolarHBondContact O-N 2.98Å; R1013-H1016 PolarHBondContact O-N 2.73Å; R1013-H1016 VanDerWaalsContact O-N 3.11Å; R1013-S1017 PolarHBondContact O-N 3.04Å; R1013-C1149 HydrophobicContact CB-CB 4.26Å; R1013-C1149 PolarHBondContact NH2-O 3.34Å; R1013-D1152 VanDerWaalsContact NH1-CB 3.32Å; R1013-D1152 PolarHBondContact NH1-O 2.7Å; R1013-T1153 VanDerWaalsContact NH2-CG2 3.34Å; R1013-T1153 PolarHBondContact NH2-OG1 3.18Å
1014	C	94.4	Very high	92.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-45.9	176	-59.3	0	0	0	0	111.3	L1010 H1016 S1017 I1018 I1037 L1145	L1010-C1014 PolarHBondContact O-N 2.85Å; L1010-C1014 PolarHBondContact O-SG 3.44Å; L1010-C1014 VanDerWaalsContact O-SG 3.33Å; C1014-H1016 PolarHBondContact O-N 3.14Å; C1014-S1017 PolarHBondContact O-N 3.07Å; C1014-I1018 WeakPolarHBondContact O-CG1 3.29Å; C1014-I1018 PolarHBondContact O-N 3.17Å; C1014-I1037 HydrophobicContact CB-CG2 4.08Å; C1014-L1145 HydrophobicContact CB-CD2 4.33Å; C1014-L1145 HydrophobicContact CB-CG 4.37Å
1015	M	96.6	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-34.7	175.6	-70.4	-173	-74.2	0	0	113.1	I1007 Q1011 R1013 Y1019 L1033 I1037 L1039 V1044 W1047 F1048	I1007-M1015 HydrophobicContact CD1-CE 4.43Å; I1007-M1015 HydrophobicContact CG2-CE 3.64Å; Q1011-M1015 HydrophobicContact CB-CE 4.32Å; Q1011-M1015 WeakPolarHBondContact O-CE 3.47Å; Q1011-M1015 WeakPolarHBondContact O-CG 3.27Å; Q1011-M1015 PolarHBondContact O-N 2.91Å; R1013-M1015 VanDerWaalsContact C-N 3.32Å; R1013-M1015 PolarHBondContact O-N 2.98Å; M1015-Y1019 VanDerWaalsContact O-CB 3.24Å; M1015-Y1019 WeakPolarHBondContact O-CB 3.37Å; M1015-Y1019 PolarHBondContact O-N 2.88Å; M1015-L1033 HydrophobicContact CG-CD2 4.18Å; M1015-I1037 HydrophobicContact CE-CD1 4.21Å; M1015-I1037 HydrophobicContact CG-CD1 3.64Å; M1015-I1037 HydrophobicContact SD-CD1 3.92Å; M1015-L1039 HydrophobicContact CE-CD1 3.79Å; M1015-L1039 HydrophobicContact SD-CD1 4.42Å; M1015-V1044 HydrophobicContact SD-CB 4.5Å; M1015-V1044 HydrophobicContact SD-CG1 4.23Å; M1015-V1044 HydrophobicContact SD-CG2 4.31Å; M1015-W1047 VanDerWaalsContact C-CH2 3.41Å; M1015-W1047 HydrophobicContact CB-CD2 3.92Å; M1015-W1047 HydrophobicContact CB-CE3 3.78Å; M1015-W1047 HydrophobicContact CB-CH2 3.64Å; M1015-W1047 HydrophobicContact CB-CZ2 3.7Å; M1015-W1047 HydrophobicContact CB-CZ3 3.67Å; M1015-W1047 HydrophobicContact CE-CB 4.4Å; M1015-W1047 HydrophobicContact CE-CD2 4.07Å; M1015-W1047 HydrophobicContact CE-CG 3.8Å; M1015-W1047 HydrophobicContact CG-CD2 4.45Å; M1015-W1047 HydrophobicContact CG-CE3 4.43Å; M1015-W1047 WeakPolarHBondContact O-CH2 3.49Å; M1015-W1047 HydrophobicContact SD-CB 3.96Å; M1015-W1047 HydrophobicContact SD-CD2 3.77Å; M1015-W1047 HydrophobicContact SD-CE3 4.09Å; M1015-W1047 HydrophobicContact SD-CG 3.7Å; M1015-F1048 HydrophobicContact CB-CE2 4.3Å; M1015-F1048 HydrophobicContact CG-CE2 4.26Å
1016	H	95.1	Very high	93.8	Very high	65 Å²	65	47 Å²	47	30%	0.301	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-41.6	174.1	-82.2	-53.3	0	0	0	113.1	S1012 R1013 C1014 Y1019 N1020 W1047 Q1051	S1012-H1016 WeakPolarHBondContact O-CB 3.21Å; S1012-H1016 PolarHBondContact O-CD2 3.1Å; S1012-H1016 PolarHBondContact O-N 3.5Å; R1013-H1016 PolarHBondContact O-N 2.73Å; R1013-H1016 VanDerWaalsContact O-N 3.11Å; C1014-H1016 PolarHBondContact O-N 3.14Å; H1016-Y1019 WeakPolarHBondContact O-CB 3.36Å; H1016-Y1019 PolarHBondContact O-N 2.86Å; H1016-N1020 VanDerWaalsContact O-CG 3.29Å; H1016-N1020 PolarHBondContact O-N 3.4Å; H1016-N1020 VanDerWaalsContact O-N 3.08Å; H1016-N1020 PolarHBondContact O-OD1 3.34Å; H1016-W1047 HydrophobicContact CB-CH2 4.48Å; H1016-W1047 AromaticContact CD2-CZ2 3.91Å; H1016-W1047 AromaticContact CE1-CH2 3.8Å; H1016-W1047 AromaticContact CE1-CZ2 3.44Å; H1016-W1047 VanDerWaalsContact CE1-CZ2 3.44Å; H1016-W1047 WeakPolarHBondContact CE1-CZ2 3.4Å; H1016-W1047 AromaticContact CG-CH2 3.92Å; H1016-W1047 AromaticContact CG-CZ2 3.8Å; H1016-W1047 AromaticContact ND1-CH2 3.48Å; H1016-W1047 WeakPolarHBondContact ND1-CH2 3.17Å; H1016-W1047 AromaticContact ND1-CZ2 3.54Å; H1016-W1047 AromaticContact NE2-CZ2 3.68Å; H1016-Q1051 PolarHBondContact CE1-NE2 3.34Å
1017	S	93.2	Very high	94	Very high	16 Å²	16	45.6 Å²	45.6	11%	0.112	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-52.1	175.9	-175.1	0	0	0	0	110.7	R1013 C1014 Y1019 N1020 Y1021 L1145	R1013-S1017 PolarHBondContact O-N 3.04Å; C1014-S1017 PolarHBondContact O-N 3.07Å; S1017-Y1019 VanDerWaalsContact C-N 3.31Å; S1017-Y1019 PolarHBondContact O-N 2.82Å; S1017-N1020 PolarHBondContact O-N 2.98Å; S1017-Y1021 WeakPolarHBondContact O-CD2 3.46Å; S1017-L1145 WeakPolarHBondContact OG-CD1 3.4Å
1018	I	94.2	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-41.6	173.9	-64.6	-67.1	0	0	0	111.8	C1014 N1020 Y1021 H1022 L1033 F1048 L1136 F1137 L1142 L1145	C1014-I1018 WeakPolarHBondContact O-CG1 3.29Å; C1014-I1018 PolarHBondContact O-N 3.17Å; I1018-N1020 VanDerWaalsContact C-N 3.28Å; I1018-N1020 PolarHBondContact O-N 3.14Å; I1018-Y1021 PolarHBondContact O-N 3.01Å; I1018-H1022 PolarHBondContact O-N 3.22Å; I1018-L1033 HydrophobicContact CB-CD2 4.45Å; I1018-L1033 HydrophobicContact CG1-CD1 4.37Å; I1018-L1033 HydrophobicContact CG1-CD2 4.34Å; I1018-L1033 HydrophobicContact CG2-CD2 4.28Å; I1018-F1048 HydrophobicContact CB-CZ 4.23Å; I1018-F1048 HydrophobicContact CG2-CE1 4.24Å; I1018-F1048 HydrophobicContact CG2-CZ 3.76Å; I1018-L1136 HydrophobicContact CD1-CB 4.26Å; I1018-L1136 HydrophobicContact CD1-CD2 4.49Å; I1018-F1137 HydrophobicContact CG2-CE1 3.81Å; I1018-F1137 HydrophobicContact CG2-CE2 3.98Å; I1018-F1137 HydrophobicContact CG2-CZ 3.25Å; I1018-L1142 HydrophobicContact CD1-CD2 4.08Å; I1018-L1145 HydrophobicContact CD1-CD2 3.8Å; I1018-L1145 HydrophobicContact CG1-CD2 3.68Å
1019	Y	95.7	Very high	94.3	Very high	6 Å²	6	47.8 Å²	47.8	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-33.6	180	-171.9	-88.6	0	0	0	113.5	M1015 H1016 S1017 Y1021 K1023 W1047 F1048 Q1051 R1052 E1055	M1015-Y1019 VanDerWaalsContact O-CB 3.24Å; M1015-Y1019 WeakPolarHBondContact O-CB 3.37Å; M1015-Y1019 PolarHBondContact O-N 2.88Å; H1016-Y1019 WeakPolarHBondContact O-CB 3.36Å; H1016-Y1019 PolarHBondContact O-N 2.86Å; S1017-Y1019 VanDerWaalsContact C-N 3.31Å; S1017-Y1019 PolarHBondContact O-N 2.82Å; Y1019-Y1021 VanDerWaalsContact C-N 3.28Å; Y1019-Y1021 PolarHBondContact O-N 2.84Å; Y1019-K1023 HydrophobicContact CD1-CG 4.1Å; Y1019-K1023 HydrophobicContact CD2-CG 4.49Å; Y1019-K1023 HydrophobicContact CE1-CD 3.94Å; Y1019-K1023 HydrophobicContact CE1-CG 3.76Å; Y1019-K1023 HydrophobicContact CE2-CB 4.11Å; Y1019-K1023 HydrophobicContact CE2-CG 4.18Å; Y1019-K1023 HydrophobicContact CG-CG 4.44Å; Y1019-K1023 WeakPolarHBondContact O-CG 2.89Å; Y1019-W1047 AromaticContact CD2-CZ3 3.98Å; Y1019-W1047 HydrophobicContact CD2-CZ3 3.98Å; Y1019-W1047 HydrophobicContact CG-CH2 4.46Å; Y1019-W1047 HydrophobicContact CG-CZ3 4.29Å; Y1019-F1048 AromaticContact CD2-CD1 3.62Å; Y1019-F1048 HydrophobicContact CD2-CD1 3.62Å; Y1019-F1048 AromaticContact CD2-CE1 3.78Å; Y1019-F1048 HydrophobicContact CD2-CE1 3.78Å; Y1019-F1048 HydrophobicContact CE2-CD1 4.28Å; Y1019-F1048 HydrophobicContact CG-CE1 4.4Å; Y1019-Q1051 HydrophobicContact CD1-CG 3.89Å; Y1019-Q1051 HydrophobicContact CD2-CB 4.1Å; Y1019-Q1051 HydrophobicContact CD2-CG 3.59Å; Y1019-Q1051 HydrophobicContact CE1-CG 3.71Å; Y1019-Q1051 HydrophobicContact CE2-CB 3.78Å; Y1019-Q1051 HydrophobicContact CE2-CG 3.4Å; Y1019-Q1051 VanDerWaalsContact CE2-CG 3.4Å; Y1019-Q1051 HydrophobicContact CG-CG 3.85Å; Y1019-Q1051 VanDerWaalsContact CZ-CG 3.48Å; Y1019-R1052 HydrophobicContact CE2-CG 3.88Å; Y1019-R1052 WeakPolarHBondContact OH-CA 3.27Å; Y1019-R1052 WeakPolarHBondContact OH-CG 3.15Å; Y1019-R1052 PolarHBondContact OH-N 2.84Å; Y1019-E1055 VanDerWaalsContact CE1-OE2 3.32Å; Y1019-E1055 WeakPolarHBondContact CE1-OE2 3.4Å; Y1019-E1055 PolarHBondContact OH-OE2 3.24Å
1020	N	90.9	Very high	94.5	Very high	117 Å²	117	44.4 Å²	44.4	63%	0.626	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-34	-179.8	-68.1	-14.3	0	0	0	111.8	H1016 S1017 I1018	H1016-N1020 VanDerWaalsContact O-CG 3.29Å; H1016-N1020 PolarHBondContact O-N 3.4Å; H1016-N1020 VanDerWaalsContact O-N 3.08Å; H1016-N1020 PolarHBondContact O-OD1 3.34Å; S1017-N1020 PolarHBondContact O-N 2.98Å; I1018-N1020 VanDerWaalsContact C-N 3.28Å; I1018-N1020 PolarHBondContact O-N 3.14Å
1021	Y	88.9	Confident	94.6	Very high	94 Å²	94	44.1 Å²	44.1	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-94	-45.5	178.2	-54.4	-74.2	0	0	0	113.3	S1017 I1018 Y1019 F1132 L1136	S1017-Y1021 WeakPolarHBondContact O-CD2 3.46Å; I1018-Y1021 PolarHBondContact O-N 3.01Å; Y1019-Y1021 VanDerWaalsContact C-N 3.28Å; Y1019-Y1021 PolarHBondContact O-N 2.84Å; Y1021-F1132 HydrophobicContact CD1-CZ 4.07Å; Y1021-F1132 HydrophobicContact CG-CZ 4.18Å; Y1021-L1136 HydrophobicContact CD2-CD2 4.23Å; Y1021-L1136 HydrophobicContact CG-CD2 4.45Å
1022	H	92.9	Very high	94.7	Very high	25 Å²	25	47.3 Å²	47.3	12%	0.116	24%	0.237	C	C	.	.			trans	-127.1	96	178.8	-165.5	-145.9	0	0	0	112.5	I1018 T1024 E1029 L1136 F1137	I1018-H1022 PolarHBondContact O-N 3.22Å; H1022-T1024 VanDerWaalsContact C-N 3.27Å; H1022-T1024 PolarHBondContact CE1-O 3.27Å; H1022-T1024 VanDerWaalsContact CE1-O 3.29Å; H1022-T1024 PolarHBondContact NE2-O 3.26Å; H1022-T1024 PolarHBondContact NE2-OG1 3.21Å; H1022-T1024 PolarHBondContact O-N 3.14Å; H1022-E1029 IonicContact CE1-OE2 3.89Å; H1022-E1029 PolarHBondContact CE1-OE2 3.48Å; H1022-E1029 IonicContact ND1-OE2 3.28Å; H1022-E1029 PolarHBondContact ND1-OE2 2.97Å; H1022-L1136 HydrophobicContact CB-CD1 4.22Å; H1022-F1137 HydrophobicContact CB-CE2 4.28Å; H1022-F1137 AromaticContact ND1-CE2 3.77Å
1023	K	94.5	Very high	94.8	Very high	84 Å²	84	45.9 Å²	45.9	37%	0.365	23%	0.227	S	C	.	.	S	Bend	trans	-71.7	-13.5	-178.5	-65.6	-177.8	-179.7	-179.8	0	114.5	Y1019 R1052 E1055	Y1019-K1023 HydrophobicContact CD1-CG 4.1Å; Y1019-K1023 HydrophobicContact CD2-CG 4.49Å; Y1019-K1023 HydrophobicContact CE1-CD 3.94Å; Y1019-K1023 HydrophobicContact CE1-CG 3.76Å; Y1019-K1023 HydrophobicContact CE2-CB 4.11Å; Y1019-K1023 HydrophobicContact CE2-CG 4.18Å; Y1019-K1023 HydrophobicContact CG-CG 4.44Å; Y1019-K1023 WeakPolarHBondContact O-CG 2.89Å; K1023-R1052 WeakPolarHBondContact O-CD 3.47Å; K1023-R1052 PolarHBondContact O-NH1 2.91Å; K1023-E1055 IonicContact NZ-OE1 2.62Å; K1023-E1055 PolarHBondContact NZ-OE1 3.34Å; K1023-E1055 IonicContact NZ-OE2 3.88Å
1024	T	95.1	Very high	94.9	Very high	83 Å²	83	43 Å²	43	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	-133.3	55.5	-167.6	45.1	0	0	0	0	114	H1022	H1022-T1024 VanDerWaalsContact C-N 3.27Å; H1022-T1024 PolarHBondContact CE1-O 3.27Å; H1022-T1024 VanDerWaalsContact CE1-O 3.29Å; H1022-T1024 PolarHBondContact NE2-O 3.26Å; H1022-T1024 PolarHBondContact NE2-OG1 3.21Å; H1022-T1024 PolarHBondContact O-N 3.14Å
1025	P	95.4	Very high	94.9	Very high	17 Å²	17	50.2 Å²	50.2	11%	0.11	25%	0.251	C	S	.	.			trans	-60.7	143.1	-178.1	25.1	-34.9	0	0	0	113.5	E1029 F1048 F1137	P1025-E1029 VanDerWaalsContact CA-OE2 3.25Å; P1025-E1029 WeakPolarHBondContact CA-OE2 3.36Å; P1025-E1029 HydrophobicContact CB-CB 3.75Å; P1025-E1029 WeakPolarHBondContact CB-OE2 3.38Å; P1025-F1048 HydrophobicContact CG-CB 4.31Å; P1025-F1048 HydrophobicContact CG-CD1 3.48Å; P1025-F1048 VanDerWaalsContact CG-CD1 3.48Å; P1025-F1048 HydrophobicContact CG-CD2 3.96Å; P1025-F1048 HydrophobicContact CG-CE1 3.69Å; P1025-F1048 HydrophobicContact CG-CE2 4.17Å; P1025-F1048 HydrophobicContact CG-CG 3.64Å; P1025-F1048 HydrophobicContact CG-CZ 4.05Å; P1025-F1137 HydrophobicContact CB-CE1 4.26Å; P1025-F1137 HydrophobicContact CB-CE2 4.46Å; P1025-F1137 HydrophobicContact CB-CZ 3.75Å
1026	S	95.9	Very high	94.8	Very high	49 Å²	49	52.4 Å²	52.4	34%	0.343	26%	0.261	S	S	.	.			trans	-67.2	176.6	173	72.2	0	0	0	0	112.8	H1028 E1029 C1030	S1026-H1028 PolarHBondContact O-N 3.14Å; S1026-E1029 WeakPolarHBondContact CB-OE1 3.32Å; S1026-E1029 VanDerWaalsContact N-CD 3.34Å; S1026-E1029 PolarHBondContact N-OE1 3.08Å; S1026-E1029 PolarHBondContact O-N 3.44Å; S1026-E1029 WeakPolarHBondContact OG-CG 3.25Å; S1026-E1029 PolarHBondContact OG-N 3.42Å; S1026-E1029 PolarHBondContact OG-OE1 3.39Å; S1026-C1030 PolarHBondContact O-N 2.8Å; S1026-C1030 PolarHBondContact O-SG 2.8Å
1027	V	95	Very high	94.8	Very high	71 Å²	71	49.9 Å²	49.9	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-58.4	-48	176.6	-177.2	0	0	0	0	110.6	C1030 D1031 R1041	V1027-C1030 WeakPolarHBondContact O-CB 3.22Å; V1027-C1030 PolarHBondContact O-N 3.47Å; V1027-D1031 PolarHBondContact O-N 3.47Å; V1027-R1041 WeakPolarHBondContact O-CD 3.46Å
1028	H	95.2	Very high	94.9	Very high	128 Å²	128	52 Å²	52	59%	0.593	27%	0.274	S	S	*	.	H	α-helix	trans	-71.3	-34.1	-178	-54.6	-63.7	0	0	0	112.9	S1026 C1030 D1031 R1032	S1026-H1028 PolarHBondContact O-N 3.14Å; H1028-C1030 VanDerWaalsContact C-N 3.33Å; H1028-D1031 WeakPolarHBondContact O-CB 3.43Å; H1028-D1031 PolarHBondContact O-N 2.76Å; H1028-R1032 WeakPolarHBondContact O-CG 3.21Å; H1028-R1032 PolarHBondContact O-N 3.29Å
1029	E	96.4	Very high	94.9	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-38.7	171	-72.7	160.8	-106.1	0	0	111.6	H1022 P1025 S1026 D1031 L1033 F1137	H1022-E1029 IonicContact CE1-OE2 3.89Å; H1022-E1029 PolarHBondContact CE1-OE2 3.48Å; H1022-E1029 IonicContact ND1-OE2 3.28Å; H1022-E1029 PolarHBondContact ND1-OE2 2.97Å; P1025-E1029 VanDerWaalsContact CA-OE2 3.25Å; P1025-E1029 WeakPolarHBondContact CA-OE2 3.36Å; P1025-E1029 HydrophobicContact CB-CB 3.75Å; P1025-E1029 WeakPolarHBondContact CB-OE2 3.38Å; S1026-E1029 WeakPolarHBondContact CB-OE1 3.32Å; S1026-E1029 VanDerWaalsContact N-CD 3.34Å; S1026-E1029 PolarHBondContact N-OE1 3.08Å; S1026-E1029 PolarHBondContact O-N 3.44Å; S1026-E1029 WeakPolarHBondContact OG-CG 3.25Å; S1026-E1029 PolarHBondContact OG-N 3.42Å; S1026-E1029 PolarHBondContact OG-OE1 3.39Å; E1029-D1031 VanDerWaalsContact C-N 3.32Å; E1029-D1031 PolarHBondContact O-N 3.09Å; E1029-L1033 VanDerWaalsContact O-CB 3.31Å; E1029-L1033 WeakPolarHBondContact O-CB 3.41Å; E1029-L1033 PolarHBondContact O-N 3.14Å; E1029-F1137 HydrophobicContact CB-CD1 3.63Å; E1029-F1137 HydrophobicContact CB-CD2 4.09Å; E1029-F1137 HydrophobicContact CB-CE1 3.68Å; E1029-F1137 HydrophobicContact CB-CE2 4.16Å; E1029-F1137 HydrophobicContact CB-CG 3.83Å; E1029-F1137 HydrophobicContact CB-CZ 3.95Å; E1029-F1137 HydrophobicContact CG-CB 4.11Å; E1029-F1137 HydrophobicContact CG-CD1 4.01Å; E1029-F1137 HydrophobicContact CG-CD2 3.65Å; E1029-F1137 HydrophobicContact CG-CE1 4.34Å; E1029-F1137 HydrophobicContact CG-CE2 4.03Å; E1029-F1137 HydrophobicContact CG-CG 3.65Å; E1029-F1137 HydrophobicContact CG-CZ 4.34Å; E1029-F1137 WeakPolarHBondContact O-CD1 3.45Å; E1029-F1137 WeakPolarHBondContact OE2-CE2 3.42Å
1030	C	96.9	Very high	94.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-68.9	-26.8	173.3	-66.1	0	0	0	0	113.2	S1026 V1027 H1028 G1034 R1041 V1044 Q1045	S1026-C1030 PolarHBondContact O-N 2.8Å; S1026-C1030 PolarHBondContact O-SG 2.8Å; V1027-C1030 WeakPolarHBondContact O-CB 3.22Å; V1027-C1030 PolarHBondContact O-N 3.47Å; H1028-C1030 VanDerWaalsContact C-N 3.33Å; C1030-G1034 PolarHBondContact O-N 3.17Å; C1030-R1041 HydrophobicContact CB-CG 3.76Å; C1030-V1044 HydrophobicContact CB-CG1 4.27Å; C1030-Q1045 HydrophobicContact CB-CB 4.46Å
1031	D	96.6	Very high	95.2	Very high	37 Å²	37	55.6 Å²	55.6	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-59.9	168.6	-73.7	-52.6	0	0	0	110.3	V1027 H1028 E1029 L1033 G1034 E1035 R1041	V1027-D1031 PolarHBondContact O-N 3.47Å; H1028-D1031 WeakPolarHBondContact O-CB 3.43Å; H1028-D1031 PolarHBondContact O-N 2.76Å; E1029-D1031 VanDerWaalsContact C-N 3.32Å; E1029-D1031 PolarHBondContact O-N 3.09Å; D1031-L1033 VanDerWaalsContact C-N 3.34Å; D1031-L1033 PolarHBondContact O-N 3.35Å; D1031-G1034 CarbonylContact O-C 3.5Å; D1031-G1034 WeakPolarHBondContact O-CA 3.42Å; D1031-G1034 PolarHBondContact O-N 3.42Å; D1031-E1035 PolarHBondContact O-N 3.34Å; D1031-R1041 VanDerWaalsContact OD1-CB 3.23Å; D1031-R1041 WeakPolarHBondContact OD1-CB 3.44Å; D1031-R1041 WeakPolarHBondContact OD1-CD 3.37Å; D1031-R1041 IonicContact OD1-CZ 2.68Å; D1031-R1041 IonicContact OD1-NE 3.29Å; D1031-R1041 IonicContact OD1-NH1 2.76Å; D1031-R1041 PolarHBondContact OD1-NH1 2.66Å; D1031-R1041 WeakPolarHBondContact OD2-CD 3.3Å; D1031-R1041 IonicContact OD2-NH1 2.72Å
1032	R	96.1	Very high	95.5	Very high	85 Å²	85	59.7 Å²	59.7	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-56.9	-42.6	-176.2	-65.4	-165	-59.8	-99	15.5	113.3	H1028 M1036 D1134 F1137 L1142	H1028-R1032 WeakPolarHBondContact O-CG 3.21Å; H1028-R1032 PolarHBondContact O-N 3.29Å; R1032-M1036 PolarHBondContact O-N 3.45Å; R1032-D1134 IonicContact NH2-OD1 2.65Å; R1032-F1137 PolarHBondContact NE-O 3.03Å; R1032-L1142 HydrophobicContact CB-CD1 4.26Å
1033	L	96.9	Very high	95.7	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-36.5	175.2	177.3	58.4	0	0	0	111.8	M1015 I1018 E1029 D1031 M1036 I1037 V1044 F1048 F1137 L1142	M1015-L1033 HydrophobicContact CG-CD2 4.18Å; I1018-L1033 HydrophobicContact CB-CD2 4.45Å; I1018-L1033 HydrophobicContact CG1-CD1 4.37Å; I1018-L1033 HydrophobicContact CG1-CD2 4.34Å; I1018-L1033 HydrophobicContact CG2-CD2 4.28Å; E1029-L1033 VanDerWaalsContact O-CB 3.31Å; E1029-L1033 WeakPolarHBondContact O-CB 3.41Å; E1029-L1033 PolarHBondContact O-N 3.14Å; D1031-L1033 VanDerWaalsContact C-N 3.34Å; D1031-L1033 PolarHBondContact O-N 3.35Å; L1033-M1036 PolarHBondContact O-N 2.69Å; L1033-I1037 HydrophobicContact CD1-CD1 4.28Å; L1033-I1037 HydrophobicContact CD1-CG2 4.09Å; L1033-I1037 HydrophobicContact CG-CD1 4.26Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.43Å; L1033-I1037 PolarHBondContact O-N 3.01Å; L1033-V1044 HydrophobicContact CD2-CG1 3.94Å; L1033-V1044 HydrophobicContact CG-CG1 4.26Å; L1033-F1048 HydrophobicContact CD2-CE2 3.74Å; L1033-F1048 HydrophobicContact CD2-CZ 4.04Å; L1033-F1137 HydrophobicContact CB-CD1 4.15Å; L1033-F1137 HydrophobicContact CB-CE1 3.99Å; L1033-F1137 HydrophobicContact CD2-CE1 4.01Å; L1033-L1142 HydrophobicContact CD1-CD2 3.82Å
1034	G	96.7	Very high	95.8	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-44.7	178.1	0	0	0	0	0	113.4	C1030 D1031 M1036 I1037 G1038 L1039	C1030-G1034 PolarHBondContact O-N 3.17Å; D1031-G1034 CarbonylContact O-C 3.5Å; D1031-G1034 WeakPolarHBondContact O-CA 3.42Å; D1031-G1034 PolarHBondContact O-N 3.42Å; G1034-M1036 VanDerWaalsContact C-N 3.34Å; G1034-M1036 PolarHBondContact O-N 3.04Å; G1034-I1037 PolarHBondContact O-N 3.45Å; G1034-G1038 PolarHBondContact O-N 3.36Å; G1034-L1039 CarbonylContact C-O 3.57Å; G1034-L1039 WeakPolarHBondContact CA-O 3.45Å; G1034-L1039 PolarHBondContact O-N 3.43Å; G1034-L1039 VanDerWaalsContact O-O 3.07Å
1035	E	95.4	Very high	95.9	Very high	153 Å²	153	54.6 Å²	54.6	72%	0.715	28%	0.279	S	S	*	.	H	α-helix	trans	-57.3	-45.3	173.9	-71.9	169.3	179.4	0	0	111.5	D1031 I1037	D1031-E1035 PolarHBondContact O-N 3.34Å; E1035-I1037 PolarHBondContact O-N 3.12Å
1036	M	93.7	Very high	95.9	Very high	46 Å²	46	56.3 Å²	56.3	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-38.2	179.8	-167.4	63.7	51.5	0	0	113.6	R1032 L1033 G1034 L1142 K1143 L1146	R1032-M1036 PolarHBondContact O-N 3.45Å; L1033-M1036 PolarHBondContact O-N 2.69Å; G1034-M1036 VanDerWaalsContact C-N 3.34Å; G1034-M1036 PolarHBondContact O-N 3.04Å; M1036-L1142 HydrophobicContact CB-CB 4.29Å; M1036-L1142 HydrophobicContact CE-CB 4Å; M1036-L1142 HydrophobicContact CG-CB 3.92Å; M1036-K1143 HydrophobicContact CE-CG 3.74Å; M1036-K1143 HydrophobicContact SD-CG 3.61Å; M1036-L1146 HydrophobicContact CG-CB 4.49Å; M1036-L1146 HydrophobicContact CG-CD2 4.24Å; M1036-L1146 HydrophobicContact SD-CD2 4.36Å
1037	I	94.8	Very high	96	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-102.8	8.1	-172.1	77.3	-172.3	0	0	0	113.7	Q1011 C1014 M1015 L1033 G1034 E1035 L1039 V1044 L1146	Q1011-I1037 HydrophobicContact CB-CD1 4.44Å; Q1011-I1037 HydrophobicContact CG-CB 4.08Å; Q1011-I1037 HydrophobicContact CG-CG1 4.23Å; Q1011-I1037 WeakPolarHBondContact CG-O 3.43Å; Q1011-I1037 PolarHBondContact NE2-O 3.17Å; C1014-I1037 HydrophobicContact CB-CG2 4.08Å; M1015-I1037 HydrophobicContact CE-CD1 4.21Å; M1015-I1037 HydrophobicContact CG-CD1 3.64Å; M1015-I1037 HydrophobicContact SD-CD1 3.92Å; L1033-I1037 HydrophobicContact CD1-CD1 4.28Å; L1033-I1037 HydrophobicContact CD1-CG2 4.09Å; L1033-I1037 HydrophobicContact CG-CD1 4.26Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.43Å; L1033-I1037 PolarHBondContact O-N 3.01Å; G1034-I1037 PolarHBondContact O-N 3.45Å; E1035-I1037 PolarHBondContact O-N 3.12Å; I1037-L1039 HydrophobicContact CD1-CD1 3.96Å; I1037-L1039 HydrophobicContact CD1-CG 4.45Å; I1037-L1039 HydrophobicContact CG1-CB 4.05Å; I1037-L1039 HydrophobicContact CG1-CD1 4.12Å; I1037-L1039 HydrophobicContact CG1-CG 4.06Å; I1037-V1044 HydrophobicContact CD1-CG2 4.38Å; I1037-L1146 HydrophobicContact CG2-CD1 4.45Å
1038	G	95	Very high	96.1	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	25.3	179	0	0	0	0	0	114.8	G1034	G1034-G1038 PolarHBondContact O-N 3.36Å
1039	L	95.7	Very high	96.1	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	25%	0.25	C	S	.	.			trans	-119.7	131.5	-179.9	-69.5	-178	0	0	0	111.7	T1005 I1007 Q1011 M1015 G1034 I1037 R1041 V1043 V1044	T1005-L1039 HydrophobicContact CG2-CD2 4.08Å; I1007-L1039 HydrophobicContact CG1-CD1 4.28Å; I1007-L1039 HydrophobicContact CG2-CD1 4.28Å; Q1011-L1039 HydrophobicContact CB-CD1 4.04Å; Q1011-L1039 HydrophobicContact CG-CD1 4.06Å; Q1011-L1039 HydrophobicContact CG-CG 4.21Å; M1015-L1039 HydrophobicContact CE-CD1 3.79Å; M1015-L1039 HydrophobicContact SD-CD1 4.42Å; G1034-L1039 CarbonylContact C-O 3.57Å; G1034-L1039 WeakPolarHBondContact CA-O 3.45Å; G1034-L1039 PolarHBondContact O-N 3.43Å; G1034-L1039 VanDerWaalsContact O-O 3.07Å; I1037-L1039 HydrophobicContact CD1-CD1 3.96Å; I1037-L1039 HydrophobicContact CD1-CG 4.45Å; I1037-L1039 HydrophobicContact CG1-CB 4.05Å; I1037-L1039 HydrophobicContact CG1-CD1 4.12Å; I1037-L1039 HydrophobicContact CG1-CG 4.06Å; L1039-R1041 PolarHBondContact O-N 3.47Å; L1039-V1043 HydrophobicContact CD1-CG1 4.18Å; L1039-V1043 HydrophobicContact CD2-CG1 4.25Å; L1039-V1044 HydrophobicContact CB-CG2 3.97Å
1040	S	96	Very high	96.1	Very high	76 Å²	76	54.2 Å²	54.2	53%	0.531	27%	0.272	S	S	.	.			trans	-56.5	142.4	173.4	69.1	0	0	0	0	112	R1042 V1043 V1044	S1040-R1042 PolarHBondContact O-N 2.89Å; S1040-V1043 WeakPolarHBondContact O-CA 3.45Å; S1040-V1043 WeakPolarHBondContact O-CB 3.21Å; S1040-V1043 PolarHBondContact O-N 3.41Å; S1040-V1043 WeakPolarHBondContact OG-CG2 3.5Å; S1040-V1044 PolarHBondContact O-N 3.36Å
1041	R	96	Very high	96	Very high	111 Å²	111	55.7 Å²	55.7	42%	0.419	28%	0.279	S	S	.	.	H	α-helix	trans	-39.1	-44.6	174.9	178.5	-173.9	58.9	-100.9	13.4	113.5	V1027 C1030 D1031 L1039 V1043 V1044 Q1045	V1027-R1041 WeakPolarHBondContact O-CD 3.46Å; C1030-R1041 HydrophobicContact CB-CG 3.76Å; D1031-R1041 VanDerWaalsContact OD1-CB 3.23Å; D1031-R1041 WeakPolarHBondContact OD1-CB 3.44Å; D1031-R1041 WeakPolarHBondContact OD1-CD 3.37Å; D1031-R1041 IonicContact OD1-CZ 2.68Å; D1031-R1041 IonicContact OD1-NE 3.29Å; D1031-R1041 IonicContact OD1-NH1 2.76Å; D1031-R1041 PolarHBondContact OD1-NH1 2.66Å; D1031-R1041 WeakPolarHBondContact OD2-CD 3.3Å; D1031-R1041 IonicContact OD2-NH1 2.72Å; L1039-R1041 PolarHBondContact O-N 3.47Å; R1041-V1043 VanDerWaalsContact C-N 3.31Å; R1041-V1043 PolarHBondContact O-N 3.02Å; R1041-V1044 PolarHBondContact O-N 2.91Å; R1041-Q1045 VanDerWaalsContact O-CB 3.24Å; R1041-Q1045 WeakPolarHBondContact O-CB 3.29Å; R1041-Q1045 PolarHBondContact O-N 3.4Å
1042	R	95.7	Very high	96	Very high	180 Å²	180	58.1 Å²	58.1	68%	0.679	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-34.7	-177.7	-170.9	174.8	-173.8	82.7	3.4	112.5	S1040 V1046	S1040-R1042 PolarHBondContact O-N 2.89Å; R1042-V1046 HydrophobicContact CG-CG2 4.46Å; R1042-V1046 WeakPolarHBondContact O-CB 3.45Å; R1042-V1046 WeakPolarHBondContact O-CG2 3.36Å; R1042-V1046 PolarHBondContact O-N 3.08Å
1043	V	96.5	Very high	95.8	Very high	25 Å²	25	55.9 Å²	55.9	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-45.6	176	176.1	0	0	0	0	110.1	T1005 I1007 L1039 S1040 R1041 V1046 W1047	T1005-V1043 HydrophobicContact CG2-CG1 4.45Å; T1005-V1043 HydrophobicContact CG2-CG2 4.21Å; I1007-V1043 HydrophobicContact CD1-CG1 3.84Å; I1007-V1043 HydrophobicContact CG1-CG1 4.2Å; L1039-V1043 HydrophobicContact CD1-CG1 4.18Å; L1039-V1043 HydrophobicContact CD2-CG1 4.25Å; S1040-V1043 WeakPolarHBondContact O-CA 3.45Å; S1040-V1043 WeakPolarHBondContact O-CB 3.21Å; S1040-V1043 PolarHBondContact O-N 3.41Å; S1040-V1043 WeakPolarHBondContact OG-CG2 3.5Å; R1041-V1043 VanDerWaalsContact C-N 3.31Å; R1041-V1043 PolarHBondContact O-N 3.02Å; V1043-V1046 PolarHBondContact O-N 3.24Å; V1043-W1047 WeakPolarHBondContact O-CB 3.22Å; V1043-W1047 PolarHBondContact O-N 3.04Å
1044	V	96.9	Very high	95.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-53	175.1	-178.9	0	0	0	0	110.8	M1015 C1030 L1033 I1037 L1039 S1040 R1041 V1046 W1047 F1048	M1015-V1044 HydrophobicContact SD-CB 4.5Å; M1015-V1044 HydrophobicContact SD-CG1 4.23Å; M1015-V1044 HydrophobicContact SD-CG2 4.31Å; C1030-V1044 HydrophobicContact CB-CG1 4.27Å; L1033-V1044 HydrophobicContact CD2-CG1 3.94Å; L1033-V1044 HydrophobicContact CG-CG1 4.26Å; I1037-V1044 HydrophobicContact CD1-CG2 4.38Å; L1039-V1044 HydrophobicContact CB-CG2 3.97Å; S1040-V1044 PolarHBondContact O-N 3.36Å; R1041-V1044 PolarHBondContact O-N 2.91Å; V1044-V1046 VanDerWaalsContact C-N 3.3Å; V1044-V1046 PolarHBondContact O-N 3.42Å; V1044-W1047 WeakPolarHBondContact O-CA 3.37Å; V1044-W1047 WeakPolarHBondContact O-CB 3.47Å; V1044-W1047 PolarHBondContact O-N 2.84Å; V1044-F1048 HydrophobicContact CG1-CD2 3.87Å; V1044-F1048 HydrophobicContact CG1-CE2 3.87Å; V1044-F1048 WeakPolarHBondContact O-CD2 3.45Å; V1044-F1048 PolarHBondContact O-N 2.89Å
1045	Q	96.5	Very high	95.1	Very high	60 Å²	60	64.8 Å²	64.8	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-56.1	-42.3	178.1	-169.6	-171.1	39.3	0	0	112.2	C1030 R1041 Q1049	C1030-Q1045 HydrophobicContact CB-CB 4.46Å; R1041-Q1045 VanDerWaalsContact O-CB 3.24Å; R1041-Q1045 WeakPolarHBondContact O-CB 3.29Å; R1041-Q1045 PolarHBondContact O-N 3.4Å; Q1045-Q1049 WeakPolarHBondContact O-CB 3.39Å; Q1045-Q1049 VanDerWaalsContact O-CG 3.25Å; Q1045-Q1049 WeakPolarHBondContact O-CG 3.47Å; Q1045-Q1049 PolarHBondContact O-N 3.15Å
1046	V	96.1	Very high	94.8	Very high	54 Å²	54	64.2 Å²	64.2	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-71.6	-32.5	176.2	167	0	0	0	0	112	R1042 V1043 V1044 N1050	R1042-V1046 HydrophobicContact CG-CG2 4.46Å; R1042-V1046 WeakPolarHBondContact O-CB 3.45Å; R1042-V1046 WeakPolarHBondContact O-CG2 3.36Å; R1042-V1046 PolarHBondContact O-N 3.08Å; V1043-V1046 PolarHBondContact O-N 3.24Å; V1044-V1046 VanDerWaalsContact C-N 3.3Å; V1044-V1046 PolarHBondContact O-N 3.42Å; V1046-N1050 VanDerWaalsContact CG1-ND2 3.32Å; V1046-N1050 WeakPolarHBondContact CG1-ND2 3.33Å; V1046-N1050 WeakPolarHBondContact O-CB 3.27Å; V1046-N1050 VanDerWaalsContact O-CG 3.25Å; V1046-N1050 PolarHBondContact O-N 3.18Å; V1046-N1050 PolarHBondContact O-ND2 2.96Å
1047	W	97.4	Very high	94.3	Very high	25 Å²	25	68 Å²	68	10%	0.095	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-50	172.2	-176.1	104.7	0	0	0	110.3	S1012 M1015 H1016 Y1019 V1043 V1044 Q1049 N1050 Q1051	S1012-W1047 PolarHBondContact OG-NE1 3.29Å; M1015-W1047 VanDerWaalsContact C-CH2 3.41Å; M1015-W1047 HydrophobicContact CB-CD2 3.92Å; M1015-W1047 HydrophobicContact CB-CE3 3.78Å; M1015-W1047 HydrophobicContact CB-CH2 3.64Å; M1015-W1047 HydrophobicContact CB-CZ2 3.7Å; M1015-W1047 HydrophobicContact CB-CZ3 3.67Å; M1015-W1047 HydrophobicContact CE-CB 4.4Å; M1015-W1047 HydrophobicContact CE-CD2 4.07Å; M1015-W1047 HydrophobicContact CE-CG 3.8Å; M1015-W1047 HydrophobicContact CG-CD2 4.45Å; M1015-W1047 HydrophobicContact CG-CE3 4.43Å; M1015-W1047 WeakPolarHBondContact O-CH2 3.49Å; M1015-W1047 HydrophobicContact SD-CB 3.96Å; M1015-W1047 HydrophobicContact SD-CD2 3.77Å; M1015-W1047 HydrophobicContact SD-CE3 4.09Å; M1015-W1047 HydrophobicContact SD-CG 3.7Å; H1016-W1047 HydrophobicContact CB-CH2 4.48Å; H1016-W1047 AromaticContact CD2-CZ2 3.91Å; H1016-W1047 AromaticContact CE1-CH2 3.8Å; H1016-W1047 AromaticContact CE1-CZ2 3.44Å; H1016-W1047 VanDerWaalsContact CE1-CZ2 3.44Å; H1016-W1047 WeakPolarHBondContact CE1-CZ2 3.4Å; H1016-W1047 AromaticContact CG-CH2 3.92Å; H1016-W1047 AromaticContact CG-CZ2 3.8Å; H1016-W1047 AromaticContact ND1-CH2 3.48Å; H1016-W1047 WeakPolarHBondContact ND1-CH2 3.17Å; H1016-W1047 AromaticContact ND1-CZ2 3.54Å; H1016-W1047 AromaticContact NE2-CZ2 3.68Å; Y1019-W1047 AromaticContact CD2-CZ3 3.98Å; Y1019-W1047 HydrophobicContact CD2-CZ3 3.98Å; Y1019-W1047 HydrophobicContact CG-CH2 4.46Å; Y1019-W1047 HydrophobicContact CG-CZ3 4.29Å; V1043-W1047 WeakPolarHBondContact O-CB 3.22Å; V1043-W1047 PolarHBondContact O-N 3.04Å; V1044-W1047 WeakPolarHBondContact O-CA 3.37Å; V1044-W1047 WeakPolarHBondContact O-CB 3.47Å; V1044-W1047 PolarHBondContact O-N 2.84Å; W1047-Q1049 VanDerWaalsContact C-N 3.35Å; W1047-Q1049 PolarHBondContact O-N 2.97Å; W1047-N1050 PolarHBondContact O-N 3.46Å; W1047-N1050 VanDerWaalsContact O-N 3.09Å; W1047-Q1051 HydrophobicContact CE3-CB 4.3Å; W1047-Q1051 HydrophobicContact CH2-CB 4.33Å; W1047-Q1051 HydrophobicContact CH2-CG 4.1Å; W1047-Q1051 HydrophobicContact CZ3-CB 4.08Å; W1047-Q1051 HydrophobicContact CZ3-CG 4.2Å; W1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; W1047-Q1051 PolarHBondContact O-N 3.32Å
1048	F	97.7	Very high	93.6	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.009	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-39.3	178	-85.8	-94.8	0	0	0	112.2	M1015 I1018 Y1019 P1025 L1033 V1044 Q1051 R1052	M1015-F1048 HydrophobicContact CB-CE2 4.3Å; M1015-F1048 HydrophobicContact CG-CE2 4.26Å; I1018-F1048 HydrophobicContact CB-CZ 4.23Å; I1018-F1048 HydrophobicContact CG2-CE1 4.24Å; I1018-F1048 HydrophobicContact CG2-CZ 3.76Å; Y1019-F1048 AromaticContact CD2-CD1 3.62Å; Y1019-F1048 HydrophobicContact CD2-CD1 3.62Å; Y1019-F1048 AromaticContact CD2-CE1 3.78Å; Y1019-F1048 HydrophobicContact CD2-CE1 3.78Å; Y1019-F1048 HydrophobicContact CE2-CD1 4.28Å; Y1019-F1048 HydrophobicContact CG-CE1 4.4Å; P1025-F1048 HydrophobicContact CG-CB 4.31Å; P1025-F1048 HydrophobicContact CG-CD1 3.48Å; P1025-F1048 VanDerWaalsContact CG-CD1 3.48Å; P1025-F1048 HydrophobicContact CG-CD2 3.96Å; P1025-F1048 HydrophobicContact CG-CE1 3.69Å; P1025-F1048 HydrophobicContact CG-CE2 4.17Å; P1025-F1048 HydrophobicContact CG-CG 3.64Å; P1025-F1048 HydrophobicContact CG-CZ 4.05Å; L1033-F1048 HydrophobicContact CD2-CE2 3.74Å; L1033-F1048 HydrophobicContact CD2-CZ 4.04Å; V1044-F1048 HydrophobicContact CG1-CD2 3.87Å; V1044-F1048 HydrophobicContact CG1-CE2 3.87Å; V1044-F1048 WeakPolarHBondContact O-CD2 3.45Å; V1044-F1048 PolarHBondContact O-N 2.89Å; F1048-Q1051 PolarHBondContact O-N 3.34Å; F1048-R1052 WeakPolarHBondContact O-CG 3.32Å; F1048-R1052 PolarHBondContact O-N 2.87Å
1049	Q	95.5	Very high	92.9	Very high	92 Å²	92	72 Å²	72	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-43.9	171.8	-73.5	172.6	13	0	0	112.5	Q1045 W1047 A1053	Q1045-Q1049 WeakPolarHBondContact O-CB 3.39Å; Q1045-Q1049 VanDerWaalsContact O-CG 3.25Å; Q1045-Q1049 WeakPolarHBondContact O-CG 3.47Å; Q1045-Q1049 PolarHBondContact O-N 3.15Å; W1047-Q1049 VanDerWaalsContact C-N 3.35Å; W1047-Q1049 PolarHBondContact O-N 2.97Å; Q1049-A1053 VanDerWaalsContact O-CB 3.24Å; Q1049-A1053 WeakPolarHBondContact O-CB 3.31Å; Q1049-A1053 PolarHBondContact O-N 3.49Å
1050	N	95.6	Very high	92	Very high	104 Å²	104	79.8 Å²	79.8	56%	0.556	38%	0.376	S	S	*	.	H	α-helix	trans	-66.4	-36.8	177.6	-78.4	-48.7	0	0	0	112.3	V1046 W1047 A1053 K1054	V1046-N1050 VanDerWaalsContact CG1-ND2 3.32Å; V1046-N1050 WeakPolarHBondContact CG1-ND2 3.33Å; V1046-N1050 WeakPolarHBondContact O-CB 3.27Å; V1046-N1050 VanDerWaalsContact O-CG 3.25Å; V1046-N1050 PolarHBondContact O-N 3.18Å; V1046-N1050 PolarHBondContact O-ND2 2.96Å; W1047-N1050 PolarHBondContact O-N 3.46Å; W1047-N1050 VanDerWaalsContact O-N 3.09Å; N1050-A1053 CarbonylContact O-C 3.5Å; N1050-A1053 VanDerWaalsContact O-C 3.31Å; N1050-A1053 PolarHBondContact O-N 3.35Å; N1050-K1054 PolarHBondContact O-N 2.95Å
1051	Q	95.4	Very high	90.8	Very high	34 Å²	34	80.7 Å²	80.7	16%	0.159	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-45.6	178.8	-176.9	64.6	-0.8	0	0	111.1	H1016 Y1019 W1047 F1048 A1053 K1054 E1055	H1016-Q1051 PolarHBondContact CE1-NE2 3.34Å; Y1019-Q1051 HydrophobicContact CD1-CG 3.89Å; Y1019-Q1051 HydrophobicContact CD2-CB 4.1Å; Y1019-Q1051 HydrophobicContact CD2-CG 3.59Å; Y1019-Q1051 HydrophobicContact CE1-CG 3.71Å; Y1019-Q1051 HydrophobicContact CE2-CB 3.78Å; Y1019-Q1051 HydrophobicContact CE2-CG 3.4Å; Y1019-Q1051 VanDerWaalsContact CE2-CG 3.4Å; Y1019-Q1051 HydrophobicContact CG-CG 3.85Å; Y1019-Q1051 VanDerWaalsContact CZ-CG 3.48Å; W1047-Q1051 HydrophobicContact CE3-CB 4.3Å; W1047-Q1051 HydrophobicContact CH2-CB 4.33Å; W1047-Q1051 HydrophobicContact CH2-CG 4.1Å; W1047-Q1051 HydrophobicContact CZ3-CB 4.08Å; W1047-Q1051 HydrophobicContact CZ3-CG 4.2Å; W1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; W1047-Q1051 PolarHBondContact O-N 3.32Å; F1048-Q1051 PolarHBondContact O-N 3.34Å; Q1051-A1053 PolarHBondContact O-N 2.84Å; Q1051-K1054 WeakPolarHBondContact O-CA 3.33Å; Q1051-K1054 WeakPolarHBondContact O-CB 3.42Å; Q1051-K1054 PolarHBondContact O-N 2.78Å; Q1051-E1055 PolarHBondContact O-N 3.43Å
1052	R	96.2	Very high	89.5	Confident	88 Å²	88	78 Å²	78	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-57.3	-37.6	168.5	-69.2	-166.1	-62.1	-87.6	7.8	112	Y1019 K1023 F1048 K1054 K1056	Y1019-R1052 HydrophobicContact CE2-CG 3.88Å; Y1019-R1052 WeakPolarHBondContact OH-CA 3.27Å; Y1019-R1052 WeakPolarHBondContact OH-CG 3.15Å; Y1019-R1052 PolarHBondContact OH-N 2.84Å; K1023-R1052 WeakPolarHBondContact O-CD 3.47Å; K1023-R1052 PolarHBondContact O-NH1 2.91Å; F1048-R1052 WeakPolarHBondContact O-CG 3.32Å; F1048-R1052 PolarHBondContact O-N 2.87Å; R1052-K1054 VanDerWaalsContact C-N 3.32Å; R1052-K1054 PolarHBondContact O-N 2.58Å; R1052-K1056 WeakPolarHBondContact O-CB 3.31Å; R1052-K1056 PolarHBondContact O-N 2.66Å
1053	A	91.8	Very high	87.7	Confident	37 Å²	37	72.5 Å²	72.5	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-79.1	-5.6	175.4	0	0	0	0	0	114.8	Q1049 N1050 Q1051 K1057	Q1049-A1053 VanDerWaalsContact O-CB 3.24Å; Q1049-A1053 WeakPolarHBondContact O-CB 3.31Å; Q1049-A1053 PolarHBondContact O-N 3.49Å; N1050-A1053 CarbonylContact O-C 3.5Å; N1050-A1053 VanDerWaalsContact O-C 3.31Å; N1050-A1053 PolarHBondContact O-N 3.35Å; Q1051-A1053 PolarHBondContact O-N 2.84Å; A1053-K1057 WeakPolarHBondContact O-CD 3.33Å; A1053-K1057 WeakPolarHBondContact O-CE 3.4Å; A1053-K1057 WeakPolarHBondContact O-CG 3.4Å; A1053-K1057 PolarHBondContact O-NZ 2.75Å
1054	K	89.5	Confident	85.3	Confident	112 Å²	112	74.1 Å²	74.1	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-88.7	-51.7	167.3	-176.1	-171.2	177.5	-171.3	0	108.5	N1050 Q1051 R1052 K1056 K1057 M1058	N1050-K1054 PolarHBondContact O-N 2.95Å; Q1051-K1054 WeakPolarHBondContact O-CA 3.33Å; Q1051-K1054 WeakPolarHBondContact O-CB 3.42Å; Q1051-K1054 PolarHBondContact O-N 2.78Å; R1052-K1054 VanDerWaalsContact C-N 3.32Å; R1052-K1054 PolarHBondContact O-N 2.58Å; K1054-K1056 PolarHBondContact O-N 3.39Å; K1054-K1057 WeakPolarHBondContact O-CA 3.41Å; K1054-K1057 WeakPolarHBondContact O-CB 3.27Å; K1054-K1057 PolarHBondContact O-N 3.13Å; K1054-M1058 HydrophobicContact CG-CE 4.43Å; K1054-M1058 PolarHBondContact O-N 2.92Å
1055	E	89.3	Confident	82.8	Confident	78 Å²	78	82 Å²	82	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-54.7	-51.1	177	-171.2	175	174.5	0	0	111.8	Y1019 K1023 Q1051 K1057 M1058 A1059	Y1019-E1055 VanDerWaalsContact CE1-OE2 3.32Å; Y1019-E1055 WeakPolarHBondContact CE1-OE2 3.4Å; Y1019-E1055 PolarHBondContact OH-OE2 3.24Å; K1023-E1055 IonicContact NZ-OE1 2.62Å; K1023-E1055 PolarHBondContact NZ-OE1 3.34Å; K1023-E1055 IonicContact NZ-OE2 3.88Å; Q1051-E1055 PolarHBondContact O-N 3.43Å; E1055-K1057 PolarHBondContact O-N 3.44Å; E1055-M1058 PolarHBondContact O-N 3.18Å; E1055-M1058 VanDerWaalsContact O-N 3.12Å; E1055-A1059 PolarHBondContact O-N 3.18Å
1056	K	89.1	Confident	79.8	Confident	142 Å²	142	85.8 Å²	85.8	62%	0.617	44%	0.437	S	S	*	.	H	α-helix	trans	-64	-12.3	176.4	-170.1	164.5	-174.3	167.7	0	114.4	R1052 K1054 R1060	R1052-K1056 WeakPolarHBondContact O-CB 3.31Å; R1052-K1056 PolarHBondContact O-N 2.66Å; K1054-K1056 PolarHBondContact O-N 3.39Å; K1056-R1060 VanDerWaalsContact O-CD 3.32Å; K1056-R1060 WeakPolarHBondContact O-CD 2.91Å; K1056-R1060 WeakPolarHBondContact O-CG 3.38Å
1057	K	83.8	Confident	76.7	Confident	125 Å²	125	89.9 Å²	89.9	54%	0.543	46%	0.457	S	S	.	.	H	α-helix	trans	-90.9	-44.5	170.3	-70.8	173.2	-168	130.1	0	111.4	A1053 K1054 E1055 A1059 R1060 V1061	A1053-K1057 WeakPolarHBondContact O-CD 3.33Å; A1053-K1057 WeakPolarHBondContact O-CE 3.4Å; A1053-K1057 WeakPolarHBondContact O-CG 3.4Å; A1053-K1057 PolarHBondContact O-NZ 2.75Å; K1054-K1057 WeakPolarHBondContact O-CA 3.41Å; K1054-K1057 WeakPolarHBondContact O-CB 3.27Å; K1054-K1057 PolarHBondContact O-N 3.13Å; E1055-K1057 PolarHBondContact O-N 3.44Å; K1057-A1059 PolarHBondContact O-N 3.14Å; K1057-R1060 PolarHBondContact O-N 3.27Å; K1057-V1061 PolarHBondContact O-N 3.08Å; K1057-V1061 VanDerWaalsContact O-N 3.17Å
1058	M	80	Confident	73.7	Confident	101 Å²	101	94.2 Å²	94.2	50%	0.498	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178.2	-57.7	-38.5	-155.5	0	0	111.1	K1054 E1055 R1060 V1061 S1062	K1054-M1058 HydrophobicContact CG-CE 4.43Å; K1054-M1058 PolarHBondContact O-N 2.92Å; E1055-M1058 PolarHBondContact O-N 3.18Å; E1055-M1058 VanDerWaalsContact O-N 3.12Å; M1058-R1060 PolarHBondContact O-N 3.34Å; M1058-V1061 WeakPolarHBondContact O-CA 3.23Å; M1058-V1061 PolarHBondContact O-N 3.21Å; M1058-S1062 PolarHBondContact O-N 3.35Å; M1058-S1062 PolarHBondContact O-OG 3.33Å
1059	A	80	Confident	70.6	Confident	54 Å²	54	99.2 Å²	99.2	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-54.2	-39.5	175	0	0	0	0	0	113	E1055 K1057 V1061 S1063	E1055-A1059 PolarHBondContact O-N 3.18Å; K1057-A1059 PolarHBondContact O-N 3.14Å; A1059-V1061 VanDerWaalsContact C-N 3.35Å; A1059-S1063 WeakPolarHBondContact O-CB 3.26Å; A1059-S1063 PolarHBondContact O-N 3.39Å; A1059-S1063 PolarHBondContact O-OG 3.35Å; A1059-S1063 VanDerWaalsContact O-OG 3.13Å
1060	R	76.7	Confident	67.8	Low	175 Å²	175	101 Å²	101	66%	0.66	53%	0.533	S	S	*	.	H	α-helix	trans	-71.5	-25.6	175.9	-70.1	171.9	172.7	-179.9	-6.5	113.9	K1056 K1057 M1058 G1064	K1056-R1060 VanDerWaalsContact O-CD 3.32Å; K1056-R1060 WeakPolarHBondContact O-CD 2.91Å; K1056-R1060 WeakPolarHBondContact O-CG 3.38Å; K1057-R1060 PolarHBondContact O-N 3.27Å; M1058-R1060 PolarHBondContact O-N 3.34Å; R1060-G1064 WeakPolarHBondContact O-CA 3.43Å; R1060-G1064 PolarHBondContact O-N 3.02Å; R1060-G1064 VanDerWaalsContact O-N 3.13Å
1061	V	71.7	Confident	64.8	Low	95 Å²	95	103.5 Å²	103.5	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-78.6	-44.8	175.8	174.3	0	0	0	0	109.6	K1057 M1058 A1059 G1064	K1057-V1061 PolarHBondContact O-N 3.08Å; K1057-V1061 VanDerWaalsContact O-N 3.17Å; M1058-V1061 WeakPolarHBondContact O-CA 3.23Å; M1058-V1061 PolarHBondContact O-N 3.21Å; A1059-V1061 VanDerWaalsContact C-N 3.35Å; V1061-G1064 PolarHBondContact O-N 3.48Å
1062	S	68.1	Low	61.9	Low	56 Å²	56	107.7 Å²	107.7	39%	0.392	58%	0.58	S	S	.	*	H	α-helix	trans	-60.3	-61.6	173.9	-55.8	0	0	0	0	111.3	M1058 G1064 Q1065 Y1066	M1058-S1062 PolarHBondContact O-N 3.35Å; M1058-S1062 PolarHBondContact O-OG 3.33Å; S1062-G1064 PolarHBondContact O-N 2.99Å; S1062-Q1065 PolarHBondContact O-N 2.82Å; S1062-Y1066 WeakPolarHBondContact O-CD1 3.12Å; S1062-Y1066 WeakPolarHBondContact O-CE1 3.27Å
1063	S	58.7	Low	58.9	Low	64 Å²	64	108.4 Å²	108.4	45%	0.448	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-62.6	-14.9	176.9	-54.5	0	0	0	0	113.8	A1059 Q1065 Y1066	A1059-S1063 WeakPolarHBondContact O-CB 3.26Å; A1059-S1063 PolarHBondContact O-N 3.39Å; A1059-S1063 PolarHBondContact O-OG 3.35Å; A1059-S1063 VanDerWaalsContact O-OG 3.13Å; S1063-Q1065 PolarHBondContact O-N 3.39Å; S1063-Y1066 CarbonylContact O-C 3.58Å; S1063-Y1066 PolarHBondContact O-N 2.97Å
1064	G	45.6	Very low	56	Low	58 Å²	58	114.5 Å²	114.5	60%	0.598	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-73.6	-10.8	173.4	0	0	0	0	0	114.4	R1060 V1061 S1062	R1060-G1064 WeakPolarHBondContact O-CA 3.43Å; R1060-G1064 PolarHBondContact O-N 3.02Å; R1060-G1064 VanDerWaalsContact O-N 3.13Å; V1061-G1064 PolarHBondContact O-N 3.48Å; S1062-G1064 PolarHBondContact O-N 2.99Å
1065	Q	44.8	Very low	53.3	Low	165 Å²	165	117.5 Å²	117.5	77%	0.771	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-96.9	-8	175.6	-67	-179.9	-32.1	0	0	113	S1062 S1063	S1062-Q1065 PolarHBondContact O-N 2.82Å; S1063-Q1065 PolarHBondContact O-N 3.39Å
1066	Y	33.7	Very low	50.5	Low	141 Å²	141	120.4 Å²	120.4	55%	0.553	67%	0.668	S	S	*	*	S	Bend	trans	-151.8	82.1	178	47.5	-85.1	0	0	0	110.5	S1062 S1063	S1062-Y1066 WeakPolarHBondContact O-CD1 3.12Å; S1062-Y1066 WeakPolarHBondContact O-CE1 3.27Å; S1063-Y1066 CarbonylContact O-C 3.58Å; S1063-Y1066 PolarHBondContact O-N 2.97Å
1067	N	30.5	Very low	47.7	Very low	140 Å²	140	122.4 Å²	122.4	75%	0.749	68%	0.68	S	S	*	*			trans	164	132.4	149.1	-94.5	-61	0	0	0	111.2
1068	L	33.5	Very low	45.2	Very low	115 Å²	115	126.2 Å²	126.2	60%	0.602	70%	0.697	S	S	*	*			trans	-156.1	114.1	163.4	-129.6	113.2	0	0	0	109.6	R727	R727-L1068 VanDerWaalsContact CZ-CB 3.48Å; R727-L1068 VanDerWaalsContact NH2-CB 3.34Å
1069	S	32.4	Very low	43	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	72%	0.716	S	S	*	*			trans	67.3	153.8	-172.5	-117.8	0	0	0	0	114
1070	V	37.7	Very low	40.6	Very low	131 Å²	131	131.7 Å²	131.7	79%	0.794	73%	0.727	S	S	*	*			cis	-127.9	171	9.6	-79	0	0	0	0	112.9
1071	N	33	Very low	38.6	Very low	155 Å²	155	128.5 Å²	128.5	83%	0.829	73%	0.729	S	S	*	*			trans	-69.3	150.5	167.7	-47.8	-48.8	0	0	0	111.5
1072	S	34	Very low	36.6	Very low	123 Å²	123	131.7 Å²	131.7	86%	0.86	74%	0.741	S	S	*	*				-167	154.5	118.8	-121	0	0	0	0	112.9
1073	S	32.6	Very low	34.8	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	76%	0.756	S	S	*	*			trans	-89.9	161.8	169.2	-63	0	0	0	0	110.6
1074	L	30.5	Very low	33.5	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	78%	0.777	S	S	*	*			trans	63.1	99.2	-177.5	-60.2	103.6	0	0	0	115.4
1075	L	32.8	Very low	32.8	Very low	175 Å²	175	139.5 Å²	139.5	92%	0.916	78%	0.776	S	S	*	*				-159.5	142.5	102	-99.1	175.6	0	0	0	109.8
1076	T	30.6	Very low	32.2	Very low	140 Å²	140	137.1 Å²	137.1	86%	0.859	78%	0.778	S	S	*	*			trans	-105.1	89.8	-178.4	-57	0	0	0	0	109.6
1077	E	30.5	Very low	31.9	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	78%	0.781	S	S	*	*			trans	-148.4	96.8	167.3	-134.9	162.9	-147.9	0	0	115.4	L1079	E1077-L1079 PolarHBondContact O-N 3.02Å
1078	K	32.9	Very low	32.3	Very low	206 Å²	206	133.6 Å²	133.6	90%	0.896	77%	0.774	S	S	*	*			trans	1.9	93.1	146.4	-172.3	-171	179.7	-176.1	0	117.5
1079	L	32.9	Very low	32.5	Very low	173 Å²	173	133.7 Å²	133.7	91%	0.906	77%	0.774	S	S	*	*			trans	-148	145.2	153.9	-101.6	149.5	0	0	0	109.7	E1077	E1077-L1079 PolarHBondContact O-N 3.02Å
1080	S	29.1	Very low	33.5	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	77%	0.772	S	S	*	*			trans	-101.1	131.8	-161	51.9	0	0	0	0	114.4
1081	P	34.8	Very low	34.3	Very low	108 Å²	108	130.4 Å²	130.4	70%	0.701	75%	0.752	S	S	*	*			trans	-65.3	135.3	161	-15.6	30.4	0	0	0	110.7	D1083	P1081-D1083 PolarHBondContact O-N 2.99Å
1082	I	30.7	Very low	35.8	Very low	162 Å²	162	127.2 Å²	127.2	83%	0.831	73%	0.731	S	S	*	*			trans	-88.7	82.5	170.7	-59	174	0	0	0	107.1	S1084	I1082-S1084 PolarHBondContact O-N 2.82Å
1083	D	30.5	Very low	38	Very low	132 Å²	132	121.8 Å²	121.8	71%	0.706	69%	0.693	S	S	*	*			trans	-70.6	126.8	176.7	-90.8	-36.7	0	0	0	110.5	P1081 S1085	P1081-D1083 PolarHBondContact O-N 2.99Å; D1083-S1085 PolarHBondContact O-N 3.23Å
1084	S	29.9	Very low	39.9	Very low	128 Å²	128	121.9 Å²	121.9	90%	0.895	68%	0.682	S	S	*	*			trans	-74.3	71	179.8	-63.2	0	0	0	0	111.1	I1082 S1086	I1082-S1084 PolarHBondContact O-N 2.82Å; S1084-S1086 PolarHBondContact O-N 3.39Å
1085	S	31.8	Very low	42.2	Very low	82 Å²	82	115.7 Å²	115.7	57%	0.573	65%	0.649	S	S	*	*			trans	-86.5	109.3	179.7	53.7	0	0	0	0	111.3	D1083 C1087	D1083-S1085 PolarHBondContact O-N 3.23Å; S1085-C1087 PolarHBondContact O-N 3.06Å
1086	S	31.6	Very low	44.4	Very low	116 Å²	116	107.6 Å²	107.6	81%	0.811	61%	0.607	S	S	*	*			trans	-70.3	65.9	152.2	59.6	0	0	0	0	109	S1084 I1088	S1084-S1086 PolarHBondContact O-N 3.39Å; S1086-I1088 VanDerWaalsContact C-N 3.26Å; S1086-I1088 PolarHBondContact O-N 2.93Å
1087	C	27.6	Very low	46.4	Very low	93 Å²	93	104.8 Å²	104.8	63%	0.628	59%	0.593	S	S	*	*			trans	-72.5	83	176.9	53.2	0	0	0	0	109.1	S1085 D1089	S1085-C1087 PolarHBondContact O-N 3.06Å; C1087-D1089 PolarHBondContact O-N 3.05Å; C1087-D1089 VanDerWaalsContact O-N 3.14Å
1088	I	38.9	Very low	48	Very low	114 Å²	114	97.5 Å²	97.5	59%	0.585	56%	0.56	S	S	*	*			trans	-52.4	119.8	157	-58.6	170.8	0	0	0	105.6	S1086 S1090	S1086-I1088 VanDerWaalsContact C-N 3.26Å; S1086-I1088 PolarHBondContact O-N 2.93Å; I1088-S1090 PolarHBondContact O-N 3.34Å
1089	D	37.4	Very low	49.1	Very low	116 Å²	116	90.3 Å²	90.3	62%	0.62	54%	0.536	S	S	*	.			trans	-48.2	128.7	-166.3	-80.5	-68.6	0	0	0	112.2	C1087 N1091 F1092	C1087-D1089 PolarHBondContact O-N 3.05Å; C1087-D1089 VanDerWaalsContact O-N 3.14Å; D1089-N1091 HydrophobicContact CB-CB 4.4Å; D1089-N1091 PolarHBondContact O-N 3Å; D1089-F1092 PolarHBondContact O-N 3.2Å
1090	S	53.1	Low	49.9	Very low	99 Å²	99	83.1 Å²	83.1	69%	0.692	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	12.2	176.2	61.1	0	0	0	0	113.8	I1088 I1100	I1088-S1090 PolarHBondContact O-N 3.34Å; S1090-I1100 WeakPolarHBondContact O-CD1 3.33Å
1091	N	54.9	Low	50.6	Low	71 Å²	71	86.3 Å²	86.3	38%	0.38	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	8.1	-163.4	-59.5	-15.3	0	0	0	112	D1089 S1099 I1100	D1089-N1091 HydrophobicContact CB-CB 4.4Å; D1089-N1091 PolarHBondContact O-N 3Å; N1091-S1099 CarbonylContact O-C 3.59Å; N1091-S1099 WeakPolarHBondContact O-CA 3.21Å; N1091-S1099 WeakPolarHBondContact O-CB 3.41Å; N1091-I1100 WeakPolarHBondContact CB-O 3.38Å; N1091-I1100 PolarHBondContact O-N 3.38Å
1092	F	65.8	Low	50.9	Low	88 Å²	88	90.6 Å²	90.6	39%	0.386	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	127.1	178.7	-173.7	-113.2	0	0	0	113.7	D1089 Q1094 S1097 I1098	D1089-F1092 PolarHBondContact O-N 3.2Å; F1092-Q1094 HydrophobicContact CD1-CB 4.49Å; F1092-Q1094 HydrophobicContact CD1-CG 3.79Å; F1092-Q1094 HydrophobicContact CE1-CB 4.44Å; F1092-Q1094 HydrophobicContact CE1-CG 4.05Å; F1092-Q1094 PolarHBondContact O-N 2.82Å; F1092-S1097 VanDerWaalsContact CE2-C 3.49Å; F1092-I1098 CarbonylContact C-O 3.59Å; F1092-I1098 WeakPolarHBondContact CA-O 3.42Å
1093	C	79.2	Confident	51.2	Low	8 Å²	8	86.3 Å²	86.3	5%	0.054	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	98.2	171	-178.7	0	0	0	0	110.2	I1095 C1096 S1097 I1098 H1135 H1141	C1093-I1095 VanDerWaalsContact C-N 3.28Å; C1093-I1095 PolarHBondContact O-N 3.16Å; C1093-C1096 HydrophobicContact CB-CB 4.49Å; C1093-C1096 PolarHBondContact O-N 3.49Å; C1093-C1096 VanDerWaalsContact O-N 3.15Å; C1093-S1097 WeakPolarHBondContact O-CA 3.17Å; C1093-S1097 PolarHBondContact O-N 3.38Å; C1093-I1098 PolarHBondContact N-O 2.7Å; C1093-I1098 PolarHBondContact O-N 3.44Å; C1093-H1135 PolarHBondContact SG-NE2 3.49Å; C1093-H1141 VanDerWaalsContact SG-CE1 3.5Å; C1093-H1141 PolarHBondContact SG-ND1 3.22Å; C1093-H1141 VanDerWaalsContact SG-ND1 3.43Å
1094	Q	72.1	Confident	51.4	Low	105 Å²	105	88.4 Å²	88.4	49%	0.491	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35	-175.5	-68.8	172	-33.7	0	0	114	F1092	F1092-Q1094 HydrophobicContact CD1-CB 4.49Å; F1092-Q1094 HydrophobicContact CD1-CG 3.79Å; F1092-Q1094 HydrophobicContact CE1-CB 4.44Å; F1092-Q1094 HydrophobicContact CE1-CG 4.05Å; F1092-Q1094 PolarHBondContact O-N 2.82Å
1095	I	79.6	Confident	51.6	Low	35 Å²	35	89.1 Å²	89.1	18%	0.179	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.7	-179.1	-65.7	173.4	0	0	0	112.3	C1093 K1144 L1145 W1148	C1093-I1095 VanDerWaalsContact C-N 3.28Å; C1093-I1095 PolarHBondContact O-N 3.16Å; I1095-K1144 HydrophobicContact CG2-CB 3.63Å; I1095-K1144 WeakPolarHBondContact O-CD 3.46Å; I1095-L1145 HydrophobicContact CD1-CB 4.25Å; I1095-L1145 HydrophobicContact CD1-CD1 3.62Å; I1095-L1145 HydrophobicContact CD1-CG 4.49Å; I1095-L1145 HydrophobicContact CG2-CB 4.49Å; I1095-W1148 HydrophobicContact CD1-CE3 4.39Å
1096	C	79	Confident	51.8	Low	4 Å²	4	91.2 Å²	91.2	3%	0.027	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-14.1	-176.5	-68.5	0	0	0	0	114.2	C1093 I1098 H1135 H1141	C1093-C1096 HydrophobicContact CB-CB 4.49Å; C1093-C1096 PolarHBondContact O-N 3.49Å; C1093-C1096 VanDerWaalsContact O-N 3.15Å; C1096-I1098 HydrophobicContact CB-CD1 3.85Å; C1096-I1098 HydrophobicContact CB-CG1 3.98Å; C1096-H1135 WeakPolarHBondContact CB-NE2 3.05Å; C1096-H1135 PolarHBondContact SG-CE1 3.46Å; C1096-H1135 PolarHBondContact SG-NE2 3.44Å; C1096-H1141 PolarHBondContact SG-ND1 2.94Å; C1096-H1141 VanDerWaalsContact SG-ND1 3.43Å
1097	S	72.2	Confident	51.8	Low	82 Å²	82	92.3 Å²	92.3	57%	0.573	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	49.3	-173.2	-48.1	0	0	0	0	113.9	F1092 C1093	F1092-S1097 VanDerWaalsContact CE2-C 3.49Å; C1093-S1097 WeakPolarHBondContact O-CA 3.17Å; C1093-S1097 PolarHBondContact O-N 3.38Å
1098	I	65.1	Low	52.3	Low	30 Å²	30	95.9 Å²	95.9	15%	0.154	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.9	-174.5	-56.1	176.5	0	0	0	111.7	F1092 C1093 C1096 T1124 F1126	F1092-I1098 CarbonylContact C-O 3.59Å; F1092-I1098 WeakPolarHBondContact CA-O 3.42Å; C1093-I1098 PolarHBondContact N-O 2.7Å; C1093-I1098 PolarHBondContact O-N 3.44Å; C1096-I1098 HydrophobicContact CB-CD1 3.85Å; C1096-I1098 HydrophobicContact CB-CG1 3.98Å; I1098-T1124 WeakPolarHBondContact CG2-O 3.43Å; I1098-F1126 HydrophobicContact CB-CE2 3.8Å; I1098-F1126 HydrophobicContact CB-CZ 4.34Å; I1098-F1126 HydrophobicContact CD1-CE2 4.4Å; I1098-F1126 HydrophobicContact CD1-CZ 4.13Å; I1098-F1126 HydrophobicContact CG2-CD2 3.81Å; I1098-F1126 HydrophobicContact CG2-CE2 3.25Å; I1098-F1126 HydrophobicContact CG2-CZ 3.68Å
1099	S	54	Low	52	Low	55 Å²	55	95.6 Å²	95.6	39%	0.385	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	158.2	-175.2	-56.6	0	0	0	0	115.2	N1091 F1126	N1091-S1099 CarbonylContact O-C 3.59Å; N1091-S1099 WeakPolarHBondContact O-CA 3.21Å; N1091-S1099 WeakPolarHBondContact O-CB 3.41Å; S1099-F1126 PolarHBondContact O-N 2.76Å
1100	I	50.6	Low	51.9	Low	22 Å²	22	96 Å²	96	11%	0.113	53%	0.526	C	S	.	.	B	Isolated β-bridge	trans	-118.3	137.1	172.2	-34.8	-166.1	0	0	0	108.4	S1090 N1091 F1126 F1132	S1090-I1100 WeakPolarHBondContact O-CD1 3.33Å; N1091-I1100 WeakPolarHBondContact CB-O 3.38Å; N1091-I1100 PolarHBondContact O-N 3.38Å; I1100-F1126 WeakPolarHBondContact CA-O 3.5Å; I1100-F1126 HydrophobicContact CB-CB 4.24Å; I1100-F1126 HydrophobicContact CD1-CB 4.39Å; I1100-F1126 HydrophobicContact CG1-CB 4.01Å; I1100-F1126 HydrophobicContact CG1-CD2 4.14Å; I1100-F1126 HydrophobicContact CG2-CB 3.92Å; I1100-F1126 WeakPolarHBondContact CG2-O 3.45Å; I1100-F1132 HydrophobicContact CD1-CB 3.89Å; I1100-F1132 HydrophobicContact CD1-CD2 3.69Å; I1100-F1132 HydrophobicContact CD1-CE2 4.38Å; I1100-F1132 HydrophobicContact CD1-CG 3.81Å
1101	Q	44.5	Very low	51	Low	162 Å²	162	98.3 Å²	98.3	76%	0.757	53%	0.53	S	S	*	.			trans	-126.8	134	163.2	-75.3	-170.9	-13.2	0	0	109.9	S1103 F1126	Q1101-S1103 PolarHBondContact O-N 2.97Å; Q1101-S1103 VanDerWaalsContact O-N 3.16Å; Q1101-F1126 PolarHBondContact N-O 3.28Å
1102	K	39.9	Very low	49.9	Very low	198 Å²	198	99.9 Å²	99.9	86%	0.861	54%	0.542	S	S	*	.			trans	-71	103.7	167.4	-90.5	178.6	168.7	177.9	0	108.7	E1104	K1102-E1104 PolarHBondContact O-N 3.01Å
1103	S	38.2	Very low	48.2	Very low	73 Å²	73	102.1 Å²	102.1	51%	0.51	56%	0.558	S	S	.	*			trans	-71.4	109.9	162.1	52.8	0	0	0	0	109.1	Q1101 I1105	Q1101-S1103 PolarHBondContact O-N 2.97Å; Q1101-S1103 VanDerWaalsContact O-N 3.16Å; S1103-I1105 PolarHBondContact O-N 3.12Å
1104	E	33.5	Very low	46	Very low	175 Å²	175	109.6 Å²	109.6	82%	0.818	59%	0.592	S	S	*	*			trans	-69	120.1	171.1	-63.8	-168.8	145.7	0	0	109.6	K1102 T1106	K1102-E1104 PolarHBondContact O-N 3.01Å; E1104-T1106 PolarHBondContact O-N 2.72Å; E1104-T1106 VanDerWaalsContact O-N 3.08Å
1105	I	34.2	Very low	44.3	Very low	143 Å²	143	113.4 Å²	113.4	73%	0.733	61%	0.61	S	S	*	*			trans	-83.9	85.8	-179	-54.6	178.1	0	0	0	108.8	S1103 N1107	S1103-I1105 PolarHBondContact O-N 3.12Å; I1105-N1107 PolarHBondContact O-N 3.36Å
1106	T	35.9	Very low	42	Very low	126 Å²	126	116.5 Å²	116.5	77%	0.773	64%	0.64	S	S	*	*			trans	-78	105.3	166	49.3	0	0	0	0	109.4	E1104 N1108	E1104-T1106 PolarHBondContact O-N 2.72Å; E1104-T1106 VanDerWaalsContact O-N 3.08Å; T1106-N1108 PolarHBondContact O-N 3.22Å
1107	N	31.7	Very low	39.7	Very low	139 Å²	139	121.9 Å²	121.9	74%	0.743	67%	0.673	S	S	*	*			trans	-64	120.7	177.1	-66.2	-52.2	0	0	0	111.3	I1105	I1105-N1107 PolarHBondContact O-N 3.36Å
1108	N	38.1	Very low	37.9	Very low	169 Å²	169	125.7 Å²	125.7	90%	0.904	69%	0.687	S	S	*	*			trans	-152.3	139.8	148.7	-94.3	-40.7	0	0	0	108.8	T1106	T1106-N1108 PolarHBondContact O-N 3.22Å
1109	S	32.4	Very low	36.2	Very low	107 Å²	107	129 Å²	129	75%	0.748	72%	0.719	S	S	*	*			trans	-90.3	167.1	179.7	54.6	0	0	0	0	111.6
1110	V	36.4	Very low	34.8	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	74%	0.737	S	S	*	*			trans	157.9	129.5	136.5	157.7	0	0	0	0	112.2
1111	L	34.2	Very low	33.7	Very low	147 Å²	147	137.8 Å²	137.8	77%	0.77	77%	0.77	S	S	*	*			trans	63.9	94.4	159.4	-70.3	165.2	0	0	0	122.9
1112	T	31.6	Very low	33.4	Very low	104 Å²	104	139.1 Å²	139.1	64%	0.638	78%	0.776	S	S	*	*				54.1	123.4	120.3	51.8	0	0	0	0	124.5
1113	N	30.5	Very low	33.1	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	77%	0.77	S	S	*	*				87.6	129.4	126.1	-74.7	-7	0	0	0	123.3
1114	Q	33.5	Very low	33.3	Very low	165 Å²	165	135.8 Å²	135.8	77%	0.771	77%	0.774	S	S	*	*			trans	62.3	100.7	145.6	-63.8	177.8	19.9	0	0	119.1
1115	Q	35.1	Very low	34	Very low	185 Å²	185	133 Å²	133	86%	0.864	77%	0.765	S	S	*	*				-171.8	158.6	90.7	-94.8	171	21.3	0	0	110.5
1116	A	31.8	Very low	35.3	Very low	99 Å²	99	127.4 Å²	127.4	82%	0.818	74%	0.735	S	S	*	*			trans	-122.1	115.5	178.9	0	0	0	0	0	110.5
1117	T	30	Very low	36.5	Very low	118 Å²	118	125.4 Å²	125.4	72%	0.724	73%	0.726	S	S	*	*			trans	-164	156.7	166.2	15.8	0	0	0	0	110.7
1118	N	34.2	Very low	38.8	Very low	162 Å²	162	121.4 Å²	121.4	87%	0.866	71%	0.709	S	S	*	*			trans	73.4	129.9	166.4	-54.5	-18.4	0	0	0	116.8
1119	A	29.2	Very low	40.7	Very low	98 Å²	98	119.3 Å²	119.3	81%	0.81	69%	0.693	S	S	*	*			trans	-126.2	171	-176.4	0	0	0	0	0	110.8
1120	C	25.5	Very low	43.1	Very low	114 Å²	114	117 Å²	117	77%	0.77	68%	0.681	S	S	*	*			trans	71	157.5	-173.4	-148.6	0	0	0	0	114.5
1121	N	26.6	Very low	45.4	Very low	149 Å²	149	112.6 Å²	112.6	80%	0.797	66%	0.655	S	S	*	*			trans	72	72	-175.4	-54.8	-21.9	0	0	0	117.2
1122	Q	38.9	Very low	47.9	Very low	189 Å²	189	106.9 Å²	106.9	88%	0.883	62%	0.624	S	S	*	*			trans	-137.8	130.1	156	-70.3	-166.8	5.2	0	0	112.1	T1124	Q1122-T1124 PolarHBondContact O-N 3.23Å
1123	S	34.1	Very low	50.6	Low	106 Å²	106	102.6 Å²	102.6	74%	0.741	60%	0.598	S	S	*	*			trans	-61.2	128.7	178.6	-42.7	0	0	0	0	111.2	N1125	S1123-N1125 VanDerWaalsContact C-N 3.3Å; S1123-N1125 PolarHBondContact O-N 3.47Å
1124	T	42.3	Very low	53.4	Low	96 Å²	96	100.9 Å²	100.9	59%	0.589	59%	0.589	S	S	*	*			trans	-77.3	67.4	-169.1	59.1	0	0	0	0	113.6	I1098 Q1122	I1098-T1124 WeakPolarHBondContact CG2-O 3.43Å; Q1122-T1124 PolarHBondContact O-N 3.23Å
1125	N	48.8	Very low	56.1	Low	117 Å²	117	93.9 Å²	93.9	63%	0.626	56%	0.556	S	S	*	*			trans	-84.8	135.4	175.1	-66.6	-29.8	0	0	0	111	S1123	S1123-N1125 VanDerWaalsContact C-N 3.3Å; S1123-N1125 PolarHBondContact O-N 3.47Å
1126	F	59.8	Low	58.8	Low	25 Å²	25	85.1 Å²	85.1	11%	0.11	52%	0.515	C	S	.	.	B	Isolated β-bridge	trans	-82.7	128.9	178.5	-60	-53.4	0	0	0	111.5	I1098 S1099 I1100 Q1101 H1135	I1098-F1126 HydrophobicContact CB-CE2 3.8Å; I1098-F1126 HydrophobicContact CB-CZ 4.34Å; I1098-F1126 HydrophobicContact CD1-CE2 4.4Å; I1098-F1126 HydrophobicContact CD1-CZ 4.13Å; I1098-F1126 HydrophobicContact CG2-CD2 3.81Å; I1098-F1126 HydrophobicContact CG2-CE2 3.25Å; I1098-F1126 HydrophobicContact CG2-CZ 3.68Å; S1099-F1126 PolarHBondContact O-N 2.76Å; I1100-F1126 WeakPolarHBondContact CA-O 3.5Å; I1100-F1126 HydrophobicContact CB-CB 4.24Å; I1100-F1126 HydrophobicContact CD1-CB 4.39Å; I1100-F1126 HydrophobicContact CG1-CB 4.01Å; I1100-F1126 HydrophobicContact CG1-CD2 4.14Å; I1100-F1126 HydrophobicContact CG2-CB 3.92Å; I1100-F1126 WeakPolarHBondContact CG2-O 3.45Å; Q1101-F1126 PolarHBondContact N-O 3.28Å; F1126-H1135 HydrophobicContact CD1-CB 4.46Å; F1126-H1135 HydrophobicContact CE1-CB 3.65Å; F1126-H1135 HydrophobicContact CE2-CB 3.93Å; F1126-H1135 AromaticContact CE2-CD2 3.82Å; F1126-H1135 AromaticContact CE2-CG 3.67Å; F1126-H1135 HydrophobicContact CZ-CB 3.36Å; F1126-H1135 AromaticContact CZ-CD2 3.83Å; F1126-H1135 AromaticContact CZ-CG 3.21Å; F1126-H1135 AromaticContact CZ-ND1 3.43Å; F1126-H1135 WeakPolarHBondContact CZ-ND1 3.17Å
1127	S	62.3	Low	61.8	Low	83 Å²	83	80.4 Å²	80.4	58%	0.58	48%	0.476	S	S	*	.			trans	-101.7	-14.6	-176.6	175.3	0	0	0	0	113	S1131	S1127-S1131 PolarHBondContact N-OG 3.22Å
1128	S	78.7	Confident	64.8	Low	55 Å²	55	76.3 Å²	76.3	39%	0.385	45%	0.452	S	S	.	.	S	Bend	trans	-149.7	160.6	179.3	71.4	0	0	0	0	113.7	A1130 S1131 F1132	S1128-A1130 PolarHBondContact O-N 2.98Å; S1128-A1130 PolarHBondContact OG-N 3.48Å; S1128-S1131 PolarHBondContact N-OG 3.36Å; S1128-S1131 PolarHBondContact O-N 2.87Å; S1128-S1131 VanDerWaalsContact O-N 3.11Å; S1128-S1131 PolarHBondContact O-OG 3.38Å; S1128-S1131 PolarHBondContact OG-N 3.05Å; S1128-S1131 VanDerWaalsContact OG-N 3.16Å; S1128-S1131 PolarHBondContact OG-OG 2.77Å; S1128-F1132 PolarHBondContact O-N 3.39Å; S1128-F1132 VanDerWaalsContact O-N 3.09Å
1129	H	78.3	Confident	67.5	Low	126 Å²	126	71.6 Å²	71.6	58%	0.583	44%	0.436	S	S	*	.	H	α-helix	trans	-57.5	-33	171	-178.5	-77.6	0	0	0	112.3	F1132 V1133	H1129-F1132 PolarHBondContact O-N 2.97Å; H1129-V1133 VanDerWaalsContact CE1-CG2 3.49Å; H1129-V1133 WeakPolarHBondContact CE1-CG2 3.15Å; H1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; H1129-V1133 PolarHBondContact O-N 3.35Å
1130	A	84.1	Confident	70.3	Confident	58 Å²	58	71.4 Å²	71.4	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-50.2	173.6	0	0	0	0	0	110.9	S1128 F1132 V1133 D1134	S1128-A1130 PolarHBondContact O-N 2.98Å; S1128-A1130 PolarHBondContact OG-N 3.48Å; A1130-F1132 PolarHBondContact O-N 3.17Å; A1130-V1133 PolarHBondContact O-N 3.45Å; A1130-D1134 PolarHBondContact O-N 3.06Å
1131	S	84.4	Confident	73.5	Confident	33 Å²	33	66 Å²	66	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-29.2	177.1	63.6	0	0	0	0	113.7	S1127 S1128 H1135	S1127-S1131 PolarHBondContact N-OG 3.22Å; S1128-S1131 PolarHBondContact N-OG 3.36Å; S1128-S1131 PolarHBondContact O-N 2.87Å; S1128-S1131 VanDerWaalsContact O-N 3.11Å; S1128-S1131 PolarHBondContact O-OG 3.38Å; S1128-S1131 PolarHBondContact OG-N 3.05Å; S1128-S1131 VanDerWaalsContact OG-N 3.16Å; S1128-S1131 PolarHBondContact OG-OG 2.77Å; S1131-H1135 WeakPolarHBondContact O-CB 3.42Å; S1131-H1135 PolarHBondContact O-N 3.12Å
1132	F	86.3	Confident	76.7	Confident	28 Å²	28	59.1 Å²	59.1	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-72	-41.5	172	174	-114.5	0	0	0	112.9	Y1021 I1100 S1128 H1129 A1130 H1135 L1136	Y1021-F1132 HydrophobicContact CD1-CZ 4.07Å; Y1021-F1132 HydrophobicContact CG-CZ 4.18Å; I1100-F1132 HydrophobicContact CD1-CB 3.89Å; I1100-F1132 HydrophobicContact CD1-CD2 3.69Å; I1100-F1132 HydrophobicContact CD1-CE2 4.38Å; I1100-F1132 HydrophobicContact CD1-CG 3.81Å; S1128-F1132 PolarHBondContact O-N 3.39Å; S1128-F1132 VanDerWaalsContact O-N 3.09Å; H1129-F1132 PolarHBondContact O-N 2.97Å; A1130-F1132 PolarHBondContact O-N 3.17Å; F1132-H1135 WeakPolarHBondContact O-CB 3.45Å; F1132-H1135 PolarHBondContact O-N 3.04Å; F1132-L1136 HydrophobicContact CD1-CD1 4.16Å; F1132-L1136 HydrophobicContact CE1-CD1 3.65Å; F1132-L1136 HydrophobicContact CE1-CG 4.21Å; F1132-L1136 HydrophobicContact CE2-CD1 4.43Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CE2-CG 4.1Å; F1132-L1136 HydrophobicContact CZ-CD1 3.8Å; F1132-L1136 HydrophobicContact CZ-CD2 3.97Å; F1132-L1136 HydrophobicContact CZ-CG 3.95Å; F1132-L1136 WeakPolarHBondContact O-CG 3.24Å; F1132-L1136 PolarHBondContact O-N 3.37Å
1133	V	88.7	Confident	79.2	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-43.9	173.8	172.3	0	0	0	0	110.7	H1129 A1130 H1135 L1136 F1137	H1129-V1133 VanDerWaalsContact CE1-CG2 3.49Å; H1129-V1133 WeakPolarHBondContact CE1-CG2 3.15Å; H1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; H1129-V1133 PolarHBondContact O-N 3.35Å; A1130-V1133 PolarHBondContact O-N 3.45Å; V1133-H1135 PolarHBondContact O-N 3.36Å; V1133-L1136 PolarHBondContact O-N 3.44Å; V1133-F1137 HydrophobicContact CG1-CD2 4.05Å; V1133-F1137 HydrophobicContact CG1-CE2 4.32Å; V1133-F1137 WeakPolarHBondContact O-CD2 3.23Å; V1133-F1137 PolarHBondContact O-N 2.97Å
1134	D	88.7	Confident	81.9	Confident	99 Å²	99	54.1 Å²	54.1	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-34.1	174.4	-74.2	-43.6	0	0	0	112	R1032 A1130 F1137 S1138	R1032-D1134 IonicContact NH2-OD1 2.65Å; A1130-D1134 PolarHBondContact O-N 3.06Å; D1134-F1137 CarbonylContact O-C 3.45Å; D1134-S1138 WeakPolarHBondContact O-CB 3.19Å; D1134-S1138 PolarHBondContact O-N 3.36Å
1135	H	90.7	Very high	84.3	Confident	18 Å²	18	49.6 Å²	49.6	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-50	170.2	177.9	67.6	0	0	0	113.3	C1093 C1096 F1126 S1131 F1132 V1133 F1137 S1138 H1141	C1093-H1135 PolarHBondContact SG-NE2 3.49Å; C1096-H1135 WeakPolarHBondContact CB-NE2 3.05Å; C1096-H1135 PolarHBondContact SG-CE1 3.46Å; C1096-H1135 PolarHBondContact SG-NE2 3.44Å; F1126-H1135 HydrophobicContact CD1-CB 4.46Å; F1126-H1135 HydrophobicContact CE1-CB 3.65Å; F1126-H1135 HydrophobicContact CE2-CB 3.93Å; F1126-H1135 AromaticContact CE2-CD2 3.82Å; F1126-H1135 AromaticContact CE2-CG 3.67Å; F1126-H1135 HydrophobicContact CZ-CB 3.36Å; F1126-H1135 AromaticContact CZ-CD2 3.83Å; F1126-H1135 AromaticContact CZ-CG 3.21Å; F1126-H1135 AromaticContact CZ-ND1 3.43Å; F1126-H1135 WeakPolarHBondContact CZ-ND1 3.17Å; S1131-H1135 WeakPolarHBondContact O-CB 3.42Å; S1131-H1135 PolarHBondContact O-N 3.12Å; F1132-H1135 WeakPolarHBondContact O-CB 3.45Å; F1132-H1135 PolarHBondContact O-N 3.04Å; V1133-H1135 PolarHBondContact O-N 3.36Å; H1135-F1137 PolarHBondContact O-N 3.26Å; H1135-S1138 WeakPolarHBondContact O-CB 3.49Å; H1135-S1138 PolarHBondContact O-N 2.98Å; H1135-S1138 PolarHBondContact O-OG 3.43Å; H1135-H1141 AromaticContact CD2-ND1 3.74Å; H1135-H1141 AromaticContact NE2-CG 3.95Å; H1135-H1141 AromaticContact NE2-ND1 3.28Å; H1135-H1141 PolarHBondContact NE2-ND1 3.16Å; H1135-H1141 WeakPolarHBondContact O-CB 3.09Å
1136	L	91.7	Very high	86.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-54.1	-37.2	178.3	-74	174.9	0	0	0	112	I1018 Y1021 H1022 F1132 V1133 H1141 L1142	I1018-L1136 HydrophobicContact CD1-CB 4.26Å; I1018-L1136 HydrophobicContact CD1-CD2 4.49Å; Y1021-L1136 HydrophobicContact CD2-CD2 4.23Å; Y1021-L1136 HydrophobicContact CG-CD2 4.45Å; H1022-L1136 HydrophobicContact CB-CD1 4.22Å; F1132-L1136 HydrophobicContact CD1-CD1 4.16Å; F1132-L1136 HydrophobicContact CE1-CD1 3.65Å; F1132-L1136 HydrophobicContact CE1-CG 4.21Å; F1132-L1136 HydrophobicContact CE2-CD1 4.43Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CE2-CG 4.1Å; F1132-L1136 HydrophobicContact CZ-CD1 3.8Å; F1132-L1136 HydrophobicContact CZ-CD2 3.97Å; F1132-L1136 HydrophobicContact CZ-CG 3.95Å; F1132-L1136 WeakPolarHBondContact O-CG 3.24Å; F1132-L1136 PolarHBondContact O-N 3.37Å; V1133-L1136 PolarHBondContact O-N 3.44Å; L1136-H1141 PolarHBondContact O-CD2 2.94Å; L1136-L1142 WeakPolarHBondContact O-CD2 3.18Å
1137	F	94.2	Very high	87.8	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	18.8	178.1	-65.7	-87.4	0	0	0	113.6	I1018 H1022 P1025 E1029 R1032 L1033 V1133 D1134 H1135	I1018-F1137 HydrophobicContact CG2-CE1 3.81Å; I1018-F1137 HydrophobicContact CG2-CE2 3.98Å; I1018-F1137 HydrophobicContact CG2-CZ 3.25Å; H1022-F1137 HydrophobicContact CB-CE2 4.28Å; H1022-F1137 AromaticContact ND1-CE2 3.77Å; P1025-F1137 HydrophobicContact CB-CE1 4.26Å; P1025-F1137 HydrophobicContact CB-CE2 4.46Å; P1025-F1137 HydrophobicContact CB-CZ 3.75Å; E1029-F1137 HydrophobicContact CB-CD1 3.63Å; E1029-F1137 HydrophobicContact CB-CD2 4.09Å; E1029-F1137 HydrophobicContact CB-CE1 3.68Å; E1029-F1137 HydrophobicContact CB-CE2 4.16Å; E1029-F1137 HydrophobicContact CB-CG 3.83Å; E1029-F1137 HydrophobicContact CB-CZ 3.95Å; E1029-F1137 HydrophobicContact CG-CB 4.11Å; E1029-F1137 HydrophobicContact CG-CD1 4.01Å; E1029-F1137 HydrophobicContact CG-CD2 3.65Å; E1029-F1137 HydrophobicContact CG-CE1 4.34Å; E1029-F1137 HydrophobicContact CG-CE2 4.03Å; E1029-F1137 HydrophobicContact CG-CG 3.65Å; E1029-F1137 HydrophobicContact CG-CZ 4.34Å; E1029-F1137 WeakPolarHBondContact O-CD1 3.45Å; E1029-F1137 WeakPolarHBondContact OE2-CE2 3.42Å; R1032-F1137 PolarHBondContact NE-O 3.03Å; L1033-F1137 HydrophobicContact CB-CD1 4.15Å; L1033-F1137 HydrophobicContact CB-CE1 3.99Å; L1033-F1137 HydrophobicContact CD2-CE1 4.01Å; V1133-F1137 HydrophobicContact CG1-CD2 4.05Å; V1133-F1137 HydrophobicContact CG1-CE2 4.32Å; V1133-F1137 WeakPolarHBondContact O-CD2 3.23Å; V1133-F1137 PolarHBondContact O-N 2.97Å; D1134-F1137 CarbonylContact O-C 3.45Å; H1135-F1137 PolarHBondContact O-N 3.26Å
1138	S	92.7	Very high	89	Confident	33 Å²	33	55.1 Å²	55.1	23%	0.231	29%	0.287	C	S	.	.	S	Bend	trans	-77.3	148.2	171.1	71.7	0	0	0	0	110.8	D1134 H1135 V1140 H1141 L1142	D1134-S1138 WeakPolarHBondContact O-CB 3.19Å; D1134-S1138 PolarHBondContact O-N 3.36Å; H1135-S1138 WeakPolarHBondContact O-CB 3.49Å; H1135-S1138 PolarHBondContact O-N 2.98Å; H1135-S1138 PolarHBondContact O-OG 3.43Å; S1138-V1140 PolarHBondContact O-N 3.31Å; S1138-V1140 VanDerWaalsContact O-N 3.16Å; S1138-H1141 PolarHBondContact O-N 3.35Å; S1138-H1141 WeakPolarHBondContact OG-CB 3.48Å; S1138-H1141 PolarHBondContact OG-N 3.33Å; S1138-H1141 VanDerWaalsContact OG-N 3.17Å; S1138-L1142 WeakPolarHBondContact O-CB 3.12Å; S1138-L1142 WeakPolarHBondContact O-CG 3.49Å; S1138-L1142 PolarHBondContact O-N 3.1Å
1139	A	90.6	Very high	89.5	Confident	62 Å²	62	52.6 Å²	52.6	51%	0.512	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-27.5	178.1	0	0	0	0	0	113	K1143	A1139-K1143 VanDerWaalsContact O-CB 3.31Å; A1139-K1143 WeakPolarHBondContact O-CB 3.38Å; A1139-K1143 WeakPolarHBondContact O-CG 3.3Å; A1139-K1143 PolarHBondContact O-N 3.46Å; A1139-K1143 VanDerWaalsContact O-N 3.13Å
1140	V	89.3	Confident	89.8	Confident	95 Å²	95	48.4 Å²	48.4	58%	0.576	25%	0.252	S	S	*	.	H	α-helix	trans	-72.9	-51.1	176.9	-179.2	0	0	0	0	111.1	S1138 K1143 K1144	S1138-V1140 PolarHBondContact O-N 3.31Å; S1138-V1140 VanDerWaalsContact O-N 3.16Å; V1140-K1143 PolarHBondContact O-N 3.24Å; V1140-K1144 PolarHBondContact O-N 3.25Å
1141	H	92.3	Very high	89.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-46.8	177.1	-177.5	97.3	0	0	0	111	C1093 C1096 H1135 L1136 S1138 K1143 K1144 L1145	C1093-H1141 VanDerWaalsContact SG-CE1 3.5Å; C1093-H1141 PolarHBondContact SG-ND1 3.22Å; C1093-H1141 VanDerWaalsContact SG-ND1 3.43Å; C1096-H1141 PolarHBondContact SG-ND1 2.94Å; C1096-H1141 VanDerWaalsContact SG-ND1 3.43Å; H1135-H1141 AromaticContact CD2-ND1 3.74Å; H1135-H1141 AromaticContact NE2-CG 3.95Å; H1135-H1141 AromaticContact NE2-ND1 3.28Å; H1135-H1141 PolarHBondContact NE2-ND1 3.16Å; H1135-H1141 WeakPolarHBondContact O-CB 3.09Å; L1136-H1141 PolarHBondContact O-CD2 2.94Å; S1138-H1141 PolarHBondContact O-N 3.35Å; S1138-H1141 WeakPolarHBondContact OG-CB 3.48Å; S1138-H1141 PolarHBondContact OG-N 3.33Å; S1138-H1141 VanDerWaalsContact OG-N 3.17Å; H1141-K1143 VanDerWaalsContact C-N 3.33Å; H1141-K1143 PolarHBondContact O-N 3.08Å; H1141-K1144 PolarHBondContact O-N 3.36Å; H1141-L1145 VanDerWaalsContact O-CB 3.27Å; H1141-L1145 WeakPolarHBondContact O-CB 3.22Å; H1141-L1145 PolarHBondContact O-N 2.93Å
1142	L	94.6	Very high	87.9	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-36.2	-178.3	-69.1	178	0	0	0	112.4	I1018 R1032 L1033 M1036 L1136 S1138 L1145 L1146	I1018-L1142 HydrophobicContact CD1-CD2 4.08Å; R1032-L1142 HydrophobicContact CB-CD1 4.26Å; L1033-L1142 HydrophobicContact CD1-CD2 3.82Å; M1036-L1142 HydrophobicContact CB-CB 4.29Å; M1036-L1142 HydrophobicContact CE-CB 4Å; M1036-L1142 HydrophobicContact CG-CB 3.92Å; L1136-L1142 WeakPolarHBondContact O-CD2 3.18Å; S1138-L1142 WeakPolarHBondContact O-CB 3.12Å; S1138-L1142 WeakPolarHBondContact O-CG 3.49Å; S1138-L1142 PolarHBondContact O-N 3.1Å; L1142-L1145 HydrophobicContact CD2-CD2 4.46Å; L1142-L1146 WeakPolarHBondContact O-CB 3.27Å; L1142-L1146 PolarHBondContact O-N 2.6Å
1143	K	91.7	Very high	86.2	Confident	134 Å²	134	54.5 Å²	54.5	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-67.3	-45.7	171.3	-77.8	178.6	178.7	-173.5	0	112.5	M1036 A1139 V1140 H1141 L1146 R1147	M1036-K1143 HydrophobicContact CE-CG 3.74Å; M1036-K1143 HydrophobicContact SD-CG 3.61Å; A1139-K1143 VanDerWaalsContact O-CB 3.31Å; A1139-K1143 WeakPolarHBondContact O-CB 3.38Å; A1139-K1143 WeakPolarHBondContact O-CG 3.3Å; A1139-K1143 PolarHBondContact O-N 3.46Å; A1139-K1143 VanDerWaalsContact O-N 3.13Å; V1140-K1143 PolarHBondContact O-N 3.24Å; H1141-K1143 VanDerWaalsContact C-N 3.33Å; H1141-K1143 PolarHBondContact O-N 3.08Å; K1143-L1146 PolarHBondContact O-N 2.83Å; K1143-R1147 PolarHBondContact O-N 3.36Å
1144	K	90.6	Very high	83.7	Confident	55 Å²	55	60.1 Å²	60.1	24%	0.239	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-43.3	176.4	-75.7	-168.2	174.1	-170.7	0	111.7	Y240 I1095 V1140 H1141 R1147 W1148	Y240-K1144 VanDerWaalsContact CE2-NZ 3.33Å; Y240-K1144 VanDerWaalsContact CZ-NZ 3.32Å; Y240-K1144 PolarHBondContact OH-NZ 2.66Å; I1095-K1144 HydrophobicContact CG2-CB 3.63Å; I1095-K1144 WeakPolarHBondContact O-CD 3.46Å; V1140-K1144 PolarHBondContact O-N 3.25Å; H1141-K1144 PolarHBondContact O-N 3.36Å; K1144-R1147 PolarHBondContact O-N 2.95Å; K1144-W1148 WeakPolarHBondContact O-CB 3.42Å; K1144-W1148 PolarHBondContact O-N 3.37Å
1145	L	91.9	Very high	83.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-43.9	175	171	63	0	0	0	112	C1014 S1017 I1018 I1095 H1141 L1142 W1148 C1149	C1014-L1145 HydrophobicContact CB-CD2 4.33Å; C1014-L1145 HydrophobicContact CB-CG 4.37Å; S1017-L1145 WeakPolarHBondContact OG-CD1 3.4Å; I1018-L1145 HydrophobicContact CD1-CD2 3.8Å; I1018-L1145 HydrophobicContact CG1-CD2 3.68Å; I1095-L1145 HydrophobicContact CD1-CB 4.25Å; I1095-L1145 HydrophobicContact CD1-CD1 3.62Å; I1095-L1145 HydrophobicContact CD1-CG 4.49Å; I1095-L1145 HydrophobicContact CG2-CB 4.49Å; H1141-L1145 VanDerWaalsContact O-CB 3.27Å; H1141-L1145 WeakPolarHBondContact O-CB 3.22Å; H1141-L1145 PolarHBondContact O-N 2.93Å; L1142-L1145 HydrophobicContact CD2-CD2 4.46Å; L1145-W1148 HydrophobicContact CD1-CE3 4.21Å; L1145-W1148 PolarHBondContact O-N 3.07Å; L1145-C1149 WeakPolarHBondContact O-CB 3.46Å; L1145-C1149 PolarHBondContact O-N 3.37Å; L1145-C1149 PolarHBondContact O-SG 3.39Å
1146	L	91.9	Very high	83.1	Confident	46 Å²	46	60.3 Å²	60.3	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.7	-175.4	66.4	0	0	0	111.2	L1010 M1036 I1037 L1142 K1143 T1150	L1010-L1146 HydrophobicContact CD1-CD1 4.06Å; L1010-L1146 HydrophobicContact CD2-CD1 3.91Å; L1010-L1146 HydrophobicContact CG-CD1 3.96Å; M1036-L1146 HydrophobicContact CG-CB 4.49Å; M1036-L1146 HydrophobicContact CG-CD2 4.24Å; M1036-L1146 HydrophobicContact SD-CD2 4.36Å; I1037-L1146 HydrophobicContact CG2-CD1 4.45Å; L1142-L1146 WeakPolarHBondContact O-CB 3.27Å; L1142-L1146 PolarHBondContact O-N 2.6Å; K1143-L1146 PolarHBondContact O-N 2.83Å; L1146-T1150 PolarHBondContact O-N 3.19Å
1147	R	89.5	Confident	82.6	Confident	168 Å²	168	63.6 Å²	63.6	63%	0.634	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-46	175.3	177.7	64	73.9	-175.2	6.6	112.1	K1143 K1144 C1149 T1150 M1151	K1143-R1147 PolarHBondContact O-N 3.36Å; K1144-R1147 PolarHBondContact O-N 2.95Å; R1147-C1149 PolarHBondContact O-N 3.04Å; R1147-T1150 PolarHBondContact O-N 3.12Å; R1147-T1150 PolarHBondContact O-OG1 3.26Å; R1147-M1151 WeakPolarHBondContact O-CG 3.26Å; R1147-M1151 PolarHBondContact O-N 3.29Å
1148	W	88.9	Confident	81.9	Confident	128 Å²	128	67.4 Å²	67.4	49%	0.485	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-49.4	177.1	-179.5	70.1	0	0	0	110.8	I1095 K1144 L1145 T1150 M1151 D1152	I1095-W1148 HydrophobicContact CD1-CE3 4.39Å; K1144-W1148 WeakPolarHBondContact O-CB 3.42Å; K1144-W1148 PolarHBondContact O-N 3.37Å; L1145-W1148 HydrophobicContact CD1-CE3 4.21Å; L1145-W1148 PolarHBondContact O-N 3.07Å; W1148-T1150 PolarHBondContact O-N 3.32Å; W1148-M1151 PolarHBondContact O-N 3.49Å; W1148-M1151 VanDerWaalsContact O-N 3.09Å; W1148-D1152 PolarHBondContact O-N 3.22Å
1149	C	88.1	Confident	81.2	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-10	175.4	-67.9	0	0	0	0	114.8	L1010 R1013 L1145 R1147 T1153	L1010-C1149 VanDerWaalsContact CD1-C 3.42Å; L1010-C1149 HydrophobicContact CD1-CB 3.68Å; L1010-C1149 WeakPolarHBondContact CD1-O 3.35Å; R1013-C1149 HydrophobicContact CB-CB 4.26Å; R1013-C1149 PolarHBondContact NH2-O 3.34Å; L1145-C1149 WeakPolarHBondContact O-CB 3.46Å; L1145-C1149 PolarHBondContact O-N 3.37Å; L1145-C1149 PolarHBondContact O-SG 3.39Å; R1147-C1149 PolarHBondContact O-N 3.04Å; C1149-T1153 PolarHBondContact O-OG1 3.28Å
1150	T	86	Confident	80.6	Confident	38 Å²	38	70 Å²	70	23%	0.233	35%	0.346	C	S	.	.	H	α-helix	trans	-84.2	-31	167.4	51.5	0	0	0	0	112.7	L1010 L1146 R1147 W1148 T1153	L1010-T1150 HydrophobicContact CD1-CG2 3.61Å; L1010-T1150 HydrophobicContact CD2-CG2 3.64Å; L1010-T1150 HydrophobicContact CG-CG2 4.29Å; L1146-T1150 PolarHBondContact O-N 3.19Å; R1147-T1150 PolarHBondContact O-N 3.12Å; R1147-T1150 PolarHBondContact O-OG1 3.26Å; W1148-T1150 PolarHBondContact O-N 3.32Å; T1150-T1153 WeakPolarHBondContact O-CB 3.39Å; T1150-T1153 PolarHBondContact O-N 3.33Å; T1150-T1153 PolarHBondContact O-OG1 2.95Å
1151	M	69.5	Low	80	Confident	79 Å²	79	68.2 Å²	68.2	39%	0.389	33%	0.33	S	S	.	.	H	α-helix	trans	-72.2	-33.4	179.3	-56.4	-67.9	78.4	0	0	112.8	R1147 W1148 T1153 T1154	R1147-M1151 WeakPolarHBondContact O-CG 3.26Å; R1147-M1151 PolarHBondContact O-N 3.29Å; W1148-M1151 PolarHBondContact O-N 3.49Å; W1148-M1151 VanDerWaalsContact O-N 3.09Å; M1151-T1153 PolarHBondContact O-N 3.29Å; M1151-T1154 PolarHBondContact O-N 3.27Å; M1151-T1154 PolarHBondContact O-OG1 3.3Å
1152	D	58.8	Low	79	Confident	83 Å²	83	73.4 Å²	73.4	44%	0.444	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	11.3	169.7	-72.3	-6.4	0	0	0	114.5	R1013 W1148	R1013-D1152 VanDerWaalsContact NH1-CB 3.32Å; R1013-D1152 PolarHBondContact NH1-O 2.7Å; W1148-D1152 PolarHBondContact O-N 3.22Å
1153	T	49.4	Very low	77.7	Confident	85 Å²	85	79.2 Å²	79.2	52%	0.521	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	2.8	-174.2	-6.2	0	0	0	0	114.1	R1013 C1149 T1150 M1151	R1013-T1153 VanDerWaalsContact NH2-CG2 3.34Å; R1013-T1153 PolarHBondContact NH2-OG1 3.18Å; C1149-T1153 PolarHBondContact O-OG1 3.28Å; T1150-T1153 WeakPolarHBondContact O-CB 3.39Å; T1150-T1153 PolarHBondContact O-N 3.33Å; T1150-T1153 PolarHBondContact O-OG1 2.95Å; M1151-T1153 PolarHBondContact O-N 3.29Å
1154	T	36.7	Very low	76.5	Confident	132 Å²	132	74.2 Å²	74.2	81%	0.81	36%	0.364	S	S	*	.			trans	-133.5	0	-167	58.1	0	0	0	0	113	K308 M1151	K308-T1154 VanDerWaalsContact NZ-C 3.33Å; K308-T1154 PolarHBondContact NZ-O 3.25Å; M1151-T1154 PolarHBondContact O-N 3.27Å; M1151-T1154 PolarHBondContact O-OG1 3.3Å

Retrieved 1,154 of 1,154 residues in 1146 ms (Link to these results)

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