A0A2K5N6P5_CERAT Loading...

Actinin alpha 1

AlphaFold DB , UniProt , Accession A0A2K5N6P5, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ACTN1, Length 914 aa.

						>A0A2K5N6P5_CERAT|A0A2K5N6P5|ACTN1
MDHYDSQQTNDYMQPEEDWDRDLLLDPAWEKQQRKTFTAWCNSHLRKAGTQIENIEEDFRDGLKLMLLLEVISGERLAKPERGKMRVHKISNVNKALDFIASKGVKLVSIGAEEIVDGNVKMTLGMIWTIILRFAIQDISVEETSAKEGLLLWCQRKTAPYKNVNIQNFHISWKDGLGFCALIHRHRPELIDYGKLRKDDPLTNLNTAFDVAEKYLDIPKMLDAEDIVGTARPDEKAIMTYVSSFYHAFSGAQKAETAANRICKVLAVNQENEQLMEDYEKLASDLLEWIRRTIPWLENRVPENTMHAMQQKLEDFRDYRRLHKPPKVQEKCQLEINFNTLQTKLRLSNRPAFMPSEGRMVSDINNAWGCLEQVEKGYEEWLLNEIRRLERLDHLAEKFRQKASIHEAWTDGKEAMLRQKDYETATLSEIKALLKKHEAFESDLAAHQDRVEQIAAIAQELNELDYYDSPSVNARCQKICDQWDNLGALTQKRREALERTEKLLETIDQLYLEYAKRAAPFNNWMEGAMEDLQDTFIVHTIEEIQGLTTAHEQFKATLPDADKERLAILGIHNEVSKIVQTYHVNMAGTNPYTTITPQEINGKWDHVRQLVPRRDQALTEEHARQQHNERLRKQFGAQANVIGPWIQTKMEEIGRISIEMHGTLEDQLSHLRQYEKSIVNYKPKIDQLEGDHQLIQEALIFDNKHTNYTMEHIRVGWEQLLTTIARTINEVENQILTRDAKGISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQKKTGMMDTDDFRACLISMGYNMGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGDKNYITVDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	30.6	Very low	237 Å²	237	173.8 Å²	173.8	100%	1.167	88%	0.88	S	S	*	*				0	126.1	0	-133.8	157.3	-178.5	0	0	105.6
2	D	33.6	Very low	30.4	Very low	158 Å²	158	175.3 Å²	175.3	85%	0.845	87%	0.869	S	S	*	*			trans	74.2	77.4	-179.1	-54	-16.1	0	0	0	117.9
3	H	29.1	Very low	30.2	Very low	195 Å²	195	175.7 Å²	175.7	90%	0.903	87%	0.871	S	S	*	*			trans	-100.2	129.2	151.5	-96.1	-56.4	0	0	0	108.6
4	Y	32.2	Very low	30.1	Very low	239 Å²	239	176.4 Å²	176.4	94%	0.937	87%	0.871	S	S	*	*			trans	-84.3	123.7	164.6	-106.1	-93.4	0	0	0	108.9
5	D	30.1	Very low	30.3	Very low	158 Å²	158	172.7 Å²	172.7	85%	0.845	87%	0.865	S	S	*	*			trans	-105.4	135	-178.9	-142.6	-1.5	0	0	0	108.8
6	S	30.5	Very low	30.2	Very low	115 Å²	115	174.5 Å²	174.5	80%	0.804	87%	0.87	S	S	*	*			trans	-123	107.1	173.8	60.5	0	0	0	0	109.6
7	Q	29.6	Very low	30.4	Very low	191 Å²	191	173.6 Å²	173.6	89%	0.893	86%	0.862	S	S	*	*			trans	-65	135.1	173.1	-72.8	170.3	-24.9	0	0	111.7
8	Q	30.5	Very low	30.3	Very low	196 Å²	196	173.4 Å²	173.4	92%	0.916	87%	0.865	S	S	*	*			trans	-133.1	124.1	149.6	-98.1	-178.2	-0.9	0	0	110
9	T	28.7	Very low	30.3	Very low	135 Å²	135	175.6 Å²	175.6	83%	0.828	86%	0.862	S	S	*	*			trans	-63.3	138.8	178.5	42.9	0	0	0	0	112.8
10	N	30.8	Very low	30.4	Very low	173 Å²	173	173 Å²	173	93%	0.925	85%	0.852	S	S	*	*			trans	-127.4	115.9	162.2	-137.7	7.4	0	0	0	108.6
11	D	27.8	Very low	30.5	Very low	115 Å²	115	174.1 Å²	174.1	62%	0.615	85%	0.847	S	S	*	*			trans	-103.5	162.2	-176.8	-165.8	8.6	0	0	0	109.7
12	Y	28	Very low	30.9	Very low	191 Å²	191	170.9 Å²	170.9	75%	0.749	83%	0.834	S	S	*	*			trans	83.6	108.4	169.3	-59.2	-76.6	0	0	0	119.2
13	M	28.2	Very low	30.8	Very low	181 Å²	181	169.9 Å²	169.9	89%	0.892	83%	0.828	S	S	*	*				-178.3	124.5	83.7	-87.6	-143.7	-175.4	0	0	111.7
14	Q	28.1	Very low	31.7	Very low	186 Å²	186	169.3 Å²	169.3	87%	0.869	83%	0.831	S	S	*	*			trans	-79.3	152.6	160.7	-74.9	-175.8	-16.1	0	0	110
15	P	33.3	Very low	32.1	Very low	121 Å²	121	165.6 Å²	165.6	79%	0.786	83%	0.826	S	S	*	*			trans	-88.5	125.5	178.1	26.4	-15.1	0	0	0	111.4
16	E	28.6	Very low	33.1	Very low	201 Å²	201	163.3 Å²	163.3	94%	0.939	81%	0.814	S	S	*	*			trans	-80.1	114.2	163	-79.1	-178.6	162.1	0	0	109.3
17	E	33.6	Very low	34.6	Very low	160 Å²	160	162.5 Å²	162.5	75%	0.748	81%	0.806	S	S	*	*			trans	-72.1	135.4	158.7	-68.2	180	142.2	0	0	108.9
18	D	28.4	Very low	36.5	Very low	170 Å²	170	154.5 Å²	154.5	91%	0.909	77%	0.773	S	S	*	*			trans	-145.3	114	151.5	-110.4	-16.7	0	0	0	109.9
19	W	31.6	Very low	38.7	Very low	215 Å²	215	150 Å²	150	81%	0.814	75%	0.748	S	S	*	*			trans	-80.7	132.5	168.3	-71.2	42.4	0	0	0	108.3
20	D	31.6	Very low	41.1	Very low	122 Å²	122	145.8 Å²	145.8	65%	0.652	72%	0.719	S	S	*	*				-178.8	135	123.3	-113.3	-3.8	0	0	0	114.5
21	R	32.5	Very low	43.5	Very low	197 Å²	197	142.6 Å²	142.6	74%	0.743	70%	0.696	S	S	*	*			trans	80.8	97.6	145.7	-68.3	178.1	-137.5	-163.8	5.4	121	L23	R21-L23 PolarHBondContact O-N 2.71Å
22	D	42.1	Very low	46.1	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	67%	0.668	S	S	*	*			trans	-41.5	112.6	132.4	-87.5	-37	0	0	0	112.3
23	L	31.8	Very low	48.9	Very low	138 Å²	138	128.7 Å²	128.7	72%	0.723	64%	0.635	S	S	*	*			trans	-149.8	123.8	153.4	-107.9	118.3	0	0	0	108.7	R21 L25	R21-L23 PolarHBondContact O-N 2.71Å; L23-L25 PolarHBondContact O-N 3.39Å
24	L	47.8	Very low	51.6	Low	183 Å²	183	124.7 Å²	124.7	96%	0.958	61%	0.609	S	S	*	*			trans	-20.8	108.9	175.5	-96.2	75.4	0	0	0	115.2
25	L	41	Very low	54.4	Low	160 Å²	160	119.3 Å²	119.3	84%	0.838	58%	0.583	S	S	*	*			trans	-142.1	104.1	170.7	-91.4	146.9	0	0	0	110.7	L23	L23-L25 PolarHBondContact O-N 3.39Å
26	D	50.4	Low	56.9	Low	110 Å²	110	113.6 Å²	113.6	59%	0.588	55%	0.546	S	S	*	.			trans	41.6	116.4	153.5	-151.1	-9.6	0	0	0	121.4	A28 W29	D26-A28 PolarHBondContact O-N 3.32Å; D26-A28 PolarHBondContact OD1-N 3.38Å; D26-W29 VanDerWaalsContact O-CD1 3.31Å
27	P	63.2	Low	60	Low	98 Å²	98	104 Å²	104	64%	0.636	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	5.8	171.7	23.6	-28.9	0	0	0	115.9	W29 K31	P27-W29 PolarHBondContact O-N 3.11Å; P27-K31 PolarHBondContact O-N 3.12Å
28	A	68.6	Low	62.6	Low	24 Å²	24	97.3 Å²	97.3	20%	0.198	47%	0.471	C	S	.	.	H	α-helix	trans	-61.1	-38	-179.6	0	0	0	0	0	114.5	D26 K31 Q32	D26-A28 PolarHBondContact O-N 3.32Å; D26-A28 PolarHBondContact OD1-N 3.38Å; A28-K31 PolarHBondContact O-N 3.28Å; A28-Q32 PolarHBondContact O-N 2.7Å; A28-Q32 VanDerWaalsContact O-N 3.17Å
29	W	77.3	Confident	65.4	Low	101 Å²	101	90.2 Å²	90.2	38%	0.383	44%	0.436	S	S	.	.	H	α-helix	trans	-70.6	-36.6	-177.2	70.5	-91	0	0	0	112.7	D26 P27 K31 Q32 Q33	D26-W29 VanDerWaalsContact O-CD1 3.31Å; P27-W29 PolarHBondContact O-N 3.11Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 3.28Å; W29-Q32 PolarHBondContact O-N 2.64Å; W29-Q33 PolarHBondContact O-N 3.5Å
30	E	79.6	Confident	68.2	Low	47 Å²	47	80.1 Å²	80.1	22%	0.22	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-40.8	176	-66.9	-177.3	-166.2	0	0	110.7	Q32 R34 K121	E30-Q32 PolarHBondContact O-N 3.1Å; E30-R34 VanDerWaalsContact O-CB 3.27Å; E30-R34 WeakPolarHBondContact O-CB 3.08Å; E30-R34 PolarHBondContact O-N 2.91Å; E30-K121 WeakPolarHBondContact OE1-CE 3.12Å; E30-K121 IonicContact OE1-NZ 2.72Å
31	K	80.3	Confident	71.1	Confident	106 Å²	106	74.3 Å²	74.3	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-40.5	176.7	-169.4	-177.3	176.5	-167.5	0	111.9	P27 A28 W29 K35	P27-K31 PolarHBondContact O-N 3.12Å; A28-K31 PolarHBondContact O-N 3.28Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 3.28Å; K31-K35 PolarHBondContact O-N 3.39Å
32	Q	82.1	Confident	73.8	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-44.8	179.3	-168.4	175	14.8	0	0	112.2	A28 W29 E30 R34 K35 T36 D234 A237	A28-Q32 PolarHBondContact O-N 2.7Å; A28-Q32 VanDerWaalsContact O-N 3.17Å; W29-Q32 PolarHBondContact O-N 2.64Å; E30-Q32 PolarHBondContact O-N 3.1Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.36Å; Q32-K35 PolarHBondContact O-N 3.31Å; Q32-T36 PolarHBondContact O-N 3.25Å; Q32-T36 VanDerWaalsContact O-N 3.13Å; Q32-T36 PolarHBondContact O-OG1 3.37Å; Q32-D234 HydrophobicContact CG-CB 4.43Å; Q32-A237 HydrophobicContact CG-CB 4.24Å
33	Q	86.3	Confident	75.9	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.7	-75.2	-176	16	0	0	111.5	W29 K35 T36 F37 L124 D234	W29-Q33 PolarHBondContact O-N 3.5Å; Q33-K35 PolarHBondContact O-N 3.35Å; Q33-T36 PolarHBondContact O-N 3.3Å; Q33-F37 HydrophobicContact CB-CD2 4.29Å; Q33-F37 HydrophobicContact CB-CE2 4.04Å; Q33-F37 HydrophobicContact CB-CZ 4.29Å; Q33-F37 HydrophobicContact CG-CE2 4.28Å; Q33-F37 HydrophobicContact CG-CZ 4.14Å; Q33-F37 VanDerWaalsContact O-CB 3.27Å; Q33-F37 WeakPolarHBondContact O-CB 3.29Å; Q33-F37 VanDerWaalsContact O-CG 3.29Å; Q33-F37 WeakPolarHBondContact O-CG 3.34Å; Q33-F37 PolarHBondContact O-N 3.03Å; Q33-L124 HydrophobicContact CB-CD1 4.34Å; Q33-L124 HydrophobicContact CB-CD2 4.49Å; Q33-D234 HydrophobicContact CG-CB 4.49Å; Q33-D234 WeakPolarHBondContact CG-OD2 3.45Å; Q33-D234 VanDerWaalsContact NE2-CG 3.28Å; Q33-D234 PolarHBondContact NE2-OD1 3.5Å; Q33-D234 PolarHBondContact NE2-OD2 3.1Å
34	R	86.4	Confident	78.6	Confident	96 Å²	96	54.4 Å²	54.4	36%	0.362	28%	0.276	S	S	.	.	H	α-helix	trans	-55.6	-48.8	178	-174.3	167.8	72.9	-171.1	2.9	112	E30 Q32 T38 I55 E56 L124	E30-R34 VanDerWaalsContact O-CB 3.27Å; E30-R34 WeakPolarHBondContact O-CB 3.08Å; E30-R34 PolarHBondContact O-N 2.91Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.36Å; R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.01Å; R34-T38 PolarHBondContact O-OG1 2.61Å; R34-I55 HydrophobicContact CG-CG2 3.68Å; R34-E56 WeakPolarHBondContact CD-OE1 3.41Å; R34-E56 IonicContact CZ-OE1 3.62Å; R34-E56 IonicContact NE-OE1 2.85Å; R34-E56 IonicContact NH1-OE1 3.77Å; R34-E56 PolarHBondContact NH1-OE1 3.19Å; R34-L124 HydrophobicContact CB-CD2 4.4Å
35	K	85.4	Confident	80.5	Confident	73 Å²	73	45.7 Å²	45.7	32%	0.317	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-49.3	177.8	-70.7	178.4	172.1	-174.3	0	112	K31 Q32 Q33 T38 A39 D223 D226	K31-K35 PolarHBondContact O-N 3.39Å; Q32-K35 PolarHBondContact O-N 3.31Å; Q33-K35 PolarHBondContact O-N 3.35Å; K35-T38 PolarHBondContact O-N 3.48Å; K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.73Å; K35-D223 VanDerWaalsContact CD-OD2 3.23Å; K35-D223 WeakPolarHBondContact CD-OD2 3.47Å; K35-D223 WeakPolarHBondContact CE-OD2 3.25Å; K35-D223 IonicContact NZ-OD2 3.63Å; K35-D223 PolarHBondContact NZ-OD2 3.2Å; K35-D226 WeakPolarHBondContact CD-OD2 2.98Å; K35-D226 WeakPolarHBondContact CE-OD2 3.46Å; K35-D226 IonicContact NZ-OD1 3.66Å; K35-D226 IonicContact NZ-OD2 3.2Å; K35-D226 PolarHBondContact NZ-OD2 3.25Å
36	T	87.1	Confident	82.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-46.9	-175.7	-43.8	0	0	0	0	112.4	Q32 Q33 A39 W40 M221 L222 A237 T240	Q32-T36 PolarHBondContact O-N 3.25Å; Q32-T36 VanDerWaalsContact O-N 3.13Å; Q32-T36 PolarHBondContact O-OG1 3.37Å; Q33-T36 PolarHBondContact O-N 3.3Å; T36-A39 PolarHBondContact O-N 2.85Å; T36-W40 WeakPolarHBondContact O-CB 3.36Å; T36-W40 PolarHBondContact O-N 3.04Å; T36-M221 WeakPolarHBondContact CA-O 3.47Å; T36-M221 HydrophobicContact CG2-CB 3.72Å; T36-M221 PolarHBondContact OG1-O 3.06Å; T36-L222 HydrophobicContact CG2-CD2 3.92Å; T36-L222 HydrophobicContact CG2-CG 4.49Å; T36-L222 WeakPolarHBondContact OG1-CD2 3.33Å; T36-A237 HydrophobicContact CG2-CB 4.13Å; T36-A237 WeakPolarHBondContact OG1-CB 2.9Å; T36-T240 HydrophobicContact CG2-CG2 4.43Å
37	F	92.2	Very high	84	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-36.8	-179.9	-66.3	-5.6	0	0	0	111.2	Q33 W40 C41 I55 L124 I127 W128 I131 K236	Q33-F37 HydrophobicContact CB-CD2 4.29Å; Q33-F37 HydrophobicContact CB-CE2 4.04Å; Q33-F37 HydrophobicContact CB-CZ 4.29Å; Q33-F37 HydrophobicContact CG-CE2 4.28Å; Q33-F37 HydrophobicContact CG-CZ 4.14Å; Q33-F37 VanDerWaalsContact O-CB 3.27Å; Q33-F37 WeakPolarHBondContact O-CB 3.29Å; Q33-F37 VanDerWaalsContact O-CG 3.29Å; Q33-F37 WeakPolarHBondContact O-CG 3.34Å; Q33-F37 PolarHBondContact O-N 3.03Å; F37-W40 PolarHBondContact O-N 2.83Å; F37-C41 WeakPolarHBondContact O-CB 3.32Å; F37-C41 PolarHBondContact O-N 3.46Å; F37-C41 PolarHBondContact O-SG 3.22Å; F37-I55 HydrophobicContact CB-CD1 3.75Å; F37-L124 HydrophobicContact CD2-CB 4.36Å; F37-L124 HydrophobicContact CD2-CD2 3.76Å; F37-L124 HydrophobicContact CE2-CB 4.36Å; F37-L124 HydrophobicContact CE2-CD2 4.46Å; F37-L124 WeakPolarHBondContact CE2-O 3.1Å; F37-I127 HydrophobicContact CB-CG2 3.82Å; F37-I127 HydrophobicContact CD2-CB 4.28Å; F37-I127 HydrophobicContact CD2-CG2 4.11Å; F37-I127 HydrophobicContact CG-CG2 4.02Å; F37-W128 HydrophobicContact CE1-CE3 4.1Å; F37-W128 HydrophobicContact CE2-CB 3.96Å; F37-W128 HydrophobicContact CZ-CB 3.94Å; F37-W128 HydrophobicContact CZ-CD2 4.43Å; F37-W128 AromaticContact CZ-CE3 3.85Å; F37-W128 HydrophobicContact CZ-CE3 3.85Å; F37-I131 HydrophobicContact CD1-CD1 3.49Å; F37-I131 VanDerWaalsContact CD1-CD1 3.49Å; F37-I131 HydrophobicContact CE1-CD1 3.78Å; F37-I131 HydrophobicContact CG-CD1 4.03Å; F37-K236 HydrophobicContact CE1-CB 4.44Å; F37-K236 HydrophobicContact CZ-CB 4.02Å
38	T	89.8	Confident	84.9	Confident	20 Å²	20	42.9 Å²	42.9	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-49.2	172.7	-58.6	0	0	0	0	110.8	R34 K35 W40 C41 N42 I52	R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.01Å; R34-T38 PolarHBondContact O-OG1 2.61Å; K35-T38 PolarHBondContact O-N 3.48Å; T38-W40 PolarHBondContact O-N 3.45Å; T38-C41 PolarHBondContact O-N 3.14Å; T38-N42 WeakPolarHBondContact O-CB 3.3Å; T38-N42 PolarHBondContact O-N 3.24Å; T38-N42 PolarHBondContact O-ND2 3.36Å; T38-I52 HydrophobicContact CG2-CD1 4.07Å; T38-I52 HydrophobicContact CG2-CG1 3.98Å
39	A	87.5	Confident	85.7	Confident	21 Å²	21	45.2 Å²	45.2	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-40	178.7	0	0	0	0	0	112.4	K35 T36 N42 S43 M221	K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 2.73Å; T36-A39 PolarHBondContact O-N 2.85Å; A39-N42 PolarHBondContact O-N 3.06Å; A39-S43 PolarHBondContact O-N 3.13Å; A39-M221 HydrophobicContact CB-CB 3.92Å; A39-M221 HydrophobicContact CB-CG 3.82Å
40	W	90.3	Very high	86.2	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.011	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-48.9	175	-177.9	84.1	0	0	0	111.7	T36 F37 T38 N42 S43 H44 L68 I72 I130 I131 A135 M221 T240	T36-W40 WeakPolarHBondContact O-CB 3.36Å; T36-W40 PolarHBondContact O-N 3.04Å; F37-W40 PolarHBondContact O-N 2.83Å; T38-W40 PolarHBondContact O-N 3.45Å; W40-N42 VanDerWaalsContact C-N 3.3Å; W40-N42 PolarHBondContact O-N 3.38Å; W40-S43 WeakPolarHBondContact O-CB 3.17Å; W40-S43 PolarHBondContact O-N 3.05Å; W40-S43 VanDerWaalsContact O-N 3.11Å; W40-S43 PolarHBondContact O-OG 2.74Å; W40-H44 AromaticContact CE2-CD2 3.59Å; W40-H44 AromaticContact CE2-NE2 3.47Å; W40-H44 AromaticContact CZ2-CD2 3.7Å; W40-H44 AromaticContact CZ2-NE2 3.52Å; W40-H44 AromaticContact NE1-CD2 3.9Å; W40-H44 AromaticContact NE1-NE2 3.47Å; W40-H44 PolarHBondContact NE1-NE2 2.78Å; W40-H44 PolarHBondContact O-CD2 3.24Å; W40-H44 PolarHBondContact O-N 3.11Å; W40-L68 HydrophobicContact CZ3-CD1 4.48Å; W40-L68 HydrophobicContact CZ3-CD2 4.23Å; W40-I72 HydrophobicContact CH2-CD1 4.42Å; W40-I72 HydrophobicContact CH2-CG2 4.33Å; W40-I130 HydrophobicContact CH2-CG2 4.11Å; W40-I130 HydrophobicContact CZ3-CG2 4.37Å; W40-I131 HydrophobicContact CD2-CD1 3.91Å; W40-I131 HydrophobicContact CD2-CG1 3.53Å; W40-I131 HydrophobicContact CE3-CD1 3.79Å; W40-I131 HydrophobicContact CE3-CG1 3.4Å; W40-I131 HydrophobicContact CG-CD1 4.23Å; W40-I131 HydrophobicContact CG-CG1 4.26Å; W40-I131 HydrophobicContact CH2-CG1 3.72Å; W40-I131 HydrophobicContact CZ2-CB 4.48Å; W40-I131 HydrophobicContact CZ2-CG1 3.84Å; W40-I131 HydrophobicContact CZ3-CD1 4.3Å; W40-I131 HydrophobicContact CZ3-CG1 3.49Å; W40-I131 VanDerWaalsContact CZ3-CG1 3.49Å; W40-A135 HydrophobicContact CZ2-CB 4.28Å; W40-M221 HydrophobicContact CB-CE 4.32Å; W40-M221 HydrophobicContact CB-SD 3.75Å; W40-M221 HydrophobicContact CG-SD 4.28Å; W40-T240 HydrophobicContact CB-CG2 3.87Å; W40-T240 VanDerWaalsContact CD1-CG2 3.49Å; W40-T240 HydrophobicContact CG-CG2 3.68Å
41	C	90.5	Very high	86.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-44.7	175.2	-69.9	0	0	0	0	111.1	F37 T38 S43 H44 L45 I52 F59 L68	F37-C41 WeakPolarHBondContact O-CB 3.32Å; F37-C41 PolarHBondContact O-N 3.46Å; F37-C41 PolarHBondContact O-SG 3.22Å; T38-C41 PolarHBondContact O-N 3.14Å; C41-S43 VanDerWaalsContact C-N 3.32Å; C41-S43 PolarHBondContact O-N 3.46Å; C41-H44 PolarHBondContact O-N 3.38Å; C41-L45 WeakPolarHBondContact O-CB 3.17Å; C41-L45 WeakPolarHBondContact O-CG 3.49Å; C41-L45 PolarHBondContact O-N 2.98Å; C41-I52 HydrophobicContact CB-CD1 3.81Å; C41-I52 HydrophobicContact CB-CG1 4.35Å; C41-F59 HydrophobicContact CB-CZ 4.12Å; C41-L68 HydrophobicContact CB-CD2 4.18Å; C41-L68 VanDerWaalsContact SG-CD2 3.55Å
42	N	90.1	Very high	87.2	Confident	35 Å²	35	41.2 Å²	41.2	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-32.5	177.5	-74.8	-21.3	0	0	0	113.2	T38 A39 W40 H44 L45 R46 Q51 I52	T38-N42 WeakPolarHBondContact O-CB 3.3Å; T38-N42 PolarHBondContact O-N 3.24Å; T38-N42 PolarHBondContact O-ND2 3.36Å; A39-N42 PolarHBondContact O-N 3.06Å; W40-N42 VanDerWaalsContact C-N 3.3Å; W40-N42 PolarHBondContact O-N 3.38Å; N42-H44 PolarHBondContact O-N 2.92Å; N42-L45 PolarHBondContact O-N 3.44Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 WeakPolarHBondContact O-CG 3.44Å; N42-R46 PolarHBondContact O-N 3.11Å; N42-Q51 WeakPolarHBondContact OD1-CA 3.35Å; N42-I52 PolarHBondContact ND2-O 3.05Å; N42-I52 WeakPolarHBondContact OD1-CG1 3.49Å; N42-I52 PolarHBondContact OD1-N 2.97Å
43	S	87.2	Confident	87.4	Confident	12 Å²	12	49 Å²	49	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-28.2	175.5	83.4	0	0	0	0	113.5	A39 W40 C41 R46 P219	A39-S43 PolarHBondContact O-N 3.13Å; W40-S43 WeakPolarHBondContact O-CB 3.17Å; W40-S43 PolarHBondContact O-N 3.05Å; W40-S43 VanDerWaalsContact O-N 3.11Å; W40-S43 PolarHBondContact O-OG 2.74Å; C41-S43 VanDerWaalsContact C-N 3.32Å; C41-S43 PolarHBondContact O-N 3.46Å; S43-R46 WeakPolarHBondContact O-CG 3.4Å; S43-R46 PolarHBondContact O-NE 3.08Å; S43-R46 VanDerWaalsContact O-NE 3.09Å; S43-P219 VanDerWaalsContact CB-CG 3.41Å
44	H	87.1	Confident	87.4	Confident	39 Å²	39	51.1 Å²	51.1	18%	0.181	27%	0.266	C	S	.	.	H	α-helix	trans	-93.6	-46.6	175.7	-69.8	-75	0	0	0	111.4	W40 C41 N42 R46 K47 L68 V71 I72	W40-H44 AromaticContact CE2-CD2 3.59Å; W40-H44 AromaticContact CE2-NE2 3.47Å; W40-H44 AromaticContact CZ2-CD2 3.7Å; W40-H44 AromaticContact CZ2-NE2 3.52Å; W40-H44 AromaticContact NE1-CD2 3.9Å; W40-H44 AromaticContact NE1-NE2 3.47Å; W40-H44 PolarHBondContact NE1-NE2 2.78Å; W40-H44 PolarHBondContact O-CD2 3.24Å; W40-H44 PolarHBondContact O-N 3.11Å; C41-H44 PolarHBondContact O-N 3.38Å; N42-H44 PolarHBondContact O-N 2.92Å; H44-R46 VanDerWaalsContact C-N 3.26Å; H44-R46 PolarHBondContact O-N 3.49Å; H44-K47 VanDerWaalsContact O-CB 3.31Å; H44-K47 WeakPolarHBondContact O-CB 3.25Å; H44-K47 PolarHBondContact O-N 3.14Å; H44-L68 HydrophobicContact CB-CD1 3.74Å; H44-V71 HydrophobicContact CB-CG1 4.28Å; H44-I72 HydrophobicContact CB-CG2 4.1Å
45	L	87.4	Confident	87.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-27.6	-179	-71.9	174.6	0	0	0	113.5	C41 N42 K47 A48 G49 T50 I52 L67 L68	C41-L45 WeakPolarHBondContact O-CB 3.17Å; C41-L45 WeakPolarHBondContact O-CG 3.49Å; C41-L45 PolarHBondContact O-N 2.98Å; N42-L45 PolarHBondContact O-N 3.44Å; L45-K47 PolarHBondContact O-N 3.19Å; L45-K47 VanDerWaalsContact O-N 3.17Å; L45-A48 CarbonylContact O-C 3.54Å; L45-A48 WeakPolarHBondContact O-CA 3.48Å; L45-A48 PolarHBondContact O-N 3.18Å; L45-G49 PolarHBondContact O-N 3.09Å; L45-G49 VanDerWaalsContact O-N 3.13Å; L45-T50 CarbonylContact C-O 3.43Å; L45-T50 HydrophobicContact CB-CG2 3.99Å; L45-T50 VanDerWaalsContact CB-O 3.29Å; L45-T50 WeakPolarHBondContact CB-O 3.47Å; L45-T50 HydrophobicContact CD2-CG2 3.86Å; L45-T50 HydrophobicContact CG-CG2 4.34Å; L45-T50 PolarHBondContact O-N 3.07Å; L45-T50 VanDerWaalsContact O-O 3.13Å; L45-I52 HydrophobicContact CD1-CG2 4.11Å; L45-L67 HydrophobicContact CD2-CB 4.46Å; L45-L67 HydrophobicContact CD2-CD2 4.35Å; L45-L67 HydrophobicContact CD2-CG 4.27Å; L45-L68 HydrophobicContact CD2-CB 3.97Å; L45-L68 HydrophobicContact CD2-CD1 4.42Å; L45-L68 HydrophobicContact CG-CB 4.43Å; L45-L68 HydrophobicContact CG-CD1 4.15Å
46	R	85.6	Confident	87.2	Confident	113 Å²	113	45 Å²	45	43%	0.426	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56.2	-31.1	172.1	69.5	-177.8	176.9	156	5.2	112.6	N42 S43 H44 A48 G49 T50 D217	N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 WeakPolarHBondContact O-CG 3.44Å; N42-R46 PolarHBondContact O-N 3.11Å; S43-R46 WeakPolarHBondContact O-CG 3.4Å; S43-R46 PolarHBondContact O-NE 3.08Å; S43-R46 VanDerWaalsContact O-NE 3.09Å; H44-R46 VanDerWaalsContact C-N 3.26Å; H44-R46 PolarHBondContact O-N 3.49Å; R46-A48 PolarHBondContact O-N 2.95Å; R46-G49 PolarHBondContact O-N 3.48Å; R46-G49 VanDerWaalsContact O-N 3.16Å; R46-T50 PolarHBondContact N-O 3.47Å; R46-D217 IonicContact CZ-OD1 3.24Å; R46-D217 IonicContact CZ-OD2 2.79Å; R46-D217 IonicContact NH1-OD1 3.09Å; R46-D217 PolarHBondContact NH1-OD1 3.38Å; R46-D217 PolarHBondContact NH2-O 3.09Å; R46-D217 IonicContact NH2-OD1 2.6Å; R46-D217 PolarHBondContact NH2-OD1 3.26Å; R46-D217 IonicContact NH2-OD2 3.63Å; R46-D217 PolarHBondContact NH2-OD2 2.88Å
47	K	81.1	Confident	87.1	Confident	152 Å²	152	50.9 Å²	50.9	66%	0.661	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-69.4	-23.6	176.6	-58.6	-179.3	179.7	179.5	0	112.6	H44 L45 V71	H44-K47 VanDerWaalsContact O-CB 3.31Å; H44-K47 WeakPolarHBondContact O-CB 3.25Å; H44-K47 PolarHBondContact O-N 3.14Å; L45-K47 PolarHBondContact O-N 3.19Å; L45-K47 VanDerWaalsContact O-N 3.17Å; K47-V71 HydrophobicContact CB-CG1 4.38Å
48	A	81.9	Confident	87	Confident	44 Å²	44	52.6 Å²	52.6	36%	0.364	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-100.6	7	174.2	0	0	0	0	0	113.1	L45 R46 L67 V71	L45-A48 CarbonylContact O-C 3.54Å; L45-A48 WeakPolarHBondContact O-CA 3.48Å; L45-A48 PolarHBondContact O-N 3.18Å; R46-A48 PolarHBondContact O-N 2.95Å; A48-L67 HydrophobicContact CB-CD1 4.24Å; A48-L67 HydrophobicContact CB-CD2 4.05Å; A48-L67 HydrophobicContact CB-CG 4.18Å; A48-V71 HydrophobicContact CB-CG2 3.72Å
49	G	84	Confident	87	Confident	73 Å²	73	51.7 Å²	51.7	75%	0.753	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	23.2	175.4	0	0	0	0	0	115.5	L45 R46	L45-G49 PolarHBondContact O-N 3.09Å; L45-G49 VanDerWaalsContact O-N 3.13Å; R46-G49 PolarHBondContact O-N 3.48Å; R46-G49 VanDerWaalsContact O-N 3.16Å
50	T	89.1	Confident	87.2	Confident	45 Å²	45	54.6 Å²	54.6	28%	0.276	28%	0.28	S	S	.	.			trans	-133.5	166.2	176.9	-170.3	0	0	0	0	112	L45 R46 L67	L45-T50 CarbonylContact C-O 3.43Å; L45-T50 HydrophobicContact CB-CG2 3.99Å; L45-T50 VanDerWaalsContact CB-O 3.29Å; L45-T50 WeakPolarHBondContact CB-O 3.47Å; L45-T50 HydrophobicContact CD2-CG2 3.86Å; L45-T50 HydrophobicContact CG-CG2 4.34Å; L45-T50 PolarHBondContact O-N 3.07Å; L45-T50 VanDerWaalsContact O-O 3.13Å; R46-T50 PolarHBondContact N-O 3.47Å; T50-L67 HydrophobicContact CG2-CD2 3.64Å
51	Q	89.6	Confident	87	Confident	122 Å²	122	56.9 Å²	56.9	57%	0.57	29%	0.292	S	S	*	.			trans	-146.3	164.6	175.5	66.4	-174.8	5.1	0	0	112.7	N42 K64	N42-Q51 WeakPolarHBondContact OD1-CA 3.35Å; Q51-K64 PolarHBondContact O-NZ 3.01Å
52	I	90.6	Very high	86.8	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.015	29%	0.292	C	S	.	.			trans	-114.1	139.3	171	56.5	164	0	0	0	110.5	T38 C41 N42 L45 I55 D58 F59 K64	T38-I52 HydrophobicContact CG2-CD1 4.07Å; T38-I52 HydrophobicContact CG2-CG1 3.98Å; C41-I52 HydrophobicContact CB-CD1 3.81Å; C41-I52 HydrophobicContact CB-CG1 4.35Å; N42-I52 PolarHBondContact ND2-O 3.05Å; N42-I52 WeakPolarHBondContact OD1-CG1 3.49Å; N42-I52 PolarHBondContact OD1-N 2.97Å; L45-I52 HydrophobicContact CD1-CG2 4.11Å; I52-I55 HydrophobicContact CD1-CB 4.32Å; I52-I55 HydrophobicContact CD1-CG1 3.99Å; I52-D58 WeakPolarHBondContact CA-OD2 3.42Å; I52-D58 HydrophobicContact CB-CB 3.87Å; I52-D58 HydrophobicContact CG2-CB 3.58Å; I52-F59 HydrophobicContact CD1-CE1 4.5Å; I52-F59 HydrophobicContact CD1-CE2 3.72Å; I52-F59 HydrophobicContact CD1-CZ 3.69Å; I52-F59 HydrophobicContact CG2-CE1 4.26Å; I52-F59 HydrophobicContact CG2-CZ 4.45Å; I52-K64 HydrophobicContact CG2-CB 4.33Å; I52-K64 HydrophobicContact CG2-CD 3.42Å; I52-K64 VanDerWaalsContact CG2-CD 3.42Å
53	E	87.2	Confident	86.8	Confident	168 Å²	168	58.2 Å²	58.2	79%	0.785	30%	0.299	S	S	*	.	S	Bend	trans	-101.5	-43.4	176	-66.1	-176.3	-178.2	0	0	110.6	D58	E53-D58 PolarHBondContact N-OD2 3.4Å
54	N	85.7	Confident	86.9	Confident	54 Å²	54	60 Å²	60	29%	0.289	31%	0.305	S	S	.	.			trans	-126.9	107.4	177.8	-173.1	-12.2	0	0	0	110.3	E56 E57 D58	N54-E56 PolarHBondContact O-N 2.67Å; N54-E56 VanDerWaalsContact O-N 3.08Å; N54-E56 WeakPolarHBondContact OD1-CB 3.5Å; N54-E56 PolarHBondContact OD1-N 2.78Å; N54-E56 VanDerWaalsContact OD1-N 3.08Å; N54-E57 HydrophobicContact CB-CB 4.42Å; N54-E57 PolarHBondContact O-N 3.19Å; N54-D58 PolarHBondContact N-OD2 3.21Å; N54-D58 VanDerWaalsContact O-CB 3.27Å; N54-D58 WeakPolarHBondContact O-CB 3.26Å; N54-D58 PolarHBondContact O-N 3.42Å
55	I	85.8	Confident	87.1	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-27.3	-178.1	-154.4	168.7	0	0	0	113.6	R34 F37 I52 F59 L124 I127	R34-I55 HydrophobicContact CG-CG2 3.68Å; F37-I55 HydrophobicContact CB-CD1 3.75Å; I52-I55 HydrophobicContact CD1-CB 4.32Å; I52-I55 HydrophobicContact CD1-CG1 3.99Å; I55-F59 HydrophobicContact CD1-CE2 4.09Å; I55-F59 HydrophobicContact CG1-CD2 3.6Å; I55-F59 HydrophobicContact CG1-CE2 3.49Å; I55-F59 VanDerWaalsContact CG1-CE2 3.49Å; I55-L124 HydrophobicContact CD1-CD2 4.27Å; I55-L124 HydrophobicContact CG2-CD2 4.23Å; I55-I127 HydrophobicContact CD1-CG1 4.22Å
56	E	81.4	Confident	87.2	Confident	39 Å²	39	58.4 Å²	58.4	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-77.3	-27.1	-177.5	-57.4	171.5	-162.7	0	0	111.9	R34 N54 R60 V120	R34-E56 WeakPolarHBondContact CD-OE1 3.41Å; R34-E56 IonicContact CZ-OE1 3.62Å; R34-E56 IonicContact NE-OE1 2.85Å; R34-E56 IonicContact NH1-OE1 3.77Å; R34-E56 PolarHBondContact NH1-OE1 3.19Å; N54-E56 PolarHBondContact O-N 2.67Å; N54-E56 VanDerWaalsContact O-N 3.08Å; N54-E56 WeakPolarHBondContact OD1-CB 3.5Å; N54-E56 PolarHBondContact OD1-N 2.78Å; N54-E56 VanDerWaalsContact OD1-N 3.08Å; E56-R60 VanDerWaalsContact O-CD 3.23Å; E56-R60 WeakPolarHBondContact O-CD 3.34Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E56-V120 HydrophobicContact CB-CG2 4.31Å; E56-V120 HydrophobicContact CG-CB 4.19Å; E56-V120 HydrophobicContact CG-CG1 3.86Å; E56-V120 HydrophobicContact CG-CG2 3.63Å; E56-V120 WeakPolarHBondContact OE1-CG1 3.46Å; E56-V120 VanDerWaalsContact OE2-CG2 3.3Å; E56-V120 WeakPolarHBondContact OE2-CG2 3.31Å
57	E	85.4	Confident	87.4	Confident	124 Å²	124	55.7 Å²	55.7	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-104.5	-41.9	-177.1	-65.7	-162.7	153.4	0	0	112.5	N54 F59 R60	N54-E57 HydrophobicContact CB-CB 4.42Å; N54-E57 PolarHBondContact O-N 3.19Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 3.14Å; E57-R60 VanDerWaalsContact O-CB 3.31Å; E57-R60 WeakPolarHBondContact O-CB 3.05Å; E57-R60 VanDerWaalsContact O-CG 3.3Å; E57-R60 WeakPolarHBondContact O-CG 3.28Å; E57-R60 PolarHBondContact O-N 3.23Å; E57-R60 VanDerWaalsContact O-N 3.15Å
58	D	89.4	Confident	87.8	Confident	37 Å²	37	48.4 Å²	48.4	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-21.9	-171.2	-84.1	-50.5	0	0	0	114.2	I52 E53 N54 K64	I52-D58 WeakPolarHBondContact CA-OD2 3.42Å; I52-D58 HydrophobicContact CB-CB 3.87Å; I52-D58 HydrophobicContact CG2-CB 3.58Å; E53-D58 PolarHBondContact N-OD2 3.4Å; N54-D58 PolarHBondContact N-OD2 3.21Å; N54-D58 VanDerWaalsContact O-CB 3.27Å; N54-D58 WeakPolarHBondContact O-CB 3.26Å; N54-D58 PolarHBondContact O-N 3.42Å; D58-K64 HydrophobicContact CB-CD 4.2Å; D58-K64 IonicContact OD1-NZ 2.7Å; D58-K64 PolarHBondContact OD1-NZ 3.41Å; D58-K64 IonicContact OD2-NZ 2.81Å
59	F	90.8	Very high	88.1	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.2	175.4	-71.9	-42.7	0	0	0	113.9	C41 I52 I55 E57 D61 G62 K64 L65 L68 T123 I127	C41-F59 HydrophobicContact CB-CZ 4.12Å; I52-F59 HydrophobicContact CD1-CE1 4.5Å; I52-F59 HydrophobicContact CD1-CE2 3.72Å; I52-F59 HydrophobicContact CD1-CZ 3.69Å; I52-F59 HydrophobicContact CG2-CE1 4.26Å; I52-F59 HydrophobicContact CG2-CZ 4.45Å; I55-F59 HydrophobicContact CD1-CE2 4.09Å; I55-F59 HydrophobicContact CG1-CD2 3.6Å; I55-F59 HydrophobicContact CG1-CE2 3.49Å; I55-F59 VanDerWaalsContact CG1-CE2 3.49Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 3.14Å; F59-D61 PolarHBondContact O-N 3.03Å; F59-D61 VanDerWaalsContact O-N 3.16Å; F59-G62 PolarHBondContact O-N 2.88Å; F59-K64 HydrophobicContact CD1-CB 4Å; F59-K64 HydrophobicContact CE1-CB 3.98Å; F59-L65 HydrophobicContact CD1-CB 3.86Å; F59-L65 HydrophobicContact CE1-CB 4.33Å; F59-L68 HydrophobicContact CZ-CD2 4.13Å; F59-T123 HydrophobicContact CD2-CG2 4.33Å; F59-I127 HydrophobicContact CD2-CD1 4Å; F59-I127 HydrophobicContact CD2-CG1 4.34Å; F59-I127 HydrophobicContact CE2-CD1 3.48Å; F59-I127 VanDerWaalsContact CE2-CD1 3.48Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CD1 3.99Å
60	R	90.3	Very high	88.4	Confident	81 Å²	81	45.5 Å²	45.5	31%	0.306	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22	-175.5	-62.4	-179.7	64.7	169.4	7.2	113.7	E56 E57 K89 I115 V116 D117	E56-R60 VanDerWaalsContact O-CD 3.23Å; E56-R60 WeakPolarHBondContact O-CD 3.34Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E57-R60 VanDerWaalsContact O-CB 3.31Å; E57-R60 WeakPolarHBondContact O-CB 3.05Å; E57-R60 VanDerWaalsContact O-CG 3.3Å; E57-R60 WeakPolarHBondContact O-CG 3.28Å; E57-R60 PolarHBondContact O-N 3.23Å; E57-R60 VanDerWaalsContact O-N 3.15Å; R60-K89 WeakPolarHBondContact O-CB 3.38Å; R60-I115 WeakPolarHBondContact CG-O 3.08Å; R60-V116 VanDerWaalsContact CZ-O 3.25Å; R60-V116 PolarHBondContact NE-O 3.28Å; R60-V116 PolarHBondContact NH2-O 3.39Å; R60-V116 WeakPolarHBondContact O-CG2 3.39Å; R60-D117 PolarHBondContact NH2-O 3.09Å
61	D	86.8	Confident	88.4	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.273	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.9	177.6	73.6	7.4	0	0	0	114.2	F59 L63 K89 N92	F59-D61 PolarHBondContact O-N 3.03Å; F59-D61 VanDerWaalsContact O-N 3.16Å; D61-L63 PolarHBondContact O-N 2.91Å; D61-L63 WeakPolarHBondContact OD1-CB 3.4Å; D61-L63 PolarHBondContact OD1-N 3.23Å; D61-K89 HydrophobicContact CB-CD 4.19Å; D61-K89 HydrophobicContact CB-CG 4.16Å; D61-N92 WeakPolarHBondContact O-CB 3.43Å; D61-N92 PolarHBondContact O-ND2 3.06Å
62	G	86.2	Confident	88.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	73.1	-11.2	-178.8	0	0	0	0	0	115.5	F59 L65 M66	F59-G62 PolarHBondContact O-N 2.88Å; G62-L65 PolarHBondContact O-N 3.48Å; G62-M66 VanDerWaalsContact O-CG 3.25Å; G62-M66 WeakPolarHBondContact O-CG 3.46Å; G62-M66 PolarHBondContact O-N 2.9Å
63	L	89.6	Confident	87.9	Confident	64 Å²	64	42.5 Å²	42.5	34%	0.335	21%	0.209	S	C	.	.	H	α-helix	trans	-70.3	-49.7	-172.9	-63.4	180	0	0	0	111.8	D61 L65 M66 L67 P80 N92	D61-L63 PolarHBondContact O-N 2.91Å; D61-L63 WeakPolarHBondContact OD1-CB 3.4Å; D61-L63 PolarHBondContact OD1-N 3.23Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.35Å; L63-M66 PolarHBondContact O-N 3.19Å; L63-L67 PolarHBondContact O-N 3.44Å; L63-P80 HydrophobicContact CD2-CB 3.31Å; L63-P80 HydrophobicContact CD2-CG 3.9Å; L63-N92 WeakPolarHBondContact CD2-ND2 3.24Å
64	K	90.3	Very high	87.7	Confident	48 Å²	48	38 Å²	38	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-30.1	178.5	-64.3	-170.6	-175.4	176.7	0	111.7	Q51 I52 D58 F59 L68	Q51-K64 PolarHBondContact O-NZ 3.01Å; I52-K64 HydrophobicContact CG2-CB 4.33Å; I52-K64 HydrophobicContact CG2-CD 3.42Å; I52-K64 VanDerWaalsContact CG2-CD 3.42Å; D58-K64 HydrophobicContact CB-CD 4.2Å; D58-K64 IonicContact OD1-NZ 2.7Å; D58-K64 PolarHBondContact OD1-NZ 3.41Å; D58-K64 IonicContact OD2-NZ 2.81Å; F59-K64 HydrophobicContact CD1-CB 4Å; F59-K64 HydrophobicContact CE1-CB 3.98Å; K64-L68 WeakPolarHBondContact O-CB 3.25Å; K64-L68 PolarHBondContact O-N 3.48Å
65	L	90.3	Very high	87.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-46.9	175.2	179.4	63.5	0	0	0	111.5	F59 G62 L63 L67 L68 L69 A96 M126 I127 I130	F59-L65 HydrophobicContact CD1-CB 3.86Å; F59-L65 HydrophobicContact CE1-CB 4.33Å; G62-L65 PolarHBondContact O-N 3.48Å; L63-L65 VanDerWaalsContact C-N 3.25Å; L63-L65 PolarHBondContact O-N 3.35Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.38Å; L65-L68 WeakPolarHBondContact O-CB 3.37Å; L65-L68 PolarHBondContact O-N 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.06Å; L65-L69 PolarHBondContact O-N 2.92Å; L65-L69 VanDerWaalsContact O-N 3.12Å; L65-A96 HydrophobicContact CD2-CB 3.68Å; L65-A96 HydrophobicContact CG-CB 3.85Å; L65-M126 HydrophobicContact CD1-CE 3.55Å; L65-M126 HydrophobicContact CD1-SD 4.28Å; L65-M126 HydrophobicContact CD2-CE 3.62Å; L65-M126 HydrophobicContact CD2-SD 3.65Å; L65-M126 HydrophobicContact CG-CE 4.22Å; L65-I127 HydrophobicContact CD1-CD1 4.1Å; L65-I130 HydrophobicContact CD1-CD1 3.89Å
66	M	90.1	Very high	87.3	Confident	6 Å²	6	51 Å²	51	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-45.5	175.8	-71.7	177.7	75.3	0	0	111.4	G62 L63 L68 L69 E70 L77 A78 P80 N92 K95 A96	G62-M66 VanDerWaalsContact O-CG 3.25Å; G62-M66 WeakPolarHBondContact O-CG 3.46Å; G62-M66 PolarHBondContact O-N 2.9Å; L63-M66 PolarHBondContact O-N 3.19Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.88Å; M66-L69 WeakPolarHBondContact O-CB 3.46Å; M66-L69 PolarHBondContact O-N 3.33Å; M66-E70 PolarHBondContact O-N 3.34Å; M66-L77 HydrophobicContact CB-CD2 4.4Å; M66-L77 HydrophobicContact CE-CB 4.17Å; M66-L77 HydrophobicContact CE-CD2 4.4Å; M66-L77 HydrophobicContact CG-CD2 4.37Å; M66-A78 WeakPolarHBondContact CE-O 3.23Å; M66-P80 HydrophobicContact CE-CB 4.37Å; M66-P80 HydrophobicContact SD-CB 4.01Å; M66-N92 HydrophobicContact SD-CB 3.96Å; M66-K95 HydrophobicContact CE-CB 3.87Å; M66-K95 HydrophobicContact CE-CD 4.08Å; M66-K95 HydrophobicContact SD-CB 4.25Å; M66-A96 HydrophobicContact CG-CB 3.87Å
67	L	89.4	Confident	87.5	Confident	56 Å²	56	50.1 Å²	50.1	29%	0.293	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-39.1	178.7	-175.3	63.4	0	0	0	112.2	L45 A48 T50 L63 L65 L69 E70 V71	L45-L67 HydrophobicContact CD2-CB 4.46Å; L45-L67 HydrophobicContact CD2-CD2 4.35Å; L45-L67 HydrophobicContact CD2-CG 4.27Å; A48-L67 HydrophobicContact CB-CD1 4.24Å; A48-L67 HydrophobicContact CB-CD2 4.05Å; A48-L67 HydrophobicContact CB-CG 4.18Å; T50-L67 HydrophobicContact CG2-CD2 3.64Å; L63-L67 PolarHBondContact O-N 3.44Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.38Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.4Å; L67-E70 PolarHBondContact O-N 3.18Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.31Å; L67-V71 VanDerWaalsContact O-N 3.07Å
68	L	90.3	Very high	87.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-44.8	173.9	177.1	64.9	0	0	0	111.1	W40 C41 H44 L45 F59 K64 L65 M66 E70 V71 I72 I127	W40-L68 HydrophobicContact CZ3-CD1 4.48Å; W40-L68 HydrophobicContact CZ3-CD2 4.23Å; C41-L68 HydrophobicContact CB-CD2 4.18Å; C41-L68 VanDerWaalsContact SG-CD2 3.55Å; H44-L68 HydrophobicContact CB-CD1 3.74Å; L45-L68 HydrophobicContact CD2-CB 3.97Å; L45-L68 HydrophobicContact CD2-CD1 4.42Å; L45-L68 HydrophobicContact CG-CB 4.43Å; L45-L68 HydrophobicContact CG-CD1 4.15Å; F59-L68 HydrophobicContact CZ-CD2 4.13Å; K64-L68 WeakPolarHBondContact O-CB 3.25Å; K64-L68 PolarHBondContact O-N 3.48Å; L65-L68 WeakPolarHBondContact O-CB 3.37Å; L65-L68 PolarHBondContact O-N 3.43Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.88Å; L68-E70 PolarHBondContact O-N 3.46Å; L68-V71 PolarHBondContact O-N 3.31Å; L68-I72 HydrophobicContact CD1-CG2 4.17Å; L68-I72 WeakPolarHBondContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG2 3.36Å; L68-I72 PolarHBondContact O-N 3.02Å; L68-I127 HydrophobicContact CD2-CD1 4.43Å
69	L	89	Confident	87	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-38.6	178.2	-68.2	171.7	0	0	0	112.7	L65 M66 L67 I72 S73 L77 A96 F99 I100 I130 F134	L65-L69 WeakPolarHBondContact O-CG 3.06Å; L65-L69 PolarHBondContact O-N 2.92Å; L65-L69 VanDerWaalsContact O-N 3.12Å; M66-L69 WeakPolarHBondContact O-CB 3.46Å; M66-L69 PolarHBondContact O-N 3.33Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.4Å; L69-I72 HydrophobicContact CD2-CD1 4.03Å; L69-I72 WeakPolarHBondContact O-CG1 3.49Å; L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.36Å; L69-S73 PolarHBondContact O-N 3.07Å; L69-S73 VanDerWaalsContact O-N 3.09Å; L69-S73 PolarHBondContact O-OG 3.17Å; L69-L77 HydrophobicContact CB-CD1 4.08Å; L69-L77 HydrophobicContact CB-CD2 4.26Å; L69-L77 HydrophobicContact CD1-CD2 4.15Å; L69-A96 HydrophobicContact CD1-CB 3.7Å; L69-A96 WeakPolarHBondContact CD1-O 3.45Å; L69-F99 HydrophobicContact CB-CD1 4.04Å; L69-F99 HydrophobicContact CB-CE1 4.15Å; L69-F99 HydrophobicContact CD1-CD1 4.08Å; L69-F99 HydrophobicContact CD2-CD1 4.42Å; L69-F99 HydrophobicContact CG-CD1 4.42Å; L69-I100 HydrophobicContact CD1-CD1 3.89Å; L69-I100 HydrophobicContact CD1-CG1 3.76Å; L69-I100 HydrophobicContact CD2-CD1 4.06Å; L69-I100 HydrophobicContact CD2-CG1 3.63Å; L69-I100 HydrophobicContact CG-CG1 4.36Å; L69-I130 HydrophobicContact CD2-CD1 4.09Å; L69-I130 HydrophobicContact CD2-CG1 4.3Å; L69-I130 HydrophobicContact CD2-CG2 4.13Å; L69-F134 HydrophobicContact CD2-CE2 4.38Å
70	E	89.3	Confident	86.7	Confident	55 Å²	55	57.2 Å²	57.2	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-45.2	174.7	-66.3	-171.2	151.8	0	0	111.3	M66 L67 L68 G74 E75 L77	M66-E70 PolarHBondContact O-N 3.34Å; L67-E70 PolarHBondContact O-N 3.18Å; L68-E70 PolarHBondContact O-N 3.46Å; E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 2.92Å; E70-E75 VanDerWaalsContact CA-O 3.25Å; E70-E75 WeakPolarHBondContact CA-O 3.48Å; E70-E75 WeakPolarHBondContact CB-O 3.25Å; E70-E75 WeakPolarHBondContact CG-O 3.35Å; E70-L77 HydrophobicContact CB-CD1 4.39Å; E70-L77 HydrophobicContact CG-CB 4.08Å; E70-L77 HydrophobicContact CG-CD1 3.48Å; E70-L77 VanDerWaalsContact CG-CD1 3.48Å; E70-L77 HydrophobicContact CG-CG 4.33Å; E70-L77 PolarHBondContact OE1-N 2.98Å
71	V	88.4	Confident	86.5	Confident	44 Å²	44	57.3 Å²	57.3	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-40.1	-177	174.2	0	0	0	0	112.2	H44 K47 A48 L67 L68	H44-V71 HydrophobicContact CB-CG1 4.28Å; K47-V71 HydrophobicContact CB-CG1 4.38Å; A48-V71 HydrophobicContact CB-CG2 3.72Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.31Å; L67-V71 VanDerWaalsContact O-N 3.07Å; L68-V71 PolarHBondContact O-N 3.31Å
72	I	87.5	Confident	86	Confident	32 Å²	32	66.1 Å²	66.1	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-78.5	-29	-178.6	67.4	-176.6	0	0	0	112.9	W40 H44 L68 L69 I130 F134	W40-I72 HydrophobicContact CH2-CD1 4.42Å; W40-I72 HydrophobicContact CH2-CG2 4.33Å; H44-I72 HydrophobicContact CB-CG2 4.1Å; L68-I72 HydrophobicContact CD1-CG2 4.17Å; L68-I72 WeakPolarHBondContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG2 3.36Å; L68-I72 PolarHBondContact O-N 3.02Å; L69-I72 HydrophobicContact CD2-CD1 4.03Å; L69-I72 WeakPolarHBondContact O-CG1 3.49Å; I72-I130 HydrophobicContact CD1-CG2 3.42Å; I72-I130 VanDerWaalsContact CD1-CG2 3.42Å; I72-F134 HydrophobicContact CD1-CB 4Å; I72-F134 HydrophobicContact CD1-CD1 4.25Å; I72-F134 HydrophobicContact CD1-CD2 3.64Å; I72-F134 HydrophobicContact CD1-CE2 4.12Å; I72-F134 HydrophobicContact CD1-CG 3.7Å; I72-F134 HydrophobicContact CG1-CB 4.44Å; I72-F134 HydrophobicContact CG1-CD1 4.17Å; I72-F134 HydrophobicContact CG1-CD2 4.4Å; I72-F134 HydrophobicContact CG1-CG 4.09Å
73	S	83.7	Confident	85.4	Confident	32 Å²	32	67.7 Å²	67.7	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-90.7	-24.9	180	65.3	0	0	0	0	113.7	L69 E75	L69-S73 VanDerWaalsContact O-CB 3.3Å; L69-S73 WeakPolarHBondContact O-CB 3.36Å; L69-S73 PolarHBondContact O-N 3.07Å; L69-S73 VanDerWaalsContact O-N 3.09Å; L69-S73 PolarHBondContact O-OG 3.17Å; S73-E75 PolarHBondContact O-N 2.81Å; S73-E75 PolarHBondContact OG-N 3.18Å
74	G	81.6	Confident	84.8	Confident	72 Å²	72	74.2 Å²	74.2	74%	0.742	37%	0.374	S	S	*	.	S	Bend	trans	75.8	4.2	-170.4	0	0	0	0	0	114.1	E70	E70-G74 WeakPolarHBondContact O-CA 3.31Å; E70-G74 PolarHBondContact O-N 2.92Å
75	E	83.9	Confident	84.5	Confident	94 Å²	94	78 Å²	78	44%	0.439	39%	0.394	S	S	.	.			trans	-106.5	148.8	-179.7	-67.7	177	-154.9	0	0	111.2	E70 S73 F99 K103	E70-E75 VanDerWaalsContact CA-O 3.25Å; E70-E75 WeakPolarHBondContact CA-O 3.48Å; E70-E75 WeakPolarHBondContact CB-O 3.25Å; E70-E75 WeakPolarHBondContact CG-O 3.35Å; S73-E75 PolarHBondContact O-N 2.81Å; S73-E75 PolarHBondContact OG-N 3.18Å; E75-F99 HydrophobicContact CB-CZ 4.4Å; E75-K103 IonicContact OE1-NZ 2.64Å; E75-K103 PolarHBondContact OE1-NZ 3.09Å; E75-K103 WeakPolarHBondContact OE2-CE 3.41Å; E75-K103 IonicContact OE2-NZ 2.81Å; E75-K103 PolarHBondContact OE2-NZ 3.25Å
76	R	80.2	Confident	84.3	Confident	234 Å²	234	84 Å²	84	88%	0.883	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-87.8	132.4	175.9	-70.7	-166.8	178.5	-174.4	0.3	111.2
77	L	85.3	Confident	84.1	Confident	21 Å²	21	88.1 Å²	88.1	11%	0.11	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-85.7	167.9	174.8	-85.7	78.7	0	0	0	110.9	M66 L69 E70 F99	M66-L77 HydrophobicContact CB-CD2 4.4Å; M66-L77 HydrophobicContact CE-CB 4.17Å; M66-L77 HydrophobicContact CE-CD2 4.4Å; M66-L77 HydrophobicContact CG-CD2 4.37Å; L69-L77 HydrophobicContact CB-CD1 4.08Å; L69-L77 HydrophobicContact CB-CD2 4.26Å; L69-L77 HydrophobicContact CD1-CD2 4.15Å; E70-L77 HydrophobicContact CB-CD1 4.39Å; E70-L77 HydrophobicContact CG-CB 4.08Å; E70-L77 HydrophobicContact CG-CD1 3.48Å; E70-L77 VanDerWaalsContact CG-CD1 3.48Å; E70-L77 HydrophobicContact CG-CG 4.33Å; E70-L77 PolarHBondContact OE1-N 2.98Å; L77-F99 HydrophobicContact CD1-CD1 3.98Å; L77-F99 HydrophobicContact CD1-CD2 3.95Å; L77-F99 HydrophobicContact CD1-CE1 3.92Å; L77-F99 HydrophobicContact CD1-CE2 3.89Å; L77-F99 HydrophobicContact CD1-CG 3.97Å; L77-F99 HydrophobicContact CD1-CZ 3.87Å; L77-F99 HydrophobicContact CD2-CB 3.78Å; L77-F99 HydrophobicContact CD2-CD1 4.2Å; L77-F99 HydrophobicContact CD2-CD2 4.33Å; L77-F99 HydrophobicContact CD2-CG 3.85Å; L77-F99 HydrophobicContact CG-CB 4.25Å; L77-F99 HydrophobicContact CG-CD1 4.35Å; L77-F99 HydrophobicContact CG-CD2 3.88Å; L77-F99 HydrophobicContact CG-CE2 4.28Å; L77-F99 HydrophobicContact CG-CG 3.9Å
78	A	81.1	Confident	84	Confident	66 Å²	66	88.2 Å²	88.2	55%	0.545	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-59.9	145.9	174.2	0	0	0	0	0	111.2	M66	M66-A78 WeakPolarHBondContact CE-O 3.23Å
79	K	82.5	Confident	84	Confident	187 Å²	187	91.4 Å²	91.4	81%	0.813	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-56.8	133.7	-176.1	-73.5	-176.9	179.7	176	0	111.6	K95	K79-K95 PolarHBondContact O-NZ 3.31Å
80	P	85.9	Confident	84	Confident	58 Å²	58	92.6 Å²	92.6	38%	0.377	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-75.4	149.7	179.2	28.1	-33.2	0	0	0	112.6	L63 M66 N92	L63-P80 HydrophobicContact CD2-CB 3.31Å; L63-P80 HydrophobicContact CD2-CG 3.9Å; M66-P80 HydrophobicContact CE-CB 4.37Å; M66-P80 HydrophobicContact SD-CB 4.01Å; P80-N92 WeakPolarHBondContact CA-OD1 3.17Å
81	E	84.8	Confident	84	Confident	84 Å²	84	92 Å²	92	39%	0.393	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-76	130.4	170.4	-57.1	-53.4	142.4	0	0	110.1	H88 N92 K95	E81-H88 HydrophobicContact CB-CB 4.14Å; E81-N92 PolarHBondContact N-OD1 2.87Å; E81-N92 PolarHBondContact O-ND2 2.85Å; E81-K95 IonicContact OE1-NZ 3.85Å; E81-K95 PolarHBondContact OE1-NZ 3.39Å
82	R	75.9	Confident	84.2	Confident	236 Å²	236	90.1 Å²	90.1	89%	0.891	45%	0.451	S	S	*	.			trans	-95.1	6.3	-173.4	-65.9	-175.8	175.8	-176.4	-2.9	115.1
83	G	74.3	Confident	84.3	Confident	32 Å²	32	88.6 Å²	88.6	33%	0.33	44%	0.443	S	S	.	.			trans	-83.2	152	-174.2	0	0	0	0	0	114.2	H88	G83-H88 VanDerWaalsContact CA-ND1 3.32Å; G83-H88 WeakPolarHBondContact CA-ND1 3.41Å; G83-H88 WeakPolarHBondContact O-CB 3.39Å
84	K	76.4	Confident	84.7	Confident	202 Å²	202	90 Å²	90	88%	0.878	45%	0.448	S	S	*	.			trans	-82.9	-13.9	-175.8	-65.6	-174.3	178.8	-177.3	0	115.3
85	M	84.3	Confident	85.1	Confident	128 Å²	128	89 Å²	89	63%	0.631	42%	0.423	S	S	*	.	S	Bend	trans	-67.7	147.9	-179.3	-61.7	179.8	67	0	0	112.4	V87 H88 K89	M85-V87 HydrophobicContact CB-CG1 4.12Å; M85-V87 PolarHBondContact O-N 3.31Å; M85-V87 VanDerWaalsContact O-N 3.13Å; M85-H88 PolarHBondContact O-N 2.7Å; M85-K89 PolarHBondContact O-N 3.21Å
86	R	86.8	Confident	85.4	Confident	124 Å²	124	84.5 Å²	84.5	47%	0.468	40%	0.402	S	S	.	.	H	α-helix	trans	-51.3	-38	179.4	-174.3	175.1	175.5	-85.8	-1	112.9	H88 K89 I90 V116 D117	R86-H88 VanDerWaalsContact C-N 3.34Å; R86-H88 PolarHBondContact O-N 3.46Å; R86-K89 WeakPolarHBondContact O-CB 3.39Å; R86-K89 PolarHBondContact O-N 3.13Å; R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 VanDerWaalsContact NH1-CD1 3.32Å; R86-I90 WeakPolarHBondContact O-CG1 3.26Å; R86-I90 PolarHBondContact O-N 2.95Å; R86-V116 HydrophobicContact CG-CG1 3.93Å; R86-D117 IonicContact CZ-OD1 3.22Å; R86-D117 IonicContact CZ-OD2 2.75Å; R86-D117 IonicContact NE-OD1 3.55Å; R86-D117 PolarHBondContact NE-OD1 3.27Å; R86-D117 IonicContact NE-OD2 2.72Å; R86-D117 VanDerWaalsContact NH2-CG 3.27Å; R86-D117 IonicContact NH2-OD1 2.75Å; R86-D117 PolarHBondContact NH2-OD1 3.16Å; R86-D117 VanDerWaalsContact NH2-OD1 3.1Å; R86-D117 IonicContact NH2-OD2 2.88Å; R86-D117 PolarHBondContact NH2-OD2 3.44Å
87	V	85.6	Confident	85.8	Confident	93 Å²	93	73.9 Å²	73.9	56%	0.564	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-36.7	178.3	69.2	0	0	0	0	113.5	M85 I90 S91	M85-V87 HydrophobicContact CB-CG1 4.12Å; M85-V87 PolarHBondContact O-N 3.31Å; M85-V87 VanDerWaalsContact O-N 3.13Å; V87-I90 PolarHBondContact O-N 3.33Å; V87-S91 PolarHBondContact O-N 3.31Å
88	H	87.8	Confident	85.9	Confident	59 Å²	59	78 Å²	78	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-70.7	-37.6	177.6	-57	129.9	0	0	0	111.5	E81 G83 M85 R86 S91 N92	E81-H88 HydrophobicContact CB-CB 4.14Å; G83-H88 VanDerWaalsContact CA-ND1 3.32Å; G83-H88 WeakPolarHBondContact CA-ND1 3.41Å; G83-H88 WeakPolarHBondContact O-CB 3.39Å; M85-H88 PolarHBondContact O-N 2.7Å; R86-H88 VanDerWaalsContact C-N 3.34Å; R86-H88 PolarHBondContact O-N 3.46Å; H88-S91 PolarHBondContact O-N 2.92Å; H88-N92 PolarHBondContact O-N 3.36Å
89	K	90.1	Very high	86.2	Confident	67 Å²	67	76.1 Å²	76.1	29%	0.291	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175	-61	-170.7	175.1	-169	0	111.4	R60 D61 M85 R86 S91 N92 V93 V116	R60-K89 WeakPolarHBondContact O-CB 3.38Å; D61-K89 HydrophobicContact CB-CD 4.19Å; D61-K89 HydrophobicContact CB-CG 4.16Å; M85-K89 PolarHBondContact O-N 3.21Å; R86-K89 WeakPolarHBondContact O-CB 3.39Å; R86-K89 PolarHBondContact O-N 3.13Å; K89-S91 VanDerWaalsContact C-N 3.33Å; K89-S91 PolarHBondContact O-N 3.43Å; K89-N92 PolarHBondContact O-N 2.87Å; K89-V93 WeakPolarHBondContact O-CG2 3.35Å; K89-V93 PolarHBondContact O-N 2.94Å; K89-V116 HydrophobicContact CB-CG1 3.78Å; K89-V116 HydrophobicContact CB-CG2 3.98Å; K89-V116 HydrophobicContact CD-CG1 4.26Å
90	I	88.7	Confident	86.4	Confident	24 Å²	24	67.2 Å²	67.2	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-42.8	175.5	-67.6	169.4	0	0	0	110.8	R86 V87 N92 V93 N94 A112 V116	R86-I90 HydrophobicContact CG-CD1 4.03Å; R86-I90 VanDerWaalsContact NH1-CD1 3.32Å; R86-I90 WeakPolarHBondContact O-CG1 3.26Å; R86-I90 PolarHBondContact O-N 2.95Å; V87-I90 PolarHBondContact O-N 3.33Å; I90-N92 PolarHBondContact O-N 2.76Å; I90-V93 PolarHBondContact O-N 3.21Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.38Å; I90-N94 WeakPolarHBondContact O-CB 3.5Å; I90-N94 PolarHBondContact O-N 3.06Å; I90-N94 PolarHBondContact O-ND2 2.74Å; I90-A112 HydrophobicContact CG2-CB 4.14Å; I90-V116 HydrophobicContact CB-CG2 4.44Å; I90-V116 HydrophobicContact CG1-CB 4.08Å; I90-V116 HydrophobicContact CG1-CG1 4.16Å; I90-V116 HydrophobicContact CG1-CG2 3.77Å
91	S	89.9	Confident	86.4	Confident	44 Å²	44	66.9 Å²	66.9	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-43.7	176.8	-175.4	0	0	0	0	112.6	V87 H88 K89 N94 K95	V87-S91 PolarHBondContact O-N 3.31Å; H88-S91 PolarHBondContact O-N 2.92Å; K89-S91 VanDerWaalsContact C-N 3.33Å; K89-S91 PolarHBondContact O-N 3.43Å; S91-N94 PolarHBondContact O-N 3.38Å; S91-K95 WeakPolarHBondContact O-CG 3.33Å; S91-K95 PolarHBondContact O-N 2.98Å
92	N	91.4	Very high	86.4	Confident	3 Å²	3	67 Å²	67	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-43.1	177.5	-69.4	-22.5	0	0	0	112.4	D61 L63 M66 P80 E81 H88 K89 I90 K95 A96	D61-N92 WeakPolarHBondContact O-CB 3.43Å; D61-N92 PolarHBondContact O-ND2 3.06Å; L63-N92 WeakPolarHBondContact CD2-ND2 3.24Å; M66-N92 HydrophobicContact SD-CB 3.96Å; P80-N92 WeakPolarHBondContact CA-OD1 3.17Å; E81-N92 PolarHBondContact N-OD1 2.87Å; E81-N92 PolarHBondContact O-ND2 2.85Å; H88-N92 PolarHBondContact O-N 3.36Å; K89-N92 PolarHBondContact O-N 2.87Å; I90-N92 PolarHBondContact O-N 2.76Å; N92-K95 PolarHBondContact O-N 2.68Å; N92-A96 PolarHBondContact O-N 3.11Å; N92-A96 VanDerWaalsContact O-N 3.13Å
93	V	90.5	Very high	86.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.7	175.6	0	0	0	0	110.7	K89 I90 K95 A96 L97 A112 I115 V116	K89-V93 WeakPolarHBondContact O-CG2 3.35Å; K89-V93 PolarHBondContact O-N 2.94Å; I90-V93 PolarHBondContact O-N 3.21Å; V93-K95 PolarHBondContact O-N 3.17Å; V93-A96 WeakPolarHBondContact O-CA 3.42Å; V93-A96 WeakPolarHBondContact O-CB 3.38Å; V93-A96 PolarHBondContact O-N 3.16Å; V93-A96 VanDerWaalsContact O-N 3.08Å; V93-L97 HydrophobicContact CG1-CD1 4.03Å; V93-L97 HydrophobicContact CG1-CG 4.11Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 3.13Å; V93-A112 HydrophobicContact CB-CB 4.03Å; V93-A112 HydrophobicContact CG1-CB 3.7Å; V93-I115 HydrophobicContact CG1-CB 3.91Å; V93-I115 HydrophobicContact CG1-CG1 4.09Å; V93-I115 HydrophobicContact CG1-CG2 4.17Å; V93-I115 HydrophobicContact CG2-CG2 4.21Å; V93-V116 HydrophobicContact CB-CG2 4.3Å; V93-V116 HydrophobicContact CG2-CG2 3.77Å
94	N	91	Very high	86.7	Confident	62 Å²	62	59.3 Å²	59.3	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-45.4	174.8	-84.2	-36.9	0	0	0	112.1	I90 S91 A96 L97 D98 A112	I90-N94 WeakPolarHBondContact CG2-ND2 3.38Å; I90-N94 WeakPolarHBondContact O-CB 3.5Å; I90-N94 PolarHBondContact O-N 3.06Å; I90-N94 PolarHBondContact O-ND2 2.74Å; S91-N94 PolarHBondContact O-N 3.38Å; N94-A96 PolarHBondContact O-N 3.45Å; N94-L97 PolarHBondContact O-N 2.93Å; N94-L97 VanDerWaalsContact O-N 3.12Å; N94-D98 WeakPolarHBondContact O-CB 3.04Å; N94-D98 VanDerWaalsContact O-CG 3.29Å; N94-D98 PolarHBondContact O-N 3.02Å; N94-A112 HydrophobicContact CB-CB 4.48Å; N94-A112 WeakPolarHBondContact OD1-CB 3.34Å
95	K	90.3	Very high	86.9	Confident	50 Å²	50	50.5 Å²	50.5	22%	0.217	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-38.3	174.5	-71.7	170.9	-176.5	172.1	0	112	M66 K79 E81 S91 N92 V93 F99	M66-K95 HydrophobicContact CE-CB 3.87Å; M66-K95 HydrophobicContact CE-CD 4.08Å; M66-K95 HydrophobicContact SD-CB 4.25Å; K79-K95 PolarHBondContact O-NZ 3.31Å; E81-K95 IonicContact OE1-NZ 3.85Å; E81-K95 PolarHBondContact OE1-NZ 3.39Å; S91-K95 WeakPolarHBondContact O-CG 3.33Å; S91-K95 PolarHBondContact O-N 2.98Å; N92-K95 PolarHBondContact O-N 2.68Å; V93-K95 PolarHBondContact O-N 3.17Å; K95-F99 PolarHBondContact O-N 3.25Å
96	A	89.9	Confident	86.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.9	-45	175.5	0	0	0	0	0	112.5	L65 M66 L69 N92 V93 N94 F99 I100	L65-A96 HydrophobicContact CD2-CB 3.68Å; L65-A96 HydrophobicContact CG-CB 3.85Å; M66-A96 HydrophobicContact CG-CB 3.87Å; L69-A96 HydrophobicContact CD1-CB 3.7Å; L69-A96 WeakPolarHBondContact CD1-O 3.45Å; N92-A96 PolarHBondContact O-N 3.11Å; N92-A96 VanDerWaalsContact O-N 3.13Å; V93-A96 WeakPolarHBondContact O-CA 3.42Å; V93-A96 WeakPolarHBondContact O-CB 3.38Å; V93-A96 PolarHBondContact O-N 3.16Å; V93-A96 VanDerWaalsContact O-N 3.08Å; N94-A96 PolarHBondContact O-N 3.45Å; A96-F99 PolarHBondContact O-N 2.9Å; A96-I100 WeakPolarHBondContact O-CD1 3.47Å; A96-I100 VanDerWaalsContact O-CG1 3.28Å; A96-I100 WeakPolarHBondContact O-CG1 3.5Å; A96-I100 PolarHBondContact O-N 3.23Å
97	L	89.7	Confident	86.1	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-40.8	178.8	-66.2	180	0	0	0	112.1	V93 N94 F99 I100 A101 L107 A112 M126	V93-L97 HydrophobicContact CG1-CD1 4.03Å; V93-L97 HydrophobicContact CG1-CG 4.11Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 3.13Å; N94-L97 PolarHBondContact O-N 2.93Å; N94-L97 VanDerWaalsContact O-N 3.12Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 2.78Å; L97-I100 HydrophobicContact CD2-CD1 4.39Å; L97-I100 PolarHBondContact O-N 2.88Å; L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.22Å; L97-L107 HydrophobicContact CB-CD1 3.99Å; L97-L107 HydrophobicContact CD2-CD1 3.89Å; L97-L107 HydrophobicContact CG-CD1 4.47Å; L97-A112 HydrophobicContact CD1-CB 3.99Å; L97-M126 HydrophobicContact CD2-CG 4.09Å; L97-M126 HydrophobicContact CD2-SD 3.71Å
98	D	87.3	Confident	85.4	Confident	109 Å²	109	50.3 Å²	50.3	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-61	-42.7	175.2	-71.8	-25.3	0	0	0	111.3	N94 A101 S102	N94-D98 WeakPolarHBondContact O-CB 3.04Å; N94-D98 VanDerWaalsContact O-CG 3.29Å; N94-D98 PolarHBondContact O-N 3.02Å; D98-A101 PolarHBondContact O-N 3.2Å; D98-S102 WeakPolarHBondContact O-CB 3.23Å; D98-S102 PolarHBondContact O-N 3.41Å
99	F	88.3	Confident	84.8	Confident	26 Å²	26	52.2 Å²	52.2	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-45.1	175.2	-176.5	-97.5	0	0	0	111.3	L69 E75 L77 K95 A96 L97 A101 S102 K103 F134	L69-F99 HydrophobicContact CB-CD1 4.04Å; L69-F99 HydrophobicContact CB-CE1 4.15Å; L69-F99 HydrophobicContact CD1-CD1 4.08Å; L69-F99 HydrophobicContact CD2-CD1 4.42Å; L69-F99 HydrophobicContact CG-CD1 4.42Å; E75-F99 HydrophobicContact CB-CZ 4.4Å; L77-F99 HydrophobicContact CD1-CD1 3.98Å; L77-F99 HydrophobicContact CD1-CD2 3.95Å; L77-F99 HydrophobicContact CD1-CE1 3.92Å; L77-F99 HydrophobicContact CD1-CE2 3.89Å; L77-F99 HydrophobicContact CD1-CG 3.97Å; L77-F99 HydrophobicContact CD1-CZ 3.87Å; L77-F99 HydrophobicContact CD2-CB 3.78Å; L77-F99 HydrophobicContact CD2-CD1 4.2Å; L77-F99 HydrophobicContact CD2-CD2 4.33Å; L77-F99 HydrophobicContact CD2-CG 3.85Å; L77-F99 HydrophobicContact CG-CB 4.25Å; L77-F99 HydrophobicContact CG-CD1 4.35Å; L77-F99 HydrophobicContact CG-CD2 3.88Å; L77-F99 HydrophobicContact CG-CE2 4.28Å; L77-F99 HydrophobicContact CG-CG 3.9Å; K95-F99 PolarHBondContact O-N 3.25Å; A96-F99 PolarHBondContact O-N 2.9Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 2.78Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.46Å; F99-S102 PolarHBondContact O-N 3.11Å; F99-S102 PolarHBondContact O-OG 3.43Å; F99-K103 HydrophobicContact CD1-CG 4.45Å; F99-K103 HydrophobicContact CE1-CG 4.13Å; F99-K103 HydrophobicContact CZ-CD 4.48Å; F99-K103 HydrophobicContact CZ-CG 4.28Å; F99-K103 WeakPolarHBondContact O-CG 3.17Å; F99-K103 PolarHBondContact O-N 3.41Å; F99-F134 HydrophobicContact CE1-CZ 4.41Å
100	I	86.8	Confident	84.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-44.6	176.9	-68.2	161.1	0	0	0	111	L69 A96 L97 S102 K103 V105 L107 I130	L69-I100 HydrophobicContact CD1-CD1 3.89Å; L69-I100 HydrophobicContact CD1-CG1 3.76Å; L69-I100 HydrophobicContact CD2-CD1 4.06Å; L69-I100 HydrophobicContact CD2-CG1 3.63Å; L69-I100 HydrophobicContact CG-CG1 4.36Å; A96-I100 WeakPolarHBondContact O-CD1 3.47Å; A96-I100 VanDerWaalsContact O-CG1 3.28Å; A96-I100 WeakPolarHBondContact O-CG1 3.5Å; A96-I100 PolarHBondContact O-N 3.23Å; L97-I100 HydrophobicContact CD2-CD1 4.39Å; L97-I100 PolarHBondContact O-N 2.88Å; I100-S102 PolarHBondContact O-N 2.88Å; I100-K103 PolarHBondContact O-N 2.86Å; I100-V105 HydrophobicContact CG2-CB 3.58Å; I100-V105 HydrophobicContact CG2-CG1 3.8Å; I100-V105 HydrophobicContact CG2-CG2 3.88Å; I100-V105 PolarHBondContact O-N 2.63Å; I100-L107 HydrophobicContact CB-CD1 4.39Å; I100-L107 HydrophobicContact CG2-CD1 4.16Å; I100-L107 HydrophobicContact CG2-CD2 4.08Å; I100-L107 HydrophobicContact CG2-CG 4.29Å; I100-I130 HydrophobicContact CD1-CD1 3.54Å; I100-I130 HydrophobicContact CD1-CG1 3.69Å; I100-I130 HydrophobicContact CG1-CD1 4.34Å; I100-I130 HydrophobicContact CG1-CG1 4.09Å
101	A	84.9	Confident	84.2	Confident	50 Å²	50	50.3 Å²	50.3	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.3	0	0	0	0	0	111.8	L97 D98 F99 K103 G104	L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.22Å; D98-A101 PolarHBondContact O-N 3.2Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.46Å; A101-K103 PolarHBondContact O-N 2.95Å; A101-G104 PolarHBondContact O-N 3.36Å
102	S	84.1	Confident	84	Confident	86 Å²	86	48.3 Å²	48.3	60%	0.601	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-26.3	177.7	81.1	0	0	0	0	113.6	D98 F99 I100 G104	D98-S102 WeakPolarHBondContact O-CB 3.23Å; D98-S102 PolarHBondContact O-N 3.41Å; F99-S102 PolarHBondContact O-N 3.11Å; F99-S102 PolarHBondContact O-OG 3.43Å; I100-S102 PolarHBondContact O-N 2.88Å; S102-G104 PolarHBondContact O-N 3.35Å
103	K	81.4	Confident	83.8	Confident	52 Å²	52	52.3 Å²	52.3	23%	0.226	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	8.8	177.3	-61.5	-65.8	-178.7	-175.2	0	112.9	E75 F99 I100 A101 R133 F134	E75-K103 IonicContact OE1-NZ 2.64Å; E75-K103 PolarHBondContact OE1-NZ 3.09Å; E75-K103 WeakPolarHBondContact OE2-CE 3.41Å; E75-K103 IonicContact OE2-NZ 2.81Å; E75-K103 PolarHBondContact OE2-NZ 3.25Å; F99-K103 HydrophobicContact CD1-CG 4.45Å; F99-K103 HydrophobicContact CE1-CG 4.13Å; F99-K103 HydrophobicContact CZ-CD 4.48Å; F99-K103 HydrophobicContact CZ-CG 4.28Å; F99-K103 WeakPolarHBondContact O-CG 3.17Å; F99-K103 PolarHBondContact O-N 3.41Å; I100-K103 PolarHBondContact O-N 2.86Å; A101-K103 PolarHBondContact O-N 2.95Å; K103-R133 PolarHBondContact O-NE 2.98Å; K103-R133 PolarHBondContact O-NH2 3.49Å; K103-F134 HydrophobicContact CB-CZ 3.95Å; K103-F134 HydrophobicContact CG-CE1 4.47Å; K103-F134 HydrophobicContact CG-CZ 3.93Å
104	G	76.6	Confident	83.7	Confident	56 Å²	56	55.7 Å²	55.7	58%	0.577	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	19.5	170.6	0	0	0	0	0	114.9	A101 S102	A101-G104 PolarHBondContact O-N 3.36Å; S102-G104 PolarHBondContact O-N 3.35Å
105	V	79.9	Confident	83.6	Confident	17 Å²	17	52.8 Å²	52.8	10%	0.103	31%	0.307	C	S	.	.			trans	-94	126.6	178.1	-177.6	0	0	0	0	110.4	I100 L107 T129 R133	I100-V105 HydrophobicContact CG2-CB 3.58Å; I100-V105 HydrophobicContact CG2-CG1 3.8Å; I100-V105 HydrophobicContact CG2-CG2 3.88Å; I100-V105 PolarHBondContact O-N 2.63Å; V105-L107 HydrophobicContact CG1-CD2 4.28Å; V105-L107 PolarHBondContact O-N 3.37Å; V105-T129 HydrophobicContact CG1-CG2 4.41Å; V105-R133 HydrophobicContact CG2-CB 3.52Å; V105-R133 HydrophobicContact CG2-CG 3.54Å
106	K	75.3	Confident	83.5	Confident	187 Å²	187	50.6 Å²	50.6	81%	0.813	30%	0.298	S	S	*	.			trans	-83.9	103.9	173.9	-69.8	-174.5	-179.3	-180	0	110.5	V108	K106-V108 HydrophobicContact CB-CG2 4.44Å; K106-V108 PolarHBondContact O-N 3.39Å
107	L	77.9	Confident	83.4	Confident	42 Å²	42	54.6 Å²	54.6	22%	0.22	32%	0.319	C	S	.	.			trans	-85.1	82.2	175.1	-63.6	168.6	0	0	0	109.8	L97 I100 V105	L97-L107 HydrophobicContact CB-CD1 3.99Å; L97-L107 HydrophobicContact CD2-CD1 3.89Å; L97-L107 HydrophobicContact CG-CD1 4.47Å; I100-L107 HydrophobicContact CB-CD1 4.39Å; I100-L107 HydrophobicContact CG2-CD1 4.16Å; I100-L107 HydrophobicContact CG2-CD2 4.08Å; I100-L107 HydrophobicContact CG2-CG 4.29Å; V105-L107 HydrophobicContact CG1-CD2 4.28Å; V105-L107 PolarHBondContact O-N 3.37Å
108	V	72.2	Confident	83.1	Confident	111 Å²	111	55 Å²	55	67%	0.673	33%	0.326	S	S	*	.			trans	-86.2	125.3	176.4	-174.8	0	0	0	0	108.9	K106 I110	K106-V108 HydrophobicContact CB-CG2 4.44Å; K106-V108 PolarHBondContact O-N 3.39Å; V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 PolarHBondContact O-N 2.89Å
109	S	75.1	Confident	83.1	Confident	99 Å²	99	52.6 Å²	52.6	69%	0.692	31%	0.313	S	S	*	.	S	Bend	trans	66.9	13.3	177.4	-50.1	0	0	0	0	117	M122	S109-M122 WeakPolarHBondContact O-CE 3.35Å
110	I	81.4	Confident	82.9	Confident	26 Å²	26	53 Å²	53	13%	0.133	32%	0.317	C	S	.	.			trans	-111.1	110.8	175.5	-56.9	175	0	0	0	109.7	V108 I115 M122 M126	V108-I110 VanDerWaalsContact C-N 3.31Å; V108-I110 PolarHBondContact O-N 2.89Å; I110-I115 HydrophobicContact CG2-CD1 4.13Å; I110-I115 HydrophobicContact CG2-CG1 4.48Å; I110-M122 HydrophobicContact CG1-SD 4.23Å; I110-M126 HydrophobicContact CD1-CB 4.13Å; I110-M126 HydrophobicContact CG2-CB 4.24Å
111	G	83.6	Confident	82.8	Confident	26 Å²	26	58.9 Å²	58.9	27%	0.268	34%	0.343	S	S	.	.			trans	-103.9	158.6	174.5	0	0	0	0	0	112.8	E113 E114	G111-E113 PolarHBondContact O-N 2.85Å; G111-E114 WeakPolarHBondContact O-CB 3.3Å; G111-E114 PolarHBondContact O-N 3.38Å
112	A	86.6	Confident	82.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-31.5	177.9	0	0	0	0	0	112.9	I90 V93 N94 L97 E114 I115 V116	I90-A112 HydrophobicContact CG2-CB 4.14Å; V93-A112 HydrophobicContact CB-CB 4.03Å; V93-A112 HydrophobicContact CG1-CB 3.7Å; N94-A112 HydrophobicContact CB-CB 4.48Å; N94-A112 WeakPolarHBondContact OD1-CB 3.34Å; L97-A112 HydrophobicContact CD1-CB 3.99Å; A112-E114 VanDerWaalsContact C-N 3.32Å; A112-E114 PolarHBondContact O-N 3.49Å; A112-I115 PolarHBondContact O-N 3.38Å; A112-V116 WeakPolarHBondContact O-CG2 3.45Å; A112-V116 PolarHBondContact O-N 3.23Å; A112-V116 VanDerWaalsContact O-N 3.09Å
113	E	87.4	Confident	83	Confident	88 Å²	88	54.8 Å²	54.8	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-44.2	176.1	-3.2	-66.4	150.4	0	0	111.6	G111 I115 V116 D117	G111-E113 PolarHBondContact O-N 2.85Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.35Å; E113-V116 PolarHBondContact O-N 3.45Å; E113-D117 WeakPolarHBondContact O-CB 3.44Å; E113-D117 PolarHBondContact O-N 2.96Å
114	E	87.5	Confident	83.3	Confident	71 Å²	71	52.4 Å²	52.4	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-37.7	-177.6	-63	-64.5	152.2	0	0	112.1	G111 A112 G118 N119 M122	G111-E114 WeakPolarHBondContact O-CB 3.3Å; G111-E114 PolarHBondContact O-N 3.38Å; A112-E114 VanDerWaalsContact C-N 3.32Å; A112-E114 PolarHBondContact O-N 3.49Å; E114-G118 PolarHBondContact O-N 3.49Å; E114-N119 HydrophobicContact CB-CB 4.27Å; E114-N119 VanDerWaalsContact O-CB 3.32Å; E114-N119 WeakPolarHBondContact O-CB 3.43Å; E114-N119 PolarHBondContact O-N 3.1Å; E114-N119 WeakPolarHBondContact OE2-CB 3.11Å; E114-N119 PolarHBondContact OE2-ND2 3.05Å; E114-M122 HydrophobicContact CB-CB 3.91Å; E114-M122 HydrophobicContact CB-CG 3.93Å; E114-M122 HydrophobicContact CG-CE 4.45Å; E114-M122 HydrophobicContact CG-CG 4.16Å
115	I	88.7	Confident	83.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-73.5	-42.6	178.2	-51.5	-59.1	0	0	0	110.4	R60 V93 I110 A112 E113 D117 G118 M122 M126	R60-I115 WeakPolarHBondContact CG-O 3.08Å; V93-I115 HydrophobicContact CG1-CB 3.91Å; V93-I115 HydrophobicContact CG1-CG1 4.09Å; V93-I115 HydrophobicContact CG1-CG2 4.17Å; V93-I115 HydrophobicContact CG2-CG2 4.21Å; I110-I115 HydrophobicContact CG2-CD1 4.13Å; I110-I115 HydrophobicContact CG2-CG1 4.48Å; A112-I115 PolarHBondContact O-N 3.38Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.35Å; I115-D117 VanDerWaalsContact C-N 3.34Å; I115-D117 PolarHBondContact O-N 2.59Å; I115-G118 PolarHBondContact O-N 2.72Å; I115-M122 HydrophobicContact CD1-CB 4.42Å; I115-M126 HydrophobicContact CD1-CB 4.26Å; I115-M126 HydrophobicContact CD1-CE 4.28Å; I115-M126 HydrophobicContact CD1-SD 3.97Å; I115-M126 HydrophobicContact CG1-SD 4.09Å
116	V	89.4	Confident	84.1	Confident	4 Å²	4	50 Å²	50	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-32.4	-179.9	176.6	0	0	0	0	111.9	R60 R86 K89 I90 V93 A112 E113 G118	R60-V116 VanDerWaalsContact CZ-O 3.25Å; R60-V116 PolarHBondContact NE-O 3.28Å; R60-V116 PolarHBondContact NH2-O 3.39Å; R60-V116 WeakPolarHBondContact O-CG2 3.39Å; R86-V116 HydrophobicContact CG-CG1 3.93Å; K89-V116 HydrophobicContact CB-CG1 3.78Å; K89-V116 HydrophobicContact CB-CG2 3.98Å; K89-V116 HydrophobicContact CD-CG1 4.26Å; I90-V116 HydrophobicContact CB-CG2 4.44Å; I90-V116 HydrophobicContact CG1-CB 4.08Å; I90-V116 HydrophobicContact CG1-CG1 4.16Å; I90-V116 HydrophobicContact CG1-CG2 3.77Å; V93-V116 HydrophobicContact CB-CG2 4.3Å; V93-V116 HydrophobicContact CG2-CG2 3.77Å; A112-V116 WeakPolarHBondContact O-CG2 3.45Å; A112-V116 PolarHBondContact O-N 3.23Å; A112-V116 VanDerWaalsContact O-N 3.09Å; E113-V116 PolarHBondContact O-N 3.45Å; V116-G118 VanDerWaalsContact C-N 3.3Å
117	D	86.3	Confident	84.8	Confident	83 Å²	83	41 Å²	41	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-82.3	-9.4	179.1	-67.4	-18.7	0	0	0	113	R60 R86 E113 I115	R60-D117 PolarHBondContact NH2-O 3.09Å; R86-D117 IonicContact CZ-OD1 3.22Å; R86-D117 IonicContact CZ-OD2 2.75Å; R86-D117 IonicContact NE-OD1 3.55Å; R86-D117 PolarHBondContact NE-OD1 3.27Å; R86-D117 IonicContact NE-OD2 2.72Å; R86-D117 VanDerWaalsContact NH2-CG 3.27Å; R86-D117 IonicContact NH2-OD1 2.75Å; R86-D117 PolarHBondContact NH2-OD1 3.16Å; R86-D117 VanDerWaalsContact NH2-OD1 3.1Å; R86-D117 IonicContact NH2-OD2 2.88Å; R86-D117 PolarHBondContact NH2-OD2 3.44Å; E113-D117 WeakPolarHBondContact O-CB 3.44Å; E113-D117 PolarHBondContact O-N 2.96Å; I115-D117 VanDerWaalsContact C-N 3.34Å; I115-D117 PolarHBondContact O-N 2.59Å
118	G	83.9	Confident	85.3	Confident	20 Å²	20	40.4 Å²	40.4	21%	0.206	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	31.5	172.2	0	0	0	0	0	113.7	E114 I115 V116 V120	E114-G118 PolarHBondContact O-N 3.49Å; I115-G118 PolarHBondContact O-N 2.72Å; V116-G118 VanDerWaalsContact C-N 3.3Å; G118-V120 PolarHBondContact O-N 3.16Å; G118-V120 VanDerWaalsContact O-N 3.1Å
119	N	87.3	Confident	86	Confident	59 Å²	59	36.5 Å²	36.5	32%	0.316	21%	0.207	S	C	.	.			trans	-70.5	105.5	173.6	-172.7	-26.9	0	0	0	109.9	E114 K121 M122 T123	E114-N119 HydrophobicContact CB-CB 4.27Å; E114-N119 VanDerWaalsContact O-CB 3.32Å; E114-N119 WeakPolarHBondContact O-CB 3.43Å; E114-N119 PolarHBondContact O-N 3.1Å; E114-N119 WeakPolarHBondContact OE2-CB 3.11Å; E114-N119 PolarHBondContact OE2-ND2 3.05Å; N119-K121 PolarHBondContact O-N 3.21Å; N119-K121 PolarHBondContact OD1-N 2.93Å; N119-M122 HydrophobicContact CB-CB 4.13Å; N119-M122 HydrophobicContact CB-CG 4.15Å; N119-M122 WeakPolarHBondContact ND2-CG 3.29Å; N119-M122 PolarHBondContact O-N 3.34Å; N119-M122 PolarHBondContact OD1-N 2.83Å; N119-T123 WeakPolarHBondContact O-CB 3.43Å; N119-T123 PolarHBondContact O-N 3.27Å; N119-T123 PolarHBondContact O-OG1 3.5Å
120	V	84.4	Confident	86.6	Confident	33 Å²	33	31.8 Å²	31.8	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-46	-174.5	-176.1	0	0	0	0	111.9	E56 G118 M122 T123 L124	E56-V120 HydrophobicContact CB-CG2 4.31Å; E56-V120 HydrophobicContact CG-CB 4.19Å; E56-V120 HydrophobicContact CG-CG1 3.86Å; E56-V120 HydrophobicContact CG-CG2 3.63Å; E56-V120 WeakPolarHBondContact OE1-CG1 3.46Å; E56-V120 VanDerWaalsContact OE2-CG2 3.3Å; E56-V120 WeakPolarHBondContact OE2-CG2 3.31Å; G118-V120 PolarHBondContact O-N 3.16Å; G118-V120 VanDerWaalsContact O-N 3.1Å; V120-M122 PolarHBondContact O-N 2.8Å; V120-T123 PolarHBondContact O-N 3.13Å; V120-L124 HydrophobicContact CG1-CD1 3.97Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 2.95Å
121	K	84.6	Confident	87	Confident	125 Å²	125	30.6 Å²	30.6	54%	0.543	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-41.9	-178.3	-72.2	-178.4	172.7	179	0	111.9	E30 N119 G125	E30-K121 WeakPolarHBondContact OE1-CE 3.12Å; E30-K121 IonicContact OE1-NZ 2.72Å; N119-K121 PolarHBondContact O-N 3.21Å; N119-K121 PolarHBondContact OD1-N 2.93Å; K121-G125 PolarHBondContact O-N 3Å
122	M	87.1	Confident	87.1	Confident	49 Å²	49	32 Å²	32	24%	0.241	17%	0.169	C	C	.	.	H	α-helix	trans	-69.7	-37.9	178.1	-64.3	-58.2	-151.1	0	0	112	S109 I110 E114 I115 N119 V120 G125 M126	S109-M122 WeakPolarHBondContact O-CE 3.35Å; I110-M122 HydrophobicContact CG1-SD 4.23Å; E114-M122 HydrophobicContact CB-CB 3.91Å; E114-M122 HydrophobicContact CB-CG 3.93Å; E114-M122 HydrophobicContact CG-CE 4.45Å; E114-M122 HydrophobicContact CG-CG 4.16Å; I115-M122 HydrophobicContact CD1-CB 4.42Å; N119-M122 HydrophobicContact CB-CB 4.13Å; N119-M122 HydrophobicContact CB-CG 4.15Å; N119-M122 WeakPolarHBondContact ND2-CG 3.29Å; N119-M122 PolarHBondContact O-N 3.34Å; N119-M122 PolarHBondContact OD1-N 2.83Å; V120-M122 PolarHBondContact O-N 2.8Å; M122-G125 PolarHBondContact O-N 3.49Å; M122-M126 WeakPolarHBondContact O-CB 3.33Å; M122-M126 PolarHBondContact O-N 3.29Å
123	T	86.5	Confident	87.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-46.3	177.3	-54.2	0	0	0	0	111.4	F59 N119 V120 G125 M126 I127	F59-T123 HydrophobicContact CD2-CG2 4.33Å; N119-T123 WeakPolarHBondContact O-CB 3.43Å; N119-T123 PolarHBondContact O-N 3.27Å; N119-T123 PolarHBondContact O-OG1 3.5Å; V120-T123 PolarHBondContact O-N 3.13Å; T123-G125 VanDerWaalsContact C-N 3.33Å; T123-G125 PolarHBondContact O-N 3.38Å; T123-M126 PolarHBondContact O-N 3.45Å; T123-I127 WeakPolarHBondContact O-CG1 3.41Å; T123-I127 PolarHBondContact O-N 3.28Å
124	L	86.5	Confident	86.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-39.4	174	-66.1	175.9	0	0	0	111.7	Q33 R34 F37 I55 V120 M126 I127 W128	Q33-L124 HydrophobicContact CB-CD1 4.34Å; Q33-L124 HydrophobicContact CB-CD2 4.49Å; R34-L124 HydrophobicContact CB-CD2 4.4Å; F37-L124 HydrophobicContact CD2-CB 4.36Å; F37-L124 HydrophobicContact CD2-CD2 3.76Å; F37-L124 HydrophobicContact CE2-CB 4.36Å; F37-L124 HydrophobicContact CE2-CD2 4.46Å; F37-L124 WeakPolarHBondContact CE2-O 3.1Å; I55-L124 HydrophobicContact CD1-CD2 4.27Å; I55-L124 HydrophobicContact CG2-CD2 4.23Å; V120-L124 HydrophobicContact CG1-CD1 3.97Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 2.95Å; L124-M126 PolarHBondContact O-N 3.17Å; L124-I127 PolarHBondContact O-N 3.4Å; L124-W128 WeakPolarHBondContact O-CB 3.36Å; L124-W128 PolarHBondContact O-N 3.45Å
125	G	86.5	Confident	86.7	Confident	21 Å²	21	30 Å²	30	22%	0.216	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-44.3	174.8	0	0	0	0	0	113.1	K121 M122 T123 W128 T129	K121-G125 PolarHBondContact O-N 3Å; M122-G125 PolarHBondContact O-N 3.49Å; T123-G125 VanDerWaalsContact C-N 3.33Å; T123-G125 PolarHBondContact O-N 3.38Å; G125-W128 PolarHBondContact O-N 2.96Å; G125-T129 PolarHBondContact O-N 3.16Å
126	M	88.6	Confident	86.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-46.6	176.9	-178.7	-164	65.6	0	0	111.9	L65 L97 I110 I115 M122 T123 L124 W128 T129 I130	L65-M126 HydrophobicContact CD1-CE 3.55Å; L65-M126 HydrophobicContact CD1-SD 4.28Å; L65-M126 HydrophobicContact CD2-CE 3.62Å; L65-M126 HydrophobicContact CD2-SD 3.65Å; L65-M126 HydrophobicContact CG-CE 4.22Å; L97-M126 HydrophobicContact CD2-CG 4.09Å; L97-M126 HydrophobicContact CD2-SD 3.71Å; I110-M126 HydrophobicContact CD1-CB 4.13Å; I110-M126 HydrophobicContact CG2-CB 4.24Å; I115-M126 HydrophobicContact CD1-CB 4.26Å; I115-M126 HydrophobicContact CD1-CE 4.28Å; I115-M126 HydrophobicContact CD1-SD 3.97Å; I115-M126 HydrophobicContact CG1-SD 4.09Å; M122-M126 WeakPolarHBondContact O-CB 3.33Å; M122-M126 PolarHBondContact O-N 3.29Å; T123-M126 PolarHBondContact O-N 3.45Å; L124-M126 PolarHBondContact O-N 3.17Å; M126-W128 VanDerWaalsContact C-N 3.25Å; M126-W128 PolarHBondContact O-N 3.03Å; M126-T129 PolarHBondContact O-N 3.19Å; M126-T129 PolarHBondContact O-OG1 3.47Å; M126-I130 HydrophobicContact CG-CD1 4.3Å; M126-I130 WeakPolarHBondContact O-CG1 3.34Å; M126-I130 PolarHBondContact O-N 2.94Å; M126-I130 VanDerWaalsContact O-N 3.14Å
127	I	89.2	Confident	86.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-36.5	179.6	-63.6	-64.6	0	0	0	110.8	F37 I55 F59 L65 L68 T123 L124 T129 I130 I131	F37-I127 HydrophobicContact CB-CG2 3.82Å; F37-I127 HydrophobicContact CD2-CB 4.28Å; F37-I127 HydrophobicContact CD2-CG2 4.11Å; F37-I127 HydrophobicContact CG-CG2 4.02Å; I55-I127 HydrophobicContact CD1-CG1 4.22Å; F59-I127 HydrophobicContact CD2-CD1 4Å; F59-I127 HydrophobicContact CD2-CG1 4.34Å; F59-I127 HydrophobicContact CE2-CD1 3.48Å; F59-I127 VanDerWaalsContact CE2-CD1 3.48Å; F59-I127 HydrophobicContact CE2-CG1 3.99Å; F59-I127 HydrophobicContact CZ-CD1 3.99Å; L65-I127 HydrophobicContact CD1-CD1 4.1Å; L68-I127 HydrophobicContact CD2-CD1 4.43Å; T123-I127 WeakPolarHBondContact O-CG1 3.41Å; T123-I127 PolarHBondContact O-N 3.28Å; L124-I127 PolarHBondContact O-N 3.4Å; I127-T129 PolarHBondContact O-N 3.41Å; I127-I130 HydrophobicContact CD1-CD1 4.23Å; I127-I130 PolarHBondContact O-N 3.47Å; I127-I131 HydrophobicContact CG2-CD1 3.82Å; I127-I131 HydrophobicContact CG2-CG1 4.37Å; I127-I131 VanDerWaalsContact O-CG1 3.3Å; I127-I131 WeakPolarHBondContact O-CG1 3.38Å; I127-I131 PolarHBondContact O-N 3.43Å
128	W	89.4	Confident	85.4	Confident	29 Å²	29	35.6 Å²	35.6	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-44.4	172.9	172.1	-109.7	0	0	0	113.2	F37 L124 G125 M126 I130 I131 L132 I136 K236 M239	F37-W128 HydrophobicContact CE1-CE3 4.1Å; F37-W128 HydrophobicContact CE2-CB 3.96Å; F37-W128 HydrophobicContact CZ-CB 3.94Å; F37-W128 HydrophobicContact CZ-CD2 4.43Å; F37-W128 AromaticContact CZ-CE3 3.85Å; F37-W128 HydrophobicContact CZ-CE3 3.85Å; L124-W128 WeakPolarHBondContact O-CB 3.36Å; L124-W128 PolarHBondContact O-N 3.45Å; G125-W128 PolarHBondContact O-N 2.96Å; M126-W128 VanDerWaalsContact C-N 3.25Å; M126-W128 PolarHBondContact O-N 3.03Å; W128-I130 VanDerWaalsContact C-N 3.26Å; W128-I130 PolarHBondContact O-N 2.89Å; W128-I131 HydrophobicContact CE3-CB 4.49Å; W128-I131 HydrophobicContact CE3-CG2 4.46Å; W128-I131 HydrophobicContact CZ3-CG2 4.37Å; W128-I131 PolarHBondContact O-N 3.16Å; W128-L132 HydrophobicContact CZ2-CD1 4.27Å; W128-L132 WeakPolarHBondContact O-CB 3.21Å; W128-L132 PolarHBondContact O-N 3.36Å; W128-I136 HydrophobicContact CH2-CD1 4.27Å; W128-I136 HydrophobicContact CZ3-CD1 4.47Å; W128-K236 HydrophobicContact CB-CD 4.37Å; W128-K236 HydrophobicContact CD2-CB 3.97Å; W128-K236 HydrophobicContact CD2-CD 3.54Å; W128-K236 HydrophobicContact CD2-CG 3.74Å; W128-K236 HydrophobicContact CE3-CB 3.57Å; W128-K236 HydrophobicContact CE3-CD 4.04Å; W128-K236 HydrophobicContact CE3-CG 3.88Å; W128-K236 HydrophobicContact CG-CD 3.66Å; W128-K236 HydrophobicContact CG-CG 4.4Å; W128-K236 HydrophobicContact CH2-CB 3.9Å; W128-K236 HydrophobicContact CH2-CG 3.86Å; W128-K236 HydrophobicContact CZ2-CB 4.29Å; W128-K236 HydrophobicContact CZ2-CD 4.3Å; W128-K236 HydrophobicContact CZ2-CG 3.75Å; W128-K236 HydrophobicContact CZ3-CB 3.53Å; W128-K236 HydrophobicContact CZ3-CG 3.94Å; W128-K236 WeakPolarHBondContact CZ3-O 3.47Å; W128-M239 HydrophobicContact CH2-CB 4.04Å; W128-M239 HydrophobicContact CH2-CE 4Å; W128-M239 HydrophobicContact CH2-SD 3.99Å; W128-M239 HydrophobicContact CZ2-CE 4.44Å; W128-M239 HydrophobicContact CZ2-SD 4.49Å; W128-M239 HydrophobicContact CZ3-CB 4.41Å
129	T	86.8	Confident	85	Confident	29 Å²	29	34.7 Å²	34.7	18%	0.178	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-32.7	179.8	58.3	0	0	0	0	111.9	V105 G125 M126 I127 R133	V105-T129 HydrophobicContact CG1-CG2 4.41Å; G125-T129 PolarHBondContact O-N 3.16Å; M126-T129 PolarHBondContact O-N 3.19Å; M126-T129 PolarHBondContact O-OG1 3.47Å; I127-T129 PolarHBondContact O-N 3.41Å; T129-R133 WeakPolarHBondContact O-CB 3.42Å; T129-R133 PolarHBondContact O-N 3.41Å
130	I	87.4	Confident	84	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-50.6	171.8	-62.9	168.6	0	0	0	110.7	W40 L65 L69 I72 I100 M126 I127 W128 L132 R133 F134	W40-I130 HydrophobicContact CH2-CG2 4.11Å; W40-I130 HydrophobicContact CZ3-CG2 4.37Å; L65-I130 HydrophobicContact CD1-CD1 3.89Å; L69-I130 HydrophobicContact CD2-CD1 4.09Å; L69-I130 HydrophobicContact CD2-CG1 4.3Å; L69-I130 HydrophobicContact CD2-CG2 4.13Å; I72-I130 HydrophobicContact CD1-CG2 3.42Å; I72-I130 VanDerWaalsContact CD1-CG2 3.42Å; I100-I130 HydrophobicContact CD1-CD1 3.54Å; I100-I130 HydrophobicContact CD1-CG1 3.69Å; I100-I130 HydrophobicContact CG1-CD1 4.34Å; I100-I130 HydrophobicContact CG1-CG1 4.09Å; M126-I130 HydrophobicContact CG-CD1 4.3Å; M126-I130 WeakPolarHBondContact O-CG1 3.34Å; M126-I130 PolarHBondContact O-N 2.94Å; M126-I130 VanDerWaalsContact O-N 3.14Å; I127-I130 HydrophobicContact CD1-CD1 4.23Å; I127-I130 PolarHBondContact O-N 3.47Å; W128-I130 VanDerWaalsContact C-N 3.26Å; W128-I130 PolarHBondContact O-N 2.89Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; I130-R133 PolarHBondContact O-N 3.33Å; I130-F134 HydrophobicContact CG2-CD2 3.92Å; I130-F134 HydrophobicContact CG2-CE2 4.42Å; I130-F134 WeakPolarHBondContact O-CD2 3.17Å; I130-F134 PolarHBondContact O-N 3.26Å
131	I	88.4	Confident	83	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-48.4	177.3	-69.1	164.1	0	0	0	110.3	F37 W40 I127 W128 R133 A135 I136 T240	F37-I131 HydrophobicContact CD1-CD1 3.49Å; F37-I131 VanDerWaalsContact CD1-CD1 3.49Å; F37-I131 HydrophobicContact CE1-CD1 3.78Å; F37-I131 HydrophobicContact CG-CD1 4.03Å; W40-I131 HydrophobicContact CD2-CD1 3.91Å; W40-I131 HydrophobicContact CD2-CG1 3.53Å; W40-I131 HydrophobicContact CE3-CD1 3.79Å; W40-I131 HydrophobicContact CE3-CG1 3.4Å; W40-I131 HydrophobicContact CG-CD1 4.23Å; W40-I131 HydrophobicContact CG-CG1 4.26Å; W40-I131 HydrophobicContact CH2-CG1 3.72Å; W40-I131 HydrophobicContact CZ2-CB 4.48Å; W40-I131 HydrophobicContact CZ2-CG1 3.84Å; W40-I131 HydrophobicContact CZ3-CD1 4.3Å; W40-I131 HydrophobicContact CZ3-CG1 3.49Å; W40-I131 VanDerWaalsContact CZ3-CG1 3.49Å; I127-I131 HydrophobicContact CG2-CD1 3.82Å; I127-I131 HydrophobicContact CG2-CG1 4.37Å; I127-I131 VanDerWaalsContact O-CG1 3.3Å; I127-I131 WeakPolarHBondContact O-CG1 3.38Å; I127-I131 PolarHBondContact O-N 3.43Å; W128-I131 HydrophobicContact CE3-CB 4.49Å; W128-I131 HydrophobicContact CE3-CG2 4.46Å; W128-I131 HydrophobicContact CZ3-CG2 4.37Å; W128-I131 PolarHBondContact O-N 3.16Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 3.48Å; I131-A135 HydrophobicContact CG2-CB 4.41Å; I131-A135 WeakPolarHBondContact O-CA 3.33Å; I131-A135 VanDerWaalsContact O-CB 3.3Å; I131-A135 WeakPolarHBondContact O-CB 3.44Å; I131-A135 PolarHBondContact O-N 2.85Å; I131-I136 HydrophobicContact CG2-CD1 4.27Å; I131-I136 PolarHBondContact O-N 3.22Å; I131-T240 HydrophobicContact CD1-CG2 3.86Å; I131-T240 HydrophobicContact CG1-CG2 4.41Å; I131-T240 HydrophobicContact CG2-CG2 3.87Å
132	L	86.4	Confident	81.8	Confident	56 Å²	56	35.7 Å²	35.7	29%	0.293	19%	0.189	S	C	.	.	I	π-helix	trans	-56.9	-47.9	180	-177.3	64.2	0	0	0	110.3	W128 I130 I136 Q137	W128-L132 HydrophobicContact CZ2-CD1 4.27Å; W128-L132 WeakPolarHBondContact O-CB 3.21Å; W128-L132 PolarHBondContact O-N 3.36Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; L132-I136 HydrophobicContact CD1-CB 4.2Å; L132-I136 HydrophobicContact CD1-CG2 4.23Å; L132-I136 CarbonylContact O-C 3.58Å; L132-I136 WeakPolarHBondContact O-CB 3.41Å; L132-I136 PolarHBondContact O-N 3.2Å; L132-Q137 VanDerWaalsContact O-CB 3.28Å; L132-Q137 WeakPolarHBondContact O-CB 3.29Å; L132-Q137 PolarHBondContact O-N 3.11Å
133	R	85.8	Confident	80.4	Confident	61 Å²	61	43 Å²	43	23%	0.23	22%	0.223	C	C	.	.	I	π-helix	trans	-68.3	-51	-177.5	-179.5	60.3	-178.9	124.2	-3	113.6	K103 V105 T129 I130 I131 Q137 D138	K103-R133 PolarHBondContact O-NE 2.98Å; K103-R133 PolarHBondContact O-NH2 3.49Å; V105-R133 HydrophobicContact CG2-CB 3.52Å; V105-R133 HydrophobicContact CG2-CG 3.54Å; T129-R133 WeakPolarHBondContact O-CB 3.42Å; T129-R133 PolarHBondContact O-N 3.41Å; I130-R133 PolarHBondContact O-N 3.33Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 3.48Å; R133-Q137 WeakPolarHBondContact O-CB 3.2Å; R133-D138 IonicContact CZ-OD1 3.68Å; R133-D138 IonicContact NH1-OD1 3.95Å; R133-D138 PolarHBondContact NH1-OD1 3.02Å
134	F	83.7	Confident	79.5	Confident	47 Å²	47	45.2 Å²	45.2	21%	0.206	24%	0.237	C	C	.	.	I	π-helix	trans	-91.8	-22.5	-167	-71.2	-84	0	0	0	113.7	L69 I72 F99 K103 I130	L69-F134 HydrophobicContact CD2-CE2 4.38Å; I72-F134 HydrophobicContact CD1-CB 4Å; I72-F134 HydrophobicContact CD1-CD1 4.25Å; I72-F134 HydrophobicContact CD1-CD2 3.64Å; I72-F134 HydrophobicContact CD1-CE2 4.12Å; I72-F134 HydrophobicContact CD1-CG 3.7Å; I72-F134 HydrophobicContact CG1-CB 4.44Å; I72-F134 HydrophobicContact CG1-CD1 4.17Å; I72-F134 HydrophobicContact CG1-CD2 4.4Å; I72-F134 HydrophobicContact CG1-CG 4.09Å; F99-F134 HydrophobicContact CE1-CZ 4.41Å; K103-F134 HydrophobicContact CB-CZ 3.95Å; K103-F134 HydrophobicContact CG-CE1 4.47Å; K103-F134 HydrophobicContact CG-CZ 3.93Å; I130-F134 HydrophobicContact CG2-CD2 3.92Å; I130-F134 HydrophobicContact CG2-CE2 4.42Å; I130-F134 WeakPolarHBondContact O-CD2 3.17Å; I130-F134 PolarHBondContact O-N 3.26Å
135	A	83.6	Confident	79	Confident	9 Å²	9	48 Å²	48	7%	0.074	26%	0.256	C	S	.	.	I	π-helix	trans	-111.3	-20.5	-179.7	0	0	0	0	0	113.5	W40 I131 I139 H247	W40-A135 HydrophobicContact CZ2-CB 4.28Å; I131-A135 HydrophobicContact CG2-CB 4.41Å; I131-A135 WeakPolarHBondContact O-CA 3.33Å; I131-A135 VanDerWaalsContact O-CB 3.3Å; I131-A135 WeakPolarHBondContact O-CB 3.44Å; I131-A135 PolarHBondContact O-N 2.85Å; A135-I139 WeakPolarHBondContact O-CD1 3.49Å; A135-H247 PolarHBondContact O-NE2 3.05Å
136	I	83.6	Confident	78.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-119.3	-44.9	-173.4	-56.3	178.5	0	0	0	111.6	W128 I131 L132 D138 I139 A146 L150 M239	W128-I136 HydrophobicContact CH2-CD1 4.27Å; W128-I136 HydrophobicContact CZ3-CD1 4.47Å; I131-I136 HydrophobicContact CG2-CD1 4.27Å; I131-I136 PolarHBondContact O-N 3.22Å; L132-I136 HydrophobicContact CD1-CB 4.2Å; L132-I136 HydrophobicContact CD1-CG2 4.23Å; L132-I136 CarbonylContact O-C 3.58Å; L132-I136 WeakPolarHBondContact O-CB 3.41Å; L132-I136 PolarHBondContact O-N 3.2Å; I136-D138 VanDerWaalsContact C-N 3.27Å; I136-D138 PolarHBondContact O-N 3.44Å; I136-D138 VanDerWaalsContact O-N 3.15Å; I136-I139 WeakPolarHBondContact O-CB 3.27Å; I136-I139 VanDerWaalsContact O-CG1 3.28Å; I136-I139 WeakPolarHBondContact O-CG1 3.41Å; I136-I139 PolarHBondContact O-N 3.16Å; I136-A146 HydrophobicContact CG2-CB 4.34Å; I136-A146 WeakPolarHBondContact O-CB 3.35Å; I136-L150 HydrophobicContact CG2-CD2 4.28Å; I136-M239 HydrophobicContact CD1-CB 4.12Å; I136-M239 HydrophobicContact CD1-CE 4Å; I136-M239 HydrophobicContact CG2-CE 4.34Å
137	Q	81.2	Confident	78.3	Confident	94 Å²	94	52.3 Å²	52.3	44%	0.439	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28	-167	-166.1	169.5	-8.8	0	0	114.5	L132 R133 I139 A146	L132-Q137 VanDerWaalsContact O-CB 3.28Å; L132-Q137 WeakPolarHBondContact O-CB 3.29Å; L132-Q137 PolarHBondContact O-N 3.11Å; R133-Q137 WeakPolarHBondContact O-CB 3.2Å; Q137-I139 VanDerWaalsContact C-N 3.26Å; Q137-I139 PolarHBondContact O-N 3.04Å; Q137-A146 VanDerWaalsContact CA-CB 3.4Å; Q137-A146 HydrophobicContact CB-CB 4.49Å; Q137-A146 WeakPolarHBondContact O-CB 3.27Å
138	D	72.3	Confident	78	Confident	112 Å²	112	57.6 Å²	57.6	60%	0.599	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	1.1	177.5	-63.8	-17.4	0	0	0	112.9	R133 I136 S140	R133-D138 IonicContact CZ-OD1 3.68Å; R133-D138 IonicContact NH1-OD1 3.95Å; R133-D138 PolarHBondContact NH1-OD1 3.02Å; I136-D138 VanDerWaalsContact C-N 3.27Å; I136-D138 PolarHBondContact O-N 3.44Å; I136-D138 VanDerWaalsContact O-N 3.15Å; D138-S140 PolarHBondContact O-N 3.3Å
139	I	75.3	Confident	77.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.292	C	S	.	.			trans	-79.7	98.1	171.9	-57.6	178.1	0	0	0	108.1	A135 I136 Q137 V141 A146 L150 Y246	A135-I139 WeakPolarHBondContact O-CD1 3.49Å; I136-I139 WeakPolarHBondContact O-CB 3.27Å; I136-I139 VanDerWaalsContact O-CG1 3.28Å; I136-I139 WeakPolarHBondContact O-CG1 3.41Å; I136-I139 PolarHBondContact O-N 3.16Å; Q137-I139 VanDerWaalsContact C-N 3.26Å; Q137-I139 PolarHBondContact O-N 3.04Å; I139-V141 HydrophobicContact CG2-CG2 4.46Å; I139-A146 WeakPolarHBondContact O-CA 3.35Å; I139-L150 HydrophobicContact CD1-CD1 3.98Å; I139-L150 HydrophobicContact CD1-CD2 4.48Å; I139-L150 HydrophobicContact CG2-CB 4.47Å; I139-Y246 HydrophobicContact CB-CE1 4.16Å; I139-Y246 HydrophobicContact CD1-CD1 3.47Å; I139-Y246 VanDerWaalsContact CD1-CD1 3.47Å; I139-Y246 HydrophobicContact CD1-CE1 3.96Å; I139-Y246 HydrophobicContact CD1-CG 3.87Å; I139-Y246 HydrophobicContact CG1-CD1 3.68Å; I139-Y246 HydrophobicContact CG1-CE1 3.63Å; I139-Y246 HydrophobicContact CG1-CG 4.45Å; I139-Y246 HydrophobicContact CG2-CD1 4.18Å; I139-Y246 HydrophobicContact CG2-CD2 4.28Å; I139-Y246 HydrophobicContact CG2-CE1 3.73Å; I139-Y246 HydrophobicContact CG2-CE2 3.84Å; I139-Y246 HydrophobicContact CG2-CG 4.44Å
140	S	65.8	Low	77.7	Confident	91 Å²	91	54.8 Å²	54.8	64%	0.636	28%	0.283	S	S	*	.			trans	-109.4	122.6	170.5	64	0	0	0	0	110.5	D138	D138-S140 PolarHBondContact O-N 3.3Å
141	V	64.1	Low	77.8	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.17	29%	0.292	C	S	.	.	S	Bend	trans	-127.8	115	171.8	-178.5	0	0	0	0	106.1	I139 E143 T144 L152 Y246	I139-V141 HydrophobicContact CG2-CG2 4.46Å; V141-E143 PolarHBondContact O-N 3.47Å; V141-T144 PolarHBondContact O-N 2.67Å; V141-T144 PolarHBondContact O-OG1 3.11Å; V141-L152 HydrophobicContact CG1-CD2 4.46Å; V141-Y246 HydrophobicContact CG2-CE2 4.48Å
142	E	58.8	Low	77.7	Confident	118 Å²	118	58.3 Å²	58.3	55%	0.551	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	46.6	177.4	-62	179.8	173.4	0	0	113.9	T144 R156	E142-T144 PolarHBondContact O-N 3.47Å; E142-R156 IonicContact OE1-CZ 3.07Å; E142-R156 VanDerWaalsContact OE1-CZ 3.22Å; E142-R156 IonicContact OE1-NH1 3.79Å; E142-R156 PolarHBondContact OE1-NH1 3.21Å; E142-R156 IonicContact OE1-NH2 2.92Å; E142-R156 PolarHBondContact OE1-NH2 3.42Å; E142-R156 IonicContact OE2-CZ 3.91Å; E142-R156 IonicContact OE2-NH1 2.67Å; E142-R156 IonicContact OE2-NH2 3.33Å; E142-R156 PolarHBondContact OE2-NH2 3.47Å
143	E	59.2	Low	77.7	Confident	202 Å²	202	56.8 Å²	56.8	94%	0.944	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	10.9	173	-58.7	-177.4	168.1	0	0	115.7	V141	V141-E143 PolarHBondContact O-N 3.47Å
144	T	68.1	Low	77.9	Confident	49 Å²	49	53.9 Å²	53.9	30%	0.301	28%	0.281	S	S	.	.			trans	-80	159	175.3	57.6	0	0	0	0	112.4	V141 E142 G149	V141-T144 PolarHBondContact O-N 2.67Å; V141-T144 PolarHBondContact O-OG1 3.11Å; E142-T144 PolarHBondContact O-N 3.47Å; T144-G149 VanDerWaalsContact OG1-CA 3.26Å; T144-G149 WeakPolarHBondContact OG1-CA 3.35Å; T144-G149 PolarHBondContact OG1-N 2.87Å
145	S	75.3	Confident	78.2	Confident	61 Å²	61	55 Å²	55	43%	0.427	29%	0.287	S	S	.	.			trans	-60	149.4	176	73.8	0	0	0	0	110.4	K147 E148 G149	S145-K147 VanDerWaalsContact C-N 3.26Å; S145-K147 PolarHBondContact O-N 3.44Å; S145-E148 WeakPolarHBondContact CB-OE2 3.4Å; S145-E148 PolarHBondContact N-OE2 3.45Å; S145-E148 CarbonylContact O-C 3.58Å; S145-E148 WeakPolarHBondContact O-CA 3.29Å; S145-E148 WeakPolarHBondContact O-CB 3.44Å; S145-E148 PolarHBondContact O-N 2.91Å; S145-E148 VanDerWaalsContact OG-CG 3.29Å; S145-E148 WeakPolarHBondContact OG-CG 3.15Å; S145-E148 PolarHBondContact OG-OE2 3.4Å; S145-G149 PolarHBondContact O-N 2.76Å
146	A	78.5	Confident	78.3	Confident	19 Å²	19	61 Å²	61	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-54.9	-35.5	-170.6	0	0	0	0	0	116.1	I136 Q137 I139 L150	I136-A146 HydrophobicContact CG2-CB 4.34Å; I136-A146 WeakPolarHBondContact O-CB 3.35Å; Q137-A146 VanDerWaalsContact CA-CB 3.4Å; Q137-A146 HydrophobicContact CB-CB 4.49Å; Q137-A146 WeakPolarHBondContact O-CB 3.27Å; I139-A146 WeakPolarHBondContact O-CA 3.35Å; A146-L150 WeakPolarHBondContact O-CB 3.35Å; A146-L150 PolarHBondContact O-N 3.42Å
147	K	82.3	Confident	78.5	Confident	91 Å²	91	64.2 Å²	64.2	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-67.6	-44.7	174.6	177.8	179.8	-179.8	-176.4	0	111.2	S145 L151 F169 E235 M239	S145-K147 VanDerWaalsContact C-N 3.26Å; S145-K147 PolarHBondContact O-N 3.44Å; K147-L151 WeakPolarHBondContact O-CB 3.4Å; K147-L151 PolarHBondContact O-N 3.18Å; K147-F169 HydrophobicContact CG-CE2 4.23Å; K147-E235 WeakPolarHBondContact CE-OE1 3.37Å; K147-E235 IonicContact NZ-OE1 3.12Å; K147-E235 PolarHBondContact NZ-OE1 3Å; K147-E235 IonicContact NZ-OE2 3.33Å; K147-M239 HydrophobicContact CB-CE 4.1Å; K147-M239 HydrophobicContact CD-CE 4.11Å; K147-M239 HydrophobicContact CD-SD 4.26Å; K147-M239 HydrophobicContact CG-CE 3.7Å; K147-M239 HydrophobicContact CG-SD 4.25Å
148	E	82.8	Confident	78.9	Confident	111 Å²	111	59.9 Å²	59.9	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-39.7	177.6	-67.9	167.6	156.5	0	0	111.2	S145 L151 L152	S145-E148 WeakPolarHBondContact CB-OE2 3.4Å; S145-E148 PolarHBondContact N-OE2 3.45Å; S145-E148 CarbonylContact O-C 3.58Å; S145-E148 WeakPolarHBondContact O-CA 3.29Å; S145-E148 WeakPolarHBondContact O-CB 3.44Å; S145-E148 PolarHBondContact O-N 2.91Å; S145-E148 VanDerWaalsContact OG-CG 3.29Å; S145-E148 WeakPolarHBondContact OG-CG 3.15Å; S145-E148 PolarHBondContact OG-OE2 3.4Å; E148-L151 PolarHBondContact O-N 3.47Å; E148-L152 VanDerWaalsContact O-CB 3.23Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 PolarHBondContact O-N 3.11Å
149	G	83.2	Confident	79.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-42.6	175.6	0	0	0	0	0	112.4	T144 S145 W153	T144-G149 VanDerWaalsContact OG1-CA 3.26Å; T144-G149 WeakPolarHBondContact OG1-CA 3.35Å; T144-G149 PolarHBondContact OG1-N 2.87Å; S145-G149 PolarHBondContact O-N 2.76Å; G149-W153 WeakPolarHBondContact O-CB 3.43Å; G149-W153 PolarHBondContact O-N 2.91Å
150	L	87.1	Confident	80.3	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-39.9	173.3	-176.3	60.4	0	0	0	111.8	I136 I139 A146 W153 C154 F169 V242 Y246	I136-L150 HydrophobicContact CG2-CD2 4.28Å; I139-L150 HydrophobicContact CD1-CD1 3.98Å; I139-L150 HydrophobicContact CD1-CD2 4.48Å; I139-L150 HydrophobicContact CG2-CB 4.47Å; A146-L150 WeakPolarHBondContact O-CB 3.35Å; A146-L150 PolarHBondContact O-N 3.42Å; L150-W153 HydrophobicContact CD1-CE3 4.18Å; L150-W153 PolarHBondContact O-N 3.1Å; L150-C154 PolarHBondContact O-N 3.46Å; L150-C154 PolarHBondContact O-SG 2.86Å; L150-F169 HydrophobicContact CB-CZ 4.23Å; L150-F169 HydrophobicContact CD2-CE1 4.4Å; L150-F169 HydrophobicContact CD2-CZ 4.11Å; L150-F169 HydrophobicContact CG-CE1 4.35Å; L150-F169 HydrophobicContact CG-CZ 3.91Å; L150-V242 HydrophobicContact CD1-CG1 4.35Å; L150-V242 HydrophobicContact CG-CG1 4.48Å; L150-Y246 HydrophobicContact CD1-CD2 4.22Å; L150-Y246 HydrophobicContact CD1-CG 4.16Å
151	L	88.4	Confident	81.4	Confident	33 Å²	33	59 Å²	59	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-45.9	177.2	-176.2	63.1	0	0	0	111.5	K147 E148 W153 C154 Q155 I166 F169	K147-L151 WeakPolarHBondContact O-CB 3.4Å; K147-L151 PolarHBondContact O-N 3.18Å; E148-L151 PolarHBondContact O-N 3.47Å; L151-W153 VanDerWaalsContact C-N 3.31Å; L151-W153 PolarHBondContact O-N 2.8Å; L151-C154 WeakPolarHBondContact O-CB 3.42Å; L151-C154 PolarHBondContact O-N 2.74Å; L151-C154 VanDerWaalsContact O-N 3.11Å; L151-Q155 WeakPolarHBondContact O-CG 3.18Å; L151-Q155 PolarHBondContact O-N 3.06Å; L151-I166 HydrophobicContact CD1-CG2 3.83Å; L151-F169 HydrophobicContact CB-CE2 3.81Å; L151-F169 HydrophobicContact CB-CZ 3.9Å; L151-F169 HydrophobicContact CD1-CD2 4.47Å; L151-F169 HydrophobicContact CD1-CE2 4.07Å; L151-F169 HydrophobicContact CD1-CZ 4.1Å; L151-F169 HydrophobicContact CG-CE2 4.45Å
152	L	85.9	Confident	82.3	Confident	40 Å²	40	68 Å²	68	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-40.6	177	-178.7	63.3	0	0	0	110.9	V141 E148 Q155 R156	V141-L152 HydrophobicContact CG1-CD2 4.46Å; E148-L152 VanDerWaalsContact O-CB 3.23Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 PolarHBondContact O-N 3.11Å; L152-Q155 PolarHBondContact O-N 2.78Å; L152-R156 HydrophobicContact CD1-CG 4.39Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 WeakPolarHBondContact O-CG 3.4Å; L152-R156 PolarHBondContact O-N 3.08Å
153	W	87.7	Confident	83.6	Confident	25 Å²	25	65.6 Å²	65.6	10%	0.095	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-48.3	172.1	176.3	87.8	0	0	0	111.2	G149 L150 L151 Q155 R156 K157 L182 H186 F245 Y246 F249	G149-W153 WeakPolarHBondContact O-CB 3.43Å; G149-W153 PolarHBondContact O-N 2.91Å; L150-W153 HydrophobicContact CD1-CE3 4.18Å; L150-W153 PolarHBondContact O-N 3.1Å; L151-W153 VanDerWaalsContact C-N 3.31Å; L151-W153 PolarHBondContact O-N 2.8Å; W153-Q155 PolarHBondContact O-N 3.01Å; W153-R156 PolarHBondContact O-N 3.47Å; W153-K157 HydrophobicContact CD2-CG 4.22Å; W153-K157 HydrophobicContact CG-CG 4.4Å; W153-K157 HydrophobicContact CZ2-CG 4.36Å; W153-K157 WeakPolarHBondContact O-CB 3.37Å; W153-K157 VanDerWaalsContact O-CG 3.23Å; W153-K157 WeakPolarHBondContact O-CG 3.33Å; W153-K157 PolarHBondContact O-N 3.14Å; W153-L182 HydrophobicContact CE3-CD2 4.41Å; W153-L182 HydrophobicContact CH2-CD1 4.37Å; W153-L182 HydrophobicContact CH2-CD2 4.01Å; W153-L182 HydrophobicContact CZ3-CD1 3.9Å; W153-L182 HydrophobicContact CZ3-CD2 3.86Å; W153-H186 AromaticContact CZ2-CE1 3.47Å; W153-H186 VanDerWaalsContact CZ2-CE1 3.47Å; W153-H186 WeakPolarHBondContact CZ2-CE1 3.48Å; W153-H186 AromaticContact CZ2-NE2 3.74Å; W153-F245 HydrophobicContact CH2-CB 4.46Å; W153-Y246 HydrophobicContact CB-CD2 4.41Å; W153-Y246 HydrophobicContact CB-CE2 4.39Å; W153-Y246 AromaticContact CD1-CD2 3.85Å; W153-Y246 AromaticContact CD1-CE2 3.67Å; W153-Y246 AromaticContact CD2-CD2 3.55Å; W153-Y246 HydrophobicContact CD2-CD2 3.55Å; W153-Y246 HydrophobicContact CD2-CE2 4.17Å; W153-Y246 AromaticContact CE2-CD2 3.62Å; W153-Y246 AromaticContact CE3-CD2 3.99Å; W153-Y246 HydrophobicContact CE3-CD2 3.99Å; W153-Y246 AromaticContact CG-CD2 3.72Å; W153-Y246 HydrophobicContact CG-CD2 3.72Å; W153-Y246 AromaticContact CG-CE2 3.85Å; W153-Y246 HydrophobicContact CG-CE2 3.85Å; W153-Y246 HydrophobicContact CZ2-CD2 4.15Å; W153-Y246 HydrophobicContact CZ3-CD2 4.46Å; W153-Y246 AromaticContact NE1-CD2 3.77Å; W153-Y246 AromaticContact NE1-CE2 3.87Å; W153-F249 HydrophobicContact CH2-CD2 4.31Å; W153-F249 HydrophobicContact CZ2-CD2 4.35Å
154	C	89.1	Confident	85.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-47.8	177.7	-65.1	0	0	0	0	111.6	L150 L151 K157 T158 I166 W173 V242	L150-C154 PolarHBondContact O-N 3.46Å; L150-C154 PolarHBondContact O-SG 2.86Å; L151-C154 WeakPolarHBondContact O-CB 3.42Å; L151-C154 PolarHBondContact O-N 2.74Å; L151-C154 VanDerWaalsContact O-N 3.11Å; C154-K157 PolarHBondContact O-N 3.24Å; C154-T158 WeakPolarHBondContact O-CB 3.27Å; C154-T158 WeakPolarHBondContact O-CG2 3.34Å; C154-T158 PolarHBondContact O-N 3.43Å; C154-T158 PolarHBondContact O-OG1 2.85Å; C154-I166 HydrophobicContact CB-CG2 4.24Å; C154-W173 HydrophobicContact CB-CH2 4.2Å; C154-W173 HydrophobicContact CB-CZ2 4.05Å; C154-V242 WeakPolarHBondContact SG-CG1 3.28Å
155	Q	89.3	Confident	86.1	Confident	71 Å²	71	59.5 Å²	59.5	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-48.9	178.3	-76	172.1	-10	0	0	111.8	L151 L152 W153 K157 T158 A159 I166	L151-Q155 WeakPolarHBondContact O-CG 3.18Å; L151-Q155 PolarHBondContact O-N 3.06Å; L152-Q155 PolarHBondContact O-N 2.78Å; W153-Q155 PolarHBondContact O-N 3.01Å; Q155-K157 PolarHBondContact O-N 3.25Å; Q155-T158 CarbonylContact O-C 3.59Å; Q155-T158 PolarHBondContact O-N 3.4Å; Q155-A159 WeakPolarHBondContact O-CA 3.15Å; Q155-A159 VanDerWaalsContact O-CB 3.3Å; Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 3.08Å; Q155-I166 HydrophobicContact CG-CB 4.38Å; Q155-I166 WeakPolarHBondContact CG-O 3.41Å; Q155-I166 PolarHBondContact NE2-O 2.7Å
156	R	86.5	Confident	86.9	Confident	133 Å²	133	56.8 Å²	56.8	50%	0.502	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-39.4	-179.7	-78.2	-171.2	170.3	178.7	4.1	112.7	E142 L152 W153 T158	E142-R156 IonicContact OE1-CZ 3.07Å; E142-R156 VanDerWaalsContact OE1-CZ 3.22Å; E142-R156 IonicContact OE1-NH1 3.79Å; E142-R156 PolarHBondContact OE1-NH1 3.21Å; E142-R156 IonicContact OE1-NH2 2.92Å; E142-R156 PolarHBondContact OE1-NH2 3.42Å; E142-R156 IonicContact OE2-CZ 3.91Å; E142-R156 IonicContact OE2-NH1 2.67Å; E142-R156 IonicContact OE2-NH2 3.33Å; E142-R156 PolarHBondContact OE2-NH2 3.47Å; L152-R156 HydrophobicContact CD1-CG 4.39Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 WeakPolarHBondContact O-CG 3.4Å; L152-R156 PolarHBondContact O-N 3.08Å; W153-R156 PolarHBondContact O-N 3.47Å; R156-T158 VanDerWaalsContact C-N 3.34Å
157	K	88.8	Confident	87.4	Confident	68 Å²	68	61.7 Å²	61.7	30%	0.296	30%	0.304	S	S	.	.	H	α-helix	trans	-72.2	-30.8	179.5	-64.9	-64.5	-175.6	172.1	0	111.9	W153 C154 Q155 L182 R185 H186	W153-K157 HydrophobicContact CD2-CG 4.22Å; W153-K157 HydrophobicContact CG-CG 4.4Å; W153-K157 HydrophobicContact CZ2-CG 4.36Å; W153-K157 WeakPolarHBondContact O-CB 3.37Å; W153-K157 VanDerWaalsContact O-CG 3.23Å; W153-K157 WeakPolarHBondContact O-CG 3.33Å; W153-K157 PolarHBondContact O-N 3.14Å; C154-K157 PolarHBondContact O-N 3.24Å; Q155-K157 PolarHBondContact O-N 3.25Å; K157-L182 HydrophobicContact CB-CD2 3.72Å; K157-R185 HydrophobicContact CB-CG 4.25Å; K157-R185 HydrophobicContact CD-CG 4.28Å; K157-R185 WeakPolarHBondContact O-CD 3.48Å; K157-R185 VanDerWaalsContact O-CG 3.25Å; K157-R185 WeakPolarHBondContact O-CG 3.17Å; K157-H186 WeakPolarHBondContact CD-NE2 3.38Å; K157-H186 WeakPolarHBondContact CE-NE2 2.76Å
158	T	88.3	Confident	87.7	Confident	3 Å²	3	59 Å²	59	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-96.3	-9.2	179.5	59.8	0	0	0	0	114.6	C154 Q155 R156 P160 Y161 V164 A181 L182	C154-T158 WeakPolarHBondContact O-CB 3.27Å; C154-T158 WeakPolarHBondContact O-CG2 3.34Å; C154-T158 PolarHBondContact O-N 3.43Å; C154-T158 PolarHBondContact O-OG1 2.85Å; Q155-T158 CarbonylContact O-C 3.59Å; Q155-T158 PolarHBondContact O-N 3.4Å; R156-T158 VanDerWaalsContact C-N 3.34Å; T158-P160 VanDerWaalsContact C-N 3.29Å; T158-P160 VanDerWaalsContact O-N 3.1Å; T158-Y161 WeakPolarHBondContact O-CD2 3.41Å; T158-Y161 PolarHBondContact O-N 3.39Å; T158-V164 HydrophobicContact CG2-CG1 4.31Å; T158-A181 HydrophobicContact CG2-CB 3.88Å; T158-L182 HydrophobicContact CG2-CD2 3.85Å; T158-L182 HydrophobicContact CG2-CG 3.89Å
159	A	88.8	Confident	88	Confident	77 Å²	77	53.8 Å²	53.8	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-34.4	179.1	0	0	0	0	0	115.6	Q155 Y161	Q155-A159 WeakPolarHBondContact O-CA 3.15Å; Q155-A159 VanDerWaalsContact O-CB 3.3Å; Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 3.08Å; A159-Y161 PolarHBondContact O-N 3.5Å
160	P	87.8	Confident	88.1	Confident	83 Å²	83	55 Å²	55	54%	0.539	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.9	176.2	-23.1	35.9	0	0	0	115.1	T158	T158-P160 VanDerWaalsContact C-N 3.29Å; T158-P160 VanDerWaalsContact O-N 3.1Å
161	Y	89.1	Confident	88.1	Confident	28 Å²	28	59.4 Å²	59.4	11%	0.11	30%	0.298	C	S	.	.			trans	-94.5	101.8	-174.4	-60.1	-95.3	0	0	0	110.6	T158 A159 N163 V164 A181 H184 R185 Y193	T158-Y161 WeakPolarHBondContact O-CD2 3.41Å; T158-Y161 PolarHBondContact O-N 3.39Å; A159-Y161 PolarHBondContact O-N 3.5Å; Y161-N163 PolarHBondContact O-N 3.22Å; Y161-N163 VanDerWaalsContact O-N 3.08Å; Y161-V164 PolarHBondContact O-N 3.34Å; Y161-A181 HydrophobicContact CD1-CB 4.13Å; Y161-A181 HydrophobicContact CD2-CB 3.81Å; Y161-A181 HydrophobicContact CE1-CB 4.33Å; Y161-A181 HydrophobicContact CE2-CB 4.01Å; Y161-A181 HydrophobicContact CG-CB 3.85Å; Y161-A181 PolarHBondContact OH-O 3.41Å; Y161-H184 AromaticContact CE1-ND1 3.47Å; Y161-H184 WeakPolarHBondContact CE1-ND1 3.32Å; Y161-H184 AromaticContact CZ-ND1 3.52Å; Y161-H184 PolarHBondContact OH-ND1 2.87Å; Y161-R185 HydrophobicContact CE2-CB 4.19Å; Y161-R185 WeakPolarHBondContact OH-CA 3.39Å; Y161-R185 PolarHBondContact OH-N 2.71Å; Y161-R185 VanDerWaalsContact OH-N 3.11Å; Y161-Y193 AromaticContact CD1-CD1 3.85Å; Y161-Y193 HydrophobicContact CD1-CD1 3.85Å; Y161-Y193 HydrophobicContact CD1-CD2 4.33Å; Y161-Y193 AromaticContact CD1-CE1 3.51Å; Y161-Y193 HydrophobicContact CD1-CE1 3.51Å; Y161-Y193 HydrophobicContact CD1-CE2 4.05Å; Y161-Y193 HydrophobicContact CD1-CG 4.25Å; Y161-Y193 AromaticContact CD1-CZ 3.61Å; Y161-Y193 HydrophobicContact CE1-CD1 4.07Å; Y161-Y193 HydrophobicContact CE1-CD2 4.13Å; Y161-Y193 HydrophobicContact CE1-CE1 4.15Å; Y161-Y193 HydrophobicContact CE1-CE2 4.22Å; Y161-Y193 HydrophobicContact CE1-CG 4.05Å; Y161-Y193 HydrophobicContact CG-CE1 4.46Å
162	K	84.2	Confident	88.2	Confident	216 Å²	216	58.7 Å²	58.7	94%	0.939	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26	-174.3	-63.8	-175.8	179.3	-179	0	114.8
163	N	85.6	Confident	88.5	Confident	68 Å²	68	56.8 Å²	56.8	36%	0.364	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.1	-179.4	61.2	-23.3	0	0	0	113.7	Y161 L177 Y193	Y161-N163 PolarHBondContact O-N 3.22Å; Y161-N163 VanDerWaalsContact O-N 3.08Å; N163-L177 HydrophobicContact CB-CD1 4.41Å; N163-Y193 PolarHBondContact ND2-OH 3.16Å; N163-Y193 WeakPolarHBondContact OD1-CE1 3.3Å; N163-Y193 PolarHBondContact OD1-OH 3.08Å
164	V	89.9	Confident	88.5	Confident	15 Å²	15	58.3 Å²	58.3	9%	0.091	29%	0.293	C	S	.	.			trans	-120.7	128.2	-179.4	174	0	0	0	0	109.9	T158 Y161 I166 L177 A181 Y193	T158-V164 HydrophobicContact CG2-CG1 4.31Å; Y161-V164 PolarHBondContact O-N 3.34Å; V164-I166 HydrophobicContact CG1-CD1 3.7Å; V164-I166 HydrophobicContact CG1-CG1 3.77Å; V164-L177 HydrophobicContact CG2-CB 3.63Å; V164-A181 HydrophobicContact CG2-CB 4.11Å; V164-Y193 WeakPolarHBondContact CG2-OH 3.41Å
165	N	89.8	Confident	88.5	Confident	108 Å²	108	59.7 Å²	59.7	58%	0.578	30%	0.3	S	S	*	.			trans	-136	99.2	174.8	-178.8	18.9	0	0	0	110.1	Q167 S172	N165-Q167 PolarHBondContact ND2-NE2 2.79Å; N165-S172 PolarHBondContact O-OG 3.44Å
166	I	91.6	Very high	88.4	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	28%	0.284	C	S	.	.			trans	-90.1	108.1	-177.7	-52.9	-55.5	0	0	0	110.1	L151 C154 Q155 V164 W173	L151-I166 HydrophobicContact CD1-CG2 3.83Å; C154-I166 HydrophobicContact CB-CG2 4.24Å; Q155-I166 HydrophobicContact CG-CB 4.38Å; Q155-I166 WeakPolarHBondContact CG-O 3.41Å; Q155-I166 PolarHBondContact NE2-O 2.7Å; V164-I166 HydrophobicContact CG1-CD1 3.7Å; V164-I166 HydrophobicContact CG1-CG1 3.77Å; I166-W173 HydrophobicContact CD1-CD2 4.19Å; I166-W173 HydrophobicContact CD1-CE3 4.46Å; I166-W173 HydrophobicContact CD1-CH2 4.41Å; I166-W173 HydrophobicContact CD1-CZ2 4.15Å; I166-W173 HydrophobicContact CG1-CZ2 4.28Å; I166-W173 HydrophobicContact CG2-CZ2 3.62Å
167	Q	88.9	Confident	88.6	Confident	122 Å²	122	50 Å²	50	57%	0.57	26%	0.261	S	S	*	.			trans	-116.7	-22.5	179	-65.4	-175.7	-12.7	0	0	112.8	N165 S172	N165-Q167 PolarHBondContact ND2-NE2 2.79Å; Q167-S172 PolarHBondContact N-OG 3.07Å
168	N	88.9	Confident	88.7	Confident	36 Å²	36	46.7 Å²	46.7	19%	0.193	25%	0.246	C	C	.	.	S	Bend	trans	-148.7	169.5	-178.5	53.3	66.7	0	0	0	110.2	H170 I171 S172 W173	N168-H170 VanDerWaalsContact C-N 3.31Å; N168-H170 PolarHBondContact OD1-CE1 2.76Å; N168-H170 PolarHBondContact OD1-N 3.25Å; N168-H170 VanDerWaalsContact OD1-N 3.11Å; N168-H170 PolarHBondContact OD1-ND1 3.02Å; N168-I171 PolarHBondContact OD1-N 2.91Å; N168-S172 PolarHBondContact N-OG 3.01Å; N168-S172 WeakPolarHBondContact O-CB 3.4Å; N168-S172 PolarHBondContact OD1-N 2.63Å; N168-W173 PolarHBondContact O-NE1 3.06Å
169	F	89.6	Confident	88.9	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.246	C	C	.	.	S	Bend	trans	-92.9	26	174.5	-67.9	-74.9	0	0	0	112.9	K147 L150 L151 W173 E235 I238 M239 V242	K147-F169 HydrophobicContact CG-CE2 4.23Å; L150-F169 HydrophobicContact CB-CZ 4.23Å; L150-F169 HydrophobicContact CD2-CE1 4.4Å; L150-F169 HydrophobicContact CD2-CZ 4.11Å; L150-F169 HydrophobicContact CG-CE1 4.35Å; L150-F169 HydrophobicContact CG-CZ 3.91Å; L151-F169 HydrophobicContact CB-CE2 3.81Å; L151-F169 HydrophobicContact CB-CZ 3.9Å; L151-F169 HydrophobicContact CD1-CD2 4.47Å; L151-F169 HydrophobicContact CD1-CE2 4.07Å; L151-F169 HydrophobicContact CD1-CZ 4.1Å; L151-F169 HydrophobicContact CG-CE2 4.45Å; F169-W173 HydrophobicContact CD1-CZ2 4.43Å; F169-W173 AromaticContact CD1-NE1 3.85Å; F169-W173 HydrophobicContact CE1-CZ2 4.4Å; F169-E235 HydrophobicContact CB-CG 3.7Å; F169-E235 WeakPolarHBondContact O-CA 3.32Å; F169-I238 HydrophobicContact CB-CG2 4.17Å; F169-I238 HydrophobicContact CD1-CG2 4.21Å; F169-I238 WeakPolarHBondContact O-CB 3.5Å; F169-I238 WeakPolarHBondContact O-CD1 3.43Å; F169-I238 WeakPolarHBondContact O-CG2 3.37Å; F169-M239 HydrophobicContact CB-CG 3.55Å; F169-M239 HydrophobicContact CB-SD 4.42Å; F169-M239 HydrophobicContact CD1-CG 3.79Å; F169-M239 HydrophobicContact CD2-CG 3.41Å; F169-M239 VanDerWaalsContact CD2-CG 3.41Å; F169-M239 HydrophobicContact CD2-SD 3.82Å; F169-M239 HydrophobicContact CE1-CG 4.3Å; F169-M239 HydrophobicContact CE2-CG 3.96Å; F169-M239 HydrophobicContact CE2-SD 4.33Å; F169-M239 HydrophobicContact CG-CG 3.31Å; F169-M239 HydrophobicContact CG-SD 4.26Å; F169-M239 HydrophobicContact CZ-CG 4.37Å; F169-V242 HydrophobicContact CE1-CB 4.36Å; F169-V242 HydrophobicContact CE1-CG1 4.11Å
170	H	86	Confident	89	Confident	24 Å²	24	43 Å²	43	11%	0.111	22%	0.215	C	C	.	.	S	Bend	trans	-126.6	-80.4	175.4	50.2	78.8	0	0	0	112.8	N168 R232 P233	N168-H170 VanDerWaalsContact C-N 3.31Å; N168-H170 PolarHBondContact OD1-CE1 2.76Å; N168-H170 PolarHBondContact OD1-N 3.25Å; N168-H170 VanDerWaalsContact OD1-N 3.11Å; N168-H170 PolarHBondContact OD1-ND1 3.02Å; H170-R232 HydrophobicContact CB-CG 4.21Å; H170-R232 PolarHBondContact CD2-NH2 3.22Å; H170-R232 PolarHBondContact NE2-NH2 3.3Å; H170-P233 WeakPolarHBondContact CB-O 3.33Å
171	I	86.9	Confident	89.2	Confident	93 Å²	93	39 Å²	39	48%	0.477	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-76.4	-31.8	-169.8	-67.4	158.3	0	0	0	110.8	N168 W173 K174 R232	N168-I171 PolarHBondContact OD1-N 2.91Å; I171-W173 PolarHBondContact O-N 3.29Å; I171-W173 VanDerWaalsContact O-N 3.11Å; I171-K174 WeakPolarHBondContact O-CB 3.3Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.17Å; I171-R232 HydrophobicContact CD1-CG 4.47Å; I171-R232 HydrophobicContact CG1-CG 4.35Å
172	S	90.2	Very high	89.2	Confident	19 Å²	19	37.7 Å²	37.7	13%	0.133	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.2	-17.4	178.8	-71.6	0	0	0	0	114.7	N165 Q167 N168	N165-S172 PolarHBondContact O-OG 3.44Å; Q167-S172 PolarHBondContact N-OG 3.07Å; N168-S172 PolarHBondContact N-OG 3.01Å; N168-S172 WeakPolarHBondContact O-CB 3.4Å; N168-S172 PolarHBondContact OD1-N 2.63Å
173	W	91.3	Very high	89.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-104.2	-4.5	-178	-61	85.8	0	0	0	112.9	C154 I166 N168 F169 I171 D175 G176 F179 L182 I238 V242	C154-W173 HydrophobicContact CB-CH2 4.2Å; C154-W173 HydrophobicContact CB-CZ2 4.05Å; I166-W173 HydrophobicContact CD1-CD2 4.19Å; I166-W173 HydrophobicContact CD1-CE3 4.46Å; I166-W173 HydrophobicContact CD1-CH2 4.41Å; I166-W173 HydrophobicContact CD1-CZ2 4.15Å; I166-W173 HydrophobicContact CG1-CZ2 4.28Å; I166-W173 HydrophobicContact CG2-CZ2 3.62Å; N168-W173 PolarHBondContact O-NE1 3.06Å; F169-W173 HydrophobicContact CD1-CZ2 4.43Å; F169-W173 AromaticContact CD1-NE1 3.85Å; F169-W173 HydrophobicContact CE1-CZ2 4.4Å; I171-W173 PolarHBondContact O-N 3.29Å; I171-W173 VanDerWaalsContact O-N 3.11Å; W173-D175 VanDerWaalsContact C-N 3.3Å; W173-D175 PolarHBondContact O-N 3.48Å; W173-G176 PolarHBondContact O-N 2.89Å; W173-F179 HydrophobicContact CB-CE2 3.93Å; W173-F179 HydrophobicContact CB-CZ 4.34Å; W173-F179 HydrophobicContact CD2-CE2 4.39Å; W173-F179 HydrophobicContact CD2-CZ 4.25Å; W173-F179 AromaticContact CE3-CD1 3.75Å; W173-F179 HydrophobicContact CE3-CD1 3.75Å; W173-F179 AromaticContact CE3-CD2 3.83Å; W173-F179 HydrophobicContact CE3-CD2 3.83Å; W173-F179 AromaticContact CE3-CE1 3.7Å; W173-F179 HydrophobicContact CE3-CE1 3.7Å; W173-F179 AromaticContact CE3-CE2 3.79Å; W173-F179 HydrophobicContact CE3-CE2 3.79Å; W173-F179 AromaticContact CE3-CG 3.82Å; W173-F179 HydrophobicContact CE3-CG 3.82Å; W173-F179 AromaticContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CG-CE2 4.49Å; W173-F179 AromaticContact CZ3-CD1 3.76Å; W173-F179 HydrophobicContact CZ3-CD1 3.76Å; W173-F179 AromaticContact CZ3-CE1 3.95Å; W173-F179 HydrophobicContact CZ3-CE1 3.95Å; W173-F179 HydrophobicContact CZ3-CG 4.08Å; W173-F179 HydrophobicContact CZ3-CZ 4.43Å; W173-L182 HydrophobicContact CH2-CD1 3.52Å; W173-L182 HydrophobicContact CH2-CG 4.3Å; W173-L182 HydrophobicContact CZ3-CD1 3.86Å; W173-I238 HydrophobicContact CB-CD1 4.16Å; W173-I238 HydrophobicContact CB-CG2 4.23Å; W173-I238 HydrophobicContact CD2-CG2 4.14Å; W173-I238 HydrophobicContact CG-CG2 3.76Å; W173-V242 HydrophobicContact CD2-CG2 4.38Å; W173-V242 HydrophobicContact CE3-CG2 4.25Å; W173-V242 HydrophobicContact CH2-CG1 4.14Å; W173-V242 HydrophobicContact CH2-CG2 3.79Å; W173-V242 HydrophobicContact CZ2-CG1 4.31Å; W173-V242 HydrophobicContact CZ2-CG2 3.9Å; W173-V242 HydrophobicContact CZ3-CG2 3.96Å
174	K	88.6	Confident	89.8	Confident	57 Å²	57	26.6 Å²	26.6	25%	0.248	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.9	-170.7	-171	174.1	179.5	171.5	0	113.5	I171 G176 I227 V228 T230 A231 P233	I171-K174 WeakPolarHBondContact O-CB 3.3Å; I171-K174 PolarHBondContact O-N 3.38Å; I171-K174 VanDerWaalsContact O-N 3.17Å; K174-G176 VanDerWaalsContact C-N 3.3Å; K174-I227 WeakPolarHBondContact CE-O 3.47Å; K174-I227 HydrophobicContact CG-CG2 4.3Å; K174-V228 WeakPolarHBondContact CE-O 3.46Å; K174-V228 PolarHBondContact NZ-O 3.5Å; K174-T230 WeakPolarHBondContact CE-O 3.37Å; K174-T230 PolarHBondContact NZ-O 2.86Å; K174-A231 PolarHBondContact NZ-O 3.41Å; K174-P233 HydrophobicContact CB-CG 4.21Å; K174-P233 HydrophobicContact CD-CG 4.3Å; K174-P233 HydrophobicContact CG-CG 4.17Å
175	D	88.3	Confident	89.8	Confident	28 Å²	28	31.9 Å²	31.9	15%	0.15	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4	179.3	64.4	13	0	0	0	114.3	W173 L177 K198 N204	W173-D175 VanDerWaalsContact C-N 3.3Å; W173-D175 PolarHBondContact O-N 3.48Å; D175-L177 PolarHBondContact O-N 3.16Å; D175-L177 VanDerWaalsContact O-N 3.11Å; D175-L177 PolarHBondContact OD1-N 3.15Å; D175-K198 HydrophobicContact CB-CG 4.16Å; D175-K198 WeakPolarHBondContact OD2-CE 3.3Å; D175-N204 WeakPolarHBondContact O-CB 3.44Å; D175-N204 PolarHBondContact O-ND2 3.18Å
176	G	87.9	Confident	89.6	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	73.9	-12.2	179.1	0	0	0	0	0	115.9	W173 K174 G178 F179 C180 L205	W173-G176 PolarHBondContact O-N 2.89Å; K174-G176 VanDerWaalsContact C-N 3.3Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 2.88Å; G176-F179 PolarHBondContact O-N 3.09Å; G176-C180 PolarHBondContact O-N 3.07Å; G176-L205 VanDerWaalsContact CA-CD2 3.49Å
177	L	91	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-33.5	-177.7	-67.7	173.8	0	0	0	111.7	N163 V164 D175 F179 C180 A181 L196 K198	N163-L177 HydrophobicContact CB-CD1 4.41Å; V164-L177 HydrophobicContact CG2-CB 3.63Å; D175-L177 PolarHBondContact O-N 3.16Å; D175-L177 VanDerWaalsContact O-N 3.11Å; D175-L177 PolarHBondContact OD1-N 3.15Å; L177-F179 PolarHBondContact O-N 3.3Å; L177-C180 PolarHBondContact O-N 3.29Å; L177-A181 VanDerWaalsContact O-CB 3.31Å; L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.68Å; L177-L196 HydrophobicContact CD2-CB 3.76Å; L177-L196 HydrophobicContact CD2-CD1 4.46Å; L177-K198 HydrophobicContact CD1-CB 3.97Å; L177-K198 HydrophobicContact CD1-CG 4.22Å
178	G	90.8	Very high	89.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-44.6	175.7	0	0	0	0	0	113.9	G176 L182	G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 2.88Å; G178-L182 PolarHBondContact O-N 3.31Å
179	F	92.9	Very high	89.1	Confident	1 Å²	1	36 Å²	36	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-44.4	177.4	-69.7	-69.5	0	0	0	111.7	W173 G176 L177 A181 L182 I183 L205 A208 F209 L222 I238 Y241 V242 F245	W173-F179 HydrophobicContact CB-CE2 3.93Å; W173-F179 HydrophobicContact CB-CZ 4.34Å; W173-F179 HydrophobicContact CD2-CE2 4.39Å; W173-F179 HydrophobicContact CD2-CZ 4.25Å; W173-F179 AromaticContact CE3-CD1 3.75Å; W173-F179 HydrophobicContact CE3-CD1 3.75Å; W173-F179 AromaticContact CE3-CD2 3.83Å; W173-F179 HydrophobicContact CE3-CD2 3.83Å; W173-F179 AromaticContact CE3-CE1 3.7Å; W173-F179 HydrophobicContact CE3-CE1 3.7Å; W173-F179 AromaticContact CE3-CE2 3.79Å; W173-F179 HydrophobicContact CE3-CE2 3.79Å; W173-F179 AromaticContact CE3-CG 3.82Å; W173-F179 HydrophobicContact CE3-CG 3.82Å; W173-F179 AromaticContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CE3-CZ 3.72Å; W173-F179 HydrophobicContact CG-CE2 4.49Å; W173-F179 AromaticContact CZ3-CD1 3.76Å; W173-F179 HydrophobicContact CZ3-CD1 3.76Å; W173-F179 AromaticContact CZ3-CE1 3.95Å; W173-F179 HydrophobicContact CZ3-CE1 3.95Å; W173-F179 HydrophobicContact CZ3-CG 4.08Å; W173-F179 HydrophobicContact CZ3-CZ 4.43Å; G176-F179 PolarHBondContact O-N 3.09Å; L177-F179 PolarHBondContact O-N 3.3Å; F179-A181 VanDerWaalsContact C-N 3.32Å; F179-A181 PolarHBondContact O-N 3.12Å; F179-L182 PolarHBondContact O-N 3Å; F179-I183 WeakPolarHBondContact O-CG1 3.3Å; F179-I183 PolarHBondContact O-N 2.89Å; F179-L205 HydrophobicContact CD2-CD2 3.76Å; F179-L205 HydrophobicContact CE2-CD2 3.96Å; F179-A208 HydrophobicContact CB-CB 3.58Å; F179-F209 HydrophobicContact CD1-CE1 4.5Å; F179-F209 AromaticContact CD2-CE1 3.93Å; F179-F209 HydrophobicContact CD2-CE1 3.93Å; F179-F209 HydrophobicContact CD2-CZ 4.42Å; F179-F209 HydrophobicContact CE2-CE1 4.04Å; F179-F209 HydrophobicContact CE2-CZ 4.24Å; F179-F209 HydrophobicContact CG-CE1 4.17Å; F179-F209 HydrophobicContact CZ-CE1 4.38Å; F179-L222 HydrophobicContact CZ-CD1 3.97Å; F179-I238 HydrophobicContact CZ-CG2 4.23Å; F179-Y241 HydrophobicContact CD1-CD1 4.23Å; F179-Y241 HydrophobicContact CD1-CE1 4.38Å; F179-Y241 AromaticContact CE1-CD1 3.61Å; F179-Y241 HydrophobicContact CE1-CD1 3.61Å; F179-Y241 HydrophobicContact CE1-CE1 4.19Å; F179-Y241 HydrophobicContact CZ-CD1 4.05Å; F179-V242 HydrophobicContact CD1-CG2 4.42Å; F179-V242 HydrophobicContact CE1-CG2 3.57Å; F179-V242 HydrophobicContact CZ-CG2 4.22Å; F179-F245 HydrophobicContact CD1-CE2 4.26Å
180	C	90.7	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-40.9	177.3	-67.6	0	0	0	0	112.1	G176 L177 I183 H184 I191 Y193 L196 N204	G176-C180 PolarHBondContact O-N 3.07Å; L177-C180 PolarHBondContact O-N 3.29Å; C180-I183 PolarHBondContact O-N 2.75Å; C180-H184 WeakPolarHBondContact O-CB 3.43Å; C180-H184 PolarHBondContact O-N 3.5Å; C180-I191 HydrophobicContact CB-CD1 4.17Å; C180-I191 HydrophobicContact CB-CG2 4.33Å; C180-Y193 HydrophobicContact CB-CD2 4.08Å; C180-Y193 HydrophobicContact CB-CE2 3.91Å; C180-L196 HydrophobicContact CB-CD1 3.43Å; C180-L196 VanDerWaalsContact CB-CD1 3.43Å; C180-L196 VanDerWaalsContact SG-CD1 3.53Å; C180-N204 PolarHBondContact SG-O 3.18Å; C180-N204 VanDerWaalsContact SG-O 3.36Å
181	A	90.7	Very high	89.1	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-39.2	-179.6	0	0	0	0	0	112.2	T158 Y161 V164 L177 F179 R185 Y193	T158-A181 HydrophobicContact CG2-CB 3.88Å; Y161-A181 HydrophobicContact CD1-CB 4.13Å; Y161-A181 HydrophobicContact CD2-CB 3.81Å; Y161-A181 HydrophobicContact CE1-CB 4.33Å; Y161-A181 HydrophobicContact CE2-CB 4.01Å; Y161-A181 HydrophobicContact CG-CB 3.85Å; Y161-A181 PolarHBondContact OH-O 3.41Å; V164-A181 HydrophobicContact CG2-CB 4.11Å; L177-A181 VanDerWaalsContact O-CB 3.31Å; L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.68Å; F179-A181 VanDerWaalsContact C-N 3.32Å; F179-A181 PolarHBondContact O-N 3.12Å; A181-R185 VanDerWaalsContact O-CB 3.3Å; A181-R185 WeakPolarHBondContact O-CB 3.28Å; A181-R185 PolarHBondContact O-N 2.95Å; A181-Y193 HydrophobicContact CB-CE2 3.76Å
182	L	90.3	Very high	89.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-44.5	175.7	-85.4	-174.7	0	0	0	112.4	W153 K157 T158 W173 G178 F179 H186 V242	W153-L182 HydrophobicContact CE3-CD2 4.41Å; W153-L182 HydrophobicContact CH2-CD1 4.37Å; W153-L182 HydrophobicContact CH2-CD2 4.01Å; W153-L182 HydrophobicContact CZ3-CD1 3.9Å; W153-L182 HydrophobicContact CZ3-CD2 3.86Å; K157-L182 HydrophobicContact CB-CD2 3.72Å; T158-L182 HydrophobicContact CG2-CD2 3.85Å; T158-L182 HydrophobicContact CG2-CG 3.89Å; W173-L182 HydrophobicContact CH2-CD1 3.52Å; W173-L182 HydrophobicContact CH2-CG 4.3Å; W173-L182 HydrophobicContact CZ3-CD1 3.86Å; G178-L182 PolarHBondContact O-N 3.31Å; F179-L182 PolarHBondContact O-N 3Å; L182-H186 PolarHBondContact O-ND1 3.2Å; L182-V242 HydrophobicContact CD1-CG1 4.31Å
183	I	90.1	Very high	89	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-53	177.4	-64.3	167	0	0	0	109.4	F179 C180 R185 H186 R187 L190 I191 A208 V211 A212 L216 F245	F179-I183 WeakPolarHBondContact O-CG1 3.3Å; F179-I183 PolarHBondContact O-N 2.89Å; C180-I183 PolarHBondContact O-N 2.75Å; I183-R185 PolarHBondContact O-N 3.35Å; I183-H186 PolarHBondContact O-N 3.48Å; I183-H186 VanDerWaalsContact O-N 3.14Å; I183-R187 CarbonylContact O-C 3.53Å; I183-R187 WeakPolarHBondContact O-CA 3.39Å; I183-R187 PolarHBondContact O-N 3.29Å; I183-L190 HydrophobicContact CG2-CB 4.22Å; I183-L190 HydrophobicContact CG2-CD1 4.45Å; I183-I191 HydrophobicContact CB-CD1 3.76Å; I183-I191 HydrophobicContact CD1-CD1 3.83Å; I183-I191 HydrophobicContact CG1-CD1 4.4Å; I183-I191 HydrophobicContact CG2-CD1 3.73Å; I183-I191 HydrophobicContact CG2-CG1 4.01Å; I183-A208 HydrophobicContact CD1-CB 4.17Å; I183-A208 WeakPolarHBondContact CD1-O 3.37Å; I183-V211 HydrophobicContact CD1-CG1 4.5Å; I183-V211 HydrophobicContact CG2-CG1 3.96Å; I183-A212 HydrophobicContact CD1-CB 4.42Å; I183-L216 HydrophobicContact CG1-CD1 4.17Å; I183-L216 HydrophobicContact CG2-CD1 4.29Å; I183-F245 HydrophobicContact CD1-CE1 3.63Å; I183-F245 HydrophobicContact CD1-CZ 4.08Å; I183-F245 HydrophobicContact CG1-CD1 4.06Å; I183-F245 HydrophobicContact CG1-CE1 3.51Å; I183-F245 HydrophobicContact CG1-CZ 4.36Å
184	H	91.8	Very high	88.6	Confident	50 Å²	50	40.6 Å²	40.6	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-30.6	-179.6	-176.7	-102.8	0	0	0	112.6	Y161 C180 H186 P188 I191 Y193	Y161-H184 AromaticContact CE1-ND1 3.47Å; Y161-H184 WeakPolarHBondContact CE1-ND1 3.32Å; Y161-H184 AromaticContact CZ-ND1 3.52Å; Y161-H184 PolarHBondContact OH-ND1 2.87Å; C180-H184 WeakPolarHBondContact O-CB 3.43Å; C180-H184 PolarHBondContact O-N 3.5Å; H184-H186 PolarHBondContact O-N 3.04Å; H184-P188 VanDerWaalsContact CD2-CA 3.48Å; H184-P188 WeakPolarHBondContact CD2-CA 3.26Å; H184-P188 PolarHBondContact CD2-O 3.1Å; H184-P188 VanDerWaalsContact CD2-O 3.28Å; H184-P188 WeakPolarHBondContact O-CA 3.23Å; H184-P188 WeakPolarHBondContact O-CD 3.44Å; H184-P188 VanDerWaalsContact O-CG 3.25Å; H184-P188 WeakPolarHBondContact O-CG 3.43Å; H184-P188 VanDerWaalsContact O-N 3.11Å; H184-I191 PolarHBondContact CD2-O 3.42Å; H184-Y193 HydrophobicContact CB-CD2 4.43Å
185	R	89.6	Confident	88.5	Confident	126 Å²	126	45.5 Å²	45.5	48%	0.475	23%	0.229	S	C	.	.	H	α-helix	trans	-66.2	-37.2	178.2	-175.4	65.7	-178.2	104.1	-7.8	113.2	K157 Y161 A181 I183	K157-R185 HydrophobicContact CB-CG 4.25Å; K157-R185 HydrophobicContact CD-CG 4.28Å; K157-R185 WeakPolarHBondContact O-CD 3.48Å; K157-R185 VanDerWaalsContact O-CG 3.25Å; K157-R185 WeakPolarHBondContact O-CG 3.17Å; Y161-R185 HydrophobicContact CE2-CB 4.19Å; Y161-R185 WeakPolarHBondContact OH-CA 3.39Å; Y161-R185 PolarHBondContact OH-N 2.71Å; Y161-R185 VanDerWaalsContact OH-N 3.11Å; A181-R185 VanDerWaalsContact O-CB 3.3Å; A181-R185 WeakPolarHBondContact O-CB 3.28Å; A181-R185 PolarHBondContact O-N 2.95Å; I183-R185 PolarHBondContact O-N 3.35Å
186	H	86.6	Confident	88.4	Confident	47 Å²	47	45.3 Å²	45.3	22%	0.218	23%	0.228	C	C	.	.	H	α-helix	trans	-95.1	-33.6	-177.1	-64.5	89.2	0	0	0	112	W153 K157 L182 I183 H184 F249	W153-H186 AromaticContact CZ2-CE1 3.47Å; W153-H186 VanDerWaalsContact CZ2-CE1 3.47Å; W153-H186 WeakPolarHBondContact CZ2-CE1 3.48Å; W153-H186 AromaticContact CZ2-NE2 3.74Å; K157-H186 WeakPolarHBondContact CD-NE2 3.38Å; K157-H186 WeakPolarHBondContact CE-NE2 2.76Å; L182-H186 PolarHBondContact O-ND1 3.2Å; I183-H186 PolarHBondContact O-N 3.48Å; I183-H186 VanDerWaalsContact O-N 3.14Å; H184-H186 PolarHBondContact O-N 3.04Å; H186-F249 HydrophobicContact CB-CD1 3.68Å; H186-F249 HydrophobicContact CB-CD2 4.08Å; H186-F249 HydrophobicContact CB-CE1 3.62Å; H186-F249 HydrophobicContact CB-CE2 4.01Å; H186-F249 HydrophobicContact CB-CG 3.93Å; H186-F249 HydrophobicContact CB-CZ 3.78Å; H186-F249 AromaticContact CD2-CG 3.84Å; H186-F249 AromaticContact CG-CD2 3.72Å; H186-F249 AromaticContact CG-CG 3.73Å; H186-F249 AromaticContact ND1-CD2 3.73Å; H186-F249 AromaticContact ND1-CE2 3.92Å
187	R	85.8	Confident	88.3	Confident	122 Å²	122	53.6 Å²	53.6	46%	0.46	26%	0.259	S	S	.	.			trans	-135.8	76.3	-179.7	-61.3	-59.2	-138.6	145.2	-6.2	109.9	I183 E189 L190 L216 F249	I183-R187 CarbonylContact O-C 3.53Å; I183-R187 WeakPolarHBondContact O-CA 3.39Å; I183-R187 PolarHBondContact O-N 3.29Å; R187-E189 WeakPolarHBondContact CA-OE2 3.46Å; R187-E189 VanDerWaalsContact CD-OE1 3.32Å; R187-E189 WeakPolarHBondContact CD-OE1 3.02Å; R187-E189 IonicContact CZ-OE1 3.14Å; R187-E189 IonicContact NE-OE1 3.4Å; R187-E189 IonicContact NH1-OE1 3.03Å; R187-E189 PolarHBondContact NH1-OE1 2.91Å; R187-E189 PolarHBondContact O-N 3.38Å; R187-E189 VanDerWaalsContact O-N 3.14Å; R187-L190 HydrophobicContact CB-CB 4.46Å; R187-L190 HydrophobicContact CB-CD1 3.59Å; R187-L190 HydrophobicContact CB-CG 3.88Å; R187-L190 HydrophobicContact CG-CD1 4.04Å; R187-L190 PolarHBondContact O-N 3.08Å; R187-L216 HydrophobicContact CG-CD2 4.21Å; R187-F249 HydrophobicContact CG-CE1 3.94Å
188	P	86.1	Confident	87.9	Confident	71 Å²	71	60.3 Å²	60.3	46%	0.461	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.4	-27.1	-178.1	-20.3	29.6	0	0	0	113.7	H184 L190	H184-P188 VanDerWaalsContact CD2-CA 3.48Å; H184-P188 WeakPolarHBondContact CD2-CA 3.26Å; H184-P188 PolarHBondContact CD2-O 3.1Å; H184-P188 VanDerWaalsContact CD2-O 3.28Å; H184-P188 WeakPolarHBondContact O-CA 3.23Å; H184-P188 WeakPolarHBondContact O-CD 3.44Å; H184-P188 VanDerWaalsContact O-CG 3.25Å; H184-P188 WeakPolarHBondContact O-CG 3.43Å; H184-P188 VanDerWaalsContact O-N 3.11Å; P188-L190 PolarHBondContact O-N 3.29Å
189	E	85.1	Confident	87.7	Confident	117 Å²	117	66.4 Å²	66.4	55%	0.547	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.1	-178	71.9	-80.7	-164.9	0	0	114.4	R187	R187-E189 WeakPolarHBondContact CA-OE2 3.46Å; R187-E189 VanDerWaalsContact CD-OE1 3.32Å; R187-E189 WeakPolarHBondContact CD-OE1 3.02Å; R187-E189 IonicContact CZ-OE1 3.14Å; R187-E189 IonicContact NE-OE1 3.4Å; R187-E189 IonicContact NH1-OE1 3.03Å; R187-E189 PolarHBondContact NH1-OE1 2.91Å; R187-E189 PolarHBondContact O-N 3.38Å; R187-E189 VanDerWaalsContact O-N 3.14Å
190	L	87.3	Confident	87.5	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.194	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-92.7	-20.7	-169.9	-63.8	-178.4	0	0	0	114.5	I183 R187 P188 V211 Y215 L216	I183-L190 HydrophobicContact CG2-CB 4.22Å; I183-L190 HydrophobicContact CG2-CD1 4.45Å; R187-L190 HydrophobicContact CB-CB 4.46Å; R187-L190 HydrophobicContact CB-CD1 3.59Å; R187-L190 HydrophobicContact CB-CG 3.88Å; R187-L190 HydrophobicContact CG-CD1 4.04Å; R187-L190 PolarHBondContact O-N 3.08Å; P188-L190 PolarHBondContact O-N 3.29Å; L190-V211 HydrophobicContact CB-CG1 3.7Å; L190-V211 HydrophobicContact CD1-CG1 4.25Å; L190-Y215 HydrophobicContact CD2-CD1 4.14Å; L190-Y215 HydrophobicContact CD2-CD2 4.06Å; L190-Y215 HydrophobicContact CD2-CG 3.76Å; L190-L216 HydrophobicContact CD1-CD2 3.84Å; L190-L216 HydrophobicContact CD1-CG 4.27Å
191	I	88.8	Confident	87.3	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.046	35%	0.348	C	S	.	.			trans	-136.6	125.1	-177.8	-64.6	-173.7	0	0	0	109.9	C180 I183 H184 Y193 L196 V211	C180-I191 HydrophobicContact CB-CD1 4.17Å; C180-I191 HydrophobicContact CB-CG2 4.33Å; I183-I191 HydrophobicContact CB-CD1 3.76Å; I183-I191 HydrophobicContact CD1-CD1 3.83Å; I183-I191 HydrophobicContact CG1-CD1 4.4Å; I183-I191 HydrophobicContact CG2-CD1 3.73Å; I183-I191 HydrophobicContact CG2-CG1 4.01Å; H184-I191 PolarHBondContact CD2-O 3.42Å; I191-Y193 PolarHBondContact O-N 3.49Å; I191-Y193 VanDerWaalsContact O-N 3.12Å; I191-L196 HydrophobicContact CG2-CD1 3.91Å; I191-V211 HydrophobicContact CD1-CB 4.41Å; I191-V211 HydrophobicContact CD1-CG1 4.28Å; I191-V211 HydrophobicContact CG1-CB 4.31Å; I191-V211 HydrophobicContact CG1-CG1 3.99Å; I191-V211 HydrophobicContact CG1-CG2 4.09Å
192	D	87.4	Confident	87.3	Confident	89 Å²	89	74.3 Å²	74.3	48%	0.476	37%	0.365	S	S	.	.			trans	-81.2	89.3	168.9	-175	-6.3	0	0	0	110.1	G194 K195	D192-G194 PolarHBondContact O-N 3.39Å; D192-G194 PolarHBondContact OD1-N 3.32Å; D192-K195 HydrophobicContact CB-CD 4.38Å; D192-K195 PolarHBondContact O-N 3.42Å; D192-K195 VanDerWaalsContact OD2-CD 3.29Å; D192-K195 WeakPolarHBondContact OD2-CD 3.43Å; D192-K195 WeakPolarHBondContact OD2-CE 3.31Å; D192-K195 IonicContact OD2-NZ 2.71Å; D192-K195 PolarHBondContact OD2-NZ 2.9Å
193	Y	88.3	Confident	87.2	Confident	25 Å²	25	77.5 Å²	77.5	10%	0.098	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.6	-23.1	-172.2	-162.2	-91.7	0	0	0	113.4	Y161 N163 V164 C180 A181 H184 I191 K195 L196	Y161-Y193 AromaticContact CD1-CD1 3.85Å; Y161-Y193 HydrophobicContact CD1-CD1 3.85Å; Y161-Y193 HydrophobicContact CD1-CD2 4.33Å; Y161-Y193 AromaticContact CD1-CE1 3.51Å; Y161-Y193 HydrophobicContact CD1-CE1 3.51Å; Y161-Y193 HydrophobicContact CD1-CE2 4.05Å; Y161-Y193 HydrophobicContact CD1-CG 4.25Å; Y161-Y193 AromaticContact CD1-CZ 3.61Å; Y161-Y193 HydrophobicContact CE1-CD1 4.07Å; Y161-Y193 HydrophobicContact CE1-CD2 4.13Å; Y161-Y193 HydrophobicContact CE1-CE1 4.15Å; Y161-Y193 HydrophobicContact CE1-CE2 4.22Å; Y161-Y193 HydrophobicContact CE1-CG 4.05Å; Y161-Y193 HydrophobicContact CG-CE1 4.46Å; N163-Y193 PolarHBondContact ND2-OH 3.16Å; N163-Y193 WeakPolarHBondContact OD1-CE1 3.3Å; N163-Y193 PolarHBondContact OD1-OH 3.08Å; V164-Y193 WeakPolarHBondContact CG2-OH 3.41Å; C180-Y193 HydrophobicContact CB-CD2 4.08Å; C180-Y193 HydrophobicContact CB-CE2 3.91Å; A181-Y193 HydrophobicContact CB-CE2 3.76Å; H184-Y193 HydrophobicContact CB-CD2 4.43Å; I191-Y193 PolarHBondContact O-N 3.49Å; I191-Y193 VanDerWaalsContact O-N 3.12Å; Y193-K195 VanDerWaalsContact C-N 3.29Å; Y193-K195 PolarHBondContact O-N 3.24Å; Y193-L196 HydrophobicContact CD2-CD1 3.85Å; Y193-L196 HydrophobicContact CE2-CD1 4.2Å; Y193-L196 HydrophobicContact CG-CD1 4.39Å; Y193-L196 PolarHBondContact O-N 2.95Å
194	G	83.1	Confident	87.2	Confident	73 Å²	73	77.7 Å²	77.7	75%	0.753	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-70.9	-20.5	-178.8	0	0	0	0	0	114.5	D192	D192-G194 PolarHBondContact O-N 3.39Å; D192-G194 PolarHBondContact OD1-N 3.32Å
195	K	85.8	Confident	87.2	Confident	160 Å²	160	75.3 Å²	75.3	70%	0.696	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-85.1	-14.1	178.5	-71.5	178	178.3	136.9	0	113.6	D192 Y193	D192-K195 HydrophobicContact CB-CD 4.38Å; D192-K195 PolarHBondContact O-N 3.42Å; D192-K195 VanDerWaalsContact OD2-CD 3.29Å; D192-K195 WeakPolarHBondContact OD2-CD 3.43Å; D192-K195 WeakPolarHBondContact OD2-CE 3.31Å; D192-K195 IonicContact OD2-NZ 2.71Å; D192-K195 PolarHBondContact OD2-NZ 2.9Å; Y193-K195 VanDerWaalsContact C-N 3.29Å; Y193-K195 PolarHBondContact O-N 3.24Å
196	L	87.5	Confident	87.3	Confident	23 Å²	23	72.4 Å²	72.4	12%	0.12	37%	0.368	C	S	.	.			trans	-80.9	138	-176	-56.6	175.1	0	0	0	110.8	L177 C180 I191 Y193 N204	L177-L196 HydrophobicContact CD2-CB 3.76Å; L177-L196 HydrophobicContact CD2-CD1 4.46Å; C180-L196 HydrophobicContact CB-CD1 3.43Å; C180-L196 VanDerWaalsContact CB-CD1 3.43Å; C180-L196 VanDerWaalsContact SG-CD1 3.53Å; I191-L196 HydrophobicContact CG2-CD1 3.91Å; Y193-L196 HydrophobicContact CD2-CD1 3.85Å; Y193-L196 HydrophobicContact CE2-CD1 4.2Å; Y193-L196 HydrophobicContact CG-CD1 4.39Å; Y193-L196 PolarHBondContact O-N 2.95Å; L196-N204 WeakPolarHBondContact CD2-OD1 3.23Å
197	R	84	Confident	87.4	Confident	174 Å²	174	72.3 Å²	72.3	66%	0.657	37%	0.371	S	S	*	.			trans	-130.5	146.5	179.7	-53.1	-175.3	173	-174.4	-0.8	111.6	D199 D200 N204	R197-D199 VanDerWaalsContact C-N 3.28Å; R197-D199 WeakPolarHBondContact CB-OD1 3.3Å; R197-D199 PolarHBondContact O-N 3.38Å; R197-D200 PolarHBondContact O-N 3.24Å; R197-N204 PolarHBondContact O-ND2 3.35Å
198	K	84.3	Confident	87.7	Confident	142 Å²	142	66.5 Å²	66.5	62%	0.617	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.7	-174.1	-170.2	173	-178.5	173.2	0	113.5	D175 L177 D200	D175-K198 HydrophobicContact CB-CG 4.16Å; D175-K198 WeakPolarHBondContact OD2-CE 3.3Å; L177-K198 HydrophobicContact CD1-CB 3.97Å; L177-K198 HydrophobicContact CD1-CG 4.22Å; K198-D200 VanDerWaalsContact C-N 3.28Å
199	D	85.6	Confident	88	Confident	128 Å²	128	63.2 Å²	63.2	68%	0.684	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.4	178.3	55	-39.5	0	0	0	113.8	R197 P201	R197-D199 VanDerWaalsContact C-N 3.28Å; R197-D199 WeakPolarHBondContact CB-OD1 3.3Å; R197-D199 PolarHBondContact O-N 3.38Å; D199-P201 VanDerWaalsContact O-CD 3.26Å; D199-P201 WeakPolarHBondContact O-CD 3.42Å
200	D	88.9	Confident	88.2	Confident	69 Å²	69	61.5 Å²	61.5	37%	0.369	32%	0.322	S	S	.	.			trans	-119.2	69.3	176.2	-170.7	7.4	0	0	0	112.4	R197 K198 L202 T203 N204	R197-D200 PolarHBondContact O-N 3.24Å; K198-D200 VanDerWaalsContact C-N 3.28Å; D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.02Å; D200-T203 PolarHBondContact OD1-N 3.38Å; D200-T203 PolarHBondContact OD1-OG1 3.31Å; D200-T203 VanDerWaalsContact OD1-OG1 3.1Å; D200-T203 WeakPolarHBondContact OD2-CB 3.48Å; D200-T203 PolarHBondContact OD2-OG1 3.14Å; D200-N204 PolarHBondContact O-N 3.41Å; D200-N204 PolarHBondContact O-ND2 2.82Å
201	P	87.1	Confident	88.3	Confident	32 Å²	32	60.4 Å²	60.4	21%	0.208	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-29.8	-175.5	29.1	-37.3	0	0	0	112.9	D199 N204 L205 V228	D199-P201 VanDerWaalsContact O-CD 3.26Å; D199-P201 WeakPolarHBondContact O-CD 3.42Å; P201-N204 PolarHBondContact O-N 3.5Å; P201-L205 WeakPolarHBondContact O-CB 3.09Å; P201-L205 WeakPolarHBondContact O-CD1 3.47Å; P201-L205 VanDerWaalsContact O-CG 3.28Å; P201-L205 WeakPolarHBondContact O-CG 3.49Å; P201-L205 PolarHBondContact O-N 3.48Å; P201-V228 HydrophobicContact CB-CG2 3.93Å; P201-V228 HydrophobicContact CG-CG1 4.14Å; P201-V228 HydrophobicContact CG-CG2 3.96Å
202	L	89	Confident	88.4	Confident	65 Å²	65	60 Å²	60	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-67.8	-45.4	-177	-166.8	73.3	0	0	0	111	D200 N206 A224 E225 V228	D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.02Å; L202-N206 WeakPolarHBondContact O-CB 3.38Å; L202-N206 PolarHBondContact O-N 2.97Å; L202-N206 VanDerWaalsContact O-N 3.13Å; L202-N206 PolarHBondContact O-ND2 3.49Å; L202-A224 HydrophobicContact CD1-CB 3.83Å; L202-E225 HydrophobicContact CD1-CB 4.5Å; L202-E225 HydrophobicContact CD1-CG 3.91Å; L202-V228 HydrophobicContact CD1-CG2 4.35Å
203	T	89.4	Confident	88.4	Confident	69 Å²	69	59.9 Å²	59.9	42%	0.423	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-40.4	176.7	-55.7	0	0	0	0	111.7	D200 L205 N206 T207	D200-T203 PolarHBondContact OD1-N 3.38Å; D200-T203 PolarHBondContact OD1-OG1 3.31Å; D200-T203 VanDerWaalsContact OD1-OG1 3.1Å; D200-T203 WeakPolarHBondContact OD2-CB 3.48Å; D200-T203 PolarHBondContact OD2-OG1 3.14Å; T203-L205 PolarHBondContact O-N 3.27Å; T203-N206 PolarHBondContact O-N 2.93Å; T203-T207 WeakPolarHBondContact O-CB 3.37Å; T203-T207 PolarHBondContact O-N 3.39Å; T203-T207 PolarHBondContact O-OG1 2.92Å
204	N	90.6	Very high	88.4	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-47.1	178.5	-64.8	-20.9	0	0	0	112	D175 C180 L196 R197 D200 P201 T207 A208	D175-N204 WeakPolarHBondContact O-CB 3.44Å; D175-N204 PolarHBondContact O-ND2 3.18Å; C180-N204 PolarHBondContact SG-O 3.18Å; C180-N204 VanDerWaalsContact SG-O 3.36Å; L196-N204 WeakPolarHBondContact CD2-OD1 3.23Å; R197-N204 PolarHBondContact O-ND2 3.35Å; D200-N204 PolarHBondContact O-N 3.41Å; D200-N204 PolarHBondContact O-ND2 2.82Å; P201-N204 PolarHBondContact O-N 3.5Å; N204-T207 PolarHBondContact O-N 2.91Å; N204-A208 PolarHBondContact O-N 3.44Å
205	L	90.9	Very high	88.6	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-49.5	179.4	-73.8	165.8	0	0	0	111.4	G176 F179 P201 T203 T207 A208 F209 A224 I227 V228	G176-L205 VanDerWaalsContact CA-CD2 3.49Å; F179-L205 HydrophobicContact CD2-CD2 3.76Å; F179-L205 HydrophobicContact CE2-CD2 3.96Å; P201-L205 WeakPolarHBondContact O-CB 3.09Å; P201-L205 WeakPolarHBondContact O-CD1 3.47Å; P201-L205 VanDerWaalsContact O-CG 3.28Å; P201-L205 WeakPolarHBondContact O-CG 3.49Å; P201-L205 PolarHBondContact O-N 3.48Å; T203-L205 PolarHBondContact O-N 3.27Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.34Å; L205-A208 PolarHBondContact O-N 3.45Å; L205-F209 HydrophobicContact CB-CE2 4.07Å; L205-F209 HydrophobicContact CB-CZ 4.22Å; L205-F209 HydrophobicContact CD2-CE1 4.25Å; L205-F209 HydrophobicContact CD2-CE2 4.34Å; L205-F209 HydrophobicContact CD2-CZ 3.7Å; L205-F209 WeakPolarHBondContact O-CB 3.49Å; L205-F209 WeakPolarHBondContact O-CD1 3.47Å; L205-F209 WeakPolarHBondContact O-CD2 3.48Å; L205-F209 WeakPolarHBondContact O-CG 3.47Å; L205-F209 PolarHBondContact O-N 3.29Å; L205-A224 HydrophobicContact CB-CB 3.64Å; L205-A224 HydrophobicContact CD1-CB 4.31Å; L205-I227 HydrophobicContact CD1-CB 3.96Å; L205-I227 HydrophobicContact CD1-CD1 4.44Å; L205-I227 HydrophobicContact CD1-CG2 3.72Å; L205-I227 HydrophobicContact CD2-CD1 4.17Å; L205-V228 HydrophobicContact CD1-CG2 3.83Å
206	N	91.4	Very high	88.5	Confident	66 Å²	66	62.8 Å²	62.8	35%	0.353	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-41.3	178	-76.9	-43	0	0	0	111.9	L202 T203 A208 F209 D210 A224	L202-N206 WeakPolarHBondContact O-CB 3.38Å; L202-N206 PolarHBondContact O-N 2.97Å; L202-N206 VanDerWaalsContact O-N 3.13Å; L202-N206 PolarHBondContact O-ND2 3.49Å; T203-N206 PolarHBondContact O-N 2.93Å; N206-A208 PolarHBondContact O-N 3.43Å; N206-F209 PolarHBondContact O-N 2.85Å; N206-D210 WeakPolarHBondContact O-CB 3.43Å; N206-D210 VanDerWaalsContact O-CG 3.27Å; N206-D210 PolarHBondContact O-N 3.48Å; N206-A224 VanDerWaalsContact OD1-CB 3.3Å; N206-A224 WeakPolarHBondContact OD1-CB 3.38Å
207	T	89.9	Confident	88.3	Confident	45 Å²	45	66.6 Å²	66.6	28%	0.276	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-46.9	176.8	-56	0	0	0	0	111.5	T203 N204 L205 F209 V211	T203-T207 WeakPolarHBondContact O-CB 3.37Å; T203-T207 PolarHBondContact O-N 3.39Å; T203-T207 PolarHBondContact O-OG1 2.92Å; N204-T207 PolarHBondContact O-N 2.91Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.34Å; T207-F209 VanDerWaalsContact C-N 3.32Å; T207-F209 PolarHBondContact O-N 2.92Å; T207-V211 WeakPolarHBondContact O-CB 3.32Å; T207-V211 VanDerWaalsContact O-CG2 3.24Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.15Å
208	A	90.5	Very high	88.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-41.3	177.7	0	0	0	0	0	112	F179 I183 N204 L205 N206 A212	F179-A208 HydrophobicContact CB-CB 3.58Å; I183-A208 HydrophobicContact CD1-CB 4.17Å; I183-A208 WeakPolarHBondContact CD1-O 3.37Å; N204-A208 PolarHBondContact O-N 3.44Å; L205-A208 PolarHBondContact O-N 3.45Å; N206-A208 PolarHBondContact O-N 3.43Å; A208-A212 VanDerWaalsContact O-CB 3.24Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 2.74Å
209	F	92.9	Very high	88.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-40.7	-177.2	-59.6	-12.2	0	0	0	111.9	F179 L205 N206 T207 A212 E213 K220 L222 A224 I227 Y241	F179-F209 HydrophobicContact CD1-CE1 4.5Å; F179-F209 AromaticContact CD2-CE1 3.93Å; F179-F209 HydrophobicContact CD2-CE1 3.93Å; F179-F209 HydrophobicContact CD2-CZ 4.42Å; F179-F209 HydrophobicContact CE2-CE1 4.04Å; F179-F209 HydrophobicContact CE2-CZ 4.24Å; F179-F209 HydrophobicContact CG-CE1 4.17Å; F179-F209 HydrophobicContact CZ-CE1 4.38Å; L205-F209 HydrophobicContact CB-CE2 4.07Å; L205-F209 HydrophobicContact CB-CZ 4.22Å; L205-F209 HydrophobicContact CD2-CE1 4.25Å; L205-F209 HydrophobicContact CD2-CE2 4.34Å; L205-F209 HydrophobicContact CD2-CZ 3.7Å; L205-F209 WeakPolarHBondContact O-CB 3.49Å; L205-F209 WeakPolarHBondContact O-CD1 3.47Å; L205-F209 WeakPolarHBondContact O-CD2 3.48Å; L205-F209 WeakPolarHBondContact O-CG 3.47Å; L205-F209 PolarHBondContact O-N 3.29Å; N206-F209 PolarHBondContact O-N 2.85Å; T207-F209 VanDerWaalsContact C-N 3.32Å; T207-F209 PolarHBondContact O-N 2.92Å; F209-A212 PolarHBondContact O-N 3.24Å; F209-E213 PolarHBondContact O-N 3.4Å; F209-E213 VanDerWaalsContact O-N 3.09Å; F209-K220 HydrophobicContact CB-CD 4.4Å; F209-K220 HydrophobicContact CB-CG 4.12Å; F209-L222 VanDerWaalsContact CD2-O 3.23Å; F209-L222 WeakPolarHBondContact CD2-O 3.25Å; F209-L222 HydrophobicContact CE1-CB 4.49Å; F209-L222 HydrophobicContact CE2-CB 3.74Å; F209-L222 VanDerWaalsContact CE2-O 3.25Å; F209-L222 WeakPolarHBondContact CE2-O 3.03Å; F209-L222 HydrophobicContact CZ-CB 3.69Å; F209-L222 HydrophobicContact CZ-CD1 4.17Å; F209-A224 HydrophobicContact CE2-CB 4.48Å; F209-I227 HydrophobicContact CE2-CD1 4.18Å; F209-I227 HydrophobicContact CZ-CD1 3.84Å; F209-Y241 HydrophobicContact CD1-CD1 4.43Å; F209-Y241 AromaticContact CD1-CE1 3.39Å; F209-Y241 HydrophobicContact CD1-CE1 3.39Å; F209-Y241 AromaticContact CD1-CZ 3.88Å; F209-Y241 HydrophobicContact CE1-CD1 4.01Å; F209-Y241 AromaticContact CE1-CE1 3.37Å; F209-Y241 HydrophobicContact CE1-CE1 3.37Å; F209-Y241 HydrophobicContact CG-CE1 4.37Å; F209-Y241 HydrophobicContact CZ-CE1 4.33Å
210	D	89.8	Confident	88.6	Confident	80 Å²	80	50.9 Å²	50.9	43%	0.428	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-44.7	173.9	-76.4	-32.5	0	0	0	112.1	N206 E213 K214 K220	N206-D210 WeakPolarHBondContact O-CB 3.43Å; N206-D210 VanDerWaalsContact O-CG 3.27Å; N206-D210 PolarHBondContact O-N 3.48Å; D210-E213 PolarHBondContact O-N 2.92Å; D210-K214 WeakPolarHBondContact O-CB 3.36Å; D210-K214 PolarHBondContact O-N 3.23Å; D210-K220 WeakPolarHBondContact OD1-CE 3.42Å; D210-K220 IonicContact OD1-NZ 2.61Å; D210-K220 PolarHBondContact OD1-NZ 3.17Å
211	V	90	Very high	88.6	Confident	15 Å²	15	47.8 Å²	47.8	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-40.9	179.6	168.3	0	0	0	0	111.2	I183 L190 I191 T207 Y215	I183-V211 HydrophobicContact CD1-CG1 4.5Å; I183-V211 HydrophobicContact CG2-CG1 3.96Å; L190-V211 HydrophobicContact CB-CG1 3.7Å; L190-V211 HydrophobicContact CD1-CG1 4.25Å; I191-V211 HydrophobicContact CD1-CB 4.41Å; I191-V211 HydrophobicContact CD1-CG1 4.28Å; I191-V211 HydrophobicContact CG1-CB 4.31Å; I191-V211 HydrophobicContact CG1-CG1 3.99Å; I191-V211 HydrophobicContact CG1-CG2 4.09Å; T207-V211 WeakPolarHBondContact O-CB 3.32Å; T207-V211 VanDerWaalsContact O-CG2 3.24Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.15Å; V211-Y215 HydrophobicContact CG1-CD2 4.17Å; V211-Y215 PolarHBondContact O-N 2.92Å
212	A	89.5	Confident	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-43.4	177.6	0	0	0	0	0	112.2	I183 A208 F209 L216 D217 I218 F245	I183-A212 HydrophobicContact CD1-CB 4.42Å; A208-A212 VanDerWaalsContact O-CB 3.24Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 2.74Å; F209-A212 PolarHBondContact O-N 3.24Å; A212-L216 CarbonylContact O-C 3.58Å; A212-L216 WeakPolarHBondContact O-CA 3.41Å; A212-L216 WeakPolarHBondContact O-CB 3.28Å; A212-L216 PolarHBondContact O-N 2.78Å; A212-L216 VanDerWaalsContact O-N 3.09Å; A212-D217 PolarHBondContact O-N 2.66Å; A212-I218 CarbonylContact C-O 3.51Å; A212-I218 VanDerWaalsContact C-O 3.3Å; A212-I218 HydrophobicContact CB-CB 4.17Å; A212-I218 PolarHBondContact O-N 3.07Å; A212-F245 HydrophobicContact CB-CE1 3.65Å; A212-F245 HydrophobicContact CB-CZ 3.46Å; A212-F245 VanDerWaalsContact CB-CZ 3.46Å
213	E	88.3	Confident	88.4	Confident	87 Å²	87	47 Å²	47	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-47.4	178.8	-177.4	171	-125.3	0	0	112.1	F209 D210 I218 K220	F209-E213 PolarHBondContact O-N 3.4Å; F209-E213 VanDerWaalsContact O-N 3.09Å; D210-E213 PolarHBondContact O-N 2.92Å; E213-I218 WeakPolarHBondContact CA-O 3.29Å; E213-I218 PolarHBondContact N-O 3.26Å; E213-I218 VanDerWaalsContact N-O 3.14Å; E213-K220 HydrophobicContact CB-CG 4.11Å; E213-K220 WeakPolarHBondContact OE2-CD 3.33Å; E213-K220 WeakPolarHBondContact OE2-CE 3.4Å; E213-K220 IonicContact OE2-NZ 2.73Å; E213-K220 PolarHBondContact OE2-NZ 3.44Å
214	K	87.7	Confident	88.3	Confident	159 Å²	159	43.9 Å²	43.9	69%	0.691	22%	0.215	S	C	*	.	H	α-helix	trans	-74.7	-35.9	-172.8	-171	173.5	-179.7	-177.8	0	113.8	D210	D210-K214 WeakPolarHBondContact O-CB 3.36Å; D210-K214 PolarHBondContact O-N 3.23Å
215	Y	86.9	Confident	88	Confident	131 Å²	131	50.8 Å²	50.8	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-117.9	-20.1	-169.3	-60	-72.3	0	0	0	114.6	L190 V211	L190-Y215 HydrophobicContact CD2-CD1 4.14Å; L190-Y215 HydrophobicContact CD2-CD2 4.06Å; L190-Y215 HydrophobicContact CD2-CG 3.76Å; V211-Y215 HydrophobicContact CG1-CD2 4.17Å; V211-Y215 PolarHBondContact O-N 2.92Å
216	L	83.8	Confident	87.7	Confident	29 Å²	29	52.4 Å²	52.4	15%	0.152	26%	0.256	C	S	.	.	H	α-helix	trans	-110.9	-1.9	-179.8	-53.9	177.1	0	0	0	112.7	I183 R187 L190 A212 I218 F245 F249	I183-L216 HydrophobicContact CG1-CD1 4.17Å; I183-L216 HydrophobicContact CG2-CD1 4.29Å; R187-L216 HydrophobicContact CG-CD2 4.21Å; L190-L216 HydrophobicContact CD1-CD2 3.84Å; L190-L216 HydrophobicContact CD1-CG 4.27Å; A212-L216 CarbonylContact O-C 3.58Å; A212-L216 WeakPolarHBondContact O-CA 3.41Å; A212-L216 WeakPolarHBondContact O-CB 3.28Å; A212-L216 PolarHBondContact O-N 2.78Å; A212-L216 VanDerWaalsContact O-N 3.09Å; L216-I218 HydrophobicContact CB-CD1 3.96Å; L216-I218 HydrophobicContact CB-CG1 4.05Å; L216-I218 HydrophobicContact CD1-CD1 4.36Å; L216-I218 PolarHBondContact O-N 3.47Å; L216-F245 HydrophobicContact CD1-CD1 4.23Å; L216-F245 HydrophobicContact CD1-CE1 4.03Å; L216-F249 HydrophobicContact CD1-CE1 4.31Å; L216-F249 HydrophobicContact CD1-CZ 3.66Å; L216-F249 HydrophobicContact CD2-CE1 4.01Å; L216-F249 HydrophobicContact CD2-CZ 4.2Å
217	D	84.6	Confident	87.3	Confident	102 Å²	102	49.3 Å²	49.3	55%	0.545	24%	0.239	S	C	.	.			trans	53.2	33	-174.2	-171.4	33.4	0	0	0	113	R46 A212	R46-D217 IonicContact CZ-OD1 3.24Å; R46-D217 IonicContact CZ-OD2 2.79Å; R46-D217 IonicContact NH1-OD1 3.09Å; R46-D217 PolarHBondContact NH1-OD1 3.38Å; R46-D217 PolarHBondContact NH2-O 3.09Å; R46-D217 IonicContact NH2-OD1 2.6Å; R46-D217 PolarHBondContact NH2-OD1 3.26Å; R46-D217 IonicContact NH2-OD2 3.63Å; R46-D217 PolarHBondContact NH2-OD2 2.88Å; A212-D217 PolarHBondContact O-N 2.66Å
218	I	86.8	Confident	87.1	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.041	24%	0.24	C	C	.	.			trans	-101.1	110.6	173.8	-59.8	171.8	0	0	0	107.5	A212 E213 L216 Y241 F245 A248	A212-I218 CarbonylContact C-O 3.51Å; A212-I218 VanDerWaalsContact C-O 3.3Å; A212-I218 HydrophobicContact CB-CB 4.17Å; A212-I218 PolarHBondContact O-N 3.07Å; E213-I218 WeakPolarHBondContact CA-O 3.29Å; E213-I218 PolarHBondContact N-O 3.26Å; E213-I218 VanDerWaalsContact N-O 3.14Å; L216-I218 HydrophobicContact CB-CD1 3.96Å; L216-I218 HydrophobicContact CB-CG1 4.05Å; L216-I218 HydrophobicContact CD1-CD1 4.36Å; L216-I218 PolarHBondContact O-N 3.47Å; I218-Y241 HydrophobicContact CG2-CD2 4.43Å; I218-Y241 HydrophobicContact CG2-CE2 3.77Å; I218-F245 HydrophobicContact CD1-CB 4.38Å; I218-F245 HydrophobicContact CD1-CD1 3.54Å; I218-F245 HydrophobicContact CD1-CD2 4.39Å; I218-F245 HydrophobicContact CD1-CE1 3.82Å; I218-F245 HydrophobicContact CD1-CG 3.86Å; I218-F245 HydrophobicContact CD1-CZ 4.37Å; I218-A248 HydrophobicContact CD1-CB 3.87Å; I218-A248 HydrophobicContact CG1-CB 4.33Å
219	P	84.9	Confident	86.6	Confident	26 Å²	26	52.8 Å²	52.8	17%	0.169	27%	0.274	C	S	.	.			trans	-70	153	-173	28	-33	0	0	0	111.7	S43 M221 Y241	S43-P219 VanDerWaalsContact CB-CG 3.41Å; P219-M221 HydrophobicContact CG-CE 3.72Å; P219-M221 WeakPolarHBondContact O-CG 3.45Å; P219-M221 PolarHBondContact O-N 2.81Å; P219-Y241 VanDerWaalsContact O-CE2 3.26Å; P219-Y241 WeakPolarHBondContact O-CE2 3.32Å
220	K	88.3	Confident	86	Confident	80 Å²	80	54.2 Å²	54.2	35%	0.348	28%	0.283	S	S	.	.			trans	-67.3	102.6	177.6	-62.6	-178.1	176.7	131.9	0	111	F209 D210 E213	F209-K220 HydrophobicContact CB-CD 4.4Å; F209-K220 HydrophobicContact CB-CG 4.12Å; D210-K220 WeakPolarHBondContact OD1-CE 3.42Å; D210-K220 IonicContact OD1-NZ 2.61Å; D210-K220 PolarHBondContact OD1-NZ 3.17Å; E213-K220 HydrophobicContact CB-CG 4.11Å; E213-K220 WeakPolarHBondContact OE2-CD 3.33Å; E213-K220 WeakPolarHBondContact OE2-CE 3.4Å; E213-K220 IonicContact OE2-NZ 2.73Å; E213-K220 PolarHBondContact OE2-NZ 3.44Å
221	M	87.4	Confident	85.5	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.025	30%	0.298	C	S	.	.			trans	-95.9	-15.2	178.1	-52.4	-178.3	-168.8	0	0	112.8	T36 A39 W40 P219 T240 Y241	T36-M221 WeakPolarHBondContact CA-O 3.47Å; T36-M221 HydrophobicContact CG2-CB 3.72Å; T36-M221 PolarHBondContact OG1-O 3.06Å; A39-M221 HydrophobicContact CB-CB 3.92Å; A39-M221 HydrophobicContact CB-CG 3.82Å; W40-M221 HydrophobicContact CB-CE 4.32Å; W40-M221 HydrophobicContact CB-SD 3.75Å; W40-M221 HydrophobicContact CG-SD 4.28Å; P219-M221 HydrophobicContact CG-CE 3.72Å; P219-M221 WeakPolarHBondContact O-CG 3.45Å; P219-M221 PolarHBondContact O-N 2.81Å; M221-T240 HydrophobicContact SD-CG2 4.35Å; M221-Y241 HydrophobicContact CB-CD2 3.68Å; M221-Y241 HydrophobicContact CB-CE2 4.18Å; M221-Y241 HydrophobicContact CB-CG 4.46Å; M221-Y241 HydrophobicContact CG-CD2 3.77Å; M221-Y241 HydrophobicContact CG-CE2 4.12Å; M221-Y241 HydrophobicContact SD-CD2 3.97Å
222	L	87.8	Confident	85.1	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	32%	0.321	C	S	.	.	S	Bend	trans	-121.3	139.6	-176.6	-65.2	174.1	0	0	0	110.4	T36 F179 F209 I227 A237 I238 Y241	T36-L222 HydrophobicContact CG2-CD2 3.92Å; T36-L222 HydrophobicContact CG2-CG 4.49Å; T36-L222 WeakPolarHBondContact OG1-CD2 3.33Å; F179-L222 HydrophobicContact CZ-CD1 3.97Å; F209-L222 VanDerWaalsContact CD2-O 3.23Å; F209-L222 WeakPolarHBondContact CD2-O 3.25Å; F209-L222 HydrophobicContact CE1-CB 4.49Å; F209-L222 HydrophobicContact CE2-CB 3.74Å; F209-L222 VanDerWaalsContact CE2-O 3.25Å; F209-L222 WeakPolarHBondContact CE2-O 3.03Å; F209-L222 HydrophobicContact CZ-CB 3.69Å; F209-L222 HydrophobicContact CZ-CD1 4.17Å; L222-I227 HydrophobicContact CB-CD1 3.88Å; L222-I227 HydrophobicContact CD1-CD1 3.99Å; L222-I227 HydrophobicContact CG-CD1 4.37Å; L222-A237 HydrophobicContact CD2-CB 3.86Å; L222-I238 HydrophobicContact CD1-CG1 4.27Å; L222-Y241 HydrophobicContact CD1-CD1 3.55Å; L222-Y241 HydrophobicContact CD1-CE1 4.44Å; L222-Y241 HydrophobicContact CD1-CG 3.82Å; L222-Y241 HydrophobicContact CG-CD1 4.17Å; L222-Y241 HydrophobicContact CG-CG 4.13Å
223	D	85.9	Confident	85	Confident	78 Å²	78	61.4 Å²	61.4	42%	0.417	32%	0.322	S	S	.	.			trans	-94.7	128.4	171.8	-76.2	-36.5	0	0	0	110.3	K35 E225 D226 I227	K35-D223 VanDerWaalsContact CD-OD2 3.23Å; K35-D223 WeakPolarHBondContact CD-OD2 3.47Å; K35-D223 WeakPolarHBondContact CE-OD2 3.25Å; K35-D223 IonicContact NZ-OD2 3.63Å; K35-D223 PolarHBondContact NZ-OD2 3.2Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.46Å; D223-D226 HydrophobicContact CB-CB 4.18Å; D223-D226 PolarHBondContact O-N 2.72Å; D223-I227 PolarHBondContact O-N 3.09Å
224	A	85.8	Confident	84.9	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-37.5	-178.3	0	0	0	0	0	112.3	L202 L205 N206 F209 I227 V228	L202-A224 HydrophobicContact CD1-CB 3.83Å; L205-A224 HydrophobicContact CB-CB 3.64Å; L205-A224 HydrophobicContact CD1-CB 4.31Å; N206-A224 VanDerWaalsContact OD1-CB 3.3Å; N206-A224 WeakPolarHBondContact OD1-CB 3.38Å; F209-A224 HydrophobicContact CE2-CB 4.48Å; A224-I227 PolarHBondContact O-N 3.35Å; A224-V228 WeakPolarHBondContact O-CG2 3.4Å; A224-V228 PolarHBondContact O-N 2.97Å; A224-V228 VanDerWaalsContact O-N 3.09Å
225	E	84.8	Confident	84.9	Confident	149 Å²	149	53.4 Å²	53.4	70%	0.696	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-41.2	177.8	-65.6	-177.5	178.3	0	0	112.1	L202 D223 V228 G229	L202-E225 HydrophobicContact CD1-CB 4.5Å; L202-E225 HydrophobicContact CD1-CG 3.91Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.46Å; E225-V228 PolarHBondContact O-N 3.05Å; E225-G229 PolarHBondContact O-N 2.92Å
226	D	84.1	Confident	85	Confident	34 Å²	34	50.5 Å²	50.5	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-39	179.5	-72.4	-16.5	0	0	0	110.9	K35 D223 T230	K35-D226 WeakPolarHBondContact CD-OD2 2.98Å; K35-D226 WeakPolarHBondContact CE-OD2 3.46Å; K35-D226 IonicContact NZ-OD1 3.66Å; K35-D226 IonicContact NZ-OD2 3.2Å; K35-D226 PolarHBondContact NZ-OD2 3.25Å; D223-D226 HydrophobicContact CB-CB 4.18Å; D223-D226 PolarHBondContact O-N 2.72Å; D226-T230 WeakPolarHBondContact O-CB 3.47Å; D226-T230 PolarHBondContact O-N 3.45Å; D226-T230 PolarHBondContact O-OG1 3.24Å
227	I	84.4	Confident	85.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-42.6	177.6	-67.8	172.3	0	0	0	111.8	K174 L205 F209 L222 D223 A224 P233	K174-I227 WeakPolarHBondContact CE-O 3.47Å; K174-I227 HydrophobicContact CG-CG2 4.3Å; L205-I227 HydrophobicContact CD1-CB 3.96Å; L205-I227 HydrophobicContact CD1-CD1 4.44Å; L205-I227 HydrophobicContact CD1-CG2 3.72Å; L205-I227 HydrophobicContact CD2-CD1 4.17Å; F209-I227 HydrophobicContact CE2-CD1 4.18Å; F209-I227 HydrophobicContact CZ-CD1 3.84Å; L222-I227 HydrophobicContact CB-CD1 3.88Å; L222-I227 HydrophobicContact CD1-CD1 3.99Å; L222-I227 HydrophobicContact CG-CD1 4.37Å; D223-I227 PolarHBondContact O-N 3.09Å; A224-I227 PolarHBondContact O-N 3.35Å; I227-P233 HydrophobicContact CG2-CB 4.38Å; I227-P233 HydrophobicContact CG2-CG 3.92Å
228	V	85.3	Confident	85.4	Confident	48 Å²	48	44.2 Å²	44.2	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-74.6	-42.2	-178.1	176.7	0	0	0	0	111	K174 P201 L202 L205 A224 E225 T230	K174-V228 WeakPolarHBondContact CE-O 3.46Å; K174-V228 PolarHBondContact NZ-O 3.5Å; P201-V228 HydrophobicContact CB-CG2 3.93Å; P201-V228 HydrophobicContact CG-CG1 4.14Å; P201-V228 HydrophobicContact CG-CG2 3.96Å; L202-V228 HydrophobicContact CD1-CG2 4.35Å; L205-V228 HydrophobicContact CD1-CG2 3.83Å; A224-V228 WeakPolarHBondContact O-CG2 3.4Å; A224-V228 PolarHBondContact O-N 2.97Å; A224-V228 VanDerWaalsContact O-N 3.09Å; E225-V228 PolarHBondContact O-N 3.05Å; V228-T230 PolarHBondContact O-N 3.36Å
229	G	79.1	Confident	85.5	Confident	69 Å²	69	44.1 Å²	44.1	71%	0.711	24%	0.244	S	C	*	.	H	α-helix	trans	-69	-27.5	-176.9	0	0	0	0	0	114.5	E225	E225-G229 PolarHBondContact O-N 2.92Å
230	T	80.4	Confident	85.7	Confident	32 Å²	32	42.9 Å²	42.9	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-87.9	136.9	178.5	-54.7	0	0	0	0	111.8	K174 D226 V228 R232	K174-T230 WeakPolarHBondContact CE-O 3.37Å; K174-T230 PolarHBondContact NZ-O 2.86Å; D226-T230 WeakPolarHBondContact O-CB 3.47Å; D226-T230 PolarHBondContact O-N 3.45Å; D226-T230 PolarHBondContact O-OG1 3.24Å; V228-T230 PolarHBondContact O-N 3.36Å; T230-R232 VanDerWaalsContact C-N 3.29Å; T230-R232 WeakPolarHBondContact CG2-O 3.35Å; T230-R232 PolarHBondContact O-N 3.3Å
231	A	79.1	Confident	85.8	Confident	90 Å²	90	39 Å²	39	74%	0.744	22%	0.219	S	C	*	.	S	Bend	trans	-57.7	-42	179.1	0	0	0	0	0	112.2	K174	K174-A231 PolarHBondContact NZ-O 3.41Å
232	R	83.1	Confident	85.9	Confident	154 Å²	154	38.8 Å²	38.8	58%	0.581	22%	0.218	S	C	*	.	S	Bend	trans	-130	109.6	176.5	-173.9	-179.9	-174.4	-176.6	1.3	109.9	H170 I171 T230	H170-R232 HydrophobicContact CB-CG 4.21Å; H170-R232 PolarHBondContact CD2-NH2 3.22Å; H170-R232 PolarHBondContact NE2-NH2 3.3Å; I171-R232 HydrophobicContact CD1-CG 4.47Å; I171-R232 HydrophobicContact CG1-CG 4.35Å; T230-R232 VanDerWaalsContact C-N 3.29Å; T230-R232 WeakPolarHBondContact CG2-O 3.35Å; T230-R232 PolarHBondContact O-N 3.3Å
233	P	86.1	Confident	85.9	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.013	22%	0.217	C	C	.	.			trans	-59.7	147.6	174.4	-25.5	35.8	0	0	0	112.1	H170 K174 I227 E235 I238	H170-P233 WeakPolarHBondContact CB-O 3.33Å; K174-P233 HydrophobicContact CB-CG 4.21Å; K174-P233 HydrophobicContact CD-CG 4.3Å; K174-P233 HydrophobicContact CG-CG 4.17Å; I227-P233 HydrophobicContact CG2-CB 4.38Å; I227-P233 HydrophobicContact CG2-CG 3.92Å; P233-E235 PolarHBondContact O-N 3.35Å; P233-I238 HydrophobicContact CB-CD1 3.56Å
234	D	87.2	Confident	86	Confident	21 Å²	21	36 Å²	36	11%	0.112	21%	0.205	C	C	.	.			trans	-67.7	129.4	-179.6	-179	75.8	0	0	0	112.7	Q32 Q33 K236 A237 I238	Q32-D234 HydrophobicContact CG-CB 4.43Å; Q33-D234 HydrophobicContact CG-CB 4.49Å; Q33-D234 WeakPolarHBondContact CG-OD2 3.45Å; Q33-D234 VanDerWaalsContact NE2-CG 3.28Å; Q33-D234 PolarHBondContact NE2-OD1 3.5Å; Q33-D234 PolarHBondContact NE2-OD2 3.1Å; D234-K236 WeakPolarHBondContact OD2-CB 3.48Å; D234-K236 PolarHBondContact OD2-N 2.99Å; D234-K236 VanDerWaalsContact OD2-N 3.11Å; D234-A237 HydrophobicContact CB-CB 4.01Å; D234-A237 WeakPolarHBondContact OD2-CB 2.89Å; D234-A237 PolarHBondContact OD2-N 2.96Å; D234-I238 PolarHBondContact O-N 3.14Å
235	E	87.7	Confident	86.1	Confident	58 Å²	58	36 Å²	36	27%	0.271	20%	0.204	S	C	.	.	H	α-helix	trans	-67.4	-40.3	-174.7	-166.5	-175.9	175.2	0	0	112.5	K147 F169 P233 I238 M239	K147-E235 WeakPolarHBondContact CE-OE1 3.37Å; K147-E235 IonicContact NZ-OE1 3.12Å; K147-E235 PolarHBondContact NZ-OE1 3Å; K147-E235 IonicContact NZ-OE2 3.33Å; F169-E235 HydrophobicContact CB-CG 3.7Å; F169-E235 WeakPolarHBondContact O-CA 3.32Å; P233-E235 PolarHBondContact O-N 3.35Å; E235-I238 PolarHBondContact O-N 3.44Å; E235-M239 HydrophobicContact CG-SD 4.28Å; E235-M239 WeakPolarHBondContact O-CB 3.49Å; E235-M239 VanDerWaalsContact O-CG 3.29Å; E235-M239 WeakPolarHBondContact O-CG 3.48Å; E235-M239 PolarHBondContact O-N 2.77Å
236	K	88.9	Confident	86.2	Confident	69 Å²	69	30.6 Å²	30.6	30%	0.3	18%	0.178	S	C	.	.	H	α-helix	trans	-69.6	-40.3	-177.4	-65.1	-178.1	174.3	-179.6	0	111	F37 W128 D234 M239 T240	F37-K236 HydrophobicContact CE1-CB 4.44Å; F37-K236 HydrophobicContact CZ-CB 4.02Å; W128-K236 HydrophobicContact CB-CD 4.37Å; W128-K236 HydrophobicContact CD2-CB 3.97Å; W128-K236 HydrophobicContact CD2-CD 3.54Å; W128-K236 HydrophobicContact CD2-CG 3.74Å; W128-K236 HydrophobicContact CE3-CB 3.57Å; W128-K236 HydrophobicContact CE3-CD 4.04Å; W128-K236 HydrophobicContact CE3-CG 3.88Å; W128-K236 HydrophobicContact CG-CD 3.66Å; W128-K236 HydrophobicContact CG-CG 4.4Å; W128-K236 HydrophobicContact CH2-CB 3.9Å; W128-K236 HydrophobicContact CH2-CG 3.86Å; W128-K236 HydrophobicContact CZ2-CB 4.29Å; W128-K236 HydrophobicContact CZ2-CD 4.3Å; W128-K236 HydrophobicContact CZ2-CG 3.75Å; W128-K236 HydrophobicContact CZ3-CB 3.53Å; W128-K236 HydrophobicContact CZ3-CG 3.94Å; W128-K236 WeakPolarHBondContact CZ3-O 3.47Å; D234-K236 WeakPolarHBondContact OD2-CB 3.48Å; D234-K236 PolarHBondContact OD2-N 2.99Å; D234-K236 VanDerWaalsContact OD2-N 3.11Å; K236-M239 PolarHBondContact O-N 2.99Å; K236-T240 WeakPolarHBondContact O-CB 3.49Å; K236-T240 PolarHBondContact O-N 3.42Å; K236-T240 PolarHBondContact O-OG1 3.41Å
237	A	87.5	Confident	86.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-49.5	175.7	0	0	0	0	0	111.6	Q32 T36 L222 D234 T240 Y241	Q32-A237 HydrophobicContact CG-CB 4.24Å; T36-A237 HydrophobicContact CG2-CB 4.13Å; T36-A237 WeakPolarHBondContact OG1-CB 2.9Å; L222-A237 HydrophobicContact CD2-CB 3.86Å; D234-A237 HydrophobicContact CB-CB 4.01Å; D234-A237 WeakPolarHBondContact OD2-CB 2.89Å; D234-A237 PolarHBondContact OD2-N 2.96Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-Y241 PolarHBondContact O-N 3.41Å
238	I	89.6	Confident	86.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-44	178.8	-70.3	165.6	0	0	0	111.4	F169 W173 F179 L222 P233 D234 E235 T240 Y241 V242	F169-I238 HydrophobicContact CB-CG2 4.17Å; F169-I238 HydrophobicContact CD1-CG2 4.21Å; F169-I238 WeakPolarHBondContact O-CB 3.5Å; F169-I238 WeakPolarHBondContact O-CD1 3.43Å; F169-I238 WeakPolarHBondContact O-CG2 3.37Å; W173-I238 HydrophobicContact CB-CD1 4.16Å; W173-I238 HydrophobicContact CB-CG2 4.23Å; W173-I238 HydrophobicContact CD2-CG2 4.14Å; W173-I238 HydrophobicContact CG-CG2 3.76Å; F179-I238 HydrophobicContact CZ-CG2 4.23Å; L222-I238 HydrophobicContact CD1-CG1 4.27Å; P233-I238 HydrophobicContact CB-CD1 3.56Å; D234-I238 PolarHBondContact O-N 3.14Å; E235-I238 PolarHBondContact O-N 3.44Å; I238-T240 VanDerWaalsContact C-N 3.3Å; I238-T240 PolarHBondContact O-N 3.03Å; I238-Y241 PolarHBondContact O-N 3.28Å; I238-Y241 VanDerWaalsContact O-N 3.16Å; I238-V242 HydrophobicContact CG2-CG2 4Å; I238-V242 WeakPolarHBondContact O-CB 3.45Å; I238-V242 VanDerWaalsContact O-CG2 3.29Å; I238-V242 WeakPolarHBondContact O-CG2 3.48Å; I238-V242 PolarHBondContact O-N 2.9Å
239	M	88.8	Confident	85.9	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-57.3	-42.8	177.1	-78.5	-179.3	64.6	0	0	112.6	W128 I136 K147 F169 E235 K236 Y241 V242 S243	W128-M239 HydrophobicContact CH2-CB 4.04Å; W128-M239 HydrophobicContact CH2-CE 4Å; W128-M239 HydrophobicContact CH2-SD 3.99Å; W128-M239 HydrophobicContact CZ2-CE 4.44Å; W128-M239 HydrophobicContact CZ2-SD 4.49Å; W128-M239 HydrophobicContact CZ3-CB 4.41Å; I136-M239 HydrophobicContact CD1-CB 4.12Å; I136-M239 HydrophobicContact CD1-CE 4Å; I136-M239 HydrophobicContact CG2-CE 4.34Å; K147-M239 HydrophobicContact CB-CE 4.1Å; K147-M239 HydrophobicContact CD-CE 4.11Å; K147-M239 HydrophobicContact CD-SD 4.26Å; K147-M239 HydrophobicContact CG-CE 3.7Å; K147-M239 HydrophobicContact CG-SD 4.25Å; F169-M239 HydrophobicContact CB-CG 3.55Å; F169-M239 HydrophobicContact CB-SD 4.42Å; F169-M239 HydrophobicContact CD1-CG 3.79Å; F169-M239 HydrophobicContact CD2-CG 3.41Å; F169-M239 VanDerWaalsContact CD2-CG 3.41Å; F169-M239 HydrophobicContact CD2-SD 3.82Å; F169-M239 HydrophobicContact CE1-CG 4.3Å; F169-M239 HydrophobicContact CE2-CG 3.96Å; F169-M239 HydrophobicContact CE2-SD 4.33Å; F169-M239 HydrophobicContact CG-CG 3.31Å; F169-M239 HydrophobicContact CG-SD 4.26Å; F169-M239 HydrophobicContact CZ-CG 4.37Å; E235-M239 HydrophobicContact CG-SD 4.28Å; E235-M239 WeakPolarHBondContact O-CB 3.49Å; E235-M239 VanDerWaalsContact O-CG 3.29Å; E235-M239 WeakPolarHBondContact O-CG 3.48Å; E235-M239 PolarHBondContact O-N 2.77Å; K236-M239 PolarHBondContact O-N 2.99Å; M239-Y241 VanDerWaalsContact C-N 3.29Å; M239-Y241 PolarHBondContact O-N 2.79Å; M239-V242 PolarHBondContact O-N 2.88Å; M239-S243 WeakPolarHBondContact O-CB 3.42Å; M239-S243 PolarHBondContact O-N 2.89Å; M239-S243 PolarHBondContact O-OG 3.18Å
240	T	88.5	Confident	85.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-41.2	178.1	-56.3	0	0	0	0	111.4	T36 W40 I131 M221 K236 A237 I238 S243 S244	T36-T240 HydrophobicContact CG2-CG2 4.43Å; W40-T240 HydrophobicContact CB-CG2 3.87Å; W40-T240 VanDerWaalsContact CD1-CG2 3.49Å; W40-T240 HydrophobicContact CG-CG2 3.68Å; I131-T240 HydrophobicContact CD1-CG2 3.86Å; I131-T240 HydrophobicContact CG1-CG2 4.41Å; I131-T240 HydrophobicContact CG2-CG2 3.87Å; M221-T240 HydrophobicContact SD-CG2 4.35Å; K236-T240 WeakPolarHBondContact O-CB 3.49Å; K236-T240 PolarHBondContact O-N 3.42Å; K236-T240 PolarHBondContact O-OG1 3.41Å; A237-T240 PolarHBondContact O-N 3.35Å; I238-T240 VanDerWaalsContact C-N 3.3Å; I238-T240 PolarHBondContact O-N 3.03Å; T240-S243 PolarHBondContact O-OG 3.27Å; T240-S244 PolarHBondContact O-OG 3.44Å
241	Y	90.8	Very high	84.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.4	-44.5	-179.4	-165.3	-126.1	0	0	0	111.8	F179 F209 I218 P219 M221 L222 A237 I238 M239 S243 S244 F245	F179-Y241 HydrophobicContact CD1-CD1 4.23Å; F179-Y241 HydrophobicContact CD1-CE1 4.38Å; F179-Y241 AromaticContact CE1-CD1 3.61Å; F179-Y241 HydrophobicContact CE1-CD1 3.61Å; F179-Y241 HydrophobicContact CE1-CE1 4.19Å; F179-Y241 HydrophobicContact CZ-CD1 4.05Å; F209-Y241 HydrophobicContact CD1-CD1 4.43Å; F209-Y241 AromaticContact CD1-CE1 3.39Å; F209-Y241 HydrophobicContact CD1-CE1 3.39Å; F209-Y241 AromaticContact CD1-CZ 3.88Å; F209-Y241 HydrophobicContact CE1-CD1 4.01Å; F209-Y241 AromaticContact CE1-CE1 3.37Å; F209-Y241 HydrophobicContact CE1-CE1 3.37Å; F209-Y241 HydrophobicContact CG-CE1 4.37Å; F209-Y241 HydrophobicContact CZ-CE1 4.33Å; I218-Y241 HydrophobicContact CG2-CD2 4.43Å; I218-Y241 HydrophobicContact CG2-CE2 3.77Å; P219-Y241 VanDerWaalsContact O-CE2 3.26Å; P219-Y241 WeakPolarHBondContact O-CE2 3.32Å; M221-Y241 HydrophobicContact CB-CD2 3.68Å; M221-Y241 HydrophobicContact CB-CE2 4.18Å; M221-Y241 HydrophobicContact CB-CG 4.46Å; M221-Y241 HydrophobicContact CG-CD2 3.77Å; M221-Y241 HydrophobicContact CG-CE2 4.12Å; M221-Y241 HydrophobicContact SD-CD2 3.97Å; L222-Y241 HydrophobicContact CD1-CD1 3.55Å; L222-Y241 HydrophobicContact CD1-CE1 4.44Å; L222-Y241 HydrophobicContact CD1-CG 3.82Å; L222-Y241 HydrophobicContact CG-CD1 4.17Å; L222-Y241 HydrophobicContact CG-CG 4.13Å; A237-Y241 PolarHBondContact O-N 3.41Å; I238-Y241 PolarHBondContact O-N 3.28Å; I238-Y241 VanDerWaalsContact O-N 3.16Å; M239-Y241 VanDerWaalsContact C-N 3.29Å; M239-Y241 PolarHBondContact O-N 2.79Å; Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 2.78Å; Y241-S244 WeakPolarHBondContact O-CB 3.49Å; Y241-S244 PolarHBondContact O-N 3Å; Y241-S244 VanDerWaalsContact O-N 3.16Å; Y241-F245 AromaticContact CD1-CE2 3.82Å; Y241-F245 HydrophobicContact CD1-CE2 3.82Å; Y241-F245 AromaticContact CE1-CE2 3.49Å; Y241-F245 HydrophobicContact CE1-CE2 3.49Å; Y241-F245 VanDerWaalsContact CE1-CE2 3.49Å; Y241-F245 AromaticContact CE1-CZ 4Å; Y241-F245 HydrophobicContact CE1-CZ 4Å; Y241-F245 HydrophobicContact CE2-CE2 4.29Å; Y241-F245 HydrophobicContact CG-CE2 4.36Å; Y241-F245 AromaticContact CZ-CE2 3.76Å; Y241-F245 WeakPolarHBondContact O-CD2 3.38Å
242	V	89.7	Confident	83.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-36.5	178.4	175.6	0	0	0	0	112.3	L150 C154 F169 W173 F179 L182 I238 M239 S244 F245 Y246	L150-V242 HydrophobicContact CD1-CG1 4.35Å; L150-V242 HydrophobicContact CG-CG1 4.48Å; C154-V242 WeakPolarHBondContact SG-CG1 3.28Å; F169-V242 HydrophobicContact CE1-CB 4.36Å; F169-V242 HydrophobicContact CE1-CG1 4.11Å; W173-V242 HydrophobicContact CD2-CG2 4.38Å; W173-V242 HydrophobicContact CE3-CG2 4.25Å; W173-V242 HydrophobicContact CH2-CG1 4.14Å; W173-V242 HydrophobicContact CH2-CG2 3.79Å; W173-V242 HydrophobicContact CZ2-CG1 4.31Å; W173-V242 HydrophobicContact CZ2-CG2 3.9Å; W173-V242 HydrophobicContact CZ3-CG2 3.96Å; F179-V242 HydrophobicContact CD1-CG2 4.42Å; F179-V242 HydrophobicContact CE1-CG2 3.57Å; F179-V242 HydrophobicContact CZ-CG2 4.22Å; L182-V242 HydrophobicContact CD1-CG1 4.31Å; I238-V242 HydrophobicContact CG2-CG2 4Å; I238-V242 WeakPolarHBondContact O-CB 3.45Å; I238-V242 VanDerWaalsContact O-CG2 3.29Å; I238-V242 WeakPolarHBondContact O-CG2 3.48Å; I238-V242 PolarHBondContact O-N 2.9Å; M239-V242 PolarHBondContact O-N 2.88Å; V242-S244 PolarHBondContact O-N 3.38Å; V242-F245 WeakPolarHBondContact O-CB 3.44Å; V242-F245 PolarHBondContact O-N 3.13Å; V242-F245 VanDerWaalsContact O-N 3.13Å; V242-Y246 PolarHBondContact O-N 3.36Å
243	S	87.9	Confident	82.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-30.6	176.2	70.3	0	0	0	0	112.6	M239 T240 Y241 F245 Y246 H247	M239-S243 WeakPolarHBondContact O-CB 3.42Å; M239-S243 PolarHBondContact O-N 2.89Å; M239-S243 PolarHBondContact O-OG 3.18Å; T240-S243 PolarHBondContact O-OG 3.27Å; Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 2.78Å; S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3.13Å; S243-Y246 WeakPolarHBondContact O-CB 3.1Å; S243-Y246 PolarHBondContact O-N 3.01Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-H247 PolarHBondContact O-CD2 3.27Å; S243-H247 PolarHBondContact O-N 3.42Å; S243-H247 VanDerWaalsContact O-N 3.1Å
244	S	87.6	Confident	81.1	Confident	22 Å²	22	41.6 Å²	41.6	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-37.2	174	-58.2	0	0	0	0	111.6	T240 Y241 V242 A248	T240-S244 PolarHBondContact O-OG 3.44Å; Y241-S244 WeakPolarHBondContact O-CB 3.49Å; Y241-S244 PolarHBondContact O-N 3Å; Y241-S244 VanDerWaalsContact O-N 3.16Å; V242-S244 PolarHBondContact O-N 3.38Å; S244-A248 PolarHBondContact O-N 3.46Å; S244-A248 VanDerWaalsContact O-N 3.16Å
245	F	87.8	Confident	79.4	Confident	1 Å²	1	44 Å²	44	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-38.8	171.4	-71.8	-86.3	0	0	0	112.4	W153 F179 I183 A212 L216 I218 Y241 V242 S243 A248 F249	W153-F245 HydrophobicContact CH2-CB 4.46Å; F179-F245 HydrophobicContact CD1-CE2 4.26Å; I183-F245 HydrophobicContact CD1-CE1 3.63Å; I183-F245 HydrophobicContact CD1-CZ 4.08Å; I183-F245 HydrophobicContact CG1-CD1 4.06Å; I183-F245 HydrophobicContact CG1-CE1 3.51Å; I183-F245 HydrophobicContact CG1-CZ 4.36Å; A212-F245 HydrophobicContact CB-CE1 3.65Å; A212-F245 HydrophobicContact CB-CZ 3.46Å; A212-F245 VanDerWaalsContact CB-CZ 3.46Å; L216-F245 HydrophobicContact CD1-CD1 4.23Å; L216-F245 HydrophobicContact CD1-CE1 4.03Å; I218-F245 HydrophobicContact CD1-CB 4.38Å; I218-F245 HydrophobicContact CD1-CD1 3.54Å; I218-F245 HydrophobicContact CD1-CD2 4.39Å; I218-F245 HydrophobicContact CD1-CE1 3.82Å; I218-F245 HydrophobicContact CD1-CG 3.86Å; I218-F245 HydrophobicContact CD1-CZ 4.37Å; Y241-F245 AromaticContact CD1-CE2 3.82Å; Y241-F245 HydrophobicContact CD1-CE2 3.82Å; Y241-F245 AromaticContact CE1-CE2 3.49Å; Y241-F245 HydrophobicContact CE1-CE2 3.49Å; Y241-F245 VanDerWaalsContact CE1-CE2 3.49Å; Y241-F245 AromaticContact CE1-CZ 4Å; Y241-F245 HydrophobicContact CE1-CZ 4Å; Y241-F245 HydrophobicContact CE2-CE2 4.29Å; Y241-F245 HydrophobicContact CG-CE2 4.36Å; Y241-F245 AromaticContact CZ-CE2 3.76Å; Y241-F245 WeakPolarHBondContact O-CD2 3.38Å; V242-F245 WeakPolarHBondContact O-CB 3.44Å; V242-F245 PolarHBondContact O-N 3.13Å; V242-F245 VanDerWaalsContact O-N 3.13Å; S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3.13Å; F245-A248 PolarHBondContact O-N 3.44Å; F245-F249 HydrophobicContact CB-CD2 4.48Å; F245-F249 HydrophobicContact CB-CE2 4.32Å; F245-F249 HydrophobicContact CD1-CE2 4.06Å; F245-F249 WeakPolarHBondContact O-CD2 3.39Å; F245-F249 PolarHBondContact O-N 3.32Å
246	Y	86.9	Confident	77.9	Confident	37 Å²	37	47.7 Å²	47.7	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-45.5	177.4	179.1	-89.5	0	0	0	112.3	I139 V141 L150 W153 V242 S243 F249 S250	I139-Y246 HydrophobicContact CB-CE1 4.16Å; I139-Y246 HydrophobicContact CD1-CD1 3.47Å; I139-Y246 VanDerWaalsContact CD1-CD1 3.47Å; I139-Y246 HydrophobicContact CD1-CE1 3.96Å; I139-Y246 HydrophobicContact CD1-CG 3.87Å; I139-Y246 HydrophobicContact CG1-CD1 3.68Å; I139-Y246 HydrophobicContact CG1-CE1 3.63Å; I139-Y246 HydrophobicContact CG1-CG 4.45Å; I139-Y246 HydrophobicContact CG2-CD1 4.18Å; I139-Y246 HydrophobicContact CG2-CD2 4.28Å; I139-Y246 HydrophobicContact CG2-CE1 3.73Å; I139-Y246 HydrophobicContact CG2-CE2 3.84Å; I139-Y246 HydrophobicContact CG2-CG 4.44Å; V141-Y246 HydrophobicContact CG2-CE2 4.48Å; L150-Y246 HydrophobicContact CD1-CD2 4.22Å; L150-Y246 HydrophobicContact CD1-CG 4.16Å; W153-Y246 HydrophobicContact CB-CD2 4.41Å; W153-Y246 HydrophobicContact CB-CE2 4.39Å; W153-Y246 AromaticContact CD1-CD2 3.85Å; W153-Y246 AromaticContact CD1-CE2 3.67Å; W153-Y246 AromaticContact CD2-CD2 3.55Å; W153-Y246 HydrophobicContact CD2-CD2 3.55Å; W153-Y246 HydrophobicContact CD2-CE2 4.17Å; W153-Y246 AromaticContact CE2-CD2 3.62Å; W153-Y246 AromaticContact CE3-CD2 3.99Å; W153-Y246 HydrophobicContact CE3-CD2 3.99Å; W153-Y246 AromaticContact CG-CD2 3.72Å; W153-Y246 HydrophobicContact CG-CD2 3.72Å; W153-Y246 AromaticContact CG-CE2 3.85Å; W153-Y246 HydrophobicContact CG-CE2 3.85Å; W153-Y246 HydrophobicContact CZ2-CD2 4.15Å; W153-Y246 HydrophobicContact CZ3-CD2 4.46Å; W153-Y246 AromaticContact NE1-CD2 3.77Å; W153-Y246 AromaticContact NE1-CE2 3.87Å; V242-Y246 PolarHBondContact O-N 3.36Å; S243-Y246 WeakPolarHBondContact O-CB 3.1Å; S243-Y246 PolarHBondContact O-N 3.01Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; Y246-F249 PolarHBondContact O-N 3.03Å; Y246-S250 WeakPolarHBondContact O-CB 3.46Å; Y246-S250 PolarHBondContact O-N 3.02Å; Y246-S250 PolarHBondContact O-OG 3.22Å
247	H	84	Confident	76.4	Confident	83 Å²	83	48.3 Å²	48.3	38%	0.384	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-39.1	179.2	-72.8	-55.7	0	0	0	112.8	A135 S243 F249 S250	A135-H247 PolarHBondContact O-NE2 3.05Å; S243-H247 PolarHBondContact O-CD2 3.27Å; S243-H247 PolarHBondContact O-N 3.42Å; S243-H247 VanDerWaalsContact O-N 3.1Å; H247-F249 PolarHBondContact O-N 3.49Å; H247-S250 PolarHBondContact O-N 2.99Å; H247-S250 PolarHBondContact O-OG 3.37Å
248	A	82	Confident	74.6	Confident	52 Å²	52	50.9 Å²	50.9	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-33.6	175.7	0	0	0	0	0	112.5	I218 S244 F245	I218-A248 HydrophobicContact CD1-CB 3.87Å; I218-A248 HydrophobicContact CG1-CB 4.33Å; S244-A248 PolarHBondContact O-N 3.46Å; S244-A248 VanDerWaalsContact O-N 3.16Å; F245-A248 PolarHBondContact O-N 3.44Å
249	F	81.8	Confident	73.1	Confident	42 Å²	42	53.3 Å²	53.3	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-96	-12.8	-177.1	-62.6	-48.5	0	0	0	115.5	W153 H186 R187 L216 F245 Y246 H247	W153-F249 HydrophobicContact CH2-CD2 4.31Å; W153-F249 HydrophobicContact CZ2-CD2 4.35Å; H186-F249 HydrophobicContact CB-CD1 3.68Å; H186-F249 HydrophobicContact CB-CD2 4.08Å; H186-F249 HydrophobicContact CB-CE1 3.62Å; H186-F249 HydrophobicContact CB-CE2 4.01Å; H186-F249 HydrophobicContact CB-CG 3.93Å; H186-F249 HydrophobicContact CB-CZ 3.78Å; H186-F249 AromaticContact CD2-CG 3.84Å; H186-F249 AromaticContact CG-CD2 3.72Å; H186-F249 AromaticContact CG-CG 3.73Å; H186-F249 AromaticContact ND1-CD2 3.73Å; H186-F249 AromaticContact ND1-CE2 3.92Å; R187-F249 HydrophobicContact CG-CE1 3.94Å; L216-F249 HydrophobicContact CD1-CE1 4.31Å; L216-F249 HydrophobicContact CD1-CZ 3.66Å; L216-F249 HydrophobicContact CD2-CE1 4.01Å; L216-F249 HydrophobicContact CD2-CZ 4.2Å; F245-F249 HydrophobicContact CB-CD2 4.48Å; F245-F249 HydrophobicContact CB-CE2 4.32Å; F245-F249 HydrophobicContact CD1-CE2 4.06Å; F245-F249 WeakPolarHBondContact O-CD2 3.39Å; F245-F249 PolarHBondContact O-N 3.32Å; Y246-F249 PolarHBondContact O-N 3.03Å; H247-F249 PolarHBondContact O-N 3.49Å
250	S	71.9	Confident	72	Confident	27 Å²	27	57.7 Å²	57.7	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-91.7	-8.3	-176.7	57.1	0	0	0	0	115.8	Y246 H247 A252	Y246-S250 WeakPolarHBondContact O-CB 3.46Å; Y246-S250 PolarHBondContact O-N 3.02Å; Y246-S250 PolarHBondContact O-OG 3.22Å; H247-S250 PolarHBondContact O-N 2.99Å; H247-S250 PolarHBondContact O-OG 3.37Å; S250-A252 VanDerWaalsContact C-N 3.31Å; S250-A252 PolarHBondContact O-N 2.81Å
251	G	61.6	Low	71	Confident	53 Å²	53	66.6 Å²	66.6	55%	0.546	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.3	-176.6	0	0	0	0	0	116.3
252	A	55.9	Low	69.9	Low	88 Å²	88	71.8 Å²	71.8	73%	0.727	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.1	-174.8	0	0	0	0	0	114.6	S250	S250-A252 VanDerWaalsContact C-N 3.31Å; S250-A252 PolarHBondContact O-N 2.81Å
253	Q	58.1	Low	68.9	Low	152 Å²	152	75.7 Å²	75.7	71%	0.71	43%	0.434	S	S	*	.	H	α-helix	trans	-83.3	-16	-171.4	-146.1	166.3	2.6	0	0	113.6	T257	Q253-T257 PolarHBondContact O-OG1 3.32Å
254	K	58.1	Low	68.2	Low	163 Å²	163	83.4 Å²	83.4	71%	0.709	47%	0.468	S	S	*	.	H	α-helix	trans	-79.9	-21	-178.8	-68.8	-179.6	178.2	176.5	0	113.9	T257	K254-T257 PolarHBondContact O-OG1 2.71Å
255	A	52.4	Low	67.6	Low	72 Å²	72	86.5 Å²	86.5	60%	0.595	49%	0.485	S	S	*	.	H	α-helix	trans	-75.1	-36.9	-178.6	0	0	0	0	0	112.9	T257 A258	A255-T257 PolarHBondContact O-N 3.46Å; A255-A258 PolarHBondContact O-N 3.12Å
256	E	55.2	Low	66.8	Low	136 Å²	136	91 Å²	91	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-68.2	-36.1	-177.8	-170.1	178.2	-179.7	0	0	112.8	A258 A259 N260	E256-A258 VanDerWaalsContact C-N 3.3Å; E256-A258 PolarHBondContact O-N 3.28Å; E256-A259 PolarHBondContact O-N 2.85Å; E256-N260 PolarHBondContact O-N 3.44Å
257	T	57.9	Low	66.3	Low	82 Å²	82	91.5 Å²	91.5	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-69.7	-26.5	179.1	11.6	0	0	0	0	113.1	Q253 K254 A255	Q253-T257 PolarHBondContact O-OG1 3.32Å; K254-T257 PolarHBondContact O-OG1 2.71Å; A255-T257 PolarHBondContact O-N 3.46Å
258	A	50.8	Low	66.1	Low	53 Å²	53	90.5 Å²	90.5	44%	0.438	52%	0.52	S	S	.	.	H	α-helix	trans	-73.6	-41.2	175.9	0	0	0	0	0	112	A255 E256 N260 R261 I262	A255-A258 PolarHBondContact O-N 3.12Å; E256-A258 VanDerWaalsContact C-N 3.3Å; E256-A258 PolarHBondContact O-N 3.28Å; A258-N260 PolarHBondContact O-N 2.83Å; A258-R261 PolarHBondContact O-N 2.85Å; A258-I262 PolarHBondContact O-N 3.32Å
259	A	57.9	Low	65.9	Low	52 Å²	52	90.3 Å²	90.3	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-44	178.6	0	0	0	0	0	112.3	E256 R261 I262 C263	E256-A259 PolarHBondContact O-N 2.85Å; A259-R261 PolarHBondContact O-N 3.01Å; A259-I262 PolarHBondContact O-N 3.24Å; A259-I262 VanDerWaalsContact O-N 3.14Å; A259-C263 PolarHBondContact O-N 3.08Å
260	N	64.9	Low	65.8	Low	96 Å²	96	94.8 Å²	94.8	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-27.5	178.6	-77.6	-29.7	0	0	0	113.8	E256 A258	E256-N260 PolarHBondContact O-N 3.44Å; A258-N260 PolarHBondContact O-N 2.83Å
261	R	67.1	Low	66.3	Low	188 Å²	188	98.7 Å²	98.7	71%	0.709	55%	0.549	S	S	*	.	H	α-helix	trans	-72.2	-38	175.2	-72.1	177.4	179	-178.4	-0.1	111.8	A258 A259 V265	A258-R261 PolarHBondContact O-N 2.85Å; A259-R261 PolarHBondContact O-N 3.01Å; R261-V265 WeakPolarHBondContact O-CG2 3.39Å; R261-V265 PolarHBondContact O-N 3.33Å
262	I	68.4	Low	67.4	Low	109 Å²	109	96.2 Å²	96.2	56%	0.559	52%	0.524	S	S	*	.	H	α-helix	trans	-67.1	-45.5	179.9	-64.4	171.8	0	0	0	111	A258 A259 K264 V265 L266	A258-I262 PolarHBondContact O-N 3.32Å; A259-I262 PolarHBondContact O-N 3.24Å; A259-I262 VanDerWaalsContact O-N 3.14Å; I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 PolarHBondContact O-N 2.92Å; I262-V265 PolarHBondContact O-N 3.43Å; I262-V265 VanDerWaalsContact O-N 3.16Å; I262-L266 HydrophobicContact CG2-CD1 3.95Å; I262-L266 PolarHBondContact O-N 3.35Å; I262-L266 VanDerWaalsContact O-N 3.08Å
263	C	69.7	Low	68.6	Low	82 Å²	82	96.8 Å²	96.8	55%	0.554	51%	0.511	S	S	*	.	H	α-helix	trans	-59.4	-39.5	179.7	-65.7	0	0	0	0	112.7	A259 V265 L266 A267	A259-C263 PolarHBondContact O-N 3.08Å; C263-V265 PolarHBondContact O-N 2.7Å; C263-L266 PolarHBondContact O-N 3.41Å; C263-A267 PolarHBondContact O-N 3.04Å; C263-A267 VanDerWaalsContact O-N 3.08Å
264	K	72.6	Confident	69.9	Low	161 Å²	161	94.1 Å²	94.1	70%	0.7	50%	0.499	S	S	*	.	H	α-helix	trans	-63.9	-39.7	176.9	-75.2	-176.4	178.2	-175.7	0	112.7	I262 V268	I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 PolarHBondContact O-N 2.92Å; K264-V268 WeakPolarHBondContact O-CG2 3.4Å; K264-V268 PolarHBondContact O-N 3.22Å
265	V	73.9	Confident	71.3	Confident	87 Å²	87	88 Å²	88	53%	0.527	47%	0.473	S	S	.	.	H	α-helix	trans	-70.4	-36.1	179.7	175.8	0	0	0	0	111.7	R261 I262 C263 N269	R261-V265 WeakPolarHBondContact O-CG2 3.39Å; R261-V265 PolarHBondContact O-N 3.33Å; I262-V265 PolarHBondContact O-N 3.43Å; I262-V265 VanDerWaalsContact O-N 3.16Å; C263-V265 PolarHBondContact O-N 2.7Å; V265-N269 PolarHBondContact O-N 3.24Å
266	L	72	Confident	72.9	Confident	95 Å²	95	87.1 Å²	87.1	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-42.9	176.8	-78.3	168.3	0	0	0	112.5	I262 C263 V268 N269 Q270	I262-L266 HydrophobicContact CG2-CD1 3.95Å; I262-L266 PolarHBondContact O-N 3.35Å; I262-L266 VanDerWaalsContact O-N 3.08Å; C263-L266 PolarHBondContact O-N 3.41Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.42Å; L266-N269 WeakPolarHBondContact O-CB 3.45Å; L266-N269 PolarHBondContact O-N 3.04Å; L266-Q270 PolarHBondContact O-N 3.02Å
267	A	75.1	Confident	74.5	Confident	48 Å²	48	86.6 Å²	86.6	40%	0.397	46%	0.455	S	S	.	.	H	α-helix	trans	-58.3	-44.6	177.7	0	0	0	0	0	112.2	C263 N269 Q270 E271	C263-A267 PolarHBondContact O-N 3.04Å; C263-A267 VanDerWaalsContact O-N 3.08Å; A267-N269 VanDerWaalsContact C-N 3.26Å; A267-N269 PolarHBondContact O-N 2.9Å; A267-Q270 PolarHBondContact O-N 3.36Å; A267-E271 PolarHBondContact O-N 3.37Å
268	V	79.8	Confident	75.9	Confident	62 Å²	62	85.5 Å²	85.5	38%	0.376	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-32.3	175.5	175.8	0	0	0	0	111.8	K264 L266 N272	K264-V268 WeakPolarHBondContact O-CG2 3.4Å; K264-V268 PolarHBondContact O-N 3.22Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.42Å; V268-N272 PolarHBondContact O-N 3.34Å; V268-N272 PolarHBondContact O-ND2 3.21Å; V268-N272 VanDerWaalsContact O-ND2 3.11Å
269	N	79.6	Confident	77.8	Confident	49 Å²	49	83 Å²	83	26%	0.262	43%	0.426	S	S	.	.	H	α-helix	trans	-71	-43.9	177.1	-164.3	44.7	0	0	0	112.4	V265 L266 A267 E271 N272 E273 R350	V265-N269 PolarHBondContact O-N 3.24Å; L266-N269 WeakPolarHBondContact O-CB 3.45Å; L266-N269 PolarHBondContact O-N 3.04Å; A267-N269 VanDerWaalsContact C-N 3.26Å; A267-N269 PolarHBondContact O-N 2.9Å; N269-E271 VanDerWaalsContact C-N 3.33Å; N269-E271 PolarHBondContact O-N 3.06Å; N269-N272 PolarHBondContact O-N 3.37Å; N269-N272 VanDerWaalsContact O-N 3.14Å; N269-E273 PolarHBondContact ND2-OE1 2.68Å; N269-E273 PolarHBondContact O-N 3.24Å; N269-R350 VanDerWaalsContact CG-NH1 3.33Å; N269-R350 PolarHBondContact OD1-NH1 2.77Å
270	Q	78.7	Confident	79.3	Confident	136 Å²	136	82 Å²	82	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-60.6	-41.9	178.2	-74.6	178.9	-17.1	0	0	111.9	L266 A267 N272 E273 Q274	L266-Q270 PolarHBondContact O-N 3.02Å; A267-Q270 PolarHBondContact O-N 3.36Å; Q270-N272 VanDerWaalsContact C-N 3.31Å; Q270-N272 PolarHBondContact O-N 3.48Å; Q270-E273 PolarHBondContact O-N 3.21Å; Q270-Q274 PolarHBondContact O-N 3.22Å
271	E	81.9	Confident	80.5	Confident	108 Å²	108	83.8 Å²	83.8	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-38.5	174.5	-76.2	-174.3	-166.7	0	0	112.9	A267 N269 L275 K344	A267-E271 PolarHBondContact O-N 3.37Å; N269-E271 VanDerWaalsContact C-N 3.33Å; N269-E271 PolarHBondContact O-N 3.06Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 3.48Å; E271-L275 VanDerWaalsContact O-N 3.08Å; E271-K344 IonicContact OE2-NZ 2.67Å; E271-K344 PolarHBondContact OE2-NZ 3.3Å
272	N	84.3	Confident	81.6	Confident	2 Å²	2	77 Å²	77	1%	0.011	39%	0.392	C	S	.	.	H	α-helix	trans	-70.1	-38.7	178.6	-68.1	-25	0	0	0	111.4	V268 N269 Q270 L275 M276 L341 L345	V268-N272 PolarHBondContact O-N 3.34Å; V268-N272 PolarHBondContact O-ND2 3.21Å; V268-N272 VanDerWaalsContact O-ND2 3.11Å; N269-N272 PolarHBondContact O-N 3.37Å; N269-N272 VanDerWaalsContact O-N 3.14Å; Q270-N272 VanDerWaalsContact C-N 3.31Å; Q270-N272 PolarHBondContact O-N 3.48Å; N272-L275 PolarHBondContact O-N 2.65Å; N272-M276 VanDerWaalsContact O-CG 3.32Å; N272-M276 WeakPolarHBondContact O-CG 3.47Å; N272-M276 PolarHBondContact O-N 3.45Å; N272-L341 HydrophobicContact CB-CD1 4.19Å; N272-L345 HydrophobicContact CB-CD2 4.45Å
273	E	82.8	Confident	82.7	Confident	99 Å²	99	71.8 Å²	71.8	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-43.1	173.7	-75.4	173.1	-162.9	0	0	112.1	N269 Q270 L275 M276 E277	N269-E273 PolarHBondContact ND2-OE1 2.68Å; N269-E273 PolarHBondContact O-N 3.24Å; Q270-E273 PolarHBondContact O-N 3.21Å; E273-L275 PolarHBondContact O-N 3.2Å; E273-M276 VanDerWaalsContact CA-CE 3.49Å; E273-M276 HydrophobicContact CB-CE 4.13Å; E273-M276 HydrophobicContact CG-CE 3.64Å; E273-M276 WeakPolarHBondContact O-CB 3.32Å; E273-M276 PolarHBondContact O-N 3.37Å; E273-E277 PolarHBondContact O-N 3.08Å
274	Q	85.1	Confident	83.8	Confident	97 Å²	97	69.1 Å²	69.1	45%	0.453	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-45.9	174.5	-170.8	62.3	50.3	0	0	112	Q270 M276 E277 D278	Q270-Q274 PolarHBondContact O-N 3.22Å; Q274-M276 VanDerWaalsContact C-N 3.28Å; Q274-M276 PolarHBondContact O-N 2.87Å; Q274-E277 PolarHBondContact O-N 3.31Å; Q274-D278 PolarHBondContact NE2-OD1 2.92Å; Q274-D278 WeakPolarHBondContact O-CB 3.42Å; Q274-D278 PolarHBondContact O-N 3Å
275	L	86.6	Confident	84.7	Confident	34 Å²	34	65.2 Å²	65.2	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-31.6	178.2	-75.2	170.3	0	0	0	113.1	E271 N272 E273 Y279 L341 K344	E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 3.48Å; E271-L275 VanDerWaalsContact O-N 3.08Å; N272-L275 PolarHBondContact O-N 2.65Å; E273-L275 PolarHBondContact O-N 3.2Å; L275-Y279 PolarHBondContact O-N 3.47Å; L275-Y279 VanDerWaalsContact O-N 3.16Å; L275-L341 HydrophobicContact CB-CD1 4.07Å; L275-K344 HydrophobicContact CD1-CD 4.09Å
276	M	86.5	Confident	85.6	Confident	53 Å²	53	61.1 Å²	61.1	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-46.4	173.4	-74.3	-175.8	-57.9	0	0	111.5	N272 E273 Q274 Y279 E280 L341 F353	N272-M276 VanDerWaalsContact O-CG 3.32Å; N272-M276 WeakPolarHBondContact O-CG 3.47Å; N272-M276 PolarHBondContact O-N 3.45Å; E273-M276 VanDerWaalsContact CA-CE 3.49Å; E273-M276 HydrophobicContact CB-CE 4.13Å; E273-M276 HydrophobicContact CG-CE 3.64Å; E273-M276 WeakPolarHBondContact O-CB 3.32Å; E273-M276 PolarHBondContact O-N 3.37Å; Q274-M276 VanDerWaalsContact C-N 3.28Å; Q274-M276 PolarHBondContact O-N 2.87Å; M276-Y279 PolarHBondContact O-N 3.22Å; M276-E280 PolarHBondContact O-N 3.25Å; M276-L341 HydrophobicContact CB-CD2 4.37Å; M276-L341 HydrophobicContact CG-CD1 4.29Å; M276-L341 HydrophobicContact CG-CD2 3.45Å; M276-L341 VanDerWaalsContact CG-CD2 3.45Å; M276-L341 HydrophobicContact CG-CG 4.45Å; M276-F353 HydrophobicContact CB-CD2 4.3Å; M276-F353 HydrophobicContact CB-CE2 3.89Å; M276-F353 HydrophobicContact CB-CZ 4.22Å; M276-F353 HydrophobicContact CG-CD2 3.5Å; M276-F353 VanDerWaalsContact CG-CD2 3.5Å; M276-F353 HydrophobicContact CG-CE2 3.62Å; M276-F353 HydrophobicContact CG-CG 3.99Å; M276-F353 HydrophobicContact CG-CZ 4.19Å; M276-F353 HydrophobicContact SD-CD2 3.42Å; M276-F353 WeakPolarHBondContact SD-CD2 3.47Å; M276-F353 HydrophobicContact SD-CE2 3.86Å; M276-F353 HydrophobicContact SD-CG 4.22Å
277	E	87.9	Confident	86.6	Confident	125 Å²	125	57.3 Å²	57.3	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-64.3	-42.6	178.1	-170.3	178.5	178.1	0	0	111.6	E273 Q274 Y279 E280 K281	E273-E277 PolarHBondContact O-N 3.08Å; Q274-E277 PolarHBondContact O-N 3.31Å; E277-Y279 VanDerWaalsContact C-N 3.33Å; E277-Y279 PolarHBondContact O-N 3.11Å; E277-E280 PolarHBondContact O-N 3.42Å; E277-K281 WeakPolarHBondContact O-CB 3.26Å; E277-K281 PolarHBondContact O-N 3.07Å
278	D	87.6	Confident	87.4	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-42.7	176.9	-69.8	-13.6	0	0	0	111.2	Q274 L282	Q274-D278 PolarHBondContact NE2-OD1 2.92Å; Q274-D278 WeakPolarHBondContact O-CB 3.42Å; Q274-D278 PolarHBondContact O-N 3Å; D278-L282 WeakPolarHBondContact O-CB 3.48Å; D278-L282 WeakPolarHBondContact O-CD1 3.45Å; D278-L282 WeakPolarHBondContact O-CG 3.49Å; D278-L282 PolarHBondContact O-N 3.37Å
279	Y	92.1	Very high	88.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-50	174	176.2	-81.9	0	0	0	111.5	L275 M276 E277 K281 L282 A283 L334 F338 F353 P355 R359 V361	L275-Y279 PolarHBondContact O-N 3.47Å; L275-Y279 VanDerWaalsContact O-N 3.16Å; M276-Y279 PolarHBondContact O-N 3.22Å; E277-Y279 VanDerWaalsContact C-N 3.33Å; E277-Y279 PolarHBondContact O-N 3.11Å; Y279-K281 VanDerWaalsContact C-N 3.33Å; Y279-K281 PolarHBondContact O-N 3.23Å; Y279-L282 PolarHBondContact O-N 2.64Å; Y279-A283 HydrophobicContact CE1-CB 4.22Å; Y279-A283 VanDerWaalsContact O-CB 3.26Å; Y279-A283 WeakPolarHBondContact O-CB 2.92Å; Y279-A283 PolarHBondContact O-N 2.92Å; Y279-L334 HydrophobicContact CD2-CD2 4.12Å; Y279-L334 HydrophobicContact CD2-CG 3.89Å; Y279-L334 HydrophobicContact CE2-CD1 4.45Å; Y279-L334 HydrophobicContact CE2-CD2 3.33Å; Y279-L334 HydrophobicContact CE2-CG 3.62Å; Y279-F338 HydrophobicContact CD2-CB 3.95Å; Y279-F338 HydrophobicContact CD2-CD2 4.36Å; Y279-F338 HydrophobicContact CE2-CB 3.7Å; Y279-F338 AromaticContact CE2-CD2 3.9Å; Y279-F338 HydrophobicContact CE2-CD2 3.9Å; Y279-F338 HydrophobicContact CE2-CG 4.14Å; Y279-F353 AromaticContact CD1-CE1 3.7Å; Y279-F353 HydrophobicContact CD1-CE1 3.7Å; Y279-F353 HydrophobicContact CD1-CZ 4.09Å; Y279-F353 HydrophobicContact CE1-CE1 4.25Å; Y279-F353 HydrophobicContact CG-CE1 4.02Å; Y279-P355 HydrophobicContact CD1-CB 4.37Å; Y279-P355 HydrophobicContact CD1-CG 4.21Å; Y279-P355 HydrophobicContact CE1-CB 3.62Å; Y279-P355 HydrophobicContact CE1-CG 3.44Å; Y279-P355 VanDerWaalsContact CE1-CG 3.44Å; Y279-R359 PolarHBondContact OH-O 2.94Å; Y279-V361 HydrophobicContact CE2-CG2 4.1Å; Y279-V361 WeakPolarHBondContact OH-CG2 3.39Å; Y279-V361 PolarHBondContact OH-N 3.31Å
280	E	88.4	Confident	88.9	Confident	31 Å²	31	57.4 Å²	57.4	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-39.6	-177	-84.2	-72.8	-177.8	0	0	112.7	M276 E277 S284 F353 S356 R359	M276-E280 PolarHBondContact O-N 3.25Å; E277-E280 PolarHBondContact O-N 3.42Å; E280-S284 WeakPolarHBondContact O-CB 3.49Å; E280-S284 PolarHBondContact O-N 3.41Å; E280-S284 VanDerWaalsContact O-N 3.08Å; E280-S284 PolarHBondContact O-OG 2.83Å; E280-F353 HydrophobicContact CG-CZ 4.38Å; E280-S356 VanDerWaalsContact OE1-CB 3.26Å; E280-S356 WeakPolarHBondContact OE1-CB 3.44Å; E280-S356 PolarHBondContact OE1-N 2.94Å; E280-S356 PolarHBondContact OE1-OG 3.49Å; E280-R359 WeakPolarHBondContact OE2-CD 3.49Å; E280-R359 IonicContact OE2-CZ 3.43Å; E280-R359 IonicContact OE2-NE 2.78Å; E280-R359 IonicContact OE2-NH1 3.22Å; E280-R359 PolarHBondContact OE2-NH1 3.21Å
281	K	89.5	Confident	89.6	Confident	133 Å²	133	59.1 Å²	59.1	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-67	-51.4	176.7	-173.5	178.4	178.6	-179.2	0	111.6	E277 Y279 A283 S284 D285	E277-K281 WeakPolarHBondContact O-CB 3.26Å; E277-K281 PolarHBondContact O-N 3.07Å; Y279-K281 VanDerWaalsContact C-N 3.33Å; Y279-K281 PolarHBondContact O-N 3.23Å; K281-A283 VanDerWaalsContact C-N 3.29Å; K281-A283 PolarHBondContact O-N 3.34Å; K281-S284 WeakPolarHBondContact O-CB 3.46Å; K281-S284 PolarHBondContact O-N 3.13Å; K281-D285 PolarHBondContact O-N 3.08Å
282	L	91.6	Very high	90.2	Very high	45 Å²	45	63 Å²	63	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-40.8	177.2	-82.4	158.4	0	0	0	111.9	D278 Y279 L286 E330 L334	D278-L282 WeakPolarHBondContact O-CB 3.48Å; D278-L282 WeakPolarHBondContact O-CD1 3.45Å; D278-L282 WeakPolarHBondContact O-CG 3.49Å; D278-L282 PolarHBondContact O-N 3.37Å; Y279-L282 PolarHBondContact O-N 2.64Å; L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 3.05Å; L282-L286 VanDerWaalsContact O-N 3.08Å; L282-E330 HydrophobicContact CD2-CG 4.42Å; L282-L334 HydrophobicContact CB-CD1 4.27Å
283	A	91.5	Very high	90.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-43.4	177	0	0	0	0	0	111.9	Y279 K281 L287 L334 R359 I364	Y279-A283 HydrophobicContact CE1-CB 4.22Å; Y279-A283 VanDerWaalsContact O-CB 3.26Å; Y279-A283 WeakPolarHBondContact O-CB 2.92Å; Y279-A283 PolarHBondContact O-N 2.92Å; K281-A283 VanDerWaalsContact C-N 3.29Å; K281-A283 PolarHBondContact O-N 3.34Å; A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.26Å; A283-L287 VanDerWaalsContact O-CG 3.25Å; A283-L287 WeakPolarHBondContact O-CG 3.3Å; A283-L287 PolarHBondContact O-N 3.18Å; A283-L334 VanDerWaalsContact CA-CD1 3.41Å; A283-L334 HydrophobicContact CB-CD1 3.72Å; A283-R359 HydrophobicContact CB-CB 4.25Å; A283-I364 HydrophobicContact CB-CD1 4.03Å
284	S	91.6	Very high	91.2	Very high	26 Å²	26	60.4 Å²	60.4	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-51.5	179.7	-59.1	0	0	0	0	111.7	E280 K281 L286 L287 E288 R359	E280-S284 WeakPolarHBondContact O-CB 3.49Å; E280-S284 PolarHBondContact O-N 3.41Å; E280-S284 VanDerWaalsContact O-N 3.08Å; E280-S284 PolarHBondContact O-OG 2.83Å; K281-S284 WeakPolarHBondContact O-CB 3.46Å; K281-S284 PolarHBondContact O-N 3.13Å; S284-L286 VanDerWaalsContact C-N 3.32Å; S284-L286 PolarHBondContact O-N 2.93Å; S284-L287 PolarHBondContact O-N 2.67Å; S284-E288 WeakPolarHBondContact O-CB 3.34Å; S284-E288 PolarHBondContact O-N 2.75Å; S284-R359 PolarHBondContact OG-NH1 2.9Å; S284-R359 PolarHBondContact OG-NH2 3.02Å; S284-R359 VanDerWaalsContact OG-NH2 3.13Å
285	D	92.1	Very high	91.7	Very high	79 Å²	79	59.3 Å²	59.3	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-41.6	-177.7	-69	-11.1	0	0	0	111	K281 W289	K281-D285 PolarHBondContact O-N 3.08Å; D285-W289 WeakPolarHBondContact O-CB 3.42Å; D285-W289 PolarHBondContact O-N 3.03Å
286	L	93.6	Very high	92.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-67.3	-46.4	178.4	-174.1	63.6	0	0	0	111.9	L282 S284 E288 W289 I290 K327 K331 I364 W368	L282-L286 VanDerWaalsContact O-CB 3.3Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 3.05Å; L282-L286 VanDerWaalsContact O-N 3.08Å; S284-L286 VanDerWaalsContact C-N 3.32Å; S284-L286 PolarHBondContact O-N 2.93Å; L286-E288 PolarHBondContact O-N 3.08Å; L286-W289 PolarHBondContact O-N 2.87Å; L286-I290 HydrophobicContact CG-CD1 4.24Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.4Å; L286-K327 HydrophobicContact CD1-CB 4.13Å; L286-K327 HydrophobicContact CD1-CD 4.34Å; L286-K331 HydrophobicContact CD2-CB 3.89Å; L286-K331 HydrophobicContact CD2-CG 4.35Å; L286-I364 HydrophobicContact CD2-CG2 3.87Å; L286-W368 HydrophobicContact CD1-CZ3 4.15Å
287	L	92.7	Very high	92.4	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-34.3	179.5	-74.2	170.2	0	0	0	112.7	A283 S284 R291 G358 R359 I364 A367	A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.26Å; A283-L287 VanDerWaalsContact O-CG 3.25Å; A283-L287 WeakPolarHBondContact O-CG 3.3Å; A283-L287 PolarHBondContact O-N 3.18Å; S284-L287 PolarHBondContact O-N 2.67Å; L287-R291 WeakPolarHBondContact O-CB 3.49Å; L287-R291 WeakPolarHBondContact O-CG 3.4Å; L287-R291 PolarHBondContact O-N 3.16Å; L287-R291 VanDerWaalsContact O-N 3.08Å; L287-R291 PolarHBondContact O-NE 2.94Å; L287-G358 WeakPolarHBondContact CD1-O 3.35Å; L287-R359 HydrophobicContact CD1-CG 4.09Å; L287-I364 HydrophobicContact CD1-CG1 4.14Å; L287-I364 HydrophobicContact CD2-CG1 4.01Å; L287-I364 HydrophobicContact CG-CG1 4.1Å; L287-A367 HydrophobicContact CD2-CB 3.98Å
288	E	92.7	Very high	92.6	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	27%	0.271	S	S	*	.	H	α-helix	trans	-66.3	-44.9	172.5	-174.5	174.8	175.4	0	0	111.3	S284 L286 I290 R291 R292	S284-E288 WeakPolarHBondContact O-CB 3.34Å; S284-E288 PolarHBondContact O-N 2.75Å; L286-E288 PolarHBondContact O-N 3.08Å; E288-I290 PolarHBondContact O-N 3.36Å; E288-R291 PolarHBondContact O-N 3.24Å; E288-R292 PolarHBondContact O-N 3.29Å
289	W	95.3	Very high	92.8	Very high	35 Å²	35	60 Å²	60	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-45.3	176.2	179.7	85.5	0	0	0	112.1	D285 L286 R292 T293 Y319 K327 W368 L371	D285-W289 WeakPolarHBondContact O-CB 3.42Å; D285-W289 PolarHBondContact O-N 3.03Å; L286-W289 PolarHBondContact O-N 2.87Å; W289-R292 PolarHBondContact O-N 3.27Å; W289-T293 HydrophobicContact CZ2-CG2 4.4Å; W289-T293 WeakPolarHBondContact O-CB 3.26Å; W289-T293 PolarHBondContact O-N 2.69Å; W289-T293 PolarHBondContact O-OG1 3.45Å; W289-Y319 AromaticContact CH2-CE2 3.86Å; W289-Y319 HydrophobicContact CH2-CE2 3.86Å; W289-Y319 AromaticContact CZ2-CE2 3.72Å; W289-Y319 HydrophobicContact CZ2-CE2 3.72Å; W289-K327 HydrophobicContact CD2-CD 4.41Å; W289-K327 HydrophobicContact CD2-CG 3.87Å; W289-K327 HydrophobicContact CE3-CB 4.24Å; W289-K327 HydrophobicContact CE3-CG 4Å; W289-K327 HydrophobicContact CG-CG 4.46Å; W289-K327 HydrophobicContact CH2-CB 4.2Å; W289-K327 HydrophobicContact CH2-CG 4.12Å; W289-K327 HydrophobicContact CZ2-CG 3.96Å; W289-K327 HydrophobicContact CZ3-CB 4.04Å; W289-K327 HydrophobicContact CZ3-CG 4.13Å; W289-W368 HydrophobicContact CZ3-CH2 4.35Å; W289-W368 AromaticContact CZ3-CZ3 3.95Å; W289-W368 HydrophobicContact CZ3-CZ3 3.95Å; W289-L371 HydrophobicContact CH2-CD2 4.03Å; W289-L371 HydrophobicContact CZ3-CD2 3.53Å
290	I	94.4	Very high	92.7	Very high	3 Å²	3	66 Å²	66	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-50.3	175.8	-66.8	167.3	0	0	0	110.3	L286 E288 R292 T293 I294 A367 W368 L371	L286-I290 HydrophobicContact CG-CD1 4.24Å; L286-I290 VanDerWaalsContact O-CG1 3.3Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.4Å; E288-I290 PolarHBondContact O-N 3.36Å; I290-R292 VanDerWaalsContact C-N 3.27Å; I290-R292 PolarHBondContact O-N 3.08Å; I290-T293 PolarHBondContact O-N 2.75Å; I290-T293 VanDerWaalsContact O-N 3.1Å; I290-I294 HydrophobicContact CG2-CD1 3.73Å; I290-I294 HydrophobicContact CG2-CG1 4.29Å; I290-I294 WeakPolarHBondContact O-CG1 3.4Å; I290-I294 PolarHBondContact O-N 2.95Å; I290-A367 HydrophobicContact CD1-CB 4.21Å; I290-A367 HydrophobicContact CG2-CB 4.26Å; I290-W368 HydrophobicContact CD1-CE3 3.96Å; I290-W368 HydrophobicContact CG1-CE3 4.33Å; I290-L371 HydrophobicContact CG1-CD2 4.31Å; I290-L371 HydrophobicContact CG2-CB 4.24Å
291	R	93.4	Very high	92.8	Very high	172 Å²	172	68.5 Å²	68.5	65%	0.649	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-35.2	-179.4	-81.1	-177.1	-76.1	-161.1	-0.3	113.3	L287 E288 P295	L287-R291 WeakPolarHBondContact O-CB 3.49Å; L287-R291 WeakPolarHBondContact O-CG 3.4Å; L287-R291 PolarHBondContact O-N 3.16Å; L287-R291 VanDerWaalsContact O-N 3.08Å; L287-R291 PolarHBondContact O-NE 2.94Å; E288-R291 PolarHBondContact O-N 3.24Å; R291-P295 WeakPolarHBondContact O-CD 3.09Å
292	R	94.4	Very high	92.6	Very high	189 Å²	189	65.4 Å²	65.4	71%	0.713	31%	0.308	S	S	*	.	H	α-helix	trans	-77.3	-29.9	176.7	-164.9	178.8	74.3	-177	4	113	E288 W289 I290	E288-R292 PolarHBondContact O-N 3.29Å; W289-R292 PolarHBondContact O-N 3.27Å; I290-R292 VanDerWaalsContact C-N 3.27Å; I290-R292 PolarHBondContact O-N 3.08Å
293	T	95	Very high	92.5	Very high	12 Å²	12	66.6 Å²	66.6	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-81.5	-35.6	-174.5	-54.9	0	0	0	0	112.2	W289 I290 W296 L297 Y319 L371	W289-T293 HydrophobicContact CZ2-CG2 4.4Å; W289-T293 WeakPolarHBondContact O-CB 3.26Å; W289-T293 PolarHBondContact O-N 2.69Å; W289-T293 PolarHBondContact O-OG1 3.45Å; I290-T293 PolarHBondContact O-N 2.75Å; I290-T293 VanDerWaalsContact O-N 3.1Å; T293-W296 HydrophobicContact CG2-CE3 4.46Å; T293-W296 PolarHBondContact O-N 3.36Å; T293-W296 VanDerWaalsContact O-N 3.15Å; T293-L297 HydrophobicContact CG2-CD1 4.07Å; T293-L297 HydrophobicContact CG2-CG 4.38Å; T293-L297 PolarHBondContact O-N 2.87Å; T293-Y319 HydrophobicContact CG2-CD2 4.5Å; T293-Y319 HydrophobicContact CG2-CE2 3.7Å; T293-L371 HydrophobicContact CG2-CD1 3.94Å
294	I	93.9	Very high	91.8	Very high	34 Å²	34	72.5 Å²	72.5	17%	0.174	34%	0.344	C	S	.	.	H	α-helix	trans	-53.4	-51.7	-179.3	-73.3	168.5	0	0	0	112.5	I290 W296 L297 E298 L371 V374	I290-I294 HydrophobicContact CG2-CD1 3.73Å; I290-I294 HydrophobicContact CG2-CG1 4.29Å; I290-I294 WeakPolarHBondContact O-CG1 3.4Å; I290-I294 PolarHBondContact O-N 2.95Å; I294-W296 VanDerWaalsContact C-N 3.25Å; I294-W296 PolarHBondContact O-N 3.3Å; I294-L297 PolarHBondContact O-N 3.21Å; I294-L297 VanDerWaalsContact O-N 3.07Å; I294-E298 HydrophobicContact CG2-CG 4.13Å; I294-E298 WeakPolarHBondContact O-CG 3.46Å; I294-E298 PolarHBondContact O-N 2.91Å; I294-L371 HydrophobicContact CG1-CB 4.47Å; I294-L371 HydrophobicContact CG1-CD1 3.95Å; I294-V374 HydrophobicContact CG2-CG2 4.4Å
295	P	94.7	Very high	91.5	Very high	75 Å²	75	74.8 Å²	74.8	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-30.6	-179.5	-25.2	34.8	0	0	0	114.3	R291 E298 N299	R291-P295 WeakPolarHBondContact O-CD 3.09Å; P295-E298 PolarHBondContact O-N 3.33Å; P295-N299 PolarHBondContact O-N 2.94Å
296	W	94.4	Very high	91.3	Very high	99 Å²	99	72.9 Å²	72.9	38%	0.375	35%	0.346	S	S	.	.	H	α-helix	trans	-68.6	-40	176	174.1	76.3	0	0	0	111.5	T293 I294 N299 D315 F316 Y319	T293-W296 HydrophobicContact CG2-CE3 4.46Å; T293-W296 PolarHBondContact O-N 3.36Å; T293-W296 VanDerWaalsContact O-N 3.15Å; I294-W296 VanDerWaalsContact C-N 3.25Å; I294-W296 PolarHBondContact O-N 3.3Å; W296-N299 PolarHBondContact O-N 3.45Å; W296-D315 HydrophobicContact CZ2-CB 4.46Å; W296-F316 HydrophobicContact CH2-CD2 4.29Å; W296-F316 HydrophobicContact CZ3-CD2 4.48Å; W296-Y319 HydrophobicContact CH2-CG 4.11Å; W296-Y319 HydrophobicContact CZ3-CD1 4.06Å; W296-Y319 HydrophobicContact CZ3-CD2 4.06Å; W296-Y319 AromaticContact CZ3-CG 3.76Å; W296-Y319 HydrophobicContact CZ3-CG 3.76Å
297	L	93.3	Very high	91	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-75.8	-24.7	175.1	-64.6	171.1	0	0	0	113	T293 I294 N299 F316 Y319 L371 V374 E375 Y378	T293-L297 HydrophobicContact CG2-CD1 4.07Å; T293-L297 HydrophobicContact CG2-CG 4.38Å; T293-L297 PolarHBondContact O-N 2.87Å; I294-L297 PolarHBondContact O-N 3.21Å; I294-L297 VanDerWaalsContact O-N 3.07Å; L297-N299 VanDerWaalsContact C-N 3.31Å; L297-F316 HydrophobicContact CD2-CD2 4.04Å; L297-F316 HydrophobicContact CD2-CE2 3.8Å; L297-Y319 HydrophobicContact CD2-CE1 4.4Å; L297-L371 HydrophobicContact CD1-CD1 3.67Å; L297-V374 HydrophobicContact CB-CB 4.48Å; L297-V374 HydrophobicContact CB-CG1 3.47Å; L297-V374 VanDerWaalsContact CB-CG1 3.47Å; L297-E375 HydrophobicContact CD1-CB 4.14Å; L297-Y378 HydrophobicContact CD2-CD1 3.74Å; L297-Y378 HydrophobicContact CD2-CE1 4.31Å; L297-Y378 HydrophobicContact CD2-CG 4.15Å; L297-Y378 WeakPolarHBondContact O-CB 3.43Å; L297-Y378 WeakPolarHBondContact O-CD2 3.43Å
298	E	92.7	Very high	90.8	Very high	113 Å²	113	79.9 Å²	79.9	53%	0.528	38%	0.383	S	S	.	.	H	α-helix	trans	-78	-16.5	174.2	-72.7	-174.1	157.7	0	0	113.2	I294 P295 R300 V374	I294-E298 HydrophobicContact CG2-CG 4.13Å; I294-E298 WeakPolarHBondContact O-CG 3.46Å; I294-E298 PolarHBondContact O-N 2.91Å; P295-E298 PolarHBondContact O-N 3.33Å; E298-R300 PolarHBondContact O-N 3.24Å; E298-V374 HydrophobicContact CB-CG1 4.43Å; E298-V374 HydrophobicContact CG-CG1 3.49Å; E298-V374 VanDerWaalsContact CG-CG1 3.49Å; E298-V374 HydrophobicContact CG-CG2 4.16Å
299	N	91.4	Very high	90.7	Very high	74 Å²	74	74 Å²	74	40%	0.396	36%	0.356	S	S	.	.			trans	-72.4	96.6	-179.6	-176.7	8.1	0	0	0	111.9	P295 W296 L297 V301 Y378	P295-N299 PolarHBondContact O-N 2.94Å; W296-N299 PolarHBondContact O-N 3.45Å; L297-N299 VanDerWaalsContact C-N 3.31Å; N299-V301 WeakPolarHBondContact OD1-CG2 3.37Å; N299-V301 PolarHBondContact OD1-N 3.27Å; N299-Y378 WeakPolarHBondContact O-CE2 3.34Å
300	R	90.8	Very high	90.4	Very high	127 Å²	127	76.6 Å²	76.6	48%	0.479	37%	0.369	S	S	.	.			trans	-101	35.6	-178.4	-61.4	-179	-168.6	-157.5	1.5	113.9	E298 P302 W381	E298-R300 PolarHBondContact O-N 3.24Å; R300-P302 WeakPolarHBondContact O-CD 3.44Å; R300-W381 HydrophobicContact CB-CD2 3.96Å; R300-W381 HydrophobicContact CB-CE3 4.49Å; R300-W381 HydrophobicContact CB-CG 4.3Å; R300-W381 HydrophobicContact CB-CZ2 4.1Å; R300-W381 HydrophobicContact CG-CD2 3.98Å; R300-W381 HydrophobicContact CG-CE3 4.33Å; R300-W381 HydrophobicContact CG-CG 4.1Å; R300-W381 WeakPolarHBondContact O-CZ2 3.3Å
301	V	89.9	Confident	90.2	Very high	82 Å²	82	81.2 Å²	81.2	50%	0.497	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-71.5	119.2	175.5	175	0	0	0	0	109.5	N299 W381	N299-V301 WeakPolarHBondContact OD1-CG2 3.37Å; N299-V301 PolarHBondContact OD1-N 3.27Å; V301-W381 WeakPolarHBondContact O-CH2 3.3Å
302	P	86.3	Confident	90.1	Very high	69 Å²	69	74.6 Å²	74.6	45%	0.448	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.7	145.3	178.3	30.6	-33.8	0	0	0	110.7	R300 E385	R300-P302 WeakPolarHBondContact O-CD 3.44Å; P302-E385 HydrophobicContact CB-CG 4.36Å
303	E	88.1	Confident	90	Very high	69 Å²	69	67 Å²	67	32%	0.322	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-98.1	152	172.5	-62.4	-67.4	163.5	0	0	110.6	T305 A308 M309 K312	E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 2.85Å; E303-A308 HydrophobicContact CB-CB 3.69Å; E303-A308 HydrophobicContact CG-CB 3.92Å; E303-M309 HydrophobicContact CB-CG 3.95Å; E303-M309 HydrophobicContact CB-SD 3.78Å; E303-M309 HydrophobicContact CG-SD 3.8Å; E303-K312 HydrophobicContact CG-CD 3.96Å; E303-K312 WeakPolarHBondContact OE1-CE 3.41Å; E303-K312 IonicContact OE1-NZ 2.8Å
304	N	77.3	Confident	89.7	Confident	124 Å²	124	70.1 Å²	70.1	66%	0.663	35%	0.353	S	S	*	.	S	Bend	trans	-76.8	-13.2	-175.7	-64.6	-33	0	0	0	114
305	T	85.3	Confident	89.7	Confident	74 Å²	74	71.8 Å²	71.8	45%	0.454	36%	0.363	S	S	.	.	S	Bend	trans	-127.6	143.4	-175.1	66.3	0	0	0	0	111.5	E303 H307 A308 M309	E303-T305 VanDerWaalsContact C-N 3.29Å; E303-T305 PolarHBondContact O-N 2.85Å; T305-H307 PolarHBondContact O-N 3.27Å; T305-A308 PolarHBondContact O-N 2.97Å; T305-A308 VanDerWaalsContact OG1-CB 3.26Å; T305-A308 WeakPolarHBondContact OG1-CB 3.42Å; T305-A308 PolarHBondContact OG1-N 3.28Å; T305-M309 PolarHBondContact O-N 2.74Å
306	M	87	Confident	89.7	Confident	40 Å²	40	68.4 Å²	68.4	20%	0.197	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-39.1	174.7	-171.3	-172	-169.2	0	0	111.4	M309 Q310 I386 L389 E390	M306-M309 PolarHBondContact O-N 3.27Å; M306-Q310 WeakPolarHBondContact O-CG 3.17Å; M306-Q310 PolarHBondContact O-N 3.5Å; M306-I386 HydrophobicContact CE-CG2 4.27Å; M306-L389 HydrophobicContact CB-CB 4.34Å; M306-E390 HydrophobicContact CE-CB 3.88Å; M306-E390 HydrophobicContact CE-CG 3.95Å; M306-E390 HydrophobicContact SD-CB 4.41Å
307	H	87.4	Confident	89.5	Confident	136 Å²	136	70 Å²	70	63%	0.63	35%	0.347	S	S	*	.	H	α-helix	trans	-62.9	-43.2	179.5	-172.6	58.9	0	0	0	112.7	T305 M309 Q310 Q311	T305-H307 PolarHBondContact O-N 3.27Å; H307-M309 VanDerWaalsContact C-N 3.34Å; H307-M309 PolarHBondContact O-N 3.08Å; H307-Q310 WeakPolarHBondContact O-CB 3.36Å; H307-Q310 PolarHBondContact O-N 3.36Å; H307-Q311 PolarHBondContact O-N 3Å
308	A	89.3	Confident	89.5	Confident	28 Å²	28	73 Å²	73	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-37.9	175.9	0	0	0	0	0	112.1	E303 T305 Q311 K312	E303-A308 HydrophobicContact CB-CB 3.69Å; E303-A308 HydrophobicContact CG-CB 3.92Å; T305-A308 PolarHBondContact O-N 2.97Å; T305-A308 VanDerWaalsContact OG1-CB 3.26Å; T305-A308 WeakPolarHBondContact OG1-CB 3.42Å; T305-A308 PolarHBondContact OG1-N 3.28Å; A308-Q311 PolarHBondContact O-N 3.33Å; A308-K312 PolarHBondContact O-N 3.34Å; A308-K312 VanDerWaalsContact O-N 3.13Å
309	M	90.6	Very high	89.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-34.1	173.7	-73.4	-53.8	-73.8	0	0	113.2	E303 T305 M306 H307 Q311 K312 L313 W381 L382 E385 I386 L389	E303-M309 HydrophobicContact CB-CG 3.95Å; E303-M309 HydrophobicContact CB-SD 3.78Å; E303-M309 HydrophobicContact CG-SD 3.8Å; T305-M309 PolarHBondContact O-N 2.74Å; M306-M309 PolarHBondContact O-N 3.27Å; H307-M309 VanDerWaalsContact C-N 3.34Å; H307-M309 PolarHBondContact O-N 3.08Å; M309-Q311 VanDerWaalsContact C-N 3.32Å; M309-K312 PolarHBondContact O-N 2.77Å; M309-K312 HydrophobicContact SD-CD 3.83Å; M309-L313 PolarHBondContact O-N 3.1Å; M309-W381 HydrophobicContact CE-CH2 3.76Å; M309-W381 HydrophobicContact CE-CZ2 4.18Å; M309-W381 HydrophobicContact CE-CZ3 4.07Å; M309-W381 HydrophobicContact SD-CH2 4.44Å; M309-L382 HydrophobicContact CE-CD2 3.56Å; M309-E385 HydrophobicContact CE-CB 3.75Å; M309-E385 HydrophobicContact CE-CG 3.65Å; M309-E385 HydrophobicContact CG-CG 4.34Å; M309-E385 HydrophobicContact SD-CG 4.35Å; M309-I386 HydrophobicContact CB-CG1 3.84Å; M309-L389 HydrophobicContact CB-CD1 4.06Å; M309-L389 HydrophobicContact CG-CD1 3.42Å; M309-L389 VanDerWaalsContact CG-CD1 3.42Å
310	Q	88.8	Confident	89.7	Confident	88 Å²	88	70 Å²	70	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-39.1	172	-76	173.6	-12.8	0	0	111.5	M306 H307 L313 E314	M306-Q310 WeakPolarHBondContact O-CG 3.17Å; M306-Q310 PolarHBondContact O-N 3.5Å; H307-Q310 WeakPolarHBondContact O-CB 3.36Å; H307-Q310 PolarHBondContact O-N 3.36Å; Q310-L313 WeakPolarHBondContact O-CB 3.25Å; Q310-L313 PolarHBondContact O-N 3.45Å; Q310-E314 PolarHBondContact O-N 3.2Å
311	Q	90.9	Very high	89.6	Confident	101 Å²	101	73.4 Å²	73.4	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-45.5	174.2	-172.8	60.7	40.2	0	0	111.3	H307 A308 M309 L313 E314 D315	H307-Q311 PolarHBondContact O-N 3Å; A308-Q311 PolarHBondContact O-N 3.33Å; M309-Q311 VanDerWaalsContact C-N 3.32Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.99Å; Q311-E314 PolarHBondContact O-N 3Å; Q311-D315 PolarHBondContact NE2-OD1 3.49Å; Q311-D315 VanDerWaalsContact O-CG 3.28Å; Q311-D315 PolarHBondContact O-N 2.97Å
312	K	91.4	Very high	89.6	Confident	33 Å²	33	74.3 Å²	74.3	14%	0.143	36%	0.355	C	S	.	.	H	α-helix	trans	-59.6	-35.9	173.6	-80.2	176.3	174.9	-102	0	113.1	E303 A308 M309 F316 L382	E303-K312 HydrophobicContact CG-CD 3.96Å; E303-K312 WeakPolarHBondContact OE1-CE 3.41Å; E303-K312 IonicContact OE1-NZ 2.8Å; A308-K312 PolarHBondContact O-N 3.34Å; A308-K312 VanDerWaalsContact O-N 3.13Å; M309-K312 PolarHBondContact O-N 2.77Å; M309-K312 HydrophobicContact SD-CD 3.83Å; K312-F316 WeakPolarHBondContact O-CB 3.32Å; K312-F316 PolarHBondContact O-N 2.68Å; K312-L382 HydrophobicContact CB-CD2 4.02Å
313	L	91	Very high	89.9	Confident	28 Å²	28	76.2 Å²	76.2	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-38.2	174.3	-178.9	67.2	0	0	0	111.5	M309 Q310 Q311 F316 R317 L382 I386	M309-L313 PolarHBondContact O-N 3.1Å; Q310-L313 WeakPolarHBondContact O-CB 3.25Å; Q310-L313 PolarHBondContact O-N 3.45Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.99Å; L313-F316 WeakPolarHBondContact O-CB 3.34Å; L313-F316 PolarHBondContact O-N 2.95Å; L313-R317 WeakPolarHBondContact O-CG 3.3Å; L313-R317 PolarHBondContact O-N 3.31Å; L313-L382 HydrophobicContact CD1-CD1 4.29Å; L313-I386 HydrophobicContact CB-CD1 4.03Å; L313-I386 HydrophobicContact CD2-CD1 3.82Å; L313-I386 HydrophobicContact CG-CD1 4.4Å
314	E	90.4	Very high	90.1	Very high	78 Å²	78	74.2 Å²	74.2	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-43.3	176.5	-159.7	61.7	-160.8	0	0	111.3	Q310 Q311 F316 R317 D318	Q310-E314 PolarHBondContact O-N 3.2Å; Q311-E314 PolarHBondContact O-N 3Å; E314-F316 PolarHBondContact O-N 3.44Å; E314-R317 WeakPolarHBondContact O-CA 3.36Å; E314-R317 WeakPolarHBondContact O-CB 3.45Å; E314-R317 PolarHBondContact O-N 3.44Å; E314-R317 VanDerWaalsContact OE2-CD 3.24Å; E314-R317 WeakPolarHBondContact OE2-CD 3.33Å; E314-R317 IonicContact OE2-CZ 3.81Å; E314-R317 IonicContact OE2-NE 3.24Å; E314-R317 IonicContact OE2-NH1 3.59Å; E314-R317 PolarHBondContact OE2-NH1 3.49Å; E314-D318 PolarHBondContact O-N 3.42Å
315	D	92.6	Very high	90.9	Very high	70 Å²	70	71.1 Å²	71.1	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-38.6	172.4	-59.8	-17.7	0	0	0	111.1	W296 Q311 Y319	W296-D315 HydrophobicContact CZ2-CB 4.46Å; Q311-D315 PolarHBondContact NE2-OD1 3.49Å; Q311-D315 VanDerWaalsContact O-CG 3.28Å; Q311-D315 PolarHBondContact O-N 2.97Å; D315-Y319 WeakPolarHBondContact O-CB 3.45Å; D315-Y319 PolarHBondContact O-N 3.37Å
316	F	94.2	Very high	91.2	Very high	3 Å²	3	70.3 Å²	70.3	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-36.7	174.4	-176.2	-111.9	0	0	0	113.2	W296 L297 K312 L313 E314 Y319 R320 E375 Y378 E379 L382	W296-F316 HydrophobicContact CH2-CD2 4.29Å; W296-F316 HydrophobicContact CZ3-CD2 4.48Å; L297-F316 HydrophobicContact CD2-CD2 4.04Å; L297-F316 HydrophobicContact CD2-CE2 3.8Å; K312-F316 WeakPolarHBondContact O-CB 3.32Å; K312-F316 PolarHBondContact O-N 2.68Å; L313-F316 WeakPolarHBondContact O-CB 3.34Å; L313-F316 PolarHBondContact O-N 2.95Å; E314-F316 PolarHBondContact O-N 3.44Å; F316-Y319 AromaticContact CD2-CD1 3.91Å; F316-Y319 HydrophobicContact CD2-CD1 3.91Å; F316-Y319 AromaticContact CE2-CD1 3.91Å; F316-Y319 HydrophobicContact CE2-CD1 3.91Å; F316-Y319 HydrophobicContact CE2-CE1 4.11Å; F316-Y319 WeakPolarHBondContact O-CB 3.29Å; F316-Y319 PolarHBondContact O-N 2.83Å; F316-R320 HydrophobicContact CD1-CG 4.45Å; F316-R320 HydrophobicContact CE1-CG 4.08Å; F316-R320 HydrophobicContact CE2-CG 4.26Å; F316-R320 HydrophobicContact CZ-CG 3.98Å; F316-R320 WeakPolarHBondContact O-CG 3.5Å; F316-R320 PolarHBondContact O-N 3.2Å; F316-E375 HydrophobicContact CE2-CG 3.9Å; F316-E375 HydrophobicContact CZ-CG 3.76Å; F316-Y378 HydrophobicContact CB-CE1 4.23Å; F316-Y378 AromaticContact CD2-CD1 3.62Å; F316-Y378 HydrophobicContact CD2-CD1 3.62Å; F316-Y378 AromaticContact CD2-CE1 3.81Å; F316-Y378 HydrophobicContact CD2-CE1 3.81Å; F316-Y378 AromaticContact CE2-CD1 3.84Å; F316-Y378 HydrophobicContact CE2-CD1 3.84Å; F316-Y378 HydrophobicContact CE2-CE1 4.48Å; F316-Y378 HydrophobicContact CG-CD1 4.2Å; F316-Y378 HydrophobicContact CG-CE1 4.17Å; F316-E379 HydrophobicContact CE1-CB 3.88Å; F316-E379 HydrophobicContact CE1-CG 4.01Å; F316-E379 HydrophobicContact CZ-CB 4.04Å; F316-L382 HydrophobicContact CB-CD1 3.97Å; F316-L382 HydrophobicContact CD1-CD1 4.23Å; F316-L382 HydrophobicContact CG-CD1 4.08Å
317	R	91.6	Very high	91.5	Very high	134 Å²	134	70.3 Å²	70.3	51%	0.506	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-43.4	173.4	-75.4	167.7	172.3	176.7	-0.4	111.5	L313 E314 Y319 R320 R321	L313-R317 WeakPolarHBondContact O-CG 3.3Å; L313-R317 PolarHBondContact O-N 3.31Å; E314-R317 WeakPolarHBondContact O-CA 3.36Å; E314-R317 WeakPolarHBondContact O-CB 3.45Å; E314-R317 PolarHBondContact O-N 3.44Å; E314-R317 VanDerWaalsContact OE2-CD 3.24Å; E314-R317 WeakPolarHBondContact OE2-CD 3.33Å; E314-R317 IonicContact OE2-CZ 3.81Å; E314-R317 IonicContact OE2-NE 3.24Å; E314-R317 IonicContact OE2-NH1 3.59Å; E314-R317 PolarHBondContact OE2-NH1 3.49Å; R317-Y319 VanDerWaalsContact C-N 3.33Å; R317-R320 PolarHBondContact O-N 3.38Å; R317-R321 WeakPolarHBondContact O-CB 3.43Å; R317-R321 PolarHBondContact O-N 3.37Å
318	D	92.2	Very high	91.8	Very high	63 Å²	63	67.1 Å²	67.1	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175.4	-80.5	-14.3	0	0	0	111.1	E314 R320 R321 L322 H323	E314-D318 PolarHBondContact O-N 3.42Å; D318-R320 PolarHBondContact O-N 3.31Å; D318-R321 PolarHBondContact O-N 3.48Å; D318-L322 WeakPolarHBondContact O-CB 3.49Å; D318-L322 PolarHBondContact O-N 2.89Å; D318-H323 PolarHBondContact O-N 3.4Å
319	Y	94.8	Very high	92	Very high	11 Å²	11	72.6 Å²	72.6	4%	0.043	34%	0.34	C	S	.	.	I	π-helix	trans	-53.9	-51.4	169.4	162.8	-101.4	0	0	0	112.1	W289 T293 W296 L297 D315 F316 R317 R321 H323 K324 E375	W289-Y319 AromaticContact CH2-CE2 3.86Å; W289-Y319 HydrophobicContact CH2-CE2 3.86Å; W289-Y319 AromaticContact CZ2-CE2 3.72Å; W289-Y319 HydrophobicContact CZ2-CE2 3.72Å; T293-Y319 HydrophobicContact CG2-CD2 4.5Å; T293-Y319 HydrophobicContact CG2-CE2 3.7Å; W296-Y319 HydrophobicContact CH2-CG 4.11Å; W296-Y319 HydrophobicContact CZ3-CD1 4.06Å; W296-Y319 HydrophobicContact CZ3-CD2 4.06Å; W296-Y319 AromaticContact CZ3-CG 3.76Å; W296-Y319 HydrophobicContact CZ3-CG 3.76Å; L297-Y319 HydrophobicContact CD2-CE1 4.4Å; D315-Y319 WeakPolarHBondContact O-CB 3.45Å; D315-Y319 PolarHBondContact O-N 3.37Å; F316-Y319 AromaticContact CD2-CD1 3.91Å; F316-Y319 HydrophobicContact CD2-CD1 3.91Å; F316-Y319 AromaticContact CE2-CD1 3.91Å; F316-Y319 HydrophobicContact CE2-CD1 3.91Å; F316-Y319 HydrophobicContact CE2-CE1 4.11Å; F316-Y319 WeakPolarHBondContact O-CB 3.29Å; F316-Y319 PolarHBondContact O-N 2.83Å; R317-Y319 VanDerWaalsContact C-N 3.33Å; Y319-R321 PolarHBondContact O-N 3.23Å; Y319-H323 HydrophobicContact CD2-CB 4.35Å; Y319-H323 PolarHBondContact O-N 2.92Å; Y319-K324 HydrophobicContact CE1-CD 4.31Å; Y319-K324 HydrophobicContact CE2-CB 4.31Å; Y319-K324 WeakPolarHBondContact O-CB 3.39Å; Y319-K324 PolarHBondContact O-N 2.99Å; Y319-E375 HydrophobicContact CE1-CG 4.37Å; Y319-E375 PolarHBondContact OH-OE2 2.97Å; Y319-E375 VanDerWaalsContact OH-OE2 3.09Å
320	R	93.6	Very high	92	Very high	111 Å²	111	75 Å²	75	42%	0.419	35%	0.351	S	S	.	.	I	π-helix	trans	-69.2	-31.9	-178.3	-71.1	-117.9	-74.6	173.9	-13.2	113.9	F316 R317 D318 P325 E375 E379	F316-R320 HydrophobicContact CD1-CG 4.45Å; F316-R320 HydrophobicContact CE1-CG 4.08Å; F316-R320 HydrophobicContact CE2-CG 4.26Å; F316-R320 HydrophobicContact CZ-CG 3.98Å; F316-R320 WeakPolarHBondContact O-CG 3.5Å; F316-R320 PolarHBondContact O-N 3.2Å; R317-R320 PolarHBondContact O-N 3.38Å; D318-R320 PolarHBondContact O-N 3.31Å; R320-P325 VanDerWaalsContact O-CD 3.3Å; R320-P325 WeakPolarHBondContact O-CD 3.38Å; R320-P325 WeakPolarHBondContact O-CG 3.48Å; R320-E375 WeakPolarHBondContact CD-OE1 3.32Å; R320-E375 IonicContact NH1-OE1 3.89Å; R320-E379 IonicContact CZ-OE1 2.76Å; R320-E379 IonicContact NH2-OE1 3.26Å; R320-E379 PolarHBondContact NH2-OE1 3.17Å; R320-E379 IonicContact NH2-OE2 3.93Å
321	R	89.4	Confident	92.2	Very high	199 Å²	199	72.4 Å²	72.4	75%	0.751	34%	0.339	S	S	*	.	I	π-helix	trans	-91	-37.4	-173.3	-175.2	-178.7	176.5	-170.9	-0.8	113.2	R317 D318 Y319 P325	R317-R321 WeakPolarHBondContact O-CB 3.43Å; R317-R321 PolarHBondContact O-N 3.37Å; D318-R321 PolarHBondContact O-N 3.48Å; Y319-R321 PolarHBondContact O-N 3.23Å; R321-P325 WeakPolarHBondContact O-CG 3.43Å
322	L	90.4	Very high	92.2	Very high	101 Å²	101	70.8 Å²	70.8	53%	0.529	34%	0.338	S	S	.	.	I	π-helix	trans	-112	-44.3	-171.2	-59	175.8	0	0	0	112	D318 P326	D318-L322 WeakPolarHBondContact O-CB 3.49Å; D318-L322 PolarHBondContact O-N 2.89Å; L322-P326 VanDerWaalsContact O-CD 3.26Å; L322-P326 WeakPolarHBondContact O-CD 3.44Å
323	H	91.3	Very high	92.1	Very high	110 Å²	110	73.1 Å²	73.1	51%	0.509	35%	0.35	S	S	.	.	I	π-helix	trans	-89.8	-41.6	-169.9	-62.2	-66.7	0	0	0	114.2	D318 Y319 P326	D318-H323 PolarHBondContact O-N 3.4Å; Y319-H323 HydrophobicContact CD2-CB 4.35Å; Y319-H323 PolarHBondContact O-N 2.92Å; H323-P326 WeakPolarHBondContact O-CD 3.3Å; H323-P326 WeakPolarHBondContact O-CG 3.45Å
324	K	92.7	Very high	92.1	Very high	27 Å²	27	71.9 Å²	71.9	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-71.8	-43.1	-179.3	-176.7	176.4	176.8	170.8	0	114.3	Y319 K327 V328 W368 E375	Y319-K324 HydrophobicContact CE1-CD 4.31Å; Y319-K324 HydrophobicContact CE2-CB 4.31Å; Y319-K324 WeakPolarHBondContact O-CB 3.39Å; Y319-K324 PolarHBondContact O-N 2.99Å; K324-K327 WeakPolarHBondContact O-CA 3.45Å; K324-K327 WeakPolarHBondContact O-CB 3.5Å; K324-K327 PolarHBondContact O-N 2.88Å; K324-V328 HydrophobicContact CG-CG2 4.25Å; K324-V328 PolarHBondContact O-N 3.36Å; K324-V328 VanDerWaalsContact O-N 3.08Å; K324-W368 HydrophobicContact CG-CH2 4.49Å; K324-E375 WeakPolarHBondContact CD-OE2 3.42Å; K324-E375 WeakPolarHBondContact CE-OE2 3.45Å; K324-E375 IonicContact NZ-OE1 2.72Å; K324-E375 PolarHBondContact NZ-OE1 2.86Å; K324-E375 IonicContact NZ-OE2 3.62Å; K324-E375 PolarHBondContact NZ-OE2 2.86Å
325	P	93.6	Very high	92.1	Very high	59 Å²	59	71 Å²	71	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-55.8	-45.1	-175.9	-27.9	38.1	0	0	0	115.7	R320 R321 K327 V328 Q329	R320-P325 VanDerWaalsContact O-CD 3.3Å; R320-P325 WeakPolarHBondContact O-CD 3.38Å; R320-P325 WeakPolarHBondContact O-CG 3.48Å; R321-P325 WeakPolarHBondContact O-CG 3.43Å; P325-K327 PolarHBondContact O-N 3.45Å; P325-V328 WeakPolarHBondContact O-CB 3.26Å; P325-V328 PolarHBondContact O-N 2.9Å; P325-Q329 PolarHBondContact O-N 3.33Å
326	P	92.8	Very high	91.8	Very high	57 Å²	57	71.3 Å²	71.3	37%	0.37	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-31	176.1	24.5	-33.6	0	0	0	112.2	L322 H323 Q329 E330	L322-P326 VanDerWaalsContact O-CD 3.26Å; L322-P326 WeakPolarHBondContact O-CD 3.44Å; H323-P326 WeakPolarHBondContact O-CD 3.3Å; H323-P326 WeakPolarHBondContact O-CG 3.45Å; P326-Q329 WeakPolarHBondContact O-CB 3.33Å; P326-Q329 PolarHBondContact O-N 3.17Å; P326-E330 WeakPolarHBondContact O-CG 3.48Å; P326-E330 PolarHBondContact O-N 2.96Å
327	K	93.7	Very high	91.5	Very high	39 Å²	39	72.2 Å²	72.2	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-71.6	-31.9	177	-60	-51.3	-173.2	-172.4	0	113.4	L286 W289 K324 P325 Q329 E330 K331 W368	L286-K327 HydrophobicContact CD1-CB 4.13Å; L286-K327 HydrophobicContact CD1-CD 4.34Å; W289-K327 HydrophobicContact CD2-CD 4.41Å; W289-K327 HydrophobicContact CD2-CG 3.87Å; W289-K327 HydrophobicContact CE3-CB 4.24Å; W289-K327 HydrophobicContact CE3-CG 4Å; W289-K327 HydrophobicContact CG-CG 4.46Å; W289-K327 HydrophobicContact CH2-CB 4.2Å; W289-K327 HydrophobicContact CH2-CG 4.12Å; W289-K327 HydrophobicContact CZ2-CG 3.96Å; W289-K327 HydrophobicContact CZ3-CB 4.04Å; W289-K327 HydrophobicContact CZ3-CG 4.13Å; K324-K327 WeakPolarHBondContact O-CA 3.45Å; K324-K327 WeakPolarHBondContact O-CB 3.5Å; K324-K327 PolarHBondContact O-N 2.88Å; P325-K327 PolarHBondContact O-N 3.45Å; K327-Q329 VanDerWaalsContact C-N 3.3Å; K327-E330 WeakPolarHBondContact CD-OE2 3.45Å; K327-E330 WeakPolarHBondContact CE-OE2 3.46Å; K327-E330 IonicContact NZ-OE1 3.82Å; K327-E330 PolarHBondContact NZ-OE1 3.06Å; K327-E330 IonicContact NZ-OE2 2.91Å; K327-E330 PolarHBondContact NZ-OE2 3.12Å; K327-E330 PolarHBondContact O-N 3.45Å; K327-K331 PolarHBondContact O-N 3.2Å; K327-W368 HydrophobicContact CB-CH2 4.2Å; K327-W368 HydrophobicContact CB-CZ3 4.24Å
328	V	93.6	Very high	91.5	Very high	70 Å²	70	67.9 Å²	67.9	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-42.3	168.6	178.2	0	0	0	0	110.3	K324 P325 K331 C332 W368	K324-V328 HydrophobicContact CG-CG2 4.25Å; K324-V328 PolarHBondContact O-N 3.36Å; K324-V328 VanDerWaalsContact O-N 3.08Å; P325-V328 WeakPolarHBondContact O-CB 3.26Å; P325-V328 PolarHBondContact O-N 2.9Å; V328-K331 PolarHBondContact O-N 3.19Å; V328-C332 PolarHBondContact O-N 3Å; V328-C332 VanDerWaalsContact O-N 3.07Å; V328-W368 HydrophobicContact CG2-CH2 3.87Å; V328-W368 HydrophobicContact CG2-CZ2 3.6Å
329	Q	91.6	Very high	91.3	Very high	142 Å²	142	69.5 Å²	69.5	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-67.8	-41.4	178	-169.4	170.9	4.1	0	0	112	P325 P326 K327 K331 C332 Q333	P325-Q329 PolarHBondContact O-N 3.33Å; P326-Q329 WeakPolarHBondContact O-CB 3.33Å; P326-Q329 PolarHBondContact O-N 3.17Å; K327-Q329 VanDerWaalsContact C-N 3.3Å; Q329-K331 PolarHBondContact O-N 3.45Å; Q329-C332 PolarHBondContact O-N 2.86Å; Q329-Q333 WeakPolarHBondContact O-CB 3.34Å; Q329-Q333 PolarHBondContact O-N 3.02Å
330	E	92	Very high	91	Very high	50 Å²	50	71.9 Å²	71.9	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-43.4	173.2	-73.6	172.5	-157.1	0	0	111.9	L282 P326 K327 C332 Q333 L334	L282-E330 HydrophobicContact CD2-CG 4.42Å; P326-E330 WeakPolarHBondContact O-CG 3.48Å; P326-E330 PolarHBondContact O-N 2.96Å; K327-E330 WeakPolarHBondContact CD-OE2 3.45Å; K327-E330 WeakPolarHBondContact CE-OE2 3.46Å; K327-E330 IonicContact NZ-OE1 3.82Å; K327-E330 PolarHBondContact NZ-OE1 3.06Å; K327-E330 IonicContact NZ-OE2 2.91Å; K327-E330 PolarHBondContact NZ-OE2 3.12Å; K327-E330 PolarHBondContact O-N 3.45Å; E330-C332 PolarHBondContact O-N 3.46Å; E330-Q333 PolarHBondContact O-N 2.85Å; E330-L334 WeakPolarHBondContact O-CB 3.25Å; E330-L334 PolarHBondContact O-N 2.84Å
331	K	91.9	Very high	90.8	Very high	35 Å²	35	66.7 Å²	66.7	15%	0.152	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-47.9	173.9	-177.2	-166.9	172.9	-177.3	0	111.6	L286 K327 V328 Q329 L334 E335 I364 N365 W368	L286-K331 HydrophobicContact CD2-CB 3.89Å; L286-K331 HydrophobicContact CD2-CG 4.35Å; K327-K331 PolarHBondContact O-N 3.2Å; V328-K331 PolarHBondContact O-N 3.19Å; Q329-K331 PolarHBondContact O-N 3.45Å; K331-L334 WeakPolarHBondContact O-CB 3.21Å; K331-L334 PolarHBondContact O-N 3.49Å; K331-E335 PolarHBondContact O-N 3.46Å; K331-I364 HydrophobicContact CG-CG2 4.5Å; K331-N365 WeakPolarHBondContact CE-OD1 3.18Å; K331-N365 PolarHBondContact NZ-OD1 3.4Å; K331-W368 HydrophobicContact CD-CB 4.42Å; K331-W368 HydrophobicContact CD-CD2 3.83Å; K331-W368 HydrophobicContact CD-CE3 4.25Å; K331-W368 HydrophobicContact CD-CG 3.86Å
332	C	90.7	Very high	90.7	Very high	67 Å²	67	59.9 Å²	59.9	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-43.8	178.1	-177	0	0	0	0	111.5	V328 Q329 E330 L334 E335 I336	V328-C332 PolarHBondContact O-N 3Å; V328-C332 VanDerWaalsContact O-N 3.07Å; Q329-C332 PolarHBondContact O-N 2.86Å; E330-C332 PolarHBondContact O-N 3.46Å; C332-L334 VanDerWaalsContact C-N 3.29Å; C332-L334 PolarHBondContact O-N 3.31Å; C332-E335 PolarHBondContact O-N 2.87Å; C332-I336 WeakPolarHBondContact O-CG1 3.37Å; C332-I336 PolarHBondContact O-N 3.07Å
333	Q	89.3	Confident	90.4	Very high	82 Å²	82	57.8 Å²	57.8	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-37.3	178.2	-172.1	60.6	53.7	0	0	111.9	Q329 E330 I336 N337	Q329-Q333 WeakPolarHBondContact O-CB 3.34Å; Q329-Q333 PolarHBondContact O-N 3.02Å; E330-Q333 PolarHBondContact O-N 2.85Å; Q333-I336 PolarHBondContact O-N 3.23Å; Q333-N337 PolarHBondContact NE2-OD1 3.15Å; Q333-N337 WeakPolarHBondContact O-CB 3.49Å; Q333-N337 PolarHBondContact O-N 2.83Å; Q333-N337 PolarHBondContact O-OD1 3.39Å
334	L	91.9	Very high	90	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-44.2	175.7	-178.7	152.5	0	0	0	111.7	Y279 L282 A283 E330 K331 C332 N337 F338 V361 I364	Y279-L334 HydrophobicContact CD2-CD2 4.12Å; Y279-L334 HydrophobicContact CD2-CG 3.89Å; Y279-L334 HydrophobicContact CE2-CD1 4.45Å; Y279-L334 HydrophobicContact CE2-CD2 3.33Å; Y279-L334 HydrophobicContact CE2-CG 3.62Å; L282-L334 HydrophobicContact CB-CD1 4.27Å; A283-L334 VanDerWaalsContact CA-CD1 3.41Å; A283-L334 HydrophobicContact CB-CD1 3.72Å; E330-L334 WeakPolarHBondContact O-CB 3.25Å; E330-L334 PolarHBondContact O-N 2.84Å; K331-L334 WeakPolarHBondContact O-CB 3.21Å; K331-L334 PolarHBondContact O-N 3.49Å; C332-L334 VanDerWaalsContact C-N 3.29Å; C332-L334 PolarHBondContact O-N 3.31Å; L334-N337 PolarHBondContact O-N 3.27Å; L334-F338 WeakPolarHBondContact O-CB 3.48Å; L334-F338 PolarHBondContact O-N 3.08Å; L334-V361 HydrophobicContact CD2-CG2 4.3Å; L334-I364 HydrophobicContact CD1-CD1 3.69Å; L334-I364 HydrophobicContact CD2-CD1 3.57Å; L334-I364 HydrophobicContact CG-CD1 4.31Å
335	E	89.5	Confident	89.7	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-39.1	174.7	-70.8	-177.5	169.3	0	0	112	K331 C332 F338 N339 V361 N365	K331-E335 PolarHBondContact O-N 3.46Å; C332-E335 PolarHBondContact O-N 2.87Å; E335-F338 PolarHBondContact O-N 3.2Å; E335-N339 WeakPolarHBondContact O-CB 3.13Å; E335-N339 VanDerWaalsContact O-CG 3.31Å; E335-N339 PolarHBondContact O-N 2.9Å; E335-N339 PolarHBondContact O-ND2 3.2Å; E335-V361 HydrophobicContact CG-CG1 3.84Å; E335-N365 PolarHBondContact OE1-ND2 3.48Å; E335-N365 PolarHBondContact OE1-OD1 3.21Å
336	I	87.8	Confident	89.2	Confident	77 Å²	77	60.4 Å²	60.4	40%	0.395	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-47.3	174.3	-68.2	167	0	0	0	110.8	C332 Q333 F338 N339 T340	C332-I336 WeakPolarHBondContact O-CG1 3.37Å; C332-I336 PolarHBondContact O-N 3.07Å; Q333-I336 PolarHBondContact O-N 3.23Å; I336-F338 VanDerWaalsContact C-N 3.33Å; I336-F338 PolarHBondContact O-N 3.21Å; I336-N339 PolarHBondContact O-N 3.07Å; I336-T340 VanDerWaalsContact O-CB 3.3Å; I336-T340 WeakPolarHBondContact O-CB 3.44Å; I336-T340 PolarHBondContact O-N 3.5Å; I336-T340 PolarHBondContact O-OG1 3.15Å
337	N	88.3	Confident	88.5	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-45.2	178.4	-72.7	-1.1	0	0	0	110.7	Q333 L334 T340 L341	Q333-N337 PolarHBondContact NE2-OD1 3.15Å; Q333-N337 WeakPolarHBondContact O-CB 3.49Å; Q333-N337 PolarHBondContact O-N 2.83Å; Q333-N337 PolarHBondContact O-OD1 3.39Å; L334-N337 PolarHBondContact O-N 3.27Å; N337-T340 PolarHBondContact O-N 3.32Å; N337-L341 VanDerWaalsContact O-CB 3.26Å; N337-L341 WeakPolarHBondContact O-CB 3.22Å; N337-L341 PolarHBondContact O-N 2.97Å
338	F	90.8	Very high	87.7	Confident	44 Å²	44	64.8 Å²	64.8	19%	0.193	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-51	176.5	-175.5	-102.5	0	0	0	112.4	Y279 L334 E335 I336 T340 L341 Q342 F353 P355 V361	Y279-F338 HydrophobicContact CD2-CB 3.95Å; Y279-F338 HydrophobicContact CD2-CD2 4.36Å; Y279-F338 HydrophobicContact CE2-CB 3.7Å; Y279-F338 AromaticContact CE2-CD2 3.9Å; Y279-F338 HydrophobicContact CE2-CD2 3.9Å; Y279-F338 HydrophobicContact CE2-CG 4.14Å; L334-F338 WeakPolarHBondContact O-CB 3.48Å; L334-F338 PolarHBondContact O-N 3.08Å; E335-F338 PolarHBondContact O-N 3.2Å; I336-F338 VanDerWaalsContact C-N 3.33Å; I336-F338 PolarHBondContact O-N 3.21Å; F338-T340 VanDerWaalsContact C-N 3.33Å; F338-T340 PolarHBondContact O-N 2.85Å; F338-L341 PolarHBondContact O-N 3.07Å; F338-Q342 VanDerWaalsContact O-CB 3.29Å; F338-Q342 WeakPolarHBondContact O-CB 3.39Å; F338-Q342 PolarHBondContact O-N 3.48Å; F338-F353 HydrophobicContact CD2-CD1 4.23Å; F338-F353 HydrophobicContact CE2-CD1 4.23Å; F338-P355 HydrophobicContact CD2-CG 4.39Å; F338-P355 HydrophobicContact CE2-CG 4.04Å; F338-V361 HydrophobicContact CB-CG2 4.15Å; F338-V361 HydrophobicContact CD1-CG2 3.89Å; F338-V361 HydrophobicContact CD2-CG2 4.2Å; F338-V361 HydrophobicContact CE1-CG2 4.35Å; F338-V361 HydrophobicContact CG-CG2 3.8Å
339	N	88.4	Confident	86.9	Confident	96 Å²	96	68.9 Å²	68.9	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-38	-178.9	-73.7	-30.3	0	0	0	112.8	E335 I336 T343	E335-N339 WeakPolarHBondContact O-CB 3.13Å; E335-N339 VanDerWaalsContact O-CG 3.31Å; E335-N339 PolarHBondContact O-N 2.9Å; E335-N339 PolarHBondContact O-ND2 3.2Å; I336-N339 PolarHBondContact O-N 3.07Å; N339-T343 WeakPolarHBondContact O-CB 3.41Å; N339-T343 PolarHBondContact O-N 3.47Å; N339-T343 PolarHBondContact O-OG1 3.3Å
340	T	88.2	Confident	86.3	Confident	62 Å²	62	65.4 Å²	65.4	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-49.3	177.5	-57.5	0	0	0	0	110.4	I336 N337 F338 T343 K344	I336-T340 VanDerWaalsContact O-CB 3.3Å; I336-T340 WeakPolarHBondContact O-CB 3.44Å; I336-T340 PolarHBondContact O-N 3.5Å; I336-T340 PolarHBondContact O-OG1 3.15Å; N337-T340 PolarHBondContact O-N 3.32Å; F338-T340 VanDerWaalsContact C-N 3.33Å; F338-T340 PolarHBondContact O-N 2.85Å; T340-T343 PolarHBondContact O-N 2.94Å; T340-K344 PolarHBondContact O-N 2.88Å
341	L	88.3	Confident	85.5	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-44.9	178.2	178.9	62.6	0	0	0	111.5	N272 L275 M276 N337 F338 T343 K344 L345 F353	N272-L341 HydrophobicContact CB-CD1 4.19Å; L275-L341 HydrophobicContact CB-CD1 4.07Å; M276-L341 HydrophobicContact CB-CD2 4.37Å; M276-L341 HydrophobicContact CG-CD1 4.29Å; M276-L341 HydrophobicContact CG-CD2 3.45Å; M276-L341 VanDerWaalsContact CG-CD2 3.45Å; M276-L341 HydrophobicContact CG-CG 4.45Å; N337-L341 VanDerWaalsContact O-CB 3.26Å; N337-L341 WeakPolarHBondContact O-CB 3.22Å; N337-L341 PolarHBondContact O-N 2.97Å; F338-L341 PolarHBondContact O-N 3.07Å; L341-T343 VanDerWaalsContact C-N 3.28Å; L341-T343 PolarHBondContact O-N 3.21Å; L341-K344 PolarHBondContact O-N 3.43Å; L341-L345 HydrophobicContact CD1-CD1 4.05Å; L341-L345 HydrophobicContact CD1-CG 4.17Å; L341-L345 HydrophobicContact CG-CD1 4.01Å; L341-L345 WeakPolarHBondContact O-CG 2.94Å; L341-L345 PolarHBondContact O-N 3.06Å; L341-F353 HydrophobicContact CD2-CB 3.83Å; L341-F353 HydrophobicContact CD2-CD1 3.49Å; L341-F353 VanDerWaalsContact CD2-CD1 3.49Å; L341-F353 HydrophobicContact CD2-CD2 4.4Å; L341-F353 HydrophobicContact CD2-CE1 4.09Å; L341-F353 HydrophobicContact CD2-CG 3.66Å; L341-F353 HydrophobicContact CG-CB 4.27Å
342	Q	87.5	Confident	85	Confident	57 Å²	57	69.9 Å²	69.9	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-40	178	-161.3	71.6	-8.8	0	0	111.9	F338 R346 A352	F338-Q342 VanDerWaalsContact O-CB 3.29Å; F338-Q342 WeakPolarHBondContact O-CB 3.39Å; F338-Q342 PolarHBondContact O-N 3.48Å; Q342-R346 WeakPolarHBondContact O-CB 3.4Å; Q342-R346 PolarHBondContact O-N 3.41Å; Q342-R346 VanDerWaalsContact O-N 3.12Å; Q342-A352 VanDerWaalsContact NE2-CB 3.25Å
343	T	84.5	Confident	84.6	Confident	57 Å²	57	68 Å²	68	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-69.8	-44.1	176.5	-59.4	0	0	0	0	111.7	N339 T340 L341 L345 R346 L347	N339-T343 WeakPolarHBondContact O-CB 3.41Å; N339-T343 PolarHBondContact O-N 3.47Å; N339-T343 PolarHBondContact O-OG1 3.3Å; T340-T343 PolarHBondContact O-N 2.94Å; L341-T343 VanDerWaalsContact C-N 3.28Å; L341-T343 PolarHBondContact O-N 3.21Å; T343-L345 VanDerWaalsContact C-N 3.35Å; T343-L345 PolarHBondContact O-N 3.05Å; T343-R346 PolarHBondContact O-N 3.22Å; T343-L347 HydrophobicContact CG2-CD1 4.07Å; T343-L347 HydrophobicContact CG2-CG 4.43Å; T343-L347 WeakPolarHBondContact O-CG 3.26Å; T343-L347 PolarHBondContact O-N 3.13Å
344	K	84	Confident	84.4	Confident	73 Å²	73	71.8 Å²	71.8	32%	0.317	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-43.9	176.4	-84.2	-166.3	171.6	-169.2	0	111.9	E271 L275 T340 L341 S348	E271-K344 IonicContact OE2-NZ 2.67Å; E271-K344 PolarHBondContact OE2-NZ 3.3Å; L275-K344 HydrophobicContact CD1-CD 4.09Å; T340-K344 PolarHBondContact O-N 2.88Å; L341-K344 PolarHBondContact O-N 3.43Å; K344-S348 WeakPolarHBondContact O-CB 3.47Å; K344-S348 PolarHBondContact O-N 3.09Å; K344-S348 PolarHBondContact O-OG 3.35Å
345	L	84.6	Confident	84.1	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-42	178.8	-68.1	171.6	0	0	0	111.9	N272 L341 T343 S348 N349 R350 F353	N272-L345 HydrophobicContact CB-CD2 4.45Å; L341-L345 HydrophobicContact CD1-CD1 4.05Å; L341-L345 HydrophobicContact CD1-CG 4.17Å; L341-L345 HydrophobicContact CG-CD1 4.01Å; L341-L345 WeakPolarHBondContact O-CG 2.94Å; L341-L345 PolarHBondContact O-N 3.06Å; T343-L345 VanDerWaalsContact C-N 3.35Å; T343-L345 PolarHBondContact O-N 3.05Å; L345-S348 CarbonylContact O-C 3.3Å; L345-S348 PolarHBondContact O-N 3.45Å; L345-N349 PolarHBondContact O-N 2.97Å; L345-R350 HydrophobicContact CB-CB 4.49Å; L345-R350 HydrophobicContact CD2-CB 4.04Å; L345-R350 PolarHBondContact O-N 3.22Å; L345-F353 HydrophobicContact CD1-CB 3.66Å
346	R	84.5	Confident	83.9	Confident	164 Å²	164	72.4 Å²	72.4	62%	0.619	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-48.7	176.7	-176.2	178.1	65.5	-146.1	-3.7	112.6	Q342 T343 S348 N349	Q342-R346 WeakPolarHBondContact O-CB 3.4Å; Q342-R346 PolarHBondContact O-N 3.41Å; Q342-R346 VanDerWaalsContact O-N 3.12Å; T343-R346 PolarHBondContact O-N 3.22Å; R346-S348 PolarHBondContact O-N 3.33Å; R346-N349 PolarHBondContact O-N 3.04Å; R346-N349 VanDerWaalsContact O-N 3.08Å
347	L	78.4	Confident	83.3	Confident	136 Å²	136	78.2 Å²	78.2	71%	0.712	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-27.3	178.8	-71.5	173.7	0	0	0	112.4	T343 N349	T343-L347 HydrophobicContact CG2-CD1 4.07Å; T343-L347 HydrophobicContact CG2-CG 4.43Å; T343-L347 WeakPolarHBondContact O-CG 3.26Å; T343-L347 PolarHBondContact O-N 3.13Å; L347-N349 VanDerWaalsContact C-N 3.35Å
348	S	77	Confident	83	Confident	53 Å²	53	79 Å²	79	37%	0.371	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	5.8	178.5	-52.9	0	0	0	0	113.7	K344 L345 R346 R350	K344-S348 WeakPolarHBondContact O-CB 3.47Å; K344-S348 PolarHBondContact O-N 3.09Å; K344-S348 PolarHBondContact O-OG 3.35Å; L345-S348 CarbonylContact O-C 3.3Å; L345-S348 PolarHBondContact O-N 3.45Å; R346-S348 PolarHBondContact O-N 3.33Å; S348-R350 PolarHBondContact O-N 3.09Å
349	N	76.8	Confident	82.9	Confident	156 Å²	156	81.1 Å²	81.1	83%	0.834	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.5	-173	-66.4	-47.9	0	0	0	113.7	L345 R346 L347	L345-N349 PolarHBondContact O-N 2.97Å; R346-N349 PolarHBondContact O-N 3.04Å; R346-N349 VanDerWaalsContact O-N 3.08Å; L347-N349 VanDerWaalsContact C-N 3.35Å
350	R	77.8	Confident	82.9	Confident	69 Å²	69	80.4 Å²	80.4	26%	0.26	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-102.1	156.2	176.7	-66.2	-172.8	-179.2	-170.6	1.4	111.1	N269 L345 S348	N269-R350 VanDerWaalsContact CG-NH1 3.33Å; N269-R350 PolarHBondContact OD1-NH1 2.77Å; L345-R350 HydrophobicContact CB-CB 4.49Å; L345-R350 HydrophobicContact CD2-CB 4.04Å; L345-R350 PolarHBondContact O-N 3.22Å; S348-R350 PolarHBondContact O-N 3.09Å
351	P	75.4	Confident	83	Confident	113 Å²	113	78.8 Å²	78.8	73%	0.734	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-55.2	146.1	175	-24.6	34.5	0	0	0	112.2
352	A	80.6	Confident	83	Confident	65 Å²	65	81.7 Å²	81.7	54%	0.537	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.6	174.9	0	0	0	0	0	111.4	Q342	Q342-A352 VanDerWaalsContact NE2-CB 3.25Å
353	F	84.3	Confident	83.1	Confident	27 Å²	27	81 Å²	81	12%	0.118	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-73.4	129.6	171.3	172.7	-118.1	0	0	0	109.3	M276 Y279 E280 F338 L341 L345 P355	M276-F353 HydrophobicContact CB-CD2 4.3Å; M276-F353 HydrophobicContact CB-CE2 3.89Å; M276-F353 HydrophobicContact CB-CZ 4.22Å; M276-F353 HydrophobicContact CG-CD2 3.5Å; M276-F353 VanDerWaalsContact CG-CD2 3.5Å; M276-F353 HydrophobicContact CG-CE2 3.62Å; M276-F353 HydrophobicContact CG-CG 3.99Å; M276-F353 HydrophobicContact CG-CZ 4.19Å; M276-F353 HydrophobicContact SD-CD2 3.42Å; M276-F353 WeakPolarHBondContact SD-CD2 3.47Å; M276-F353 HydrophobicContact SD-CE2 3.86Å; M276-F353 HydrophobicContact SD-CG 4.22Å; Y279-F353 AromaticContact CD1-CE1 3.7Å; Y279-F353 HydrophobicContact CD1-CE1 3.7Å; Y279-F353 HydrophobicContact CD1-CZ 4.09Å; Y279-F353 HydrophobicContact CE1-CE1 4.25Å; Y279-F353 HydrophobicContact CG-CE1 4.02Å; E280-F353 HydrophobicContact CG-CZ 4.38Å; F338-F353 HydrophobicContact CD2-CD1 4.23Å; F338-F353 HydrophobicContact CE2-CD1 4.23Å; L341-F353 HydrophobicContact CD2-CB 3.83Å; L341-F353 HydrophobicContact CD2-CD1 3.49Å; L341-F353 VanDerWaalsContact CD2-CD1 3.49Å; L341-F353 HydrophobicContact CD2-CD2 4.4Å; L341-F353 HydrophobicContact CD2-CE1 4.09Å; L341-F353 HydrophobicContact CD2-CG 3.66Å; L341-F353 HydrophobicContact CG-CB 4.27Å; L345-F353 HydrophobicContact CD1-CB 3.66Å; F353-P355 HydrophobicContact CD1-CG 4.25Å; F353-P355 HydrophobicContact CE1-CB 4.35Å; F353-P355 HydrophobicContact CE1-CG 3.73Å; F353-P355 HydrophobicContact CZ-CB 4.4Å; F353-P355 HydrophobicContact CZ-CG 4.24Å
354	M	83.6	Confident	83.5	Confident	163 Å²	163	78.4 Å²	78.4	80%	0.803	42%	0.418	S	S	*	.			trans	-120.2	113	173.2	-161	163.2	93.3	0	0	107.9
355	P	86	Confident	83.9	Confident	12 Å²	12	77.6 Å²	77.6	8%	0.078	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-60.2	162.2	177.7	-23.7	33.2	0	0	0	112.8	Y279 F338 F353 R359	Y279-P355 HydrophobicContact CD1-CB 4.37Å; Y279-P355 HydrophobicContact CD1-CG 4.21Å; Y279-P355 HydrophobicContact CE1-CB 3.62Å; Y279-P355 HydrophobicContact CE1-CG 3.44Å; Y279-P355 VanDerWaalsContact CE1-CG 3.44Å; F338-P355 HydrophobicContact CD2-CG 4.39Å; F338-P355 HydrophobicContact CE2-CG 4.04Å; F353-P355 HydrophobicContact CD1-CG 4.25Å; F353-P355 HydrophobicContact CE1-CB 4.35Å; F353-P355 HydrophobicContact CE1-CG 3.73Å; F353-P355 HydrophobicContact CZ-CB 4.4Å; F353-P355 HydrophobicContact CZ-CG 4.24Å; P355-R359 HydrophobicContact CB-CB 4.43Å
356	S	84.4	Confident	84.3	Confident	62 Å²	62	82 Å²	82	43%	0.434	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-57.5	151.7	173.1	-52	0	0	0	0	111.9	E280 G358 R359	E280-S356 VanDerWaalsContact OE1-CB 3.26Å; E280-S356 WeakPolarHBondContact OE1-CB 3.44Å; E280-S356 PolarHBondContact OE1-N 2.94Å; E280-S356 PolarHBondContact OE1-OG 3.49Å; S356-G358 PolarHBondContact O-N 2.98Å; S356-R359 WeakPolarHBondContact O-CB 3.39Å; S356-R359 PolarHBondContact O-N 2.81Å
357	E	76.4	Confident	84.7	Confident	198 Å²	198	75.5 Å²	75.5	93%	0.925	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131.2	-178.5	-165.1	177.1	-177.7	0	0	111.7	R359	E357-R359 VanDerWaalsContact C-N 3.32Å; E357-R359 PolarHBondContact O-N 3.25Å
358	G	81.6	Confident	85.5	Confident	38 Å²	38	69.4 Å²	69.4	39%	0.392	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	2.3	-176.2	0	0	0	0	0	115.5	L287 S356 D363	L287-G358 WeakPolarHBondContact CD1-O 3.35Å; S356-G358 PolarHBondContact O-N 2.98Å; G358-D363 VanDerWaalsContact CA-OD2 3.3Å; G358-D363 WeakPolarHBondContact CA-OD2 3.48Å
359	R	88.7	Confident	86.2	Confident	88 Å²	88	68.4 Å²	68.4	33%	0.332	39%	0.388	S	S	.	.			trans	-115.8	19.1	175.9	-57.4	-179.5	-175.9	-175	-5.7	112.5	Y279 E280 A283 S284 L287 P355 S356 E357	Y279-R359 PolarHBondContact OH-O 2.94Å; E280-R359 WeakPolarHBondContact OE2-CD 3.49Å; E280-R359 IonicContact OE2-CZ 3.43Å; E280-R359 IonicContact OE2-NE 2.78Å; E280-R359 IonicContact OE2-NH1 3.22Å; E280-R359 PolarHBondContact OE2-NH1 3.21Å; A283-R359 HydrophobicContact CB-CB 4.25Å; S284-R359 PolarHBondContact OG-NH1 2.9Å; S284-R359 PolarHBondContact OG-NH2 3.02Å; S284-R359 VanDerWaalsContact OG-NH2 3.13Å; L287-R359 HydrophobicContact CD1-CG 4.09Å; P355-R359 HydrophobicContact CB-CB 4.43Å; S356-R359 WeakPolarHBondContact O-CB 3.39Å; S356-R359 PolarHBondContact O-N 2.81Å; E357-R359 VanDerWaalsContact C-N 3.32Å; E357-R359 PolarHBondContact O-N 3.25Å
360	M	88.6	Confident	87.1	Confident	81 Å²	81	64.1 Å²	64.1	40%	0.399	37%	0.369	S	S	.	.	S	Bend	trans	-69.1	150.9	174.4	-61.6	-175.6	-73.3	0	0	109.9	S362 D363 I364	M360-S362 PolarHBondContact O-N 3.06Å; M360-S362 VanDerWaalsContact O-N 3.15Å; M360-D363 WeakPolarHBondContact CB-OD2 3.21Å; M360-D363 VanDerWaalsContact CE-OD2 3.25Å; M360-D363 WeakPolarHBondContact CE-OD2 3.34Å; M360-D363 PolarHBondContact N-OD2 3.27Å; M360-D363 WeakPolarHBondContact O-CB 3.35Å; M360-D363 PolarHBondContact O-N 3.33Å; M360-I364 PolarHBondContact O-N 2.9Å; M360-I364 VanDerWaalsContact O-N 3.07Å
361	V	89.5	Confident	87.9	Confident	28 Å²	28	60.8 Å²	60.8	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-55.6	-32.5	175.4	176.8	0	0	0	0	111.6	Y279 L334 E335 F338 N365	Y279-V361 HydrophobicContact CE2-CG2 4.1Å; Y279-V361 WeakPolarHBondContact OH-CG2 3.39Å; Y279-V361 PolarHBondContact OH-N 3.31Å; L334-V361 HydrophobicContact CD2-CG2 4.3Å; E335-V361 HydrophobicContact CG-CG1 3.84Å; F338-V361 HydrophobicContact CB-CG2 4.15Å; F338-V361 HydrophobicContact CD1-CG2 3.89Å; F338-V361 HydrophobicContact CD2-CG2 4.2Å; F338-V361 HydrophobicContact CE1-CG2 4.35Å; F338-V361 HydrophobicContact CG-CG2 3.8Å; V361-N365 WeakPolarHBondContact O-CB 3.24Å; V361-N365 PolarHBondContact O-N 2.81Å; V361-N365 PolarHBondContact O-ND2 3.32Å
362	S	89	Confident	88.7	Confident	62 Å²	62	60 Å²	60	43%	0.434	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-42.7	173.2	53.8	0	0	0	0	112.9	M360 N365 N366	M360-S362 PolarHBondContact O-N 3.06Å; M360-S362 VanDerWaalsContact O-N 3.15Å; S362-N365 PolarHBondContact O-N 3Å; S362-N366 VanDerWaalsContact O-CG 3.23Å; S362-N366 PolarHBondContact O-N 3.48Å; S362-N366 PolarHBondContact O-ND2 3.29Å
363	D	90.2	Very high	89.3	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-68.9	-40.3	-178	-56.6	-30.5	0	0	0	110.6	G358 M360 N365 N366 A367	G358-D363 VanDerWaalsContact CA-OD2 3.3Å; G358-D363 WeakPolarHBondContact CA-OD2 3.48Å; M360-D363 WeakPolarHBondContact CB-OD2 3.21Å; M360-D363 VanDerWaalsContact CE-OD2 3.25Å; M360-D363 WeakPolarHBondContact CE-OD2 3.34Å; M360-D363 PolarHBondContact N-OD2 3.27Å; M360-D363 WeakPolarHBondContact O-CB 3.35Å; M360-D363 PolarHBondContact O-N 3.33Å; D363-N365 VanDerWaalsContact C-N 3.33Å; D363-N365 PolarHBondContact O-N 2.97Å; D363-N366 PolarHBondContact O-N 2.95Å; D363-A367 WeakPolarHBondContact O-CB 3.33Å; D363-A367 PolarHBondContact O-N 3.18Å
364	I	92.5	Very high	89.8	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-42.2	174.6	-62.8	167	0	0	0	110.3	A283 L286 L287 K331 L334 M360 A367 W368	A283-I364 HydrophobicContact CB-CD1 4.03Å; L286-I364 HydrophobicContact CD2-CG2 3.87Å; L287-I364 HydrophobicContact CD1-CG1 4.14Å; L287-I364 HydrophobicContact CD2-CG1 4.01Å; L287-I364 HydrophobicContact CG-CG1 4.1Å; K331-I364 HydrophobicContact CG-CG2 4.5Å; L334-I364 HydrophobicContact CD1-CD1 3.69Å; L334-I364 HydrophobicContact CD2-CD1 3.57Å; L334-I364 HydrophobicContact CG-CD1 4.31Å; M360-I364 PolarHBondContact O-N 2.9Å; M360-I364 VanDerWaalsContact O-N 3.07Å; I364-A367 PolarHBondContact O-N 2.89Å; I364-W368 WeakPolarHBondContact O-CB 3.5Å; I364-W368 PolarHBondContact O-N 3.41Å
365	N	92.4	Very high	90.3	Very high	56 Å²	56	56.2 Å²	56.2	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176	-86.4	-52.4	0	0	0	112.5	K331 E335 V361 S362 D363 W368 G369	K331-N365 WeakPolarHBondContact CE-OD1 3.18Å; K331-N365 PolarHBondContact NZ-OD1 3.4Å; E335-N365 PolarHBondContact OE1-ND2 3.48Å; E335-N365 PolarHBondContact OE1-OD1 3.21Å; V361-N365 WeakPolarHBondContact O-CB 3.24Å; V361-N365 PolarHBondContact O-N 2.81Å; V361-N365 PolarHBondContact O-ND2 3.32Å; S362-N365 PolarHBondContact O-N 3Å; D363-N365 VanDerWaalsContact C-N 3.33Å; D363-N365 PolarHBondContact O-N 2.97Å; N365-W368 PolarHBondContact O-N 2.88Å; N365-G369 PolarHBondContact O-N 3.27Å
366	N	92.3	Very high	90.5	Very high	107 Å²	107	61.9 Å²	61.9	57%	0.572	34%	0.337	S	S	*	.	H	α-helix	trans	-64.6	-47.5	174.9	-68.9	-25.2	0	0	0	111.7	S362 D363 W368 G369 C370	S362-N366 VanDerWaalsContact O-CG 3.23Å; S362-N366 PolarHBondContact O-N 3.48Å; S362-N366 PolarHBondContact O-ND2 3.29Å; D363-N366 PolarHBondContact O-N 2.95Å; N366-W368 VanDerWaalsContact C-N 3.3Å; N366-W368 PolarHBondContact O-N 3.36Å; N366-G369 PolarHBondContact O-N 3.04Å; N366-G369 VanDerWaalsContact O-N 3.16Å; N366-C370 PolarHBondContact O-N 3.5Å; N366-C370 PolarHBondContact O-SG 3.47Å
367	A	93.1	Very high	90.9	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-40.1	177.5	0	0	0	0	0	111.9	L287 I290 D363 I364 C370 L371	L287-A367 HydrophobicContact CD2-CB 3.98Å; I290-A367 HydrophobicContact CD1-CB 4.21Å; I290-A367 HydrophobicContact CG2-CB 4.26Å; D363-A367 WeakPolarHBondContact O-CB 3.33Å; D363-A367 PolarHBondContact O-N 3.18Å; I364-A367 PolarHBondContact O-N 2.89Å; A367-C370 PolarHBondContact O-N 3.36Å; A367-L371 PolarHBondContact O-N 3.15Å; A367-L371 VanDerWaalsContact O-N 3.09Å
368	W	95.3	Very high	91.7	Very high	8 Å²	8	50.3 Å²	50.3	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-41.1	174.3	-169.8	-86.7	0	0	0	112.1	L286 W289 I290 K324 K327 V328 K331 I364 N365 N366 L371 E372	L286-W368 HydrophobicContact CD1-CZ3 4.15Å; W289-W368 HydrophobicContact CZ3-CH2 4.35Å; W289-W368 AromaticContact CZ3-CZ3 3.95Å; W289-W368 HydrophobicContact CZ3-CZ3 3.95Å; I290-W368 HydrophobicContact CD1-CE3 3.96Å; I290-W368 HydrophobicContact CG1-CE3 4.33Å; K324-W368 HydrophobicContact CG-CH2 4.49Å; K327-W368 HydrophobicContact CB-CH2 4.2Å; K327-W368 HydrophobicContact CB-CZ3 4.24Å; V328-W368 HydrophobicContact CG2-CH2 3.87Å; V328-W368 HydrophobicContact CG2-CZ2 3.6Å; K331-W368 HydrophobicContact CD-CB 4.42Å; K331-W368 HydrophobicContact CD-CD2 3.83Å; K331-W368 HydrophobicContact CD-CE3 4.25Å; K331-W368 HydrophobicContact CD-CG 3.86Å; I364-W368 WeakPolarHBondContact O-CB 3.5Å; I364-W368 PolarHBondContact O-N 3.41Å; N365-W368 PolarHBondContact O-N 2.88Å; N366-W368 VanDerWaalsContact C-N 3.3Å; N366-W368 PolarHBondContact O-N 3.36Å; W368-L371 HydrophobicContact CE3-CD2 4.34Å; W368-L371 HydrophobicContact CZ3-CD2 4.25Å; W368-L371 WeakPolarHBondContact O-CB 3.04Å; W368-L371 PolarHBondContact O-N 3.33Å; W368-E372 PolarHBondContact NE1-OE1 3.43Å; W368-E372 PolarHBondContact O-N 3.06Å
369	G	93	Very high	92.1	Very high	33 Å²	33	51.5 Å²	51.5	34%	0.34	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-41.7	174.5	0	0	0	0	0	112.9	N365 N366 L371 E372 Q373	N365-G369 PolarHBondContact O-N 3.27Å; N366-G369 PolarHBondContact O-N 3.04Å; N366-G369 VanDerWaalsContact O-N 3.16Å; G369-L371 PolarHBondContact O-N 2.97Å; G369-E372 PolarHBondContact O-N 2.9Å; G369-Q373 PolarHBondContact O-N 3Å
370	C	94.2	Very high	92.2	Very high	65 Å²	65	52.2 Å²	52.2	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-60.7	-43.7	173	-68.7	0	0	0	0	111.9	N366 A367 E372 Q373 V374	N366-C370 PolarHBondContact O-N 3.5Å; N366-C370 PolarHBondContact O-SG 3.47Å; A367-C370 PolarHBondContact O-N 3.36Å; C370-E372 PolarHBondContact O-N 3.24Å; C370-Q373 PolarHBondContact O-N 2.92Å; C370-V374 WeakPolarHBondContact O-CG2 3.39Å; C370-V374 PolarHBondContact O-N 3.47Å
371	L	94.6	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-46.4	175.9	179	70.3	0	0	0	111.7	W289 I290 T293 I294 L297 A367 W368 G369 Q373 V374 E375	W289-L371 HydrophobicContact CH2-CD2 4.03Å; W289-L371 HydrophobicContact CZ3-CD2 3.53Å; I290-L371 HydrophobicContact CG1-CD2 4.31Å; I290-L371 HydrophobicContact CG2-CB 4.24Å; T293-L371 HydrophobicContact CG2-CD1 3.94Å; I294-L371 HydrophobicContact CG1-CB 4.47Å; I294-L371 HydrophobicContact CG1-CD1 3.95Å; L297-L371 HydrophobicContact CD1-CD1 3.67Å; A367-L371 PolarHBondContact O-N 3.15Å; A367-L371 VanDerWaalsContact O-N 3.09Å; W368-L371 HydrophobicContact CE3-CD2 4.34Å; W368-L371 HydrophobicContact CZ3-CD2 4.25Å; W368-L371 WeakPolarHBondContact O-CB 3.04Å; W368-L371 PolarHBondContact O-N 3.33Å; G369-L371 PolarHBondContact O-N 2.97Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.28Å; L371-V374 PolarHBondContact O-N 3.36Å; L371-E375 WeakPolarHBondContact O-CB 3.43Å; L371-E375 PolarHBondContact O-N 3.16Å
372	E	93.6	Very high	92.7	Very high	96 Å²	96	48.7 Å²	48.7	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-36.6	178.5	-72.6	-178.5	164.1	0	0	112.6	W368 G369 C370 E375 K376	W368-E372 PolarHBondContact NE1-OE1 3.43Å; W368-E372 PolarHBondContact O-N 3.06Å; G369-E372 PolarHBondContact O-N 2.9Å; C370-E372 PolarHBondContact O-N 3.24Å; E372-E375 PolarHBondContact O-N 2.99Å; E372-K376 PolarHBondContact O-N 2.91Å
373	Q	92.9	Very high	92.7	Very high	147 Å²	147	49 Å²	49	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-66.1	-45	176.6	-173.7	176.1	7.4	0	0	112.1	G369 C370 L371 K376 G377	G369-Q373 PolarHBondContact O-N 3Å; C370-Q373 PolarHBondContact O-N 2.92Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.28Å; Q373-K376 PolarHBondContact O-N 3.19Å; Q373-G377 PolarHBondContact O-N 3.26Å; Q373-G377 VanDerWaalsContact O-N 3.16Å
374	V	94.6	Very high	92.7	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.127	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-41.4	177.1	179.5	0	0	0	0	110.4	I294 L297 E298 C370 L371 K376 G377 Y378	I294-V374 HydrophobicContact CG2-CG2 4.4Å; L297-V374 HydrophobicContact CB-CB 4.48Å; L297-V374 HydrophobicContact CB-CG1 3.47Å; L297-V374 VanDerWaalsContact CB-CG1 3.47Å; E298-V374 HydrophobicContact CB-CG1 4.43Å; E298-V374 HydrophobicContact CG-CG1 3.49Å; E298-V374 VanDerWaalsContact CG-CG1 3.49Å; E298-V374 HydrophobicContact CG-CG2 4.16Å; C370-V374 WeakPolarHBondContact O-CG2 3.39Å; C370-V374 PolarHBondContact O-N 3.47Å; L371-V374 PolarHBondContact O-N 3.36Å; V374-K376 VanDerWaalsContact C-N 3.34Å; V374-K376 PolarHBondContact O-N 2.89Å; V374-G377 PolarHBondContact O-N 2.62Å; V374-G377 VanDerWaalsContact O-N 3.15Å; V374-Y378 PolarHBondContact O-N 3.48Å
375	E	92.9	Very high	92.7	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-46	176.7	-176.4	173.8	141.5	0	0	112	L297 F316 Y319 R320 K324 L371 E372 G377 Y378 E379	L297-E375 HydrophobicContact CD1-CB 4.14Å; F316-E375 HydrophobicContact CE2-CG 3.9Å; F316-E375 HydrophobicContact CZ-CG 3.76Å; Y319-E375 HydrophobicContact CE1-CG 4.37Å; Y319-E375 PolarHBondContact OH-OE2 2.97Å; Y319-E375 VanDerWaalsContact OH-OE2 3.09Å; R320-E375 WeakPolarHBondContact CD-OE1 3.32Å; R320-E375 IonicContact NH1-OE1 3.89Å; K324-E375 WeakPolarHBondContact CD-OE2 3.42Å; K324-E375 WeakPolarHBondContact CE-OE2 3.45Å; K324-E375 IonicContact NZ-OE1 2.72Å; K324-E375 PolarHBondContact NZ-OE1 2.86Å; K324-E375 IonicContact NZ-OE2 3.62Å; K324-E375 PolarHBondContact NZ-OE2 2.86Å; L371-E375 WeakPolarHBondContact O-CB 3.43Å; L371-E375 PolarHBondContact O-N 3.16Å; E372-E375 PolarHBondContact O-N 2.99Å; E375-G377 PolarHBondContact O-N 3.29Å; E375-Y378 PolarHBondContact O-N 3.5Å; E375-E379 PolarHBondContact O-N 3.05Å
376	K	91.1	Very high	92.6	Very high	130 Å²	130	50.5 Å²	50.5	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-60.6	-45.3	175.8	-175.1	-179.2	175.9	-175.3	0	111.6	E372 Q373 V374 Y378 E379 E380	E372-K376 PolarHBondContact O-N 2.91Å; Q373-K376 PolarHBondContact O-N 3.19Å; V374-K376 VanDerWaalsContact C-N 3.34Å; V374-K376 PolarHBondContact O-N 2.89Å; K376-Y378 VanDerWaalsContact C-N 3.31Å; K376-Y378 PolarHBondContact O-N 2.58Å; K376-E379 PolarHBondContact O-N 3.27Å; K376-E380 WeakPolarHBondContact CE-OE1 3.1Å; K376-E380 WeakPolarHBondContact O-CG 3.45Å; K376-E380 PolarHBondContact O-N 2.66Å; K376-E380 VanDerWaalsContact O-N 3.07Å
377	G	91.8	Very high	92.4	Very high	13 Å²	13	52.1 Å²	52.1	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-34	178.5	0	0	0	0	0	113.4	Q373 V374 E375 W381	Q373-G377 PolarHBondContact O-N 3.26Å; Q373-G377 VanDerWaalsContact O-N 3.16Å; V374-G377 PolarHBondContact O-N 2.62Å; V374-G377 VanDerWaalsContact O-N 3.15Å; E375-G377 PolarHBondContact O-N 3.29Å; G377-W381 VanDerWaalsContact O-CB 3.31Å; G377-W381 WeakPolarHBondContact O-CB 3.26Å; G377-W381 PolarHBondContact O-N 2.78Å; G377-W381 VanDerWaalsContact O-N 3.1Å
378	Y	94	Very high	92.4	Very high	4 Å²	4	54 Å²	54	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-71.7	-42.5	176.6	-171.2	-111.6	0	0	0	112	L297 N299 F316 V374 E375 K376 W381 L382	L297-Y378 HydrophobicContact CD2-CD1 3.74Å; L297-Y378 HydrophobicContact CD2-CE1 4.31Å; L297-Y378 HydrophobicContact CD2-CG 4.15Å; L297-Y378 WeakPolarHBondContact O-CB 3.43Å; L297-Y378 WeakPolarHBondContact O-CD2 3.43Å; N299-Y378 WeakPolarHBondContact O-CE2 3.34Å; F316-Y378 HydrophobicContact CB-CE1 4.23Å; F316-Y378 AromaticContact CD2-CD1 3.62Å; F316-Y378 HydrophobicContact CD2-CD1 3.62Å; F316-Y378 AromaticContact CD2-CE1 3.81Å; F316-Y378 HydrophobicContact CD2-CE1 3.81Å; F316-Y378 AromaticContact CE2-CD1 3.84Å; F316-Y378 HydrophobicContact CE2-CD1 3.84Å; F316-Y378 HydrophobicContact CE2-CE1 4.48Å; F316-Y378 HydrophobicContact CG-CD1 4.2Å; F316-Y378 HydrophobicContact CG-CE1 4.17Å; V374-Y378 PolarHBondContact O-N 3.48Å; E375-Y378 PolarHBondContact O-N 3.5Å; K376-Y378 VanDerWaalsContact C-N 3.31Å; K376-Y378 PolarHBondContact O-N 2.58Å; Y378-W381 AromaticContact CD2-CE3 3.76Å; Y378-W381 HydrophobicContact CD2-CE3 3.76Å; Y378-W381 HydrophobicContact CD2-CZ3 4.03Å; Y378-W381 AromaticContact CE2-CE3 3.66Å; Y378-W381 HydrophobicContact CE2-CE3 3.66Å; Y378-W381 AromaticContact CE2-CZ3 3.42Å; Y378-W381 HydrophobicContact CE2-CZ3 3.42Å; Y378-W381 VanDerWaalsContact CE2-CZ3 3.42Å; Y378-W381 PolarHBondContact O-N 3.11Å; Y378-L382 HydrophobicContact CD1-CD1 3.73Å; Y378-L382 HydrophobicContact CD1-CG 4.26Å; Y378-L382 HydrophobicContact CE1-CD1 3.38Å; Y378-L382 HydrophobicContact CE1-CD2 4.47Å; Y378-L382 HydrophobicContact CE1-CG 3.98Å; Y378-L382 HydrophobicContact CE2-CG 4.46Å; Y378-L382 WeakPolarHBondContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CG 3.5Å; Y378-L382 PolarHBondContact O-N 3.11Å
379	E	90.8	Very high	92.3	Very high	63 Å²	63	54 Å²	54	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-46.8	175.4	-174.5	170.8	-135.3	0	0	111.5	F316 R320 E375 K376 W381 L382 L383	F316-E379 HydrophobicContact CE1-CB 3.88Å; F316-E379 HydrophobicContact CE1-CG 4.01Å; F316-E379 HydrophobicContact CZ-CB 4.04Å; R320-E379 IonicContact CZ-OE1 2.76Å; R320-E379 IonicContact NH2-OE1 3.26Å; R320-E379 PolarHBondContact NH2-OE1 3.17Å; R320-E379 IonicContact NH2-OE2 3.93Å; E375-E379 PolarHBondContact O-N 3.05Å; K376-E379 PolarHBondContact O-N 3.27Å; E379-W381 PolarHBondContact O-N 2.91Å; E379-L382 PolarHBondContact O-N 3.16Å; E379-L383 HydrophobicContact CG-CD1 4.22Å; E379-L383 VanDerWaalsContact O-CG 3.29Å; E379-L383 WeakPolarHBondContact O-CG 3.14Å; E379-L383 PolarHBondContact O-N 2.9Å; E379-L383 VanDerWaalsContact O-N 3.08Å
380	E	90.9	Very high	92.2	Very high	103 Å²	103	57.5 Å²	57.5	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-43	176.6	-73.8	177	-173.2	0	0	112.2	K376 N384	K376-E380 WeakPolarHBondContact CE-OE1 3.1Å; K376-E380 WeakPolarHBondContact O-CG 3.45Å; K376-E380 PolarHBondContact O-N 2.66Å; K376-E380 VanDerWaalsContact O-N 3.07Å; E380-N384 WeakPolarHBondContact O-CB 3.44Å; E380-N384 VanDerWaalsContact O-CG 3.27Å; E380-N384 PolarHBondContact O-N 3.39Å; E380-N384 PolarHBondContact O-ND2 3.47Å
381	W	95.2	Very high	92.1	Very high	35 Å²	35	61.2 Å²	61.2	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-49.8	176.8	170.1	74.9	0	0	0	112	R300 V301 M309 G377 Y378 E379 L383 N384 E385	R300-W381 HydrophobicContact CB-CD2 3.96Å; R300-W381 HydrophobicContact CB-CE3 4.49Å; R300-W381 HydrophobicContact CB-CG 4.3Å; R300-W381 HydrophobicContact CB-CZ2 4.1Å; R300-W381 HydrophobicContact CG-CD2 3.98Å; R300-W381 HydrophobicContact CG-CE3 4.33Å; R300-W381 HydrophobicContact CG-CG 4.1Å; R300-W381 WeakPolarHBondContact O-CZ2 3.3Å; V301-W381 WeakPolarHBondContact O-CH2 3.3Å; M309-W381 HydrophobicContact CE-CH2 3.76Å; M309-W381 HydrophobicContact CE-CZ2 4.18Å; M309-W381 HydrophobicContact CE-CZ3 4.07Å; M309-W381 HydrophobicContact SD-CH2 4.44Å; G377-W381 VanDerWaalsContact O-CB 3.31Å; G377-W381 WeakPolarHBondContact O-CB 3.26Å; G377-W381 PolarHBondContact O-N 2.78Å; G377-W381 VanDerWaalsContact O-N 3.1Å; Y378-W381 AromaticContact CD2-CE3 3.76Å; Y378-W381 HydrophobicContact CD2-CE3 3.76Å; Y378-W381 HydrophobicContact CD2-CZ3 4.03Å; Y378-W381 AromaticContact CE2-CE3 3.66Å; Y378-W381 HydrophobicContact CE2-CE3 3.66Å; Y378-W381 AromaticContact CE2-CZ3 3.42Å; Y378-W381 HydrophobicContact CE2-CZ3 3.42Å; Y378-W381 VanDerWaalsContact CE2-CZ3 3.42Å; Y378-W381 PolarHBondContact O-N 3.11Å; E379-W381 PolarHBondContact O-N 2.91Å; W381-L383 VanDerWaalsContact C-N 3.32Å; W381-L383 PolarHBondContact O-N 3.1Å; W381-N384 PolarHBondContact O-N 2.92Å; W381-E385 WeakPolarHBondContact O-CB 3.49Å; W381-E385 PolarHBondContact O-N 3.48Å
382	L	91.8	Very high	92.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-47	177.6	-81	176	0	0	0	111.6	M309 K312 L313 F316 Y378 E379 E385 I386	M309-L382 HydrophobicContact CE-CD2 3.56Å; K312-L382 HydrophobicContact CB-CD2 4.02Å; L313-L382 HydrophobicContact CD1-CD1 4.29Å; F316-L382 HydrophobicContact CB-CD1 3.97Å; F316-L382 HydrophobicContact CD1-CD1 4.23Å; F316-L382 HydrophobicContact CG-CD1 4.08Å; Y378-L382 HydrophobicContact CD1-CD1 3.73Å; Y378-L382 HydrophobicContact CD1-CG 4.26Å; Y378-L382 HydrophobicContact CE1-CD1 3.38Å; Y378-L382 HydrophobicContact CE1-CD2 4.47Å; Y378-L382 HydrophobicContact CE1-CG 3.98Å; Y378-L382 HydrophobicContact CE2-CG 4.46Å; Y378-L382 WeakPolarHBondContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CG 3.5Å; Y378-L382 PolarHBondContact O-N 3.11Å; E379-L382 PolarHBondContact O-N 3.16Å; L382-E385 PolarHBondContact O-N 3.41Å; L382-I386 WeakPolarHBondContact O-CB 3.46Å; L382-I386 VanDerWaalsContact O-CG1 3.28Å; L382-I386 WeakPolarHBondContact O-CG1 3.42Å; L382-I386 PolarHBondContact O-N 3.35Å
383	L	89.3	Confident	92	Very high	69 Å²	69	60.2 Å²	60.2	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-68.3	-39.1	-178.2	-68.3	174.9	0	0	0	112.6	E379 W381 E385 R387	E379-L383 HydrophobicContact CG-CD1 4.22Å; E379-L383 VanDerWaalsContact O-CG 3.29Å; E379-L383 WeakPolarHBondContact O-CG 3.14Å; E379-L383 PolarHBondContact O-N 2.9Å; E379-L383 VanDerWaalsContact O-N 3.08Å; W381-L383 VanDerWaalsContact C-N 3.32Å; W381-L383 PolarHBondContact O-N 3.1Å; L383-E385 VanDerWaalsContact C-N 3.35Å; L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 3.21Å; L383-R387 VanDerWaalsContact O-N 3.13Å; L383-R387 PolarHBondContact O-NE 3.47Å
384	N	90.5	Very high	92	Very high	90 Å²	90	59 Å²	59	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-42.6	175.1	-75.9	-25.6	0	0	0	111.5	E380 W381 R387 R388	E380-N384 WeakPolarHBondContact O-CB 3.44Å; E380-N384 VanDerWaalsContact O-CG 3.27Å; E380-N384 PolarHBondContact O-N 3.39Å; E380-N384 PolarHBondContact O-ND2 3.47Å; W381-N384 PolarHBondContact O-N 2.92Å; N384-R387 PolarHBondContact O-N 2.95Å; N384-R387 PolarHBondContact OD1-NH2 3.25Å; N384-R388 PolarHBondContact O-N 3.48Å
385	E	91.4	Very high	92.1	Very high	23 Å²	23	58.5 Å²	58.5	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-40	-178.4	-165.6	59.5	-152.1	0	0	112	P302 M309 W381 L382 L383 R387 R388 L389	P302-E385 HydrophobicContact CB-CG 4.36Å; M309-E385 HydrophobicContact CE-CB 3.75Å; M309-E385 HydrophobicContact CE-CG 3.65Å; M309-E385 HydrophobicContact CG-CG 4.34Å; M309-E385 HydrophobicContact SD-CG 4.35Å; W381-E385 WeakPolarHBondContact O-CB 3.49Å; W381-E385 PolarHBondContact O-N 3.48Å; L382-E385 PolarHBondContact O-N 3.41Å; L383-E385 VanDerWaalsContact C-N 3.35Å; E385-R387 PolarHBondContact O-N 2.95Å; E385-R388 WeakPolarHBondContact O-CB 3.28Å; E385-R388 PolarHBondContact O-N 3.27Å; E385-R388 IonicContact OE1-CZ 2.63Å; E385-R388 IonicContact OE1-NE 3.04Å; E385-R388 PolarHBondContact OE1-NE 3.04Å; E385-R388 IonicContact OE1-NH2 2.72Å; E385-R388 PolarHBondContact OE1-NH2 3.43Å; E385-R388 IonicContact OE2-NE 3.16Å; E385-R388 PolarHBondContact OE2-NE 3.45Å; E385-L389 HydrophobicContact CG-CD1 4.46Å; E385-L389 WeakPolarHBondContact O-CG 3.42Å; E385-L389 PolarHBondContact O-N 2.63Å
386	I	90.4	Very high	92.2	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-44.6	172.9	-71.4	169.2	0	0	0	110.9	M306 M309 L313 L382 R388 L389 E390	M306-I386 HydrophobicContact CE-CG2 4.27Å; M309-I386 HydrophobicContact CB-CG1 3.84Å; L313-I386 HydrophobicContact CB-CD1 4.03Å; L313-I386 HydrophobicContact CD2-CD1 3.82Å; L313-I386 HydrophobicContact CG-CD1 4.4Å; L382-I386 WeakPolarHBondContact O-CB 3.46Å; L382-I386 VanDerWaalsContact O-CG1 3.28Å; L382-I386 WeakPolarHBondContact O-CG1 3.42Å; L382-I386 PolarHBondContact O-N 3.35Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.07Å; I386-L389 PolarHBondContact O-N 3.01Å; I386-E390 WeakPolarHBondContact O-CB 3.29Å; I386-E390 PolarHBondContact O-N 3.46Å
387	R	89.9	Confident	92.3	Very high	140 Å²	140	55.6 Å²	55.6	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-38.5	176.6	-75.7	-174.2	-72.4	-118.7	2.5	112.4	L383 N384 E385 R391	L383-R387 WeakPolarHBondContact O-CG 3.37Å; L383-R387 PolarHBondContact O-N 3.21Å; L383-R387 VanDerWaalsContact O-N 3.13Å; L383-R387 PolarHBondContact O-NE 3.47Å; N384-R387 PolarHBondContact O-N 2.95Å; N384-R387 PolarHBondContact OD1-NH2 3.25Å; E385-R387 PolarHBondContact O-N 2.95Å; R387-R391 WeakPolarHBondContact O-CB 3.42Å; R387-R391 PolarHBondContact O-N 3.23Å; R387-R391 VanDerWaalsContact O-N 3.08Å
388	R	93.1	Very high	92.5	Very high	65 Å²	65	59.1 Å²	59.1	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-50.7	175.8	-170.8	-171.9	73.6	92.5	2.8	110.7	N384 E385 I386 R391 L392 L464	N384-R388 PolarHBondContact O-N 3.48Å; E385-R388 WeakPolarHBondContact O-CB 3.28Å; E385-R388 PolarHBondContact O-N 3.27Å; E385-R388 IonicContact OE1-CZ 2.63Å; E385-R388 IonicContact OE1-NE 3.04Å; E385-R388 PolarHBondContact OE1-NE 3.04Å; E385-R388 IonicContact OE1-NH2 2.72Å; E385-R388 PolarHBondContact OE1-NH2 3.43Å; E385-R388 IonicContact OE2-NE 3.16Å; E385-R388 PolarHBondContact OE2-NE 3.45Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.07Å; R388-R391 PolarHBondContact O-N 3.08Å; R388-L392 HydrophobicContact CG-CD1 4.46Å; R388-L392 VanDerWaalsContact NH1-CD1 3.33Å; R388-L392 WeakPolarHBondContact O-CG 3.44Å; R388-L392 PolarHBondContact O-N 3.41Å; R388-L464 HydrophobicContact CG-CD2 4.37Å; R388-L464 PolarHBondContact NH1-O 3.14Å
389	L	91.8	Very high	92.7	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-40	179.4	-71.6	170.7	0	0	0	112.4	M306 M309 E385 I386 R391 L392 D393	M306-L389 HydrophobicContact CB-CB 4.34Å; M309-L389 HydrophobicContact CB-CD1 4.06Å; M309-L389 HydrophobicContact CG-CD1 3.42Å; M309-L389 VanDerWaalsContact CG-CD1 3.42Å; E385-L389 HydrophobicContact CG-CD1 4.46Å; E385-L389 WeakPolarHBondContact O-CG 3.42Å; E385-L389 PolarHBondContact O-N 2.63Å; I386-L389 PolarHBondContact O-N 3.01Å; L389-R391 VanDerWaalsContact C-N 3.34Å; L389-R391 PolarHBondContact O-N 2.88Å; L389-L392 HydrophobicContact CD2-CD1 4.3Å; L389-L392 WeakPolarHBondContact O-CB 3.36Å; L389-L392 PolarHBondContact O-N 2.9Å; L389-D393 PolarHBondContact O-N 3.13Å
390	E	90.8	Very high	92.9	Very high	108 Å²	108	61.9 Å²	61.9	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-43	174.9	-173.3	175.7	-160.2	0	0	111.7	M306 I386 H394	M306-E390 HydrophobicContact CE-CB 3.88Å; M306-E390 HydrophobicContact CE-CG 3.95Å; M306-E390 HydrophobicContact SD-CB 4.41Å; I386-E390 WeakPolarHBondContact O-CB 3.29Å; I386-E390 PolarHBondContact O-N 3.46Å; E390-H394 WeakPolarHBondContact O-CB 3.47Å; E390-H394 PolarHBondContact O-N 2.8Å
391	R	93.4	Very high	93.2	Very high	142 Å²	142	62 Å²	62	54%	0.536	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-42.2	174.6	-174.6	167.4	-174.3	138.7	-2.4	111.6	R387 R388 L389 H394 L395 E460 L464	R387-R391 WeakPolarHBondContact O-CB 3.42Å; R387-R391 PolarHBondContact O-N 3.23Å; R387-R391 VanDerWaalsContact O-N 3.08Å; R388-R391 PolarHBondContact O-N 3.08Å; L389-R391 VanDerWaalsContact C-N 3.34Å; L389-R391 PolarHBondContact O-N 2.88Å; R391-H394 PolarHBondContact O-N 3.01Å; R391-L395 HydrophobicContact CG-CD1 3.83Å; R391-L395 HydrophobicContact CG-CG 4.24Å; R391-L395 WeakPolarHBondContact O-CB 3.33Å; R391-L395 VanDerWaalsContact O-CG 3.24Å; R391-L395 WeakPolarHBondContact O-CG 3.34Å; R391-L395 PolarHBondContact O-N 3.3Å; R391-E460 IonicContact CZ-OE1 2.7Å; R391-E460 IonicContact NE-OE1 3.55Å; R391-E460 PolarHBondContact NE-OE1 2.89Å; R391-E460 IonicContact NH2-OE1 3.97Å; R391-E460 PolarHBondContact NH2-OE1 3.44Å; R391-L464 HydrophobicContact CG-CD1 4.22Å
392	L	93.6	Very high	93.2	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-49.3	176.2	-80.2	176.7	0	0	0	112.2	R388 L389 H394 L395 A396 L461 L464 Y466	R388-L392 HydrophobicContact CG-CD1 4.46Å; R388-L392 VanDerWaalsContact NH1-CD1 3.33Å; R388-L392 WeakPolarHBondContact O-CG 3.44Å; R388-L392 PolarHBondContact O-N 3.41Å; L389-L392 HydrophobicContact CD2-CD1 4.3Å; L389-L392 WeakPolarHBondContact O-CB 3.36Å; L389-L392 PolarHBondContact O-N 2.9Å; L392-H394 VanDerWaalsContact C-N 3.32Å; L392-H394 PolarHBondContact O-N 3.35Å; L392-L395 PolarHBondContact O-N 2.99Å; L392-A396 WeakPolarHBondContact O-CB 3.42Å; L392-A396 PolarHBondContact O-N 3.26Å; L392-L461 HydrophobicContact CD2-CD2 3.72Å; L392-L464 HydrophobicContact CD2-CB 3.48Å; L392-L464 VanDerWaalsContact CD2-CB 3.48Å; L392-L464 HydrophobicContact CD2-CD1 4.01Å; L392-L464 HydrophobicContact CD2-CG 4.41Å; L392-L464 HydrophobicContact CG-CB 4.12Å; L392-L464 HydrophobicContact CG-CD1 4.4Å; L392-Y466 HydrophobicContact CB-CD2 4.19Å; L392-Y466 HydrophobicContact CD1-CD2 4.34Å; L392-Y466 HydrophobicContact CD2-CD2 3.95Å; L392-Y466 HydrophobicContact CD2-CG 4.19Å; L392-Y466 HydrophobicContact CG-CD2 4.41Å
393	D	91.9	Very high	93.4	Very high	71 Å²	71	62.7 Å²	62.7	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-41.9	178.8	-77.8	-20.9	0	0	0	111.2	L389 E397	L389-D393 PolarHBondContact O-N 3.13Å; D393-E397 WeakPolarHBondContact O-CB 3.38Å; D393-E397 PolarHBondContact O-N 3.41Å
394	H	93.3	Very high	93.8	Very high	121 Å²	121	61.8 Å²	61.8	56%	0.56	28%	0.279	S	S	*	.	H	α-helix	trans	-63	-47.7	176	-176.5	72.2	0	0	0	112.6	E390 R391 L392 K398	E390-H394 WeakPolarHBondContact O-CB 3.47Å; E390-H394 PolarHBondContact O-N 2.8Å; R391-H394 PolarHBondContact O-N 3.01Å; L392-H394 VanDerWaalsContact C-N 3.32Å; L392-H394 PolarHBondContact O-N 3.35Å; H394-K398 VanDerWaalsContact O-CB 3.28Å; H394-K398 WeakPolarHBondContact O-CB 3.44Å; H394-K398 PolarHBondContact O-N 2.83Å
395	L	95.8	Very high	94	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-40.7	179	-70.9	172.6	0	0	0	111.7	R391 L392 K398 F399 I457 E460 L461 L464	R391-L395 HydrophobicContact CG-CD1 3.83Å; R391-L395 HydrophobicContact CG-CG 4.24Å; R391-L395 WeakPolarHBondContact O-CB 3.33Å; R391-L395 VanDerWaalsContact O-CG 3.24Å; R391-L395 WeakPolarHBondContact O-CG 3.34Å; R391-L395 PolarHBondContact O-N 3.3Å; L392-L395 PolarHBondContact O-N 2.99Å; L395-K398 PolarHBondContact O-N 3.31Å; L395-F399 WeakPolarHBondContact O-CB 3.4Å; L395-F399 PolarHBondContact O-N 3.06Å; L395-I457 HydrophobicContact CB-CG2 4.2Å; L395-I457 HydrophobicContact CD2-CG2 4.23Å; L395-I457 WeakPolarHBondContact O-CG2 3.35Å; L395-E460 HydrophobicContact CD1-CB 4.35Å; L395-E460 VanDerWaalsContact CD1-CD 3.45Å; L395-E460 HydrophobicContact CD1-CG 3.78Å; L395-E460 WeakPolarHBondContact CD1-OE1 3.41Å; L395-L461 HydrophobicContact CB-CD2 3.7Å; L395-L461 HydrophobicContact CB-CG 3.99Å; L395-L464 HydrophobicContact CD1-CD1 3.99Å
396	A	94.9	Very high	94.3	Very high	6 Å²	6	61.1 Å²	61.1	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-42.7	178.2	0	0	0	0	0	111.8	L392 F399 R400 L461 Y466	L392-A396 WeakPolarHBondContact O-CB 3.42Å; L392-A396 PolarHBondContact O-N 3.26Å; A396-F399 PolarHBondContact O-N 3.36Å; A396-R400 WeakPolarHBondContact O-CB 3.21Å; A396-R400 PolarHBondContact O-N 3.4Å; A396-L461 HydrophobicContact CB-CD2 4.25Å; A396-Y466 HydrophobicContact CB-CE1 4.13Å; A396-Y466 HydrophobicContact CB-CE2 4.03Å; A396-Y466 WeakPolarHBondContact CB-OH 3.48Å
397	E	94.6	Very high	94.5	Very high	72 Å²	72	63.2 Å²	63.2	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-66.3	-43	174.4	-178.2	55.8	-155.9	0	0	111.5	D393 F399 R400 Q401	D393-E397 WeakPolarHBondContact O-CB 3.38Å; D393-E397 PolarHBondContact O-N 3.41Å; E397-F399 VanDerWaalsContact C-N 3.33Å; E397-F399 PolarHBondContact O-N 3.42Å; E397-R400 PolarHBondContact O-N 2.76Å; E397-R400 IonicContact OE2-CZ 3.37Å; E397-R400 IonicContact OE2-NH1 3.1Å; E397-R400 PolarHBondContact OE2-NH1 3.27Å; E397-Q401 WeakPolarHBondContact O-CG 3.41Å; E397-Q401 PolarHBondContact O-N 2.91Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.24Å; E397-Q401 PolarHBondContact OE1-NE2 2.87Å
398	K	95.3	Very high	94.7	Very high	86 Å²	86	60.1 Å²	60.1	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-41	176.6	-168.1	178.1	-180	-179.1	0	112	H394 L395 K402 I457	H394-K398 VanDerWaalsContact O-CB 3.28Å; H394-K398 WeakPolarHBondContact O-CB 3.44Å; H394-K398 PolarHBondContact O-N 2.83Å; L395-K398 PolarHBondContact O-N 3.31Å; K398-K402 HydrophobicContact CG-CD 4.28Å; K398-K402 WeakPolarHBondContact O-CB 3.13Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 3.35Å; K398-I457 HydrophobicContact CD-CD1 3.92Å; K398-I457 HydrophobicContact CG-CD1 3.94Å
399	F	97.6	Very high	94.8	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-51.2	172.2	175.5	-94.6	0	0	0	110.5	L395 A396 E397 Q401 K402 A403 I454 I457 A458 L461 V472 R475 C476	L395-F399 WeakPolarHBondContact O-CB 3.4Å; L395-F399 PolarHBondContact O-N 3.06Å; A396-F399 PolarHBondContact O-N 3.36Å; E397-F399 VanDerWaalsContact C-N 3.33Å; E397-F399 PolarHBondContact O-N 3.42Å; F399-Q401 VanDerWaalsContact C-N 3.34Å; F399-Q401 PolarHBondContact O-N 2.94Å; F399-K402 PolarHBondContact O-N 2.97Å; F399-A403 HydrophobicContact CE1-CB 4.37Å; F399-A403 HydrophobicContact CZ-CB 4.4Å; F399-A403 WeakPolarHBondContact O-CB 3.49Å; F399-A403 PolarHBondContact O-N 2.64Å; F399-I454 HydrophobicContact CD2-CG2 4.03Å; F399-I454 HydrophobicContact CE2-CG2 3.58Å; F399-I454 HydrophobicContact CZ-CG2 4.49Å; F399-I457 HydrophobicContact CB-CG2 3.87Å; F399-A458 HydrophobicContact CD2-CB 4.23Å; F399-A458 HydrophobicContact CE2-CB 3.95Å; F399-L461 HydrophobicContact CB-CD1 4.16Å; F399-V472 HydrophobicContact CD1-CG1 4.01Å; F399-V472 HydrophobicContact CD1-CG2 4.14Å; F399-V472 HydrophobicContact CD2-CG1 4.04Å; F399-V472 HydrophobicContact CE1-CB 4.15Å; F399-V472 HydrophobicContact CE1-CG1 3.76Å; F399-V472 HydrophobicContact CE1-CG2 4.08Å; F399-V472 HydrophobicContact CE2-CG1 3.78Å; F399-V472 HydrophobicContact CG-CG1 4.15Å; F399-V472 HydrophobicContact CZ-CB 4.34Å; F399-V472 HydrophobicContact CZ-CG1 3.65Å; F399-V472 WeakPolarHBondContact CZ-O 3.28Å; F399-R475 HydrophobicContact CZ-CB 4.33Å; F399-C476 HydrophobicContact CE2-CB 4.14Å; F399-C476 HydrophobicContact CZ-CB 4.27Å
400	R	95.9	Very high	95	Very high	119 Å²	119	58.7 Å²	58.7	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-45.3	-179.1	-169.9	-174.8	-65.4	135.2	-1.8	112	A396 E397 S404	A396-R400 WeakPolarHBondContact O-CB 3.21Å; A396-R400 PolarHBondContact O-N 3.4Å; E397-R400 PolarHBondContact O-N 2.76Å; E397-R400 IonicContact OE2-CZ 3.37Å; E397-R400 IonicContact OE2-NH1 3.1Å; E397-R400 PolarHBondContact OE2-NH1 3.27Å; R400-S404 WeakPolarHBondContact O-CB 3.35Å; R400-S404 PolarHBondContact O-N 2.69Å; R400-S404 VanDerWaalsContact O-N 3.08Å; R400-S404 PolarHBondContact O-OG 2.65Å
401	Q	96.4	Very high	95.2	Very high	106 Å²	106	59.9 Å²	59.9	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-52.2	177.7	-70	-179.5	11.9	0	0	111.7	E397 F399 A403 S404 I405	E397-Q401 WeakPolarHBondContact O-CG 3.41Å; E397-Q401 PolarHBondContact O-N 2.91Å; E397-Q401 WeakPolarHBondContact OE1-CG 3.24Å; E397-Q401 PolarHBondContact OE1-NE2 2.87Å; F399-Q401 VanDerWaalsContact C-N 3.34Å; F399-Q401 PolarHBondContact O-N 2.94Å; Q401-A403 PolarHBondContact O-N 3.36Å; Q401-S404 PolarHBondContact O-N 2.97Å; Q401-I405 WeakPolarHBondContact O-CD1 3.45Å; Q401-I405 VanDerWaalsContact O-CG1 3.26Å; Q401-I405 WeakPolarHBondContact O-CG1 3.43Å; Q401-I405 PolarHBondContact O-N 3.08Å
402	K	95.9	Very high	95.1	Very high	49 Å²	49	55.2 Å²	55.2	21%	0.213	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-44	-178.4	-76.4	179.2	173.7	-80	0	112.3	K398 F399 I405 H406 I454 I457	K398-K402 HydrophobicContact CG-CD 4.28Å; K398-K402 WeakPolarHBondContact O-CB 3.13Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 3.35Å; F399-K402 PolarHBondContact O-N 2.97Å; K402-I405 PolarHBondContact O-N 3.47Å; K402-H406 WeakPolarHBondContact O-CB 3.16Å; K402-H406 PolarHBondContact O-N 3.35Å; K402-I454 HydrophobicContact CB-CD1 4.23Å; K402-I454 HydrophobicContact CB-CG1 3.79Å; K402-I457 HydrophobicContact CD-CD1 3.84Å
403	A	96.7	Very high	95.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-47.5	176.7	0	0	0	0	0	111.3	F399 Q401 I405 H406 E407 I479	F399-A403 HydrophobicContact CE1-CB 4.37Å; F399-A403 HydrophobicContact CZ-CB 4.4Å; F399-A403 WeakPolarHBondContact O-CB 3.49Å; F399-A403 PolarHBondContact O-N 2.64Å; Q401-A403 PolarHBondContact O-N 3.36Å; A403-I405 PolarHBondContact O-N 2.72Å; A403-H406 PolarHBondContact O-N 3.36Å; A403-E407 WeakPolarHBondContact O-CB 3.37Å; A403-E407 WeakPolarHBondContact O-CG 3.4Å; A403-E407 PolarHBondContact O-N 3.19Å; A403-I479 HydrophobicContact CB-CD1 3.79Å
404	S	96.5	Very high	95.2	Very high	50 Å²	50	56 Å²	56	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-38.7	-178.9	-51.4	0	0	0	0	112.5	R400 Q401 H406 A408 R475	R400-S404 WeakPolarHBondContact O-CB 3.35Å; R400-S404 PolarHBondContact O-N 2.69Å; R400-S404 VanDerWaalsContact O-N 3.08Å; R400-S404 PolarHBondContact O-OG 2.65Å; Q401-S404 PolarHBondContact O-N 2.97Å; S404-H406 VanDerWaalsContact C-N 3.33Å; S404-A408 WeakPolarHBondContact O-CB 3.33Å; S404-A408 PolarHBondContact O-N 2.98Å; S404-R475 PolarHBondContact OG-NH2 3.22Å
405	I	95.1	Very high	95.2	Very high	99 Å²	99	53.3 Å²	53.3	51%	0.508	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-37.2	175	-66.2	165.7	0	0	0	111	Q401 K402 A403 W409	Q401-I405 WeakPolarHBondContact O-CD1 3.45Å; Q401-I405 VanDerWaalsContact O-CG1 3.26Å; Q401-I405 WeakPolarHBondContact O-CG1 3.43Å; Q401-I405 PolarHBondContact O-N 3.08Å; K402-I405 PolarHBondContact O-N 3.47Å; A403-I405 PolarHBondContact O-N 2.72Å; I405-W409 PolarHBondContact O-N 2.8Å
406	H	96.6	Very high	95.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-45.7	176.8	-178.3	83.3	0	0	0	111.9	K402 A403 S404 A408 W409 T410 V451 I454 I479 W483	K402-H406 WeakPolarHBondContact O-CB 3.16Å; K402-H406 PolarHBondContact O-N 3.35Å; A403-H406 PolarHBondContact O-N 3.36Å; S404-H406 VanDerWaalsContact C-N 3.33Å; H406-A408 VanDerWaalsContact C-N 3.34Å; H406-A408 PolarHBondContact O-N 3.47Å; H406-W409 PolarHBondContact O-N 2.92Å; H406-W409 VanDerWaalsContact O-N 3.11Å; H406-T410 WeakPolarHBondContact NE2-CG2 3.5Å; H406-T410 PolarHBondContact O-N 2.82Å; H406-T410 PolarHBondContact O-OG1 3.42Å; H406-V451 WeakPolarHBondContact CE1-CG2 3.41Å; H406-I454 HydrophobicContact CB-CD1 3.83Å; H406-I479 VanDerWaalsContact CD2-CG2 3.46Å; H406-I479 WeakPolarHBondContact CD2-CG2 3.44Å; H406-W483 AromaticContact CE1-CE3 3.55Å; H406-W483 AromaticContact CE1-CZ3 3.66Å
407	E	95.3	Very high	95.1	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-43.1	175.3	-73.1	168.5	-178.9	0	0	111.6	A403 W409 T410 D411 R475 I479	A403-E407 WeakPolarHBondContact O-CB 3.37Å; A403-E407 WeakPolarHBondContact O-CG 3.4Å; A403-E407 PolarHBondContact O-N 3.19Å; E407-W409 VanDerWaalsContact C-N 3.25Å; E407-W409 PolarHBondContact O-N 2.95Å; E407-T410 WeakPolarHBondContact CA-OG1 3.43Å; E407-T410 PolarHBondContact O-N 3.31Å; E407-T410 PolarHBondContact O-OG1 3.39Å; E407-D411 PolarHBondContact O-N 3.06Å; E407-R475 VanDerWaalsContact CD-NH2 3.34Å; E407-R475 IonicContact OE1-CZ 3.27Å; E407-R475 IonicContact OE1-NE 2.7Å; E407-R475 PolarHBondContact OE1-NE 3.32Å; E407-R475 IonicContact OE1-NH2 3.98Å; E407-R475 PolarHBondContact OE1-NH2 2.83Å; E407-R475 IonicContact OE2-CZ 3.99Å; E407-R475 IonicContact OE2-NE 2.9Å; E407-R475 IonicContact OE2-NH2 3.19Å; E407-R475 PolarHBondContact OE2-NH2 3.43Å; E407-I479 HydrophobicContact CG-CD1 4.29Å; E407-I479 HydrophobicContact CG-CG1 4.27Å
408	A	95.3	Very high	95.1	Very high	75 Å²	75	60 Å²	60	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-62.6	-30.8	175.6	0	0	0	0	0	113.3	S404 H406	S404-A408 WeakPolarHBondContact O-CB 3.33Å; S404-A408 PolarHBondContact O-N 2.98Å; H406-A408 VanDerWaalsContact C-N 3.34Å; H406-A408 PolarHBondContact O-N 3.47Å
409	W	95.3	Very high	94.9	Very high	39 Å²	39	61 Å²	61	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-79.7	-33.9	176.4	174	90.5	0	0	0	112.7	I405 H406 E407 D411 K413 D443 L444 H447 W483	I405-W409 PolarHBondContact O-N 2.8Å; H406-W409 PolarHBondContact O-N 2.92Å; H406-W409 VanDerWaalsContact O-N 3.11Å; E407-W409 VanDerWaalsContact C-N 3.25Å; E407-W409 PolarHBondContact O-N 2.95Å; W409-D411 VanDerWaalsContact C-N 3.34Å; W409-K413 WeakPolarHBondContact O-CE 3.46Å; W409-K413 WeakPolarHBondContact O-CG 3.26Å; W409-D443 WeakPolarHBondContact CZ2-OD2 3.28Å; W409-D443 PolarHBondContact NE1-OD2 3.32Å; W409-L444 HydrophobicContact CH2-CD1 3.64Å; W409-L444 HydrophobicContact CZ3-CD1 4.28Å; W409-H447 AromaticContact CD1-CE1 3.25Å; W409-H447 AromaticContact CD1-ND1 3.97Å; W409-H447 AromaticContact CD1-NE2 3.84Å; W409-H447 AromaticContact CD2-CE1 3.5Å; W409-H447 AromaticContact CD2-ND1 3.39Å; W409-H447 AromaticContact CE2-CE1 3.53Å; W409-H447 AromaticContact CE2-CG 3.94Å; W409-H447 AromaticContact CE2-ND1 3.58Å; W409-H447 AromaticContact CE2-NE2 3.93Å; W409-H447 AromaticContact CE3-ND1 3.76Å; W409-H447 AromaticContact CG-CE1 3.35Å; W409-H447 AromaticContact CG-ND1 3.68Å; W409-H447 HydrophobicContact CH2-CB 4.36Å; W409-H447 HydrophobicContact CZ2-CB 4.46Å; W409-H447 AromaticContact NE1-CE1 3.32Å; W409-H447 PolarHBondContact NE1-CE1 2.95Å; W409-H447 VanDerWaalsContact NE1-CE1 3.32Å; W409-H447 AromaticContact NE1-ND1 3.87Å; W409-H447 AromaticContact NE1-NE2 3.55Å; W409-W483 HydrophobicContact CH2-CZ3 4.06Å; W409-W483 HydrophobicContact CZ3-CE3 4.46Å; W409-W483 AromaticContact CZ3-CZ3 3.67Å; W409-W483 HydrophobicContact CZ3-CZ3 3.67Å
410	T	94.6	Very high	94.7	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-76.8	-21.6	178	49.9	0	0	0	0	112.9	H406 E407 G412 K413 L486	H406-T410 WeakPolarHBondContact NE2-CG2 3.5Å; H406-T410 PolarHBondContact O-N 2.82Å; H406-T410 PolarHBondContact O-OG1 3.42Å; E407-T410 WeakPolarHBondContact CA-OG1 3.43Å; E407-T410 PolarHBondContact O-N 3.31Å; E407-T410 PolarHBondContact O-OG1 3.39Å; T410-G412 PolarHBondContact O-N 3.01Å; T410-K413 WeakPolarHBondContact O-CB 3.4Å; T410-K413 WeakPolarHBondContact O-CG 3.24Å; T410-K413 PolarHBondContact O-N 2.89Å; T410-K413 VanDerWaalsContact O-N 3.08Å; T410-L486 HydrophobicContact CG2-CD1 3.68Å
411	D	94.8	Very high	94.5	Very high	134 Å²	134	63.1 Å²	63.1	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131.9	178.2	-169.3	28.6	0	0	0	112	E407 W409 K413	E407-D411 PolarHBondContact O-N 3.06Å; W409-D411 VanDerWaalsContact C-N 3.34Å; D411-K413 PolarHBondContact O-N 3.08Å
412	G	92.6	Very high	94.2	Very high	43 Å²	43	59.8 Å²	59.8	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-14	-176.1	0	0	0	0	0	117	T410 E414 A415 M416	T410-G412 PolarHBondContact O-N 3.01Å; G412-E414 PolarHBondContact O-N 3.31Å; G412-A415 PolarHBondContact O-N 3.07Å; G412-M416 PolarHBondContact O-N 2.78Å
413	K	94.2	Very high	93.7	Very high	50 Å²	50	61.7 Å²	61.7	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-40.3	-177.4	-59.8	-60.2	-166.4	160.2	0	112.8	W409 T410 D411 A415 M416 L417 F440 L486	W409-K413 WeakPolarHBondContact O-CE 3.46Å; W409-K413 WeakPolarHBondContact O-CG 3.26Å; T410-K413 WeakPolarHBondContact O-CB 3.4Å; T410-K413 WeakPolarHBondContact O-CG 3.24Å; T410-K413 PolarHBondContact O-N 2.89Å; T410-K413 VanDerWaalsContact O-N 3.08Å; D411-K413 PolarHBondContact O-N 3.08Å; K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 2.96Å; K413-M416 WeakPolarHBondContact O-CB 3.37Å; K413-M416 PolarHBondContact O-N 3.45Å; K413-L417 WeakPolarHBondContact O-CG 3.49Å; K413-L417 PolarHBondContact O-N 3.3Å; K413-F440 HydrophobicContact CD-CE2 3.87Å; K413-F440 HydrophobicContact CG-CE2 4.43Å; K413-L486 HydrophobicContact CB-CD2 3.99Å
414	E	93.8	Very high	93.2	Very high	42 Å²	42	66.1 Å²	66.1	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-61	-42.9	174.5	-79.6	-158.8	-160.1	0	0	112.2	G412 M416 L417 R418 N485 L486 L489	G412-E414 PolarHBondContact O-N 3.31Å; E414-M416 VanDerWaalsContact C-N 3.32Å; E414-M416 PolarHBondContact O-N 3.24Å; E414-L417 PolarHBondContact O-N 3.34Å; E414-R418 VanDerWaalsContact O-CG 3.31Å; E414-R418 WeakPolarHBondContact O-CG 3.44Å; E414-R418 PolarHBondContact O-N 2.81Å; E414-R418 VanDerWaalsContact O-N 3.11Å; E414-R418 IonicContact OE2-CZ 2.89Å; E414-R418 IonicContact OE2-NE 2.81Å; E414-R418 IonicContact OE2-NH2 3.85Å; E414-R418 PolarHBondContact OE2-NH2 3.36Å; E414-N485 PolarHBondContact OE1-ND2 3.49Å; E414-N485 PolarHBondContact OE2-ND2 3.16Å; E414-L486 HydrophobicContact CB-CD2 4.44Å; E414-L486 HydrophobicContact CG-CD2 3.61Å; E414-L486 HydrophobicContact CG-CG 4.13Å; E414-L489 HydrophobicContact CB-CD1 4.44Å; E414-L489 HydrophobicContact CG-CD1 4.1Å
415	A	93.3	Very high	92.8	Very high	64 Å²	64	64.3 Å²	64.3	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-40.7	179.1	0	0	0	0	0	110.9	G412 K413 R418 Q419	G412-A415 PolarHBondContact O-N 3.07Å; K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 2.96Å; A415-R418 PolarHBondContact O-N 3.48Å; A415-Q419 WeakPolarHBondContact O-CG 3.35Å
416	M	92.8	Very high	92.6	Very high	70 Å²	70	62.4 Å²	62.4	35%	0.345	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-47.7	173.4	-173.1	-163.7	82.3	0	0	111.7	G412 K413 E414 R418 Q419 F440	G412-M416 PolarHBondContact O-N 2.78Å; K413-M416 WeakPolarHBondContact O-CB 3.37Å; K413-M416 PolarHBondContact O-N 3.45Å; E414-M416 VanDerWaalsContact C-N 3.32Å; E414-M416 PolarHBondContact O-N 3.24Å; M416-R418 VanDerWaalsContact C-N 3.27Å; M416-R418 PolarHBondContact O-N 2.84Å; M416-Q419 WeakPolarHBondContact O-CB 3.46Å; M416-Q419 PolarHBondContact O-N 2.93Å; M416-F440 HydrophobicContact CE-CD1 4.5Å; M416-F440 HydrophobicContact CE-CD2 3.9Å; M416-F440 HydrophobicContact CE-CE2 4.08Å; M416-F440 HydrophobicContact CE-CG 4.12Å; M416-F440 HydrophobicContact CE-CZ 4.44Å
417	L	94.8	Very high	92.3	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-30.2	-178.3	-73	172.7	0	0	0	113.2	K413 E414 Q419 F440 L486 L489 T490 R493	K413-L417 WeakPolarHBondContact O-CG 3.49Å; K413-L417 PolarHBondContact O-N 3.3Å; E414-L417 PolarHBondContact O-N 3.34Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.3Å; L417-F440 HydrophobicContact CD1-CE1 4.04Å; L417-F440 HydrophobicContact CD1-CZ 4.19Å; L417-F440 HydrophobicContact CD2-CD1 4.17Å; L417-F440 HydrophobicContact CD2-CE1 3.77Å; L417-F440 HydrophobicContact CD2-CZ 4.41Å; L417-F440 HydrophobicContact CG-CE1 4.24Å; L417-F440 HydrophobicContact CG-CZ 4.46Å; L417-L486 HydrophobicContact CD1-CD2 3.68Å; L417-L489 HydrophobicContact CB-CB 4.24Å; L417-L489 HydrophobicContact CD1-CB 4.02Å; L417-T490 WeakPolarHBondContact CD1-OG1 3.23Å; L417-R493 WeakPolarHBondContact O-CD 3.33Å; L417-R493 PolarHBondContact O-NH1 3.18Å
418	R	93.8	Very high	92	Very high	152 Å²	152	64.9 Å²	64.9	57%	0.574	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.9	178.6	-69	176	-165.6	-135.6	10	114.1	E414 A415 M416 L489	E414-R418 VanDerWaalsContact O-CG 3.31Å; E414-R418 WeakPolarHBondContact O-CG 3.44Å; E414-R418 PolarHBondContact O-N 2.81Å; E414-R418 VanDerWaalsContact O-N 3.11Å; E414-R418 IonicContact OE2-CZ 2.89Å; E414-R418 IonicContact OE2-NE 2.81Å; E414-R418 IonicContact OE2-NH2 3.85Å; E414-R418 PolarHBondContact OE2-NH2 3.36Å; A415-R418 PolarHBondContact O-N 3.48Å; M416-R418 VanDerWaalsContact C-N 3.27Å; M416-R418 PolarHBondContact O-N 2.84Å; R418-L489 HydrophobicContact CG-CD1 4.47Å; R418-L489 HydrophobicContact CG-CD2 4.33Å
419	Q	93.1	Very high	91.9	Very high	107 Å²	107	66.1 Å²	66.1	50%	0.5	35%	0.35	S	S	.	.			trans	-63.3	144.7	177.7	-66.7	-175.8	-1.8	0	0	110.9	A415 M416 L417 R493	A415-Q419 WeakPolarHBondContact O-CG 3.35Å; M416-Q419 WeakPolarHBondContact O-CB 3.46Å; M416-Q419 PolarHBondContact O-N 2.93Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.3Å; Q419-R493 PolarHBondContact O-NH1 2.75Å
420	K	91.9	Very high	91.9	Very high	120 Å²	120	64.2 Å²	64.2	52%	0.522	34%	0.343	S	S	.	.			trans	-109.5	32.6	-179.6	-69.5	171.2	149	-119.5	0	111.8	Y422 E423	K420-Y422 HydrophobicContact CB-CE1 4.45Å; K420-Y422 HydrophobicContact CG-CE1 4.41Å; K420-Y422 PolarHBondContact O-N 2.85Å; K420-Y422 VanDerWaalsContact O-N 3.15Å; K420-E423 HydrophobicContact CB-CG 4.18Å; K420-E423 IonicContact NZ-OE1 2.7Å; K420-E423 PolarHBondContact NZ-OE1 2.91Å; K420-E423 IonicContact NZ-OE2 3.66Å; K420-E423 WeakPolarHBondContact O-CB 3.46Å; K420-E423 PolarHBondContact O-N 3.35Å
421	D	91.1	Very high	91.9	Very high	51 Å²	51	68.1 Å²	68.1	27%	0.273	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-54.4	-26.6	176.7	54.1	-24.9	0	0	0	113.5	E423 L433 R493	D421-E423 VanDerWaalsContact C-N 3.32Å; D421-E423 PolarHBondContact O-N 3.48Å; D421-L433 WeakPolarHBondContact OD2-CD2 3.36Å; D421-R493 VanDerWaalsContact CG-NH2 3.28Å; D421-R493 IonicContact OD1-CZ 3.54Å; D421-R493 IonicContact OD1-NH1 2.75Å; D421-R493 PolarHBondContact OD1-NH1 3.39Å; D421-R493 VanDerWaalsContact OD1-NH1 3.14Å; D421-R493 IonicContact OD1-NH2 3.41Å; D421-R493 PolarHBondContact OD1-NH2 3.15Å; D421-R493 IonicContact OD2-NH2 3.66Å; D421-R493 PolarHBondContact OD2-NH2 3.2Å
422	Y	90.4	Very high	91.8	Very high	36 Å²	36	64.2 Å²	64.2	14%	0.141	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23.2	175.3	60.7	-96.3	0	0	0	114.6	K420 T424 A425 I430 A496 L497 T500	K420-Y422 HydrophobicContact CB-CE1 4.45Å; K420-Y422 HydrophobicContact CG-CE1 4.41Å; K420-Y422 PolarHBondContact O-N 2.85Å; K420-Y422 VanDerWaalsContact O-N 3.15Å; Y422-T424 VanDerWaalsContact C-N 3.28Å; Y422-T424 PolarHBondContact O-N 3.13Å; Y422-A425 PolarHBondContact O-N 2.99Å; Y422-I430 VanDerWaalsContact CB-CD1 3.44Å; Y422-A496 HydrophobicContact CD2-CB 4.49Å; Y422-A496 HydrophobicContact CE1-CB 4.18Å; Y422-A496 HydrophobicContact CE2-CB 3.86Å; Y422-L497 HydrophobicContact CD1-CD2 4.24Å; Y422-L497 HydrophobicContact CG-CD2 4.16Å; Y422-T500 WeakPolarHBondContact O-CG2 3.44Å
423	E	86.9	Confident	92	Very high	90 Å²	90	63.6 Å²	63.6	42%	0.421	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-70.2	-25.2	-177.7	-65.9	179.9	173.3	0	0	112.6	K420 D421	K420-E423 HydrophobicContact CB-CG 4.18Å; K420-E423 IonicContact NZ-OE1 2.7Å; K420-E423 PolarHBondContact NZ-OE1 2.91Å; K420-E423 IonicContact NZ-OE2 3.66Å; K420-E423 WeakPolarHBondContact O-CB 3.46Å; K420-E423 PolarHBondContact O-N 3.35Å; D421-E423 VanDerWaalsContact C-N 3.32Å; D421-E423 PolarHBondContact O-N 3.48Å
424	T	86.1	Confident	92	Very high	92 Å²	92	63 Å²	63	56%	0.564	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-110.7	5.6	-179.2	57.9	0	0	0	0	113.5	Y422	Y422-T424 VanDerWaalsContact C-N 3.28Å; Y422-T424 PolarHBondContact O-N 3.13Å
425	A	88.3	Confident	92.1	Very high	13 Å²	13	68.3 Å²	68.3	11%	0.107	35%	0.353	C	S	.	.			trans	-81.8	144.9	-174.8	0	0	0	0	0	112.2	Y422 E429 I430 L433 L504	Y422-A425 PolarHBondContact O-N 2.99Å; A425-E429 HydrophobicContact CB-CB 3.96Å; A425-I430 HydrophobicContact CB-CB 4.35Å; A425-L433 HydrophobicContact CB-CD1 4.3Å; A425-L504 WeakPolarHBondContact O-CD1 3.43Å
426	T	89.6	Confident	92.1	Very high	59 Å²	59	72.4 Å²	72.4	36%	0.362	36%	0.359	S	S	.	.			trans	-75.1	167.4	166.7	59.2	0	0	0	0	111.6	S428 E429 I430	T426-S428 VanDerWaalsContact C-N 3.27Å; T426-S428 PolarHBondContact O-N 3.32Å; T426-S428 PolarHBondContact OG1-OG 3.44Å; T426-E429 WeakPolarHBondContact CB-OE2 3.4Å; T426-E429 PolarHBondContact N-OE2 2.97Å; T426-E429 PolarHBondContact O-N 3.04Å; T426-E429 VanDerWaalsContact OG1-CG 3.23Å; T426-E429 WeakPolarHBondContact OG1-CG 3.41Å; T426-E429 PolarHBondContact OG1-N 3.36Å; T426-E429 PolarHBondContact OG1-OE2 3.34Å; T426-I430 PolarHBondContact O-N 2.63Å
427	L	89.9	Confident	92.3	Very high	29 Å²	29	69.5 Å²	69.5	15%	0.152	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-35.5	180	-178.2	59.2	0	0	0	113.4	I430 K431 E501 L504 E505 D508	L427-I430 HydrophobicContact CD1-CG2 4.16Å; L427-I430 VanDerWaalsContact O-CG2 3.25Å; L427-I430 WeakPolarHBondContact O-CG2 3.48Å; L427-K431 HydrophobicContact CD1-CD 4.44Å; L427-K431 WeakPolarHBondContact O-CG 3.38Å; L427-K431 PolarHBondContact O-N 3.47Å; L427-E501 HydrophobicContact CD1-CG 4.5Å; L427-L504 HydrophobicContact CB-CB 4.31Å; L427-L504 HydrophobicContact CD1-CB 3.88Å; L427-E505 HydrophobicContact CD1-CG 3.67Å; L427-E505 HydrophobicContact CD2-CG 4.41Å; L427-D508 HydrophobicContact CD2-CB 3.99Å
428	S	90.8	Very high	92.4	Very high	87 Å²	87	75 Å²	75	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-71.7	-39	174.6	46.1	0	0	0	0	112.5	T426 A432	T426-S428 VanDerWaalsContact C-N 3.27Å; T426-S428 PolarHBondContact O-N 3.32Å; T426-S428 PolarHBondContact OG1-OG 3.44Å; S428-A432 WeakPolarHBondContact O-CB 3.42Å; S428-A432 PolarHBondContact O-N 2.98Å
429	E	93.3	Very high	92.4	Very high	100 Å²	100	70.8 Å²	70.8	47%	0.467	37%	0.368	S	S	.	.	H	α-helix	trans	-69.8	-42.1	-179.8	-71.1	165.8	152.5	0	0	111.1	A425 T426 K431 A432 L433	A425-E429 HydrophobicContact CB-CB 3.96Å; T426-E429 WeakPolarHBondContact CB-OE2 3.4Å; T426-E429 PolarHBondContact N-OE2 2.97Å; T426-E429 PolarHBondContact O-N 3.04Å; T426-E429 VanDerWaalsContact OG1-CG 3.23Å; T426-E429 WeakPolarHBondContact OG1-CG 3.41Å; T426-E429 PolarHBondContact OG1-N 3.36Å; T426-E429 PolarHBondContact OG1-OE2 3.34Å; E429-K431 VanDerWaalsContact C-N 3.35Å; E429-K431 PolarHBondContact O-N 3Å; E429-A432 WeakPolarHBondContact O-CB 3.33Å; E429-A432 PolarHBondContact O-N 3.28Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.02Å
430	I	94.6	Very high	92.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-41.8	177.3	-165.8	67.1	0	0	0	111.2	Y422 A425 T426 L427 A432 L433 L434 L497 T500 E501 L504	Y422-I430 VanDerWaalsContact CB-CD1 3.44Å; A425-I430 HydrophobicContact CB-CB 4.35Å; T426-I430 PolarHBondContact O-N 2.63Å; L427-I430 HydrophobicContact CD1-CG2 4.16Å; L427-I430 VanDerWaalsContact O-CG2 3.25Å; L427-I430 WeakPolarHBondContact O-CG2 3.48Å; I430-A432 VanDerWaalsContact C-N 3.32Å; I430-A432 PolarHBondContact O-N 2.77Å; I430-L433 HydrophobicContact CD1-CD1 4.48Å; I430-L433 WeakPolarHBondContact O-CB 3.43Å; I430-L433 PolarHBondContact O-N 3.37Å; I430-L434 WeakPolarHBondContact O-CB 3.26Å; I430-L434 PolarHBondContact O-N 3.25Å; I430-L497 HydrophobicContact CD1-CD2 3.49Å; I430-L497 VanDerWaalsContact CD1-CD2 3.49Å; I430-T500 HydrophobicContact CD1-CG2 4.37Å; I430-E501 HydrophobicContact CG1-CB 4.18Å; I430-E501 HydrophobicContact CG2-CB 4.19Å; I430-E501 HydrophobicContact CG2-CG 4.37Å; I430-L504 HydrophobicContact CB-CD1 4.4Å; I430-L504 HydrophobicContact CG2-CD1 3.98Å
431	K	93.4	Very high	92.8	Very high	85 Å²	85	62.2 Å²	62.2	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-40.2	174.7	-77.3	-178.5	173.5	-176.4	0	111.9	L427 E429 L434 K435 E501 E505	L427-K431 HydrophobicContact CD1-CD 4.44Å; L427-K431 WeakPolarHBondContact O-CG 3.38Å; L427-K431 PolarHBondContact O-N 3.47Å; E429-K431 VanDerWaalsContact C-N 3.35Å; E429-K431 PolarHBondContact O-N 3Å; K431-L434 PolarHBondContact O-N 2.95Å; K431-K435 PolarHBondContact O-N 3.17Å; K431-K435 VanDerWaalsContact O-N 3.13Å; K431-E501 WeakPolarHBondContact CE-OE1 3.37Å; K431-E501 HydrophobicContact CG-CG 4.41Å; K431-E501 WeakPolarHBondContact CG-OE1 3.38Å; K431-E505 VanDerWaalsContact CE-OE1 3.23Å; K431-E505 WeakPolarHBondContact CE-OE1 3.28Å; K431-E505 IonicContact NZ-OE1 3.56Å; K431-E505 PolarHBondContact NZ-OE1 3.07Å
432	A	94.4	Very high	93	Very high	51 Å²	51	63.8 Å²	63.8	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-39.5	174.5	0	0	0	0	0	112.3	S428 E429 I430 K435 K436	S428-A432 WeakPolarHBondContact O-CB 3.42Å; S428-A432 PolarHBondContact O-N 2.98Å; E429-A432 WeakPolarHBondContact O-CB 3.33Å; E429-A432 PolarHBondContact O-N 3.28Å; I430-A432 VanDerWaalsContact C-N 3.32Å; I430-A432 PolarHBondContact O-N 2.77Å; A432-K435 PolarHBondContact O-N 3.45Å; A432-K436 WeakPolarHBondContact O-CG 3.4Å; A432-K436 PolarHBondContact O-N 3.3Å
433	L	95.4	Very high	93.2	Very high	31 Å²	31	65.1 Å²	65.1	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-41.4	174.5	-72.3	174.2	0	0	0	111.6	D421 A425 E429 I430 K435 K436 H437 L497	D421-L433 WeakPolarHBondContact OD2-CD2 3.36Å; A425-L433 HydrophobicContact CB-CD1 4.3Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.02Å; I430-L433 HydrophobicContact CD1-CD1 4.48Å; I430-L433 WeakPolarHBondContact O-CB 3.43Å; I430-L433 PolarHBondContact O-N 3.37Å; L433-K435 PolarHBondContact O-N 3.05Å; L433-K436 WeakPolarHBondContact O-CB 3.37Å; L433-K436 PolarHBondContact O-N 3Å; L433-H437 WeakPolarHBondContact O-CB 3.17Å; L433-H437 PolarHBondContact O-N 3.08Å; L433-L497 HydrophobicContact CB-CD2 4.11Å
434	L	95.4	Very high	93.5	Very high	36 Å²	36	61.7 Å²	61.7	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-43.9	177.8	-134.7	134.6	0	0	0	111.3	I430 K431 K436 H437 E438 L497 E498 E501	I430-L434 WeakPolarHBondContact O-CB 3.26Å; I430-L434 PolarHBondContact O-N 3.25Å; K431-L434 PolarHBondContact O-N 2.95Å; L434-K436 PolarHBondContact O-N 2.98Å; L434-H437 WeakPolarHBondContact O-CB 3.31Å; L434-H437 PolarHBondContact O-N 2.87Å; L434-H437 VanDerWaalsContact O-N 3.17Å; L434-E438 PolarHBondContact O-N 3.17Å; L434-L497 HydrophobicContact CD1-CB 3.9Å; L434-L497 HydrophobicContact CG-CB 4.25Å; L434-E498 HydrophobicContact CD1-CG 4.18Å; L434-E498 HydrophobicContact CD2-CG 4.37Å; L434-E501 HydrophobicContact CD1-CB 4.21Å; L434-E501 WeakPolarHBondContact CD1-OE2 3.18Å
435	K	95.1	Very high	93.9	Very high	155 Å²	155	60.5 Å²	60.5	67%	0.674	34%	0.338	S	S	*	.	H	α-helix	trans	-65.1	-37.8	174.5	-169.1	172.2	-175.7	174.2	0	113	K431 A432 L433 H437 A439	K431-K435 PolarHBondContact O-N 3.17Å; K431-K435 VanDerWaalsContact O-N 3.13Å; A432-K435 PolarHBondContact O-N 3.45Å; L433-K435 PolarHBondContact O-N 3.05Å; K435-H437 VanDerWaalsContact C-N 3.31Å; K435-A439 PolarHBondContact O-N 2.98Å; K435-A439 VanDerWaalsContact O-N 3.16Å
436	K	94.4	Very high	94.1	Very high	150 Å²	150	63.3 Å²	63.3	65%	0.652	36%	0.361	S	S	*	.	H	α-helix	trans	-65	-37.6	172.3	-76.3	179.3	179.3	177.7	0	111.6	A432 L433 L434 A439 F440	A432-K436 WeakPolarHBondContact O-CG 3.4Å; A432-K436 PolarHBondContact O-N 3.3Å; L433-K436 WeakPolarHBondContact O-CB 3.37Å; L433-K436 PolarHBondContact O-N 3Å; L434-K436 PolarHBondContact O-N 2.98Å; K436-A439 PolarHBondContact O-N 3.44Å; K436-F440 PolarHBondContact O-N 3.46Å
437	H	96.6	Very high	94.3	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-40.6	177.8	-169.9	79.4	0	0	0	111.7	L433 L434 K435 A439 F440 E441 T490 L497	L433-H437 WeakPolarHBondContact O-CB 3.17Å; L433-H437 PolarHBondContact O-N 3.08Å; L434-H437 WeakPolarHBondContact O-CB 3.31Å; L434-H437 PolarHBondContact O-N 2.87Å; L434-H437 VanDerWaalsContact O-N 3.17Å; K435-H437 VanDerWaalsContact C-N 3.31Å; H437-A439 VanDerWaalsContact C-N 3.33Å; H437-A439 PolarHBondContact O-N 3.48Å; H437-F440 CarbonylContact O-C 3.57Å; H437-F440 WeakPolarHBondContact O-CA 3.48Å; H437-F440 WeakPolarHBondContact O-CB 3.38Å; H437-F440 PolarHBondContact O-N 3.01Å; H437-F440 VanDerWaalsContact O-N 3.09Å; H437-E441 VanDerWaalsContact CD2-CD 3.46Å; H437-E441 IonicContact CD2-OE1 3.59Å; H437-E441 PolarHBondContact CD2-OE1 3.39Å; H437-E441 IonicContact CD2-OE2 3.07Å; H437-E441 IonicContact NE2-OE1 3.59Å; H437-E441 PolarHBondContact NE2-OE1 3.4Å; H437-E441 PolarHBondContact O-N 3.11Å; H437-T490 PolarHBondContact CE1-O 3Å; H437-T490 PolarHBondContact NE2-O 2.86Å; H437-L497 HydrophobicContact CB-CD1 3.74Å
438	E	95.8	Very high	94.6	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-42.4	172.7	-173	-177	-172.9	0	0	111.8	L434 F440 E441 S442	L434-E438 PolarHBondContact O-N 3.17Å; E438-F440 VanDerWaalsContact C-N 3.31Å; E438-F440 PolarHBondContact O-N 3.22Å; E438-E441 PolarHBondContact O-N 3.21Å; E438-S442 PolarHBondContact O-N 2.92Å
439	A	94.9	Very high	94.8	Very high	64 Å²	64	63.7 Å²	63.7	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-38.1	173.9	0	0	0	0	0	112.1	K435 K436 H437 S442 D443	K435-A439 PolarHBondContact O-N 2.98Å; K435-A439 VanDerWaalsContact O-N 3.16Å; K436-A439 PolarHBondContact O-N 3.44Å; H437-A439 VanDerWaalsContact C-N 3.33Å; H437-A439 PolarHBondContact O-N 3.48Å; A439-S442 PolarHBondContact O-N 3.13Å; A439-D443 PolarHBondContact O-N 3.01Å; A439-D443 VanDerWaalsContact O-N 3.08Å
440	F	96.3	Very high	94.8	Very high	16 Å²	16	62.1 Å²	62.1	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-40.3	174.5	174.7	-98.3	0	0	0	112.3	K413 M416 L417 K436 H437 E438 D443 L444 T490	K413-F440 HydrophobicContact CD-CE2 3.87Å; K413-F440 HydrophobicContact CG-CE2 4.43Å; M416-F440 HydrophobicContact CE-CD1 4.5Å; M416-F440 HydrophobicContact CE-CD2 3.9Å; M416-F440 HydrophobicContact CE-CE2 4.08Å; M416-F440 HydrophobicContact CE-CG 4.12Å; M416-F440 HydrophobicContact CE-CZ 4.44Å; L417-F440 HydrophobicContact CD1-CE1 4.04Å; L417-F440 HydrophobicContact CD1-CZ 4.19Å; L417-F440 HydrophobicContact CD2-CD1 4.17Å; L417-F440 HydrophobicContact CD2-CE1 3.77Å; L417-F440 HydrophobicContact CD2-CZ 4.41Å; L417-F440 HydrophobicContact CG-CE1 4.24Å; L417-F440 HydrophobicContact CG-CZ 4.46Å; K436-F440 PolarHBondContact O-N 3.46Å; H437-F440 CarbonylContact O-C 3.57Å; H437-F440 WeakPolarHBondContact O-CA 3.48Å; H437-F440 WeakPolarHBondContact O-CB 3.38Å; H437-F440 PolarHBondContact O-N 3.01Å; H437-F440 VanDerWaalsContact O-N 3.09Å; E438-F440 VanDerWaalsContact C-N 3.31Å; E438-F440 PolarHBondContact O-N 3.22Å; F440-D443 WeakPolarHBondContact O-CB 3.34Å; F440-D443 PolarHBondContact O-N 2.77Å; F440-L444 HydrophobicContact CE1-CD2 4.48Å; F440-L444 WeakPolarHBondContact O-CB 3.46Å; F440-L444 PolarHBondContact O-N 2.92Å; F440-T490 HydrophobicContact CD1-CG2 4.22Å; F440-T490 HydrophobicContact CE1-CG2 4.12Å
441	E	96.1	Very high	94.9	Very high	31 Å²	31	62.5 Å²	62.5	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-36.4	176.6	-75.9	167	150	0	0	112.7	H437 E438 L444 A445 T490 R494	H437-E441 VanDerWaalsContact CD2-CD 3.46Å; H437-E441 IonicContact CD2-OE1 3.59Å; H437-E441 PolarHBondContact CD2-OE1 3.39Å; H437-E441 IonicContact CD2-OE2 3.07Å; H437-E441 IonicContact NE2-OE1 3.59Å; H437-E441 PolarHBondContact NE2-OE1 3.4Å; H437-E441 PolarHBondContact O-N 3.11Å; E438-E441 PolarHBondContact O-N 3.21Å; E441-L444 PolarHBondContact O-N 3.44Å; E441-A445 WeakPolarHBondContact O-CB 3.42Å; E441-A445 PolarHBondContact O-N 2.86Å; E441-T490 HydrophobicContact CG-CG2 3.41Å; E441-T490 VanDerWaalsContact CG-CG2 3.41Å; E441-R494 IonicContact OE1-CZ 3.67Å; E441-R494 IonicContact OE1-NE 2.65Å; E441-R494 PolarHBondContact OE1-NE 3.05Å; E441-R494 IonicContact OE1-NH2 3.56Å; E441-R494 IonicContact OE2-CZ 3.54Å; E441-R494 VanDerWaalsContact OE2-CZ 3.24Å; E441-R494 IonicContact OE2-NE 2.69Å; E441-R494 PolarHBondContact OE2-NE 2.92Å; E441-R494 IonicContact OE2-NH2 2.67Å; E441-R494 PolarHBondContact OE2-NH2 3.19Å
442	S	95.4	Very high	95	Very high	85 Å²	85	63.6 Å²	63.6	59%	0.594	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-41.2	171.3	-175.8	0	0	0	0	112	E438 A439 A445 A446	E438-S442 PolarHBondContact O-N 2.92Å; A439-S442 PolarHBondContact O-N 3.13Å; S442-A445 PolarHBondContact O-N 3.24Å; S442-A446 PolarHBondContact O-N 3.31Å
443	D	94	Very high	95.1	Very high	64 Å²	64	64.2 Å²	64.2	34%	0.342	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175.3	-171.1	54.3	0	0	0	111.1	W409 A439 F440 A445 A446 H447	W409-D443 WeakPolarHBondContact CZ2-OD2 3.28Å; W409-D443 PolarHBondContact NE1-OD2 3.32Å; A439-D443 PolarHBondContact O-N 3.01Å; A439-D443 VanDerWaalsContact O-N 3.08Å; F440-D443 WeakPolarHBondContact O-CB 3.34Å; F440-D443 PolarHBondContact O-N 2.77Å; D443-A445 PolarHBondContact O-N 3.5Å; D443-A446 PolarHBondContact O-N 3.19Å; D443-H447 PolarHBondContact O-CD2 2.84Å; D443-H447 PolarHBondContact O-N 3.49Å; D443-H447 IonicContact OD1-NE2 2.71Å
444	L	94.4	Very high	95.2	Very high	18 Å²	18	62.7 Å²	62.7	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-48.5	174	-175.8	69.6	0	0	0	110.8	W409 F440 E441 A446 H447 Q448 W483 T490	W409-L444 HydrophobicContact CH2-CD1 3.64Å; W409-L444 HydrophobicContact CZ3-CD1 4.28Å; F440-L444 HydrophobicContact CE1-CD2 4.48Å; F440-L444 WeakPolarHBondContact O-CB 3.46Å; F440-L444 PolarHBondContact O-N 2.92Å; E441-L444 PolarHBondContact O-N 3.44Å; L444-A446 VanDerWaalsContact C-N 3.3Å; L444-A446 PolarHBondContact O-N 3.31Å; L444-H447 PolarHBondContact O-N 3.11Å; L444-Q448 PolarHBondContact O-N 3.45Å; L444-W483 HydrophobicContact CD1-CE3 4.22Å; L444-W483 HydrophobicContact CD1-CH2 3.51Å; L444-W483 HydrophobicContact CD1-CZ2 4.05Å; L444-W483 HydrophobicContact CD1-CZ3 3.6Å; L444-W483 HydrophobicContact CG-CH2 4.11Å; L444-W483 HydrophobicContact CG-CZ2 4.36Å; L444-W483 WeakPolarHBondContact O-CH2 3.34Å; L444-T490 HydrophobicContact CD2-CG2 4.15Å
445	A	93.8	Very high	95.2	Very high	67 Å²	67	62.7 Å²	62.7	55%	0.554	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-38	178.5	0	0	0	0	0	112.8	E441 S442 D443 H447 Q448	E441-A445 WeakPolarHBondContact O-CB 3.42Å; E441-A445 PolarHBondContact O-N 2.86Å; S442-A445 PolarHBondContact O-N 3.24Å; D443-A445 PolarHBondContact O-N 3.5Å; A445-H447 PolarHBondContact O-N 3.47Å; A445-Q448 VanDerWaalsContact O-CB 3.28Å; A445-Q448 WeakPolarHBondContact O-CB 3.37Å; A445-Q448 PolarHBondContact O-N 2.89Å
446	A	93.2	Very high	95.3	Very high	71 Å²	71	58 Å²	58	59%	0.587	33%	0.331	S	S	*	.	H	α-helix	trans	-66.4	-21.3	176.8	0	0	0	0	0	113.4	S442 D443 L444	S442-A446 PolarHBondContact O-N 3.31Å; D443-A446 PolarHBondContact O-N 3.19Å; L444-A446 VanDerWaalsContact C-N 3.3Å; L444-A446 PolarHBondContact O-N 3.31Å
447	H	94.3	Very high	95.4	Very high	17 Å²	17	51.3 Å²	51.3	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-89.1	-8.3	178.8	-82.4	-121.3	0	0	0	113.9	W409 D443 L444 A445 D449 R450 V451 W483	W409-H447 AromaticContact CD1-CE1 3.25Å; W409-H447 AromaticContact CD1-ND1 3.97Å; W409-H447 AromaticContact CD1-NE2 3.84Å; W409-H447 AromaticContact CD2-CE1 3.5Å; W409-H447 AromaticContact CD2-ND1 3.39Å; W409-H447 AromaticContact CE2-CE1 3.53Å; W409-H447 AromaticContact CE2-CG 3.94Å; W409-H447 AromaticContact CE2-ND1 3.58Å; W409-H447 AromaticContact CE2-NE2 3.93Å; W409-H447 AromaticContact CE3-ND1 3.76Å; W409-H447 AromaticContact CG-CE1 3.35Å; W409-H447 AromaticContact CG-ND1 3.68Å; W409-H447 HydrophobicContact CH2-CB 4.36Å; W409-H447 HydrophobicContact CZ2-CB 4.46Å; W409-H447 AromaticContact NE1-CE1 3.32Å; W409-H447 PolarHBondContact NE1-CE1 2.95Å; W409-H447 VanDerWaalsContact NE1-CE1 3.32Å; W409-H447 AromaticContact NE1-ND1 3.87Å; W409-H447 AromaticContact NE1-NE2 3.55Å; D443-H447 PolarHBondContact O-CD2 2.84Å; D443-H447 PolarHBondContact O-N 3.49Å; D443-H447 IonicContact OD1-NE2 2.71Å; L444-H447 PolarHBondContact O-N 3.11Å; A445-H447 PolarHBondContact O-N 3.47Å; H447-D449 PolarHBondContact O-N 3.48Å; H447-R450 VanDerWaalsContact CE1-CZ 3.47Å; H447-R450 PolarHBondContact CE1-NH1 2.88Å; H447-R450 PolarHBondContact CE1-NH2 3.37Å; H447-R450 PolarHBondContact NE2-NH2 2.98Å; H447-R450 WeakPolarHBondContact O-CB 3.43Å; H447-R450 PolarHBondContact O-N 2.98Å; H447-R450 VanDerWaalsContact O-N 3.16Å; H447-V451 PolarHBondContact O-N 2.96Å; H447-W483 HydrophobicContact CB-CH2 3.62Å; H447-W483 HydrophobicContact CB-CZ3 3.99Å
448	Q	95.3	Very high	95.4	Very high	75 Å²	75	51 Å²	51	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-56.3	-51.4	178.8	179.2	63.6	30.6	0	0	112.7	L444 A445 R450 V451 E452 W483	L444-Q448 PolarHBondContact O-N 3.45Å; A445-Q448 VanDerWaalsContact O-CB 3.28Å; A445-Q448 WeakPolarHBondContact O-CB 3.37Å; A445-Q448 PolarHBondContact O-N 2.89Å; Q448-R450 PolarHBondContact O-N 3.47Å; Q448-R450 VanDerWaalsContact O-N 3.12Å; Q448-V451 PolarHBondContact O-N 3.31Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.38Å; Q448-E452 PolarHBondContact NE2-OE1 3.42Å; Q448-E452 PolarHBondContact O-N 3.15Å; Q448-E452 VanDerWaalsContact O-N 3.12Å; Q448-W483 HydrophobicContact CB-CZ2 4.15Å; Q448-W483 VanDerWaalsContact OE1-CE2 3.3Å
449	D	94.1	Very high	95.4	Very high	92 Å²	92	50.7 Å²	50.7	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-56.6	-31.3	179	167.9	64.5	0	0	0	112.2	H447 Q453	H447-D449 PolarHBondContact O-N 3.48Å; D449-Q453 WeakPolarHBondContact O-CB 3.21Å; D449-Q453 VanDerWaalsContact O-CG 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.42Å; D449-Q453 PolarHBondContact O-N 3.45Å; D449-Q453 PolarHBondContact OD1-NE2 2.96Å; D449-Q453 PolarHBondContact OD2-NE2 3.32Å
450	R	94.5	Very high	95.4	Very high	66 Å²	66	50 Å²	50	25%	0.249	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-41.1	177.3	-166.1	178.3	-51.2	167	14.2	112	H447 Q448 Q453 I454	H447-R450 VanDerWaalsContact CE1-CZ 3.47Å; H447-R450 PolarHBondContact CE1-NH1 2.88Å; H447-R450 PolarHBondContact CE1-NH2 3.37Å; H447-R450 PolarHBondContact NE2-NH2 2.98Å; H447-R450 WeakPolarHBondContact O-CB 3.43Å; H447-R450 PolarHBondContact O-N 2.98Å; H447-R450 VanDerWaalsContact O-N 3.16Å; Q448-R450 PolarHBondContact O-N 3.47Å; Q448-R450 VanDerWaalsContact O-N 3.12Å; R450-Q453 PolarHBondContact O-N 2.95Å; R450-I454 HydrophobicContact CG-CD1 4.32Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.26Å; R450-I454 PolarHBondContact O-N 3.37Å
451	V	96.4	Very high	95.4	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-43.7	177.9	179.2	0	0	0	0	109.9	H406 H447 Q448 Q453 I454 A455 W483	H406-V451 WeakPolarHBondContact CE1-CG2 3.41Å; H447-V451 PolarHBondContact O-N 2.96Å; Q448-V451 PolarHBondContact O-N 3.31Å; V451-Q453 VanDerWaalsContact C-N 3.33Å; V451-Q453 PolarHBondContact O-N 3Å; V451-I454 PolarHBondContact O-N 3.42Å; V451-I454 VanDerWaalsContact O-N 3.15Å; V451-A455 PolarHBondContact O-N 2.74Å; V451-W483 HydrophobicContact CG1-CG 4.35Å; V451-W483 HydrophobicContact CG2-CD2 3.76Å; V451-W483 HydrophobicContact CG2-CE3 3.77Å; V451-W483 HydrophobicContact CG2-CG 4.15Å; V451-W483 HydrophobicContact CG2-CH2 4.44Å; V451-W483 HydrophobicContact CG2-CZ2 4.48Å; V451-W483 HydrophobicContact CG2-CZ3 4.11Å
452	E	95.4	Very high	95.3	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-43	175.8	-68.7	174.6	-169.4	0	0	111.8	Q448 A455 A456	Q448-E452 WeakPolarHBondContact CG-OE1 3.38Å; Q448-E452 PolarHBondContact NE2-OE1 3.42Å; Q448-E452 PolarHBondContact O-N 3.15Å; Q448-E452 VanDerWaalsContact O-N 3.12Å; E452-A455 PolarHBondContact O-N 3.5Å; E452-A456 WeakPolarHBondContact O-CB 3.44Å; E452-A456 PolarHBondContact O-N 3Å
453	Q	96.6	Very high	95.3	Very high	63 Å²	63	52.5 Å²	52.5	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.5	-73.9	172.9	27	0	0	113	D449 R450 V451 A455 A456 I457	D449-Q453 WeakPolarHBondContact O-CB 3.21Å; D449-Q453 VanDerWaalsContact O-CG 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.42Å; D449-Q453 PolarHBondContact O-N 3.45Å; D449-Q453 PolarHBondContact OD1-NE2 2.96Å; D449-Q453 PolarHBondContact OD2-NE2 3.32Å; R450-Q453 PolarHBondContact O-N 2.95Å; V451-Q453 VanDerWaalsContact C-N 3.33Å; V451-Q453 PolarHBondContact O-N 3Å; Q453-A455 VanDerWaalsContact C-N 3.34Å; Q453-A456 PolarHBondContact O-N 3.39Å; Q453-I457 WeakPolarHBondContact O-CB 3.32Å; Q453-I457 WeakPolarHBondContact O-CD1 3.44Å; Q453-I457 WeakPolarHBondContact O-CG1 3.25Å; Q453-I457 PolarHBondContact O-N 2.86Å
454	I	97.3	Very high	95.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-46	176.1	-71.9	163.9	0	0	0	109.9	F399 K402 H406 R450 V451 I457 A458 I479	F399-I454 HydrophobicContact CD2-CG2 4.03Å; F399-I454 HydrophobicContact CE2-CG2 3.58Å; F399-I454 HydrophobicContact CZ-CG2 4.49Å; K402-I454 HydrophobicContact CB-CD1 4.23Å; K402-I454 HydrophobicContact CB-CG1 3.79Å; H406-I454 HydrophobicContact CB-CD1 3.83Å; R450-I454 HydrophobicContact CG-CD1 4.32Å; R450-I454 VanDerWaalsContact O-CG1 3.26Å; R450-I454 WeakPolarHBondContact O-CG1 3.26Å; R450-I454 PolarHBondContact O-N 3.37Å; V451-I454 PolarHBondContact O-N 3.42Å; V451-I454 VanDerWaalsContact O-N 3.15Å; I454-I457 PolarHBondContact O-N 3.25Å; I454-A458 WeakPolarHBondContact O-CB 3.4Å; I454-A458 PolarHBondContact O-N 3.24Å; I454-I479 HydrophobicContact CG2-CD1 4.41Å
455	A	96.3	Very high	95.1	Very high	36 Å²	36	57.2 Å²	57.2	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.5	0	0	0	0	0	112.4	V451 E452 Q453 I457 A458 Q459	V451-A455 PolarHBondContact O-N 2.74Å; E452-A455 PolarHBondContact O-N 3.5Å; Q453-A455 VanDerWaalsContact C-N 3.34Å; A455-I457 PolarHBondContact O-N 3.3Å; A455-A458 PolarHBondContact O-N 3.41Å; A455-Q459 PolarHBondContact O-N 3.04Å
456	A	96.7	Very high	95.1	Very high	55 Å²	55	54.7 Å²	54.7	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-42.2	178	0	0	0	0	0	112.4	E452 Q453 Q459 E460	E452-A456 WeakPolarHBondContact O-CB 3.44Å; E452-A456 PolarHBondContact O-N 3Å; Q453-A456 PolarHBondContact O-N 3.39Å; A456-Q459 PolarHBondContact O-N 3.15Å; A456-E460 PolarHBondContact O-N 3.32Å
457	I	96.7	Very high	94.9	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-41.7	176.4	-66.2	165.6	0	0	0	110.7	L395 K398 F399 K402 Q453 I454 A455 Q459 E460 L461	L395-I457 HydrophobicContact CB-CG2 4.2Å; L395-I457 HydrophobicContact CD2-CG2 4.23Å; L395-I457 WeakPolarHBondContact O-CG2 3.35Å; K398-I457 HydrophobicContact CD-CD1 3.92Å; K398-I457 HydrophobicContact CG-CD1 3.94Å; F399-I457 HydrophobicContact CB-CG2 3.87Å; K402-I457 HydrophobicContact CD-CD1 3.84Å; Q453-I457 WeakPolarHBondContact O-CB 3.32Å; Q453-I457 WeakPolarHBondContact O-CD1 3.44Å; Q453-I457 WeakPolarHBondContact O-CG1 3.25Å; Q453-I457 PolarHBondContact O-N 2.86Å; I454-I457 PolarHBondContact O-N 3.25Å; A455-I457 PolarHBondContact O-N 3.3Å; I457-Q459 VanDerWaalsContact C-N 3.32Å; I457-Q459 PolarHBondContact O-N 2.71Å; I457-E460 PolarHBondContact O-N 2.99Å; I457-L461 HydrophobicContact CG2-CD1 4.15Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.5Å
458	A	95.9	Very high	94.9	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-40.9	176.2	0	0	0	0	0	111.6	F399 I454 A455 L461 N462 V472 C476	F399-A458 HydrophobicContact CD2-CB 4.23Å; F399-A458 HydrophobicContact CE2-CB 3.95Å; I454-A458 WeakPolarHBondContact O-CB 3.4Å; I454-A458 PolarHBondContact O-N 3.24Å; A455-A458 PolarHBondContact O-N 3.41Å; A458-L461 PolarHBondContact O-N 3.42Å; A458-N462 PolarHBondContact O-N 3.38Å; A458-N462 VanDerWaalsContact O-N 3.15Å; A458-N462 PolarHBondContact O-ND2 2.91Å; A458-V472 HydrophobicContact CB-CG1 3.79Å; A458-C476 HydrophobicContact CB-CB 4.11Å
459	Q	95.4	Very high	94.8	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-46.8	175	-174.2	-179.7	-22.4	0	0	111.7	A455 A456 I457 L461 N462 E463	A455-Q459 PolarHBondContact O-N 3.04Å; A456-Q459 PolarHBondContact O-N 3.15Å; I457-Q459 VanDerWaalsContact C-N 3.32Å; I457-Q459 PolarHBondContact O-N 2.71Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 3.5Å; Q459-N462 WeakPolarHBondContact O-CB 3.49Å; Q459-N462 PolarHBondContact O-N 2.91Å; Q459-E463 PolarHBondContact NE2-OE1 3.45Å; Q459-E463 PolarHBondContact O-N 3.21Å
460	E	96.2	Very high	94.9	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-37.5	177.7	-169	-178.7	169.1	0	0	112.1	R391 L395 A456 I457 N462 E463 L464	R391-E460 IonicContact CZ-OE1 2.7Å; R391-E460 IonicContact NE-OE1 3.55Å; R391-E460 PolarHBondContact NE-OE1 2.89Å; R391-E460 IonicContact NH2-OE1 3.97Å; R391-E460 PolarHBondContact NH2-OE1 3.44Å; L395-E460 HydrophobicContact CD1-CB 4.35Å; L395-E460 VanDerWaalsContact CD1-CD 3.45Å; L395-E460 HydrophobicContact CD1-CG 3.78Å; L395-E460 WeakPolarHBondContact CD1-OE1 3.41Å; A456-E460 PolarHBondContact O-N 3.32Å; I457-E460 PolarHBondContact O-N 2.99Å; E460-N462 VanDerWaalsContact C-N 3.31Å; E460-N462 PolarHBondContact O-N 2.66Å; E460-E463 PolarHBondContact O-N 2.87Å; E460-L464 HydrophobicContact CG-CD1 4.36Å; E460-L464 WeakPolarHBondContact O-CG 3.32Å; E460-L464 PolarHBondContact O-N 3.01Å; E460-L464 VanDerWaalsContact O-N 3.13Å
461	L	95.5	Very high	94.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-36.5	173.2	-77.6	167	0	0	0	112.6	L392 L395 A396 F399 I457 A458 Q459 Y466 V472	L392-L461 HydrophobicContact CD2-CD2 3.72Å; L395-L461 HydrophobicContact CB-CD2 3.7Å; L395-L461 HydrophobicContact CB-CG 3.99Å; A396-L461 HydrophobicContact CB-CD2 4.25Å; F399-L461 HydrophobicContact CB-CD1 4.16Å; I457-L461 HydrophobicContact CG2-CD1 4.15Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.5Å; A458-L461 PolarHBondContact O-N 3.42Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-L461 PolarHBondContact O-N 3.5Å; L461-Y466 HydrophobicContact CD2-CD1 4.2Å; L461-Y466 HydrophobicContact CD2-CD2 4.3Å; L461-Y466 HydrophobicContact CD2-CG 3.96Å; L461-Y466 VanDerWaalsContact O-CB 3.24Å; L461-Y466 WeakPolarHBondContact O-CB 3.34Å; L461-Y466 PolarHBondContact O-N 3.03Å; L461-V472 HydrophobicContact CD1-CG1 4.05Å; L461-V472 HydrophobicContact CD1-CG2 4.47Å
462	N	94.1	Very high	94.9	Very high	54 Å²	54	57.4 Å²	57.4	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-44.6	173.9	-73	-68	0	0	0	112	A458 Q459 E460 L464 D465 S469 N473	A458-N462 PolarHBondContact O-N 3.38Å; A458-N462 VanDerWaalsContact O-N 3.15Å; A458-N462 PolarHBondContact O-ND2 2.91Å; Q459-N462 WeakPolarHBondContact O-CB 3.49Å; Q459-N462 PolarHBondContact O-N 2.91Å; E460-N462 VanDerWaalsContact C-N 3.31Å; E460-N462 PolarHBondContact O-N 2.66Å; N462-L464 PolarHBondContact O-N 2.74Å; N462-D465 PolarHBondContact O-N 3.31Å; N462-S469 WeakPolarHBondContact OD1-CB 3.35Å; N462-N473 PolarHBondContact ND2-ND2 3.25Å; N462-N473 PolarHBondContact ND2-OD1 2.95Å; N462-N473 PolarHBondContact OD1-ND2 3.48Å
463	E	94.6	Very high	95	Very high	131 Å²	131	55.1 Å²	55.1	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-25.9	179.7	-70.7	174.2	-170.6	0	0	112.4	Q459 E460	Q459-E463 PolarHBondContact NE2-OE1 3.45Å; Q459-E463 PolarHBondContact O-N 3.21Å; E460-E463 PolarHBondContact O-N 2.87Å
464	L	93.6	Very high	95	Very high	44 Å²	44	54.7 Å²	54.7	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.7	175.6	-66.1	174.8	0	0	0	113.5	R388 R391 L392 L395 E460 N462 Y466	R388-L464 HydrophobicContact CG-CD2 4.37Å; R388-L464 PolarHBondContact NH1-O 3.14Å; R391-L464 HydrophobicContact CG-CD1 4.22Å; L392-L464 HydrophobicContact CD2-CB 3.48Å; L392-L464 VanDerWaalsContact CD2-CB 3.48Å; L392-L464 HydrophobicContact CD2-CD1 4.01Å; L392-L464 HydrophobicContact CD2-CG 4.41Å; L392-L464 HydrophobicContact CG-CB 4.12Å; L392-L464 HydrophobicContact CG-CD1 4.4Å; L395-L464 HydrophobicContact CD1-CD1 3.99Å; E460-L464 HydrophobicContact CG-CD1 4.36Å; E460-L464 WeakPolarHBondContact O-CG 3.32Å; E460-L464 PolarHBondContact O-N 3.01Å; E460-L464 VanDerWaalsContact O-N 3.13Å; N462-L464 PolarHBondContact O-N 2.74Å; L464-Y466 PolarHBondContact O-N 3.47Å
465	D	91.2	Very high	95	Very high	137 Å²	137	57.8 Å²	57.8	73%	0.733	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	47.8	179.8	-65.1	-47	0	0	0	113.5	N462	N462-D465 PolarHBondContact O-N 3.31Å
466	Y	93.3	Very high	95.1	Very high	14 Å²	14	56.7 Å²	56.7	6%	0.055	31%	0.305	C	S	.	.			trans	-63	137.1	175.4	-177.1	-120.6	0	0	0	111.8	L392 A396 L461 L464 D468 S469 V472	L392-Y466 HydrophobicContact CB-CD2 4.19Å; L392-Y466 HydrophobicContact CD1-CD2 4.34Å; L392-Y466 HydrophobicContact CD2-CD2 3.95Å; L392-Y466 HydrophobicContact CD2-CG 4.19Å; L392-Y466 HydrophobicContact CG-CD2 4.41Å; A396-Y466 HydrophobicContact CB-CE1 4.13Å; A396-Y466 HydrophobicContact CB-CE2 4.03Å; A396-Y466 WeakPolarHBondContact CB-OH 3.48Å; L461-Y466 HydrophobicContact CD2-CD1 4.2Å; L461-Y466 HydrophobicContact CD2-CD2 4.3Å; L461-Y466 HydrophobicContact CD2-CG 3.96Å; L461-Y466 VanDerWaalsContact O-CB 3.24Å; L461-Y466 WeakPolarHBondContact O-CB 3.34Å; L461-Y466 PolarHBondContact O-N 3.03Å; L464-Y466 PolarHBondContact O-N 3.47Å; Y466-D468 VanDerWaalsContact C-N 3.3Å; Y466-D468 HydrophobicContact CD1-CB 4.21Å; Y466-D468 HydrophobicContact CE1-CB 3.64Å; Y466-D468 PolarHBondContact O-N 3.5Å; Y466-S469 WeakPolarHBondContact CB-OG 3.38Å; Y466-S469 VanDerWaalsContact O-CB 3.26Å; Y466-S469 WeakPolarHBondContact O-CB 3.28Å; Y466-S469 PolarHBondContact O-N 3.12Å; Y466-S469 PolarHBondContact O-OG 3.16Å; Y466-V472 HydrophobicContact CD1-CG2 4.33Å; Y466-V472 HydrophobicContact CE1-CG2 4.11Å
467	Y	89.9	Confident	95.1	Very high	148 Å²	148	59.3 Å²	59.3	58%	0.58	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.7	-172.7	68.9	-93.5	0	0	0	113.8
468	D	93.2	Very high	95.1	Very high	63 Å²	63	65.9 Å²	65.9	34%	0.337	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	21.9	-179.6	-164.8	38.4	0	0	0	112.5	Y466 P470 S471 V472	Y466-D468 VanDerWaalsContact C-N 3.3Å; Y466-D468 HydrophobicContact CD1-CB 4.21Å; Y466-D468 HydrophobicContact CE1-CB 3.64Å; Y466-D468 PolarHBondContact O-N 3.5Å; D468-P470 VanDerWaalsContact C-N 3.29Å; D468-S471 PolarHBondContact O-N 3.12Å; D468-S471 VanDerWaalsContact O-N 3.11Å; D468-S471 WeakPolarHBondContact OD1-CB 3.36Å; D468-S471 PolarHBondContact OD1-OG 3.21Å; D468-S471 WeakPolarHBondContact OD2-CB 3.17Å; D468-V472 PolarHBondContact O-N 3.26Å; D468-V472 VanDerWaalsContact O-N 3.11Å
469	S	94.7	Very high	95.1	Very high	11 Å²	11	65.9 Å²	65.9	8%	0.077	34%	0.336	C	S	.	.	H	α-helix	trans	-48.2	-41.8	172.2	-77.4	0	0	0	0	113.8	N462 Y466 S471 V472 N473	N462-S469 WeakPolarHBondContact OD1-CB 3.35Å; Y466-S469 WeakPolarHBondContact CB-OG 3.38Å; Y466-S469 VanDerWaalsContact O-CB 3.26Å; Y466-S469 WeakPolarHBondContact O-CB 3.28Å; Y466-S469 PolarHBondContact O-N 3.12Å; Y466-S469 PolarHBondContact O-OG 3.16Å; S469-S471 VanDerWaalsContact C-N 3.34Å; S469-S471 PolarHBondContact O-N 2.82Å; S469-V472 PolarHBondContact O-N 3.28Å; S469-N473 WeakPolarHBondContact O-CB 3.5Å; S469-N473 PolarHBondContact O-N 3.41Å; S469-N473 PolarHBondContact O-ND2 2.72Å
470	P	95.1	Very high	95.2	Very high	94 Å²	94	61.9 Å²	61.9	61%	0.61	32%	0.32	S	S	*	.	H	α-helix	trans	-58.3	-41.2	177.5	-26.1	36	0	0	0	113.7	D468 A474	D468-P470 VanDerWaalsContact C-N 3.29Å; P470-A474 WeakPolarHBondContact O-CB 3.48Å; P470-A474 PolarHBondContact O-N 3.24Å
471	S	95.6	Very high	95.2	Very high	62 Å²	62	63.6 Å²	63.6	43%	0.434	33%	0.331	S	S	.	.	H	α-helix	trans	-72.1	-41.2	179	-55	0	0	0	0	111.7	D468 S469 A474 R475	D468-S471 PolarHBondContact O-N 3.12Å; D468-S471 VanDerWaalsContact O-N 3.11Å; D468-S471 WeakPolarHBondContact OD1-CB 3.36Å; D468-S471 PolarHBondContact OD1-OG 3.21Å; D468-S471 WeakPolarHBondContact OD2-CB 3.17Å; S469-S471 VanDerWaalsContact C-N 3.34Å; S469-S471 PolarHBondContact O-N 2.82Å; S471-A474 PolarHBondContact O-N 3.05Å; S471-R475 WeakPolarHBondContact O-CB 3.47Å; S471-R475 PolarHBondContact O-N 3.25Å
472	V	96.8	Very high	95.2	Very high	10 Å²	10	66.3 Å²	66.3	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-58.3	-47.5	174.4	169.5	0	0	0	0	110.4	F399 A458 L461 Y466 D468 S469 R475 C476	F399-V472 HydrophobicContact CD1-CG1 4.01Å; F399-V472 HydrophobicContact CD1-CG2 4.14Å; F399-V472 HydrophobicContact CD2-CG1 4.04Å; F399-V472 HydrophobicContact CE1-CB 4.15Å; F399-V472 HydrophobicContact CE1-CG1 3.76Å; F399-V472 HydrophobicContact CE1-CG2 4.08Å; F399-V472 HydrophobicContact CE2-CG1 3.78Å; F399-V472 HydrophobicContact CG-CG1 4.15Å; F399-V472 HydrophobicContact CZ-CB 4.34Å; F399-V472 HydrophobicContact CZ-CG1 3.65Å; F399-V472 WeakPolarHBondContact CZ-O 3.28Å; A458-V472 HydrophobicContact CB-CG1 3.79Å; L461-V472 HydrophobicContact CD1-CG1 4.05Å; L461-V472 HydrophobicContact CD1-CG2 4.47Å; Y466-V472 HydrophobicContact CD1-CG2 4.33Å; Y466-V472 HydrophobicContact CE1-CG2 4.11Å; D468-V472 PolarHBondContact O-N 3.26Å; D468-V472 VanDerWaalsContact O-N 3.11Å; S469-V472 PolarHBondContact O-N 3.28Å; V472-R475 PolarHBondContact O-N 2.92Å; V472-C476 WeakPolarHBondContact O-CB 3.37Å; V472-C476 PolarHBondContact O-N 3.28Å
473	N	96.1	Very high	95.4	Very high	60 Å²	60	64.8 Å²	64.8	32%	0.321	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-44.8	179.1	-68.9	-20	0	0	0	112.3	N462 S469 R475 C476 Q477	N462-N473 PolarHBondContact ND2-ND2 3.25Å; N462-N473 PolarHBondContact ND2-OD1 2.95Å; N462-N473 PolarHBondContact OD1-ND2 3.48Å; S469-N473 WeakPolarHBondContact O-CB 3.5Å; S469-N473 PolarHBondContact O-N 3.41Å; S469-N473 PolarHBondContact O-ND2 2.72Å; N473-R475 VanDerWaalsContact C-N 3.26Å; N473-R475 PolarHBondContact O-N 2.88Å; N473-C476 PolarHBondContact O-N 3.48Å; N473-Q477 WeakPolarHBondContact O-CB 3.43Å; N473-Q477 PolarHBondContact O-N 3.08Å
474	A	97.1	Very high	95.4	Very high	53 Å²	53	63.8 Å²	63.8	44%	0.438	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-37.4	176.9	0	0	0	0	0	111.9	P470 S471 K478	P470-A474 WeakPolarHBondContact O-CB 3.48Å; P470-A474 PolarHBondContact O-N 3.24Å; S471-A474 PolarHBondContact O-N 3.05Å; A474-K478 WeakPolarHBondContact O-CG 3.38Å; A474-K478 PolarHBondContact O-N 3.5Å
475	R	97.8	Very high	95.5	Very high	66 Å²	66	64.4 Å²	64.4	25%	0.249	34%	0.336	C	S	.	.	H	α-helix	trans	-71.9	-44.4	175.6	-170.7	177.5	-176	-171.1	0	112	F399 S404 E407 S471 V472 N473 Q477 K478 I479	F399-R475 HydrophobicContact CZ-CB 4.33Å; S404-R475 PolarHBondContact OG-NH2 3.22Å; E407-R475 VanDerWaalsContact CD-NH2 3.34Å; E407-R475 IonicContact OE1-CZ 3.27Å; E407-R475 IonicContact OE1-NE 2.7Å; E407-R475 PolarHBondContact OE1-NE 3.32Å; E407-R475 IonicContact OE1-NH2 3.98Å; E407-R475 PolarHBondContact OE1-NH2 2.83Å; E407-R475 IonicContact OE2-CZ 3.99Å; E407-R475 IonicContact OE2-NE 2.9Å; E407-R475 IonicContact OE2-NH2 3.19Å; E407-R475 PolarHBondContact OE2-NH2 3.43Å; S471-R475 WeakPolarHBondContact O-CB 3.47Å; S471-R475 PolarHBondContact O-N 3.25Å; V472-R475 PolarHBondContact O-N 2.92Å; N473-R475 VanDerWaalsContact C-N 3.26Å; N473-R475 PolarHBondContact O-N 2.88Å; R475-Q477 VanDerWaalsContact C-N 3.34Å; R475-Q477 PolarHBondContact O-N 2.98Å; R475-K478 PolarHBondContact O-N 3.42Å; R475-I479 HydrophobicContact CG-CD1 4.37Å; R475-I479 WeakPolarHBondContact O-CG1 3.47Å; R475-I479 PolarHBondContact O-N 3.03Å; R475-I479 VanDerWaalsContact O-N 3.07Å
476	C	97.6	Very high	95.7	Very high	13 Å²	13	57.9 Å²	57.9	9%	0.088	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-44.8	176.9	-170.7	0	0	0	0	111.4	F399 A458 V472 N473 K478 I479 C480	F399-C476 HydrophobicContact CE2-CB 4.14Å; F399-C476 HydrophobicContact CZ-CB 4.27Å; A458-C476 HydrophobicContact CB-CB 4.11Å; V472-C476 WeakPolarHBondContact O-CB 3.37Å; V472-C476 PolarHBondContact O-N 3.28Å; N473-C476 PolarHBondContact O-N 3.48Å; C476-K478 PolarHBondContact O-N 3.49Å; C476-I479 WeakPolarHBondContact O-CB 3.28Å; C476-I479 PolarHBondContact O-N 3.4Å; C476-I479 VanDerWaalsContact O-N 3.16Å; C476-C480 PolarHBondContact O-N 3.36Å; C476-C480 PolarHBondContact O-SG 3.28Å; C476-C480 VanDerWaalsContact O-SG 3.36Å
477	Q	96.9	Very high	95.8	Very high	110 Å²	110	58.8 Å²	58.8	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-45.9	177.4	-171.7	63.8	45.4	0	0	111.3	N473 R475 I479 C480 D481	N473-Q477 WeakPolarHBondContact O-CB 3.43Å; N473-Q477 PolarHBondContact O-N 3.08Å; R475-Q477 VanDerWaalsContact C-N 3.34Å; R475-Q477 PolarHBondContact O-N 2.98Å; Q477-I479 VanDerWaalsContact C-N 3.28Å; Q477-I479 PolarHBondContact O-N 2.79Å; Q477-C480 PolarHBondContact O-N 3.05Å; Q477-D481 PolarHBondContact NE2-OD1 3.5Å; Q477-D481 WeakPolarHBondContact O-CB 3.47Å; Q477-D481 PolarHBondContact O-N 3.23Å
478	K	96.7	Very high	96.1	Very high	149 Å²	149	54.1 Å²	54.1	65%	0.648	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-40.8	175.5	-75.1	174.5	-177.1	-179.7	0	112.6	A474 R475 C476 Q482	A474-K478 WeakPolarHBondContact O-CG 3.38Å; A474-K478 PolarHBondContact O-N 3.5Å; R475-K478 PolarHBondContact O-N 3.42Å; C476-K478 PolarHBondContact O-N 3.49Å; K478-Q482 VanDerWaalsContact O-CB 3.23Å; K478-Q482 WeakPolarHBondContact O-CB 3.43Å; K478-Q482 PolarHBondContact O-N 3.38Å
479	I	97.1	Very high	96.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-46.7	176.6	-72	169.6	0	0	0	110.5	A403 H406 E407 I454 R475 C476 Q477 Q482 W483	A403-I479 HydrophobicContact CB-CD1 3.79Å; H406-I479 VanDerWaalsContact CD2-CG2 3.46Å; H406-I479 WeakPolarHBondContact CD2-CG2 3.44Å; E407-I479 HydrophobicContact CG-CD1 4.29Å; E407-I479 HydrophobicContact CG-CG1 4.27Å; I454-I479 HydrophobicContact CG2-CD1 4.41Å; R475-I479 HydrophobicContact CG-CD1 4.37Å; R475-I479 WeakPolarHBondContact O-CG1 3.47Å; R475-I479 PolarHBondContact O-N 3.03Å; R475-I479 VanDerWaalsContact O-N 3.07Å; C476-I479 WeakPolarHBondContact O-CB 3.28Å; C476-I479 PolarHBondContact O-N 3.4Å; C476-I479 VanDerWaalsContact O-N 3.16Å; Q477-I479 VanDerWaalsContact C-N 3.28Å; Q477-I479 PolarHBondContact O-N 2.79Å; I479-Q482 PolarHBondContact O-N 2.82Å; I479-W483 WeakPolarHBondContact O-CB 3.23Å; I479-W483 PolarHBondContact O-N 3.46Å
480	C	96.4	Very high	96.3	Very high	31 Å²	31	52.1 Å²	52.1	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-46.4	177.6	-66	0	0	0	0	112	C476 Q477 Q482 W483 D484	C476-C480 PolarHBondContact O-N 3.36Å; C476-C480 PolarHBondContact O-SG 3.28Å; C476-C480 VanDerWaalsContact O-SG 3.36Å; Q477-C480 PolarHBondContact O-N 3.05Å; C480-Q482 VanDerWaalsContact C-N 3.31Å; C480-Q482 PolarHBondContact O-N 3.18Å; C480-W483 WeakPolarHBondContact O-CB 3.49Å; C480-W483 PolarHBondContact O-N 2.75Å; C480-W483 VanDerWaalsContact O-N 3.13Å; C480-D484 PolarHBondContact O-N 2.8Å
481	D	96.2	Very high	96.4	Very high	84 Å²	84	52 Å²	52	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-42.1	177.6	-65.4	-18.8	0	0	0	111.2	Q477 N485	Q477-D481 PolarHBondContact NE2-OD1 3.5Å; Q477-D481 WeakPolarHBondContact O-CB 3.47Å; Q477-D481 PolarHBondContact O-N 3.23Å; D481-N485 WeakPolarHBondContact O-CB 3.48Å; D481-N485 PolarHBondContact O-N 3.31Å
482	Q	96.3	Very high	96.4	Very high	56 Å²	56	55.8 Å²	55.8	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-66.6	-38.7	176.2	-171.7	179.8	21.4	0	0	111.6	K478 I479 C480 N485 L486	K478-Q482 VanDerWaalsContact O-CB 3.23Å; K478-Q482 WeakPolarHBondContact O-CB 3.43Å; K478-Q482 PolarHBondContact O-N 3.38Å; I479-Q482 PolarHBondContact O-N 2.82Å; C480-Q482 VanDerWaalsContact C-N 3.31Å; C480-Q482 PolarHBondContact O-N 3.18Å; Q482-N485 PolarHBondContact O-N 3.45Å; Q482-L486 HydrophobicContact CG-CD1 4.42Å; Q482-L486 WeakPolarHBondContact O-CB 3.44Å; Q482-L486 WeakPolarHBondContact O-CG 3.43Å; Q482-L486 PolarHBondContact O-N 2.85Å
483	W	97.1	Very high	96.3	Very high	23 Å²	23	56.3 Å²	56.3	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-47.2	176.9	-175.6	-102.3	0	0	0	112.2	H406 W409 L444 H447 Q448 V451 I479 C480 N485 L486 G487	H406-W483 AromaticContact CE1-CE3 3.55Å; H406-W483 AromaticContact CE1-CZ3 3.66Å; W409-W483 HydrophobicContact CH2-CZ3 4.06Å; W409-W483 HydrophobicContact CZ3-CE3 4.46Å; W409-W483 AromaticContact CZ3-CZ3 3.67Å; W409-W483 HydrophobicContact CZ3-CZ3 3.67Å; L444-W483 HydrophobicContact CD1-CE3 4.22Å; L444-W483 HydrophobicContact CD1-CH2 3.51Å; L444-W483 HydrophobicContact CD1-CZ2 4.05Å; L444-W483 HydrophobicContact CD1-CZ3 3.6Å; L444-W483 HydrophobicContact CG-CH2 4.11Å; L444-W483 HydrophobicContact CG-CZ2 4.36Å; L444-W483 WeakPolarHBondContact O-CH2 3.34Å; H447-W483 HydrophobicContact CB-CH2 3.62Å; H447-W483 HydrophobicContact CB-CZ3 3.99Å; Q448-W483 HydrophobicContact CB-CZ2 4.15Å; Q448-W483 VanDerWaalsContact OE1-CE2 3.3Å; V451-W483 HydrophobicContact CG1-CG 4.35Å; V451-W483 HydrophobicContact CG2-CD2 3.76Å; V451-W483 HydrophobicContact CG2-CE3 3.77Å; V451-W483 HydrophobicContact CG2-CG 4.15Å; V451-W483 HydrophobicContact CG2-CH2 4.44Å; V451-W483 HydrophobicContact CG2-CZ2 4.48Å; V451-W483 HydrophobicContact CG2-CZ3 4.11Å; I479-W483 WeakPolarHBondContact O-CB 3.23Å; I479-W483 PolarHBondContact O-N 3.46Å; C480-W483 WeakPolarHBondContact O-CB 3.49Å; C480-W483 PolarHBondContact O-N 2.75Å; C480-W483 VanDerWaalsContact O-N 3.13Å; W483-N485 VanDerWaalsContact C-N 3.31Å; W483-N485 PolarHBondContact O-N 2.85Å; W483-L486 WeakPolarHBondContact O-CB 3.49Å; W483-L486 PolarHBondContact O-N 3.22Å; W483-G487 PolarHBondContact O-N 2.83Å
484	D	95.2	Very high	96.3	Very high	110 Å²	110	56.9 Å²	56.9	59%	0.588	29%	0.293	S	S	*	.	H	α-helix	trans	-61.4	-41.6	176.4	-71	-17.4	0	0	0	111.1	C480 G487 A488	C480-D484 PolarHBondContact O-N 2.8Å; D484-G487 PolarHBondContact O-N 3.19Å; D484-A488 PolarHBondContact O-N 3.09Å
485	N	95.6	Very high	96.2	Very high	57 Å²	57	59.4 Å²	59.4	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-42.5	174.9	-175.6	48.3	0	0	0	112.3	E414 D481 Q482 W483 G487 A488 L489	E414-N485 PolarHBondContact OE1-ND2 3.49Å; E414-N485 PolarHBondContact OE2-ND2 3.16Å; D481-N485 WeakPolarHBondContact O-CB 3.48Å; D481-N485 PolarHBondContact O-N 3.31Å; Q482-N485 PolarHBondContact O-N 3.45Å; W483-N485 VanDerWaalsContact C-N 3.31Å; W483-N485 PolarHBondContact O-N 2.85Å; N485-G487 VanDerWaalsContact C-N 3.35Å; N485-A488 PolarHBondContact O-N 3.03Å; N485-L489 WeakPolarHBondContact O-CB 3.48Å; N485-L489 WeakPolarHBondContact O-CG 3.48Å; N485-L489 PolarHBondContact O-N 3.43Å
486	L	95.7	Very high	96	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-44.5	174.5	-82.2	171.4	0	0	0	111.3	T410 K413 E414 L417 Q482 W483 A488 L489 T490	T410-L486 HydrophobicContact CG2-CD1 3.68Å; K413-L486 HydrophobicContact CB-CD2 3.99Å; E414-L486 HydrophobicContact CB-CD2 4.44Å; E414-L486 HydrophobicContact CG-CD2 3.61Å; E414-L486 HydrophobicContact CG-CG 4.13Å; L417-L486 HydrophobicContact CD1-CD2 3.68Å; Q482-L486 HydrophobicContact CG-CD1 4.42Å; Q482-L486 WeakPolarHBondContact O-CB 3.44Å; Q482-L486 WeakPolarHBondContact O-CG 3.43Å; Q482-L486 PolarHBondContact O-N 2.85Å; W483-L486 WeakPolarHBondContact O-CB 3.49Å; W483-L486 PolarHBondContact O-N 3.22Å; L486-A488 PolarHBondContact O-N 3.44Å; L486-L489 PolarHBondContact O-N 3.16Å; L486-T490 VanDerWaalsContact O-CB 3.28Å; L486-T490 WeakPolarHBondContact O-CB 3.38Å; L486-T490 PolarHBondContact O-N 3.08Å; L486-T490 PolarHBondContact O-OG1 3.27Å
487	G	95.2	Very high	95.9	Very high	33 Å²	33	56.6 Å²	56.6	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-48.3	174.5	0	0	0	0	0	112	W483 D484 N485 L489 T490 Q491	W483-G487 PolarHBondContact O-N 2.83Å; D484-G487 PolarHBondContact O-N 3.19Å; N485-G487 VanDerWaalsContact C-N 3.35Å; G487-L489 PolarHBondContact O-N 2.88Å; G487-T490 PolarHBondContact O-N 3.47Å; G487-Q491 PolarHBondContact O-N 3.17Å
488	A	95.6	Very high	95.8	Very high	49 Å²	49	55 Å²	55	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-41.2	178.5	0	0	0	0	0	113.2	D484 N485 L486 K492	D484-A488 PolarHBondContact O-N 3.09Å; N485-A488 PolarHBondContact O-N 3.03Å; L486-A488 PolarHBondContact O-N 3.44Å; A488-K492 WeakPolarHBondContact O-CG 3.37Å; A488-K492 PolarHBondContact O-N 3.44Å
489	L	96.5	Very high	95.6	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-39	176.2	-74.5	174	0	0	0	111.7	E414 L417 R418 N485 L486 G487 K492 R493	E414-L489 HydrophobicContact CB-CD1 4.44Å; E414-L489 HydrophobicContact CG-CD1 4.1Å; L417-L489 HydrophobicContact CB-CB 4.24Å; L417-L489 HydrophobicContact CD1-CB 4.02Å; R418-L489 HydrophobicContact CG-CD1 4.47Å; R418-L489 HydrophobicContact CG-CD2 4.33Å; N485-L489 WeakPolarHBondContact O-CB 3.48Å; N485-L489 WeakPolarHBondContact O-CG 3.48Å; N485-L489 PolarHBondContact O-N 3.43Å; L486-L489 PolarHBondContact O-N 3.16Å; G487-L489 PolarHBondContact O-N 2.88Å; L489-K492 PolarHBondContact O-N 2.89Å; L489-R493 WeakPolarHBondContact O-CB 3.42Å; L489-R493 PolarHBondContact O-N 3.17Å
490	T	96.4	Very high	95.3	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-46.8	177.8	-58.5	0	0	0	0	110.8	L417 H437 F440 E441 L444 L486 G487 R493 R494	L417-T490 WeakPolarHBondContact CD1-OG1 3.23Å; H437-T490 PolarHBondContact CE1-O 3Å; H437-T490 PolarHBondContact NE2-O 2.86Å; F440-T490 HydrophobicContact CD1-CG2 4.22Å; F440-T490 HydrophobicContact CE1-CG2 4.12Å; E441-T490 HydrophobicContact CG-CG2 3.41Å; E441-T490 VanDerWaalsContact CG-CG2 3.41Å; L444-T490 HydrophobicContact CD2-CG2 4.15Å; L486-T490 VanDerWaalsContact O-CB 3.28Å; L486-T490 WeakPolarHBondContact O-CB 3.38Å; L486-T490 PolarHBondContact O-N 3.08Å; L486-T490 PolarHBondContact O-OG1 3.27Å; G487-T490 PolarHBondContact O-N 3.47Å; T490-R493 PolarHBondContact O-N 3.45Å; T490-R494 PolarHBondContact O-N 3.24Å
491	Q	96.1	Very high	95.2	Very high	91 Å²	91	56.6 Å²	56.6	43%	0.425	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-45.8	177.1	-175.1	59.9	23.4	0	0	112.1	G487 R493 R494 E495	G487-Q491 PolarHBondContact O-N 3.17Å; Q491-R493 VanDerWaalsContact C-N 3.29Å; Q491-R493 PolarHBondContact O-N 2.97Å; Q491-R494 WeakPolarHBondContact O-CB 3.43Å; Q491-R494 PolarHBondContact O-N 3.04Å; Q491-E495 PolarHBondContact NE2-OE1 2.9Å; Q491-E495 WeakPolarHBondContact O-CG 3.36Å; Q491-E495 PolarHBondContact O-N 3.49Å
492	K	95.4	Very high	95	Very high	141 Å²	141	59.7 Å²	59.7	61%	0.613	29%	0.291	S	S	*	.	H	α-helix	trans	-59.4	-39.9	175.4	-76.8	177.3	-179.3	174.8	0	112.3	A488 L489 A496	A488-K492 WeakPolarHBondContact O-CG 3.37Å; A488-K492 PolarHBondContact O-N 3.44Å; L489-K492 PolarHBondContact O-N 2.89Å; K492-A496 WeakPolarHBondContact O-CB 3.49Å; K492-A496 PolarHBondContact O-N 3.03Å; K492-A496 VanDerWaalsContact O-N 3.08Å
493	R	96.1	Very high	94.8	Very high	21 Å²	21	58.4 Å²	58.4	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-44.4	177.2	-177.5	177.8	177.7	77.2	3.8	111.2	L417 Q419 D421 L489 T490 Q491 E495 A496 L497	L417-R493 WeakPolarHBondContact O-CD 3.33Å; L417-R493 PolarHBondContact O-NH1 3.18Å; Q419-R493 PolarHBondContact O-NH1 2.75Å; D421-R493 VanDerWaalsContact CG-NH2 3.28Å; D421-R493 IonicContact OD1-CZ 3.54Å; D421-R493 IonicContact OD1-NH1 2.75Å; D421-R493 PolarHBondContact OD1-NH1 3.39Å; D421-R493 VanDerWaalsContact OD1-NH1 3.14Å; D421-R493 IonicContact OD1-NH2 3.41Å; D421-R493 PolarHBondContact OD1-NH2 3.15Å; D421-R493 IonicContact OD2-NH2 3.66Å; D421-R493 PolarHBondContact OD2-NH2 3.2Å; L489-R493 WeakPolarHBondContact O-CB 3.42Å; L489-R493 PolarHBondContact O-N 3.17Å; T490-R493 PolarHBondContact O-N 3.45Å; Q491-R493 VanDerWaalsContact C-N 3.29Å; Q491-R493 PolarHBondContact O-N 2.97Å; R493-E495 PolarHBondContact O-N 3.44Å; R493-A496 PolarHBondContact O-N 3.36Å; R493-L497 HydrophobicContact CG-CD1 3.96Å; R493-L497 HydrophobicContact CG-CG 4.27Å; R493-L497 WeakPolarHBondContact O-CB 3.14Å; R493-L497 VanDerWaalsContact O-CG 3.28Å; R493-L497 WeakPolarHBondContact O-CG 3.4Å; R493-L497 PolarHBondContact O-N 2.93Å
494	R	95.8	Very high	94.5	Very high	73 Å²	73	57.3 Å²	57.3	28%	0.275	28%	0.282	S	S	.	.	H	α-helix	trans	-54.8	-51.1	173.9	172.6	-176.4	-87.5	-101.6	12.4	111.2	E441 T490 Q491 A496 L497 E498	E441-R494 IonicContact OE1-CZ 3.67Å; E441-R494 IonicContact OE1-NE 2.65Å; E441-R494 PolarHBondContact OE1-NE 3.05Å; E441-R494 IonicContact OE1-NH2 3.56Å; E441-R494 IonicContact OE2-CZ 3.54Å; E441-R494 VanDerWaalsContact OE2-CZ 3.24Å; E441-R494 IonicContact OE2-NE 2.69Å; E441-R494 PolarHBondContact OE2-NE 2.92Å; E441-R494 IonicContact OE2-NH2 2.67Å; E441-R494 PolarHBondContact OE2-NH2 3.19Å; T490-R494 PolarHBondContact O-N 3.24Å; Q491-R494 WeakPolarHBondContact O-CB 3.43Å; Q491-R494 PolarHBondContact O-N 3.04Å; R494-A496 VanDerWaalsContact C-N 3.29Å; R494-A496 PolarHBondContact O-N 2.71Å; R494-L497 PolarHBondContact O-N 3.01Å; R494-L497 VanDerWaalsContact O-N 3.16Å; R494-E498 HydrophobicContact CG-CG 4.28Å; R494-E498 VanDerWaalsContact CG-OE1 3.22Å; R494-E498 WeakPolarHBondContact CG-OE1 3.42Å; R494-E498 IonicContact NH1-OE1 3.64Å; R494-E498 PolarHBondContact NH1-OE1 3.39Å; R494-E498 VanDerWaalsContact NH1-OE1 3.09Å; R494-E498 WeakPolarHBondContact O-CB 3.46Å; R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 3.28Å
495	E	95.4	Very high	94.4	Very high	106 Å²	106	56 Å²	56	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-39.3	178.9	-71.9	170.7	-169.3	0	0	112.3	Q491 R493 R499	Q491-E495 PolarHBondContact NE2-OE1 2.9Å; Q491-E495 WeakPolarHBondContact O-CG 3.36Å; Q491-E495 PolarHBondContact O-N 3.49Å; R493-E495 PolarHBondContact O-N 3.44Å; E495-R499 WeakPolarHBondContact O-CB 3.34Å; E495-R499 PolarHBondContact O-N 3.15Å
496	A	93.2	Very high	94.2	Very high	19 Å²	19	56.2 Å²	56.2	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-40.9	176.3	0	0	0	0	0	112.6	Y422 K492 R493 R494 T500	Y422-A496 HydrophobicContact CD2-CB 4.49Å; Y422-A496 HydrophobicContact CE1-CB 4.18Å; Y422-A496 HydrophobicContact CE2-CB 3.86Å; K492-A496 WeakPolarHBondContact O-CB 3.49Å; K492-A496 PolarHBondContact O-N 3.03Å; K492-A496 VanDerWaalsContact O-N 3.08Å; R493-A496 PolarHBondContact O-N 3.36Å; R494-A496 VanDerWaalsContact C-N 3.29Å; R494-A496 PolarHBondContact O-N 2.71Å; A496-T500 WeakPolarHBondContact O-CB 3.4Å; A496-T500 PolarHBondContact O-N 3.32Å; A496-T500 PolarHBondContact O-OG1 3.28Å
497	L	94.6	Very high	94	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-52.6	176.1	-72.3	170.1	0	0	0	111.1	Y422 I430 L433 L434 H437 R493 R494 R499 T500 E501	Y422-L497 HydrophobicContact CD1-CD2 4.24Å; Y422-L497 HydrophobicContact CG-CD2 4.16Å; I430-L497 HydrophobicContact CD1-CD2 3.49Å; I430-L497 VanDerWaalsContact CD1-CD2 3.49Å; L433-L497 HydrophobicContact CB-CD2 4.11Å; L434-L497 HydrophobicContact CD1-CB 3.9Å; L434-L497 HydrophobicContact CG-CB 4.25Å; H437-L497 HydrophobicContact CB-CD1 3.74Å; R493-L497 HydrophobicContact CG-CD1 3.96Å; R493-L497 HydrophobicContact CG-CG 4.27Å; R493-L497 WeakPolarHBondContact O-CB 3.14Å; R493-L497 VanDerWaalsContact O-CG 3.28Å; R493-L497 WeakPolarHBondContact O-CG 3.4Å; R493-L497 PolarHBondContact O-N 2.93Å; R494-L497 PolarHBondContact O-N 3.01Å; R494-L497 VanDerWaalsContact O-N 3.16Å; L497-R499 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 3.42Å; L497-T500 PolarHBondContact O-N 2.87Å; L497-T500 VanDerWaalsContact O-N 3.15Å; L497-E501 WeakPolarHBondContact O-CB 3.22Å; L497-E501 PolarHBondContact O-N 3.47Å
498	E	94.9	Very high	93.8	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-39.9	179.4	-70.7	174.4	-179.3	0	0	111.5	L434 R494 K502	L434-E498 HydrophobicContact CD1-CG 4.18Å; L434-E498 HydrophobicContact CD2-CG 4.37Å; R494-E498 HydrophobicContact CG-CG 4.28Å; R494-E498 VanDerWaalsContact CG-OE1 3.22Å; R494-E498 WeakPolarHBondContact CG-OE1 3.42Å; R494-E498 IonicContact NH1-OE1 3.64Å; R494-E498 PolarHBondContact NH1-OE1 3.39Å; R494-E498 VanDerWaalsContact NH1-OE1 3.09Å; R494-E498 WeakPolarHBondContact O-CB 3.46Å; R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 3.28Å; E498-K502 WeakPolarHBondContact O-CB 3.48Å; E498-K502 PolarHBondContact O-N 2.86Å
499	R	93	Very high	93.7	Very high	153 Å²	153	59.4 Å²	59.4	58%	0.577	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-44.2	174	178.5	178.9	176.5	169.1	-1.6	111.9	E495 L497 K502 L503 Y582	E495-R499 WeakPolarHBondContact O-CB 3.34Å; E495-R499 PolarHBondContact O-N 3.15Å; L497-R499 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 3.42Å; R499-K502 PolarHBondContact O-N 2.99Å; R499-L503 HydrophobicContact CG-CD1 4.5Å; R499-L503 WeakPolarHBondContact O-CG 3.41Å; R499-L503 PolarHBondContact O-N 3.16Å; R499-L503 VanDerWaalsContact O-N 3.14Å; R499-Y582 VanDerWaalsContact NH2-CE1 3.3Å
500	T	91.6	Very high	93.6	Very high	22 Å²	22	59.6 Å²	59.6	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-41.5	-177.7	-52.9	0	0	0	0	111.1	Y422 I430 A496 L497 K502 L503 L504	Y422-T500 WeakPolarHBondContact O-CG2 3.44Å; I430-T500 HydrophobicContact CD1-CG2 4.37Å; A496-T500 WeakPolarHBondContact O-CB 3.4Å; A496-T500 PolarHBondContact O-N 3.32Å; A496-T500 PolarHBondContact O-OG1 3.28Å; L497-T500 PolarHBondContact O-N 2.87Å; L497-T500 VanDerWaalsContact O-N 3.15Å; T500-K502 PolarHBondContact O-N 2.72Å; T500-L503 PolarHBondContact O-N 3.03Å; T500-L504 HydrophobicContact CG2-CD1 4.19Å; T500-L504 WeakPolarHBondContact O-CG 3.38Å; T500-L504 PolarHBondContact O-N 3Å
501	E	93.3	Very high	93.5	Very high	41 Å²	41	59.6 Å²	59.6	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-54.9	-51.4	172	-178.9	-172.2	-152.2	0	0	110.8	L427 I430 K431 L434 L497 L503 L504 E505	L427-E501 HydrophobicContact CD1-CG 4.5Å; I430-E501 HydrophobicContact CG1-CB 4.18Å; I430-E501 HydrophobicContact CG2-CB 4.19Å; I430-E501 HydrophobicContact CG2-CG 4.37Å; K431-E501 WeakPolarHBondContact CE-OE1 3.37Å; K431-E501 HydrophobicContact CG-CG 4.41Å; K431-E501 WeakPolarHBondContact CG-OE1 3.38Å; L434-E501 HydrophobicContact CD1-CB 4.21Å; L434-E501 WeakPolarHBondContact CD1-OE2 3.18Å; L497-E501 WeakPolarHBondContact O-CB 3.22Å; L497-E501 PolarHBondContact O-N 3.47Å; E501-L503 VanDerWaalsContact C-N 3.3Å; E501-L503 PolarHBondContact O-N 3.2Å; E501-L504 PolarHBondContact O-N 3.06Å; E501-L504 VanDerWaalsContact O-N 3.1Å; E501-E505 HydrophobicContact CG-CG 4.35Å; E501-E505 WeakPolarHBondContact O-CG 3.25Å; E501-E505 PolarHBondContact O-N 3.49Å
502	K	92.8	Very high	93.4	Very high	149 Å²	149	58.8 Å²	58.8	65%	0.648	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-39.4	-179.5	-173.5	175.1	-176.2	175.7	0	113	E498 R499 T500 T506	E498-K502 WeakPolarHBondContact O-CB 3.48Å; E498-K502 PolarHBondContact O-N 2.86Å; R499-K502 PolarHBondContact O-N 2.99Å; T500-K502 PolarHBondContact O-N 2.72Å; K502-T506 WeakPolarHBondContact O-CB 3.32Å; K502-T506 PolarHBondContact O-N 2.6Å; K502-T506 PolarHBondContact O-OG1 3.09Å
503	L	91.3	Very high	93.4	Very high	29 Å²	29	55.7 Å²	55.7	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-46.7	175.4	-72.7	173.1	0	0	0	111.1	R499 T500 E501 T506 I507 I578 Y582 V584	R499-L503 HydrophobicContact CG-CD1 4.5Å; R499-L503 WeakPolarHBondContact O-CG 3.41Å; R499-L503 PolarHBondContact O-N 3.16Å; R499-L503 VanDerWaalsContact O-N 3.14Å; T500-L503 PolarHBondContact O-N 3.03Å; E501-L503 VanDerWaalsContact C-N 3.3Å; E501-L503 PolarHBondContact O-N 3.2Å; L503-T506 PolarHBondContact O-N 3.33Å; L503-I507 WeakPolarHBondContact O-CG1 3.46Å; L503-I507 PolarHBondContact O-N 3.25Å; L503-I578 HydrophobicContact CD2-CG2 4.19Å; L503-Y582 HydrophobicContact CD1-CD1 4.1Å; L503-Y582 HydrophobicContact CD1-CD2 4.25Å; L503-Y582 HydrophobicContact CD1-CG 3.81Å; L503-Y582 HydrophobicContact CD2-CD2 3.69Å; L503-Y582 HydrophobicContact CD2-CE2 3.81Å; L503-Y582 HydrophobicContact CD2-CG 4.1Å; L503-V584 HydrophobicContact CD1-CG2 4.29Å
504	L	90.6	Very high	93.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-39.3	179.7	-70.2	173.3	0	0	0	112.3	A425 L427 I430 T500 E501 T506 I507 D508 V584 M586	A425-L504 WeakPolarHBondContact O-CD1 3.43Å; L427-L504 HydrophobicContact CB-CB 4.31Å; L427-L504 HydrophobicContact CD1-CB 3.88Å; I430-L504 HydrophobicContact CB-CD1 4.4Å; I430-L504 HydrophobicContact CG2-CD1 3.98Å; T500-L504 HydrophobicContact CG2-CD1 4.19Å; T500-L504 WeakPolarHBondContact O-CG 3.38Å; T500-L504 PolarHBondContact O-N 3Å; E501-L504 PolarHBondContact O-N 3.06Å; E501-L504 VanDerWaalsContact O-N 3.1Å; L504-T506 VanDerWaalsContact C-N 3.34Å; L504-T506 PolarHBondContact O-N 3.43Å; L504-I507 PolarHBondContact O-N 3.13Å; L504-D508 VanDerWaalsContact O-CB 3.28Å; L504-D508 WeakPolarHBondContact O-CB 3.37Å; L504-D508 PolarHBondContact O-N 2.91Å; L504-V584 HydrophobicContact CD2-CG1 3.69Å; L504-M586 HydrophobicContact CD2-CE 4.48Å; L504-M586 HydrophobicContact CD2-SD 3.89Å
505	E	92.8	Very high	93.3	Very high	83 Å²	83	51.8 Å²	51.8	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-40.3	173.1	-73	-167.6	147.9	0	0	112.2	L427 K431 E501 D508 Q509	L427-E505 HydrophobicContact CD1-CG 3.67Å; L427-E505 HydrophobicContact CD2-CG 4.41Å; K431-E505 VanDerWaalsContact CE-OE1 3.23Å; K431-E505 WeakPolarHBondContact CE-OE1 3.28Å; K431-E505 IonicContact NZ-OE1 3.56Å; K431-E505 PolarHBondContact NZ-OE1 3.07Å; E501-E505 HydrophobicContact CG-CG 4.35Å; E501-E505 WeakPolarHBondContact O-CG 3.25Å; E501-E505 PolarHBondContact O-N 3.49Å; E505-D508 PolarHBondContact O-N 3.33Å; E505-Q509 WeakPolarHBondContact O-CB 3.35Å; E505-Q509 PolarHBondContact O-N 3.49Å
506	T	92.6	Very high	93.3	Very high	60 Å²	60	54.7 Å²	54.7	37%	0.368	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-44.8	177.3	-55.6	0	0	0	0	110.8	K502 L503 L504 L510 I578	K502-T506 WeakPolarHBondContact O-CB 3.32Å; K502-T506 PolarHBondContact O-N 2.6Å; K502-T506 PolarHBondContact O-OG1 3.09Å; L503-T506 PolarHBondContact O-N 3.33Å; L504-T506 VanDerWaalsContact C-N 3.34Å; L504-T506 PolarHBondContact O-N 3.43Å; T506-L510 HydrophobicContact CG2-CD1 4.21Å; T506-L510 VanDerWaalsContact O-CG 3.3Å; T506-L510 WeakPolarHBondContact O-CG 3.33Å; T506-L510 PolarHBondContact O-N 3.02Å; T506-L510 VanDerWaalsContact O-N 3.09Å; T506-I578 HydrophobicContact CG2-CD1 4.12Å
507	I	91.4	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-46.7	177	-70.9	165.3	0	0	0	110.6	L503 L504 Q509 L510 Y511 V575 I578 V579	L503-I507 WeakPolarHBondContact O-CG1 3.46Å; L503-I507 PolarHBondContact O-N 3.25Å; L504-I507 PolarHBondContact O-N 3.13Å; I507-Q509 PolarHBondContact O-N 2.7Å; I507-L510 PolarHBondContact O-N 3.47Å; I507-Y511 HydrophobicContact CG2-CD2 3.65Å; I507-Y511 HydrophobicContact CG2-CE2 3.53Å; I507-Y511 PolarHBondContact O-N 3.27Å; I507-V575 HydrophobicContact CG2-CG1 3.91Å; I507-I578 HydrophobicContact CD1-CG2 4.02Å; I507-I578 HydrophobicContact CG1-CG2 3.99Å; I507-V579 HydrophobicContact CD1-CG2 3.86Å
508	D	91.6	Very high	93.5	Very high	35 Å²	35	56.8 Å²	56.8	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-46.1	-179.9	-170.8	67.5	0	0	0	112	L427 L504 E505 L510 Y511 L512 Y592	L427-D508 HydrophobicContact CD2-CB 3.99Å; L504-D508 VanDerWaalsContact O-CB 3.28Å; L504-D508 WeakPolarHBondContact O-CB 3.37Å; L504-D508 PolarHBondContact O-N 2.91Å; E505-D508 PolarHBondContact O-N 3.33Å; D508-L510 PolarHBondContact O-N 3.3Å; D508-Y511 PolarHBondContact O-N 3.14Å; D508-L512 WeakPolarHBondContact O-CB 3.36Å; D508-L512 PolarHBondContact O-N 2.83Å; D508-Y592 WeakPolarHBondContact OD1-CE2 3.47Å; D508-Y592 PolarHBondContact OD1-OH 2.92Å; D508-Y592 PolarHBondContact OD2-OH 3.22Å
509	Q	93.6	Very high	93.5	Very high	115 Å²	115	55 Å²	55	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-42	177.8	-173.6	61.9	35	0	0	112.3	E505 I507 L512 E513	E505-Q509 WeakPolarHBondContact O-CB 3.35Å; E505-Q509 PolarHBondContact O-N 3.49Å; I507-Q509 PolarHBondContact O-N 2.7Å; Q509-L512 PolarHBondContact O-N 3.49Å; Q509-E513 PolarHBondContact O-N 3.1Å
510	L	94	Very high	93.6	Very high	31 Å²	31	51.3 Å²	51.3	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-40.1	176.1	-71.1	171.1	0	0	0	111.5	T506 I507 D508 L512 E513 Y514 I571 V575 I578	T506-L510 HydrophobicContact CG2-CD1 4.21Å; T506-L510 VanDerWaalsContact O-CG 3.3Å; T506-L510 WeakPolarHBondContact O-CG 3.33Å; T506-L510 PolarHBondContact O-N 3.02Å; T506-L510 VanDerWaalsContact O-N 3.09Å; I507-L510 PolarHBondContact O-N 3.47Å; D508-L510 PolarHBondContact O-N 3.3Å; L510-L512 VanDerWaalsContact C-N 3.33Å; L510-L512 PolarHBondContact O-N 3.03Å; L510-E513 PolarHBondContact O-N 3.01Å; L510-Y514 WeakPolarHBondContact O-CB 3.38Å; L510-Y514 PolarHBondContact O-N 3.49Å; L510-I571 HydrophobicContact CB-CG2 4.02Å; L510-I571 HydrophobicContact CD2-CG2 4.1Å; L510-I571 WeakPolarHBondContact O-CG2 3.33Å; L510-V575 HydrophobicContact CB-CG2 3.38Å; L510-V575 HydrophobicContact CD1-CG2 3.79Å; L510-V575 HydrophobicContact CG-CG2 4.23Å; L510-I578 HydrophobicContact CD1-CD1 3.87Å
511	Y	93.6	Very high	93.9	Very high	6 Å²	6	50.9 Å²	50.9	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-40.1	174.1	-84.6	-40.3	0	0	0	112.3	I507 D508 Y514 A515 V575 N590	I507-Y511 HydrophobicContact CG2-CD2 3.65Å; I507-Y511 HydrophobicContact CG2-CE2 3.53Å; I507-Y511 PolarHBondContact O-N 3.27Å; D508-Y511 PolarHBondContact O-N 3.14Å; Y511-Y514 PolarHBondContact O-N 3.43Å; Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 2.89Å; Y511-V575 HydrophobicContact CD1-CG1 4.38Å; Y511-V575 HydrophobicContact CD1-CG2 4.45Å; Y511-V575 HydrophobicContact CE1-CB 4.43Å; Y511-V575 HydrophobicContact CE1-CG1 3.76Å; Y511-V575 HydrophobicContact CE2-CG1 3.92Å; Y511-N590 HydrophobicContact CD1-CB 3.64Å; Y511-N590 WeakPolarHBondContact CD1-ND2 3.18Å; Y511-N590 HydrophobicContact CE1-CB 3.94Å; Y511-N590 HydrophobicContact CG-CB 4.22Å; Y511-N590 PolarHBondContact O-ND2 3.08Å
512	L	94.3	Very high	94	Very high	73 Å²	73	49.4 Å²	49.4	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-42.4	175	-176.1	63.8	0	0	0	111.7	D508 Q509 L510 A515 K516 Y592	D508-L512 WeakPolarHBondContact O-CB 3.36Å; D508-L512 PolarHBondContact O-N 2.83Å; Q509-L512 PolarHBondContact O-N 3.49Å; L510-L512 VanDerWaalsContact C-N 3.33Å; L510-L512 PolarHBondContact O-N 3.03Å; L512-A515 PolarHBondContact O-N 3.3Å; L512-K516 WeakPolarHBondContact O-CB 3.49Å; L512-K516 PolarHBondContact O-N 3.37Å; L512-Y592 HydrophobicContact CB-CD2 4.07Å; L512-Y592 HydrophobicContact CB-CE2 4.07Å; L512-Y592 HydrophobicContact CD1-CD1 4Å; L512-Y592 HydrophobicContact CD1-CD2 4.31Å; L512-Y592 HydrophobicContact CD1-CE1 4.3Å; L512-Y592 HydrophobicContact CD1-CG 4.02Å
513	E	94.8	Very high	94.1	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-45.4	176.3	-168.3	-174.1	158.5	0	0	111.6	Q509 L510 A515 K516 R517 I571	Q509-E513 PolarHBondContact O-N 3.1Å; L510-E513 PolarHBondContact O-N 3.01Å; E513-A515 VanDerWaalsContact C-N 3.34Å; E513-A515 PolarHBondContact O-N 2.75Å; E513-K516 PolarHBondContact O-N 3.29Å; E513-R517 WeakPolarHBondContact O-CG 3.29Å; E513-R517 PolarHBondContact O-N 3.07Å; E513-R517 VanDerWaalsContact O-N 3.08Å; E513-R517 IonicContact OE1-NH1 3.69Å; E513-I571 HydrophobicContact CB-CD1 4.42Å; E513-I571 HydrophobicContact CG-CD1 3.87Å; E513-I571 WeakPolarHBondContact OE1-CD1 3.43Å
514	Y	95.5	Very high	94.4	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-50.5	173	173.2	-83.6	0	0	0	110.6	L510 Y511 K516 R517 A518 I568 H572 N590 T593 I595 T596 P597 I600	L510-Y514 WeakPolarHBondContact O-CB 3.38Å; L510-Y514 PolarHBondContact O-N 3.49Å; Y511-Y514 PolarHBondContact O-N 3.43Å; Y514-K516 VanDerWaalsContact C-N 3.34Å; Y514-K516 PolarHBondContact O-N 3Å; Y514-R517 PolarHBondContact O-N 3.02Å; Y514-A518 HydrophobicContact CD1-CB 4.2Å; Y514-A518 HydrophobicContact CE1-CB 3.88Å; Y514-A518 WeakPolarHBondContact O-CB 3.3Å; Y514-A518 PolarHBondContact O-N 3.31Å; Y514-I568 HydrophobicContact CD2-CG2 3.64Å; Y514-I568 WeakPolarHBondContact CD2-O 3.37Å; Y514-I568 HydrophobicContact CE2-CG2 3.46Å; Y514-I568 VanDerWaalsContact CE2-CG2 3.46Å; Y514-H572 HydrophobicContact CD2-CB 4.01Å; Y514-H572 HydrophobicContact CE2-CB 4.08Å; Y514-N590 VanDerWaalsContact CD1-ND2 3.27Å; Y514-N590 WeakPolarHBondContact CD1-ND2 3.33Å; Y514-T593 HydrophobicContact CD1-CG2 3.87Å; Y514-T593 HydrophobicContact CE1-CG2 3.74Å; Y514-I595 VanDerWaalsContact CE1-O 3.31Å; Y514-I595 WeakPolarHBondContact CE1-O 3.42Å; Y514-I595 PolarHBondContact OH-O 3.37Å; Y514-T596 VanDerWaalsContact OH-C 3.23Å; Y514-P597 HydrophobicContact CE2-CG 4.2Å; Y514-P597 WeakPolarHBondContact OH-CD 3.4Å; Y514-P597 VanDerWaalsContact OH-N 3.11Å; Y514-I600 HydrophobicContact CE2-CD1 4.46Å; Y514-I600 WeakPolarHBondContact OH-CD1 3.45Å
515	A	94.7	Very high	94.7	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-42.3	-177.9	0	0	0	0	0	112.2	Y511 L512 E513 R517 A519 T593	Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 2.89Å; L512-A515 PolarHBondContact O-N 3.3Å; E513-A515 VanDerWaalsContact C-N 3.34Å; E513-A515 PolarHBondContact O-N 2.75Å; A515-R517 VanDerWaalsContact C-N 3.32Å; A515-R517 PolarHBondContact O-N 3.47Å; A515-A519 PolarHBondContact O-N 3.36Å; A515-T593 HydrophobicContact CB-CG2 3.69Å
516	K	95.6	Very high	94.7	Very high	168 Å²	168	49 Å²	49	73%	0.73	25%	0.246	S	C	*	.	H	α-helix	trans	-62.6	-35.8	178.5	-174.7	-179.9	178	-176.6	0	112.8	L512 E513 Y514 P520	L512-K516 WeakPolarHBondContact O-CB 3.49Å; L512-K516 PolarHBondContact O-N 3.37Å; E513-K516 PolarHBondContact O-N 3.29Å; Y514-K516 VanDerWaalsContact C-N 3.34Å; Y514-K516 PolarHBondContact O-N 3Å; K516-P520 WeakPolarHBondContact O-CD 3.31Å; K516-P520 WeakPolarHBondContact O-CG 3.45Å
517	R	96.8	Very high	94.8	Very high	62 Å²	62	47.3 Å²	47.3	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-87.9	-38.3	-179.8	-65.1	176.3	70.5	172.7	3	112.6	E513 Y514 A515 A519 P520 F521 E564 I568	E513-R517 WeakPolarHBondContact O-CG 3.29Å; E513-R517 PolarHBondContact O-N 3.07Å; E513-R517 VanDerWaalsContact O-N 3.08Å; E513-R517 IonicContact OE1-NH1 3.69Å; Y514-R517 PolarHBondContact O-N 3.02Å; A515-R517 VanDerWaalsContact C-N 3.32Å; A515-R517 PolarHBondContact O-N 3.47Å; R517-A519 PolarHBondContact O-N 2.57Å; R517-P520 WeakPolarHBondContact O-CD 3.48Å; R517-P520 WeakPolarHBondContact O-CG 3.17Å; R517-F521 VanDerWaalsContact O-CB 3.29Å; R517-F521 WeakPolarHBondContact O-CB 3.47Å; R517-F521 PolarHBondContact O-N 2.72Å; R517-E564 IonicContact CZ-OE1 2.78Å; R517-E564 VanDerWaalsContact CZ-OE1 3.24Å; R517-E564 IonicContact CZ-OE2 3.72Å; R517-E564 IonicContact NE-OE1 3.19Å; R517-E564 PolarHBondContact NE-OE1 3.33Å; R517-E564 IonicContact NH2-OE1 2.86Å; R517-E564 PolarHBondContact NH2-OE1 3.12Å; R517-E564 IonicContact NH2-OE2 3.75Å; R517-E564 PolarHBondContact NH2-OE2 3.19Å; R517-I568 HydrophobicContact CB-CD1 4.05Å; R517-I568 HydrophobicContact CB-CG1 3.73Å
518	A	95.8	Very high	95	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-39.6	179.8	0	0	0	0	0	112.5	Y514 N522 I568 I600	Y514-A518 HydrophobicContact CD1-CB 4.2Å; Y514-A518 HydrophobicContact CE1-CB 3.88Å; Y514-A518 WeakPolarHBondContact O-CB 3.3Å; Y514-A518 PolarHBondContact O-N 3.31Å; A518-N522 WeakPolarHBondContact O-CB 3.34Å; A518-N522 PolarHBondContact O-N 2.96Å; A518-I568 HydrophobicContact CB-CG2 4.36Å; A518-I600 HydrophobicContact CB-CD1 3.89Å
519	A	94.4	Very high	95.2	Very high	39 Å²	39	47.2 Å²	47.2	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-57	-179.1	0	0	0	0	0	114.1	A515 R517 F521 N522 N523	A515-A519 PolarHBondContact O-N 3.36Å; R517-A519 PolarHBondContact O-N 2.57Å; A519-F521 VanDerWaalsContact C-N 3.3Å; A519-F521 PolarHBondContact O-N 3.41Å; A519-N522 WeakPolarHBondContact O-CB 3.43Å; A519-N522 PolarHBondContact O-N 3.01Å; A519-N523 PolarHBondContact O-N 3.12Å; A519-N523 PolarHBondContact O-OD1 3.41Å
520	P	95.6	Very high	95.2	Very high	76 Å²	76	48.5 Å²	48.5	49%	0.494	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-34.1	177.4	25.6	-34.1	0	0	0	112.3	K516 R517 N523 W524	K516-P520 WeakPolarHBondContact O-CD 3.31Å; K516-P520 WeakPolarHBondContact O-CG 3.45Å; R517-P520 WeakPolarHBondContact O-CD 3.48Å; R517-P520 WeakPolarHBondContact O-CG 3.17Å; P520-N523 PolarHBondContact O-N 3.18Å; P520-W524 PolarHBondContact O-N 2.95Å
521	F	97.3	Very high	95.1	Very high	13 Å²	13	52 Å²	52	6%	0.057	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-38.8	175.6	-172.4	-110.9	0	0	0	112.2	R517 A519 W524 M525 A561 E564 R565 I568 I600 W604	R517-F521 VanDerWaalsContact O-CB 3.29Å; R517-F521 WeakPolarHBondContact O-CB 3.47Å; R517-F521 PolarHBondContact O-N 2.72Å; A519-F521 VanDerWaalsContact C-N 3.3Å; A519-F521 PolarHBondContact O-N 3.41Å; F521-W524 HydrophobicContact CD2-CE3 4.38Å; F521-W524 AromaticContact CE2-CE3 3.98Å; F521-W524 HydrophobicContact CE2-CE3 3.98Å; F521-W524 HydrophobicContact CE2-CZ3 4.25Å; F521-W524 HydrophobicContact CZ-CE3 4.5Å; F521-W524 HydrophobicContact CZ-CZ3 4.49Å; F521-W524 PolarHBondContact O-N 3.13Å; F521-M525 HydrophobicContact CD1-CE 3.72Å; F521-M525 HydrophobicContact CD1-SD 4.25Å; F521-M525 HydrophobicContact CE1-CE 3.75Å; F521-M525 HydrophobicContact CE1-CG 4.27Å; F521-M525 HydrophobicContact CE1-SD 3.69Å; F521-M525 HydrophobicContact CZ-CG 4.36Å; F521-M525 HydrophobicContact CZ-SD 4.19Å; F521-M525 WeakPolarHBondContact O-CG 3.46Å; F521-M525 PolarHBondContact O-N 3.27Å; F521-A561 HydrophobicContact CE2-CB 4.16Å; F521-A561 VanDerWaalsContact CE2-O 3.28Å; F521-A561 WeakPolarHBondContact CE2-O 3.29Å; F521-A561 WeakPolarHBondContact CZ-O 3.27Å; F521-E564 HydrophobicContact CD2-CB 4.32Å; F521-E564 HydrophobicContact CD2-CG 3.98Å; F521-E564 HydrophobicContact CE2-CB 4.3Å; F521-E564 HydrophobicContact CE2-CG 4.45Å; F521-R565 HydrophobicContact CE1-CB 3.79Å; F521-R565 HydrophobicContact CE1-CG 4Å; F521-R565 HydrophobicContact CZ-CB 3.66Å; F521-R565 HydrophobicContact CZ-CG 4.29Å; F521-I568 HydrophobicContact CB-CD1 3.63Å; F521-I568 HydrophobicContact CD1-CD1 3.83Å; F521-I568 HydrophobicContact CD2-CD1 4.5Å; F521-I568 HydrophobicContact CG-CD1 3.72Å; F521-I600 HydrophobicContact CD1-CG2 4.08Å; F521-I600 HydrophobicContact CE1-CG2 3.83Å; F521-W604 AromaticContact CZ-CE3 3.91Å; F521-W604 HydrophobicContact CZ-CE3 3.91Å; F521-W604 HydrophobicContact CZ-CZ3 4.1Å
522	N	95.8	Very high	95.1	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-46.2	173	-180	81.6	0	0	0	111.7	A518 A519 W524 M525 E526 I595 K603	A518-N522 WeakPolarHBondContact O-CB 3.34Å; A518-N522 PolarHBondContact O-N 2.96Å; A519-N522 WeakPolarHBondContact O-CB 3.43Å; A519-N522 PolarHBondContact O-N 3.01Å; N522-W524 VanDerWaalsContact C-N 3.3Å; N522-W524 PolarHBondContact O-N 3.4Å; N522-M525 HydrophobicContact CB-CE 4.5Å; N522-M525 PolarHBondContact O-N 3.17Å; N522-M525 VanDerWaalsContact O-N 3.16Å; N522-E526 PolarHBondContact ND2-OE1 3.32Å; N522-E526 PolarHBondContact O-N 3.43Å; N522-I595 HydrophobicContact CB-CD1 3.75Å; N522-K603 WeakPolarHBondContact OD1-CD 3.43Å; N522-K603 PolarHBondContact OD1-NZ 3.1Å
523	N	94.6	Very high	95.1	Very high	101 Å²	101	54.3 Å²	54.3	54%	0.54	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-37.6	177.6	-65.4	0.4	0	0	0	111.6	A519 P520 E526 G527	A519-N523 PolarHBondContact O-N 3.12Å; A519-N523 PolarHBondContact O-OD1 3.41Å; P520-N523 PolarHBondContact O-N 3.18Å; N523-E526 PolarHBondContact O-N 2.9Å; N523-G527 PolarHBondContact O-N 3.09Å
524	W	96.8	Very high	95	Very high	77 Å²	77	55 Å²	55	29%	0.292	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-43.3	173.3	175.3	87.1	0	0	0	111.5	P520 F521 N522 E526 G527 A528 F554 L558 A561 W604	P520-W524 PolarHBondContact O-N 2.95Å; F521-W524 HydrophobicContact CD2-CE3 4.38Å; F521-W524 AromaticContact CE2-CE3 3.98Å; F521-W524 HydrophobicContact CE2-CE3 3.98Å; F521-W524 HydrophobicContact CE2-CZ3 4.25Å; F521-W524 HydrophobicContact CZ-CE3 4.5Å; F521-W524 HydrophobicContact CZ-CZ3 4.49Å; F521-W524 PolarHBondContact O-N 3.13Å; N522-W524 VanDerWaalsContact C-N 3.3Å; N522-W524 PolarHBondContact O-N 3.4Å; W524-E526 VanDerWaalsContact C-N 3.35Å; W524-E526 PolarHBondContact O-N 3.31Å; W524-G527 PolarHBondContact O-N 3.45Å; W524-A528 VanDerWaalsContact O-CB 3.25Å; W524-A528 WeakPolarHBondContact O-CB 3.5Å; W524-A528 PolarHBondContact O-N 3.49Å; W524-F554 AromaticContact CZ2-CE2 4Å; W524-F554 HydrophobicContact CZ2-CE2 4Å; W524-F554 HydrophobicContact CZ2-CZ 4.37Å; W524-L558 HydrophobicContact CH2-CD2 3.92Å; W524-L558 HydrophobicContact CZ2-CD2 4.36Å; W524-A561 HydrophobicContact CE3-CB 4.4Å; W524-A561 HydrophobicContact CH2-CB 3.46Å; W524-A561 VanDerWaalsContact CH2-CB 3.46Å; W524-A561 HydrophobicContact CZ2-CB 3.75Å; W524-A561 HydrophobicContact CZ3-CB 3.82Å; W524-W604 AromaticContact CH2-CZ3 3.88Å; W524-W604 HydrophobicContact CH2-CZ3 3.88Å; W524-W604 HydrophobicContact CZ3-CE3 4.15Å; W524-W604 AromaticContact CZ3-CZ3 3.68Å; W524-W604 HydrophobicContact CZ3-CZ3 3.68Å
525	M	96.7	Very high	94.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-39.4	175.9	-70.8	-175.2	-68.1	0	0	111.9	F521 N522 A528 M529 I600 K603 W604 V607	F521-M525 HydrophobicContact CD1-CE 3.72Å; F521-M525 HydrophobicContact CD1-SD 4.25Å; F521-M525 HydrophobicContact CE1-CE 3.75Å; F521-M525 HydrophobicContact CE1-CG 4.27Å; F521-M525 HydrophobicContact CE1-SD 3.69Å; F521-M525 HydrophobicContact CZ-CG 4.36Å; F521-M525 HydrophobicContact CZ-SD 4.19Å; F521-M525 WeakPolarHBondContact O-CG 3.46Å; F521-M525 PolarHBondContact O-N 3.27Å; N522-M525 HydrophobicContact CB-CE 4.5Å; N522-M525 PolarHBondContact O-N 3.17Å; N522-M525 VanDerWaalsContact O-N 3.16Å; M525-A528 PolarHBondContact O-N 3.17Å; M525-M529 VanDerWaalsContact O-CG 3.27Å; M525-M529 WeakPolarHBondContact O-CG 3.44Å; M525-M529 PolarHBondContact O-N 2.91Å; M525-I600 HydrophobicContact CE-CB 4.38Å; M525-I600 HydrophobicContact CE-CG1 4.37Å; M525-I600 HydrophobicContact CE-CG2 4.07Å; M525-K603 HydrophobicContact CB-CB 4.3Å; M525-K603 HydrophobicContact CE-CB 3.99Å; M525-K603 HydrophobicContact CE-CD 4.46Å; M525-K603 HydrophobicContact SD-CB 3.77Å; M525-W604 HydrophobicContact SD-CB 4.04Å; M525-W604 HydrophobicContact SD-CE3 4.48Å; M525-V607 HydrophobicContact CB-CG2 4.25Å
526	E	94.5	Very high	94.7	Very high	75 Å²	75	63 Å²	63	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-50.3	175.4	-74.4	172.5	-172.8	0	0	111.8	N522 N523 W524 A528 M529 E530 K603	N522-E526 PolarHBondContact ND2-OE1 3.32Å; N522-E526 PolarHBondContact O-N 3.43Å; N523-E526 PolarHBondContact O-N 2.9Å; W524-E526 VanDerWaalsContact C-N 3.35Å; W524-E526 PolarHBondContact O-N 3.31Å; E526-A528 VanDerWaalsContact C-N 3.33Å; E526-A528 PolarHBondContact O-N 3.48Å; E526-M529 HydrophobicContact CB-CE 4.46Å; E526-M529 HydrophobicContact CG-CE 4.04Å; E526-M529 PolarHBondContact O-N 2.96Å; E526-M529 VanDerWaalsContact O-N 3.15Å; E526-E530 PolarHBondContact O-N 3.24Å; E526-K603 IonicContact OE1-NZ 3.88Å; E526-K603 PolarHBondContact OE1-NZ 3.5Å
527	G	94.5	Very high	94.5	Very high	24 Å²	24	62 Å²	62	25%	0.247	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-41	175.5	0	0	0	0	0	112.6	N523 W524 M529 E530 D531	N523-G527 PolarHBondContact O-N 3.09Å; W524-G527 PolarHBondContact O-N 3.45Å; G527-M529 VanDerWaalsContact C-N 3.33Å; G527-M529 PolarHBondContact O-N 3.07Å; G527-E530 PolarHBondContact O-N 2.89Å; G527-D531 WeakPolarHBondContact O-CB 3.31Å; G527-D531 VanDerWaalsContact O-CG 3.32Å; G527-D531 PolarHBondContact O-N 2.87Å
528	A	94.8	Very high	94.2	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-39.2	175.1	0	0	0	0	0	112.6	W524 M525 E526 L532 F554 V607	W524-A528 VanDerWaalsContact O-CB 3.25Å; W524-A528 WeakPolarHBondContact O-CB 3.5Å; W524-A528 PolarHBondContact O-N 3.49Å; M525-A528 PolarHBondContact O-N 3.17Å; E526-A528 VanDerWaalsContact C-N 3.33Å; E526-A528 PolarHBondContact O-N 3.48Å; A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 VanDerWaalsContact O-CD1 3.31Å; A528-L532 WeakPolarHBondContact O-CD1 3.44Å; A528-L532 WeakPolarHBondContact O-CG 3.31Å; A528-L532 PolarHBondContact O-N 2.84Å; A528-L532 VanDerWaalsContact O-N 3.08Å; A528-F554 HydrophobicContact CB-CE2 3.81Å; A528-F554 HydrophobicContact CB-CZ 3.78Å; A528-V607 HydrophobicContact CB-CG1 4.21Å; A528-V607 HydrophobicContact CB-CG2 4.19Å
529	M	95.3	Very high	93.9	Very high	30 Å²	30	65.4 Å²	65.4	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.8	-71.2	-177.7	-64.7	0	0	111.2	M525 E526 G527 Q533 K603 H606 V607 L610	M525-M529 VanDerWaalsContact O-CG 3.27Å; M525-M529 WeakPolarHBondContact O-CG 3.44Å; M525-M529 PolarHBondContact O-N 2.91Å; E526-M529 HydrophobicContact CB-CE 4.46Å; E526-M529 HydrophobicContact CG-CE 4.04Å; E526-M529 PolarHBondContact O-N 2.96Å; E526-M529 VanDerWaalsContact O-N 3.15Å; G527-M529 VanDerWaalsContact C-N 3.33Å; G527-M529 PolarHBondContact O-N 3.07Å; M529-Q533 WeakPolarHBondContact O-CB 3.39Å; M529-Q533 VanDerWaalsContact O-CG 3.28Å; M529-Q533 WeakPolarHBondContact O-CG 3.34Å; M529-Q533 PolarHBondContact O-N 3.26Å; M529-Q533 VanDerWaalsContact O-N 3.16Å; M529-Q533 PolarHBondContact O-OE1 3Å; M529-K603 HydrophobicContact CE-CD 4.31Å; M529-K603 HydrophobicContact CE-CG 4.32Å; M529-H606 HydrophobicContact SD-CB 4.01Å; M529-H606 PolarHBondContact SD-CD2 3.5Å; M529-V607 HydrophobicContact CG-CG2 3.59Å; M529-V607 HydrophobicContact SD-CG2 4.46Å; M529-L610 HydrophobicContact CB-CD1 4.14Å; M529-L610 HydrophobicContact CG-CD1 4.05Å
530	E	94.3	Very high	93.5	Very high	141 Å²	141	66 Å²	66	66%	0.659	35%	0.345	S	S	*	.	H	α-helix	trans	-60.2	-52.1	176.3	-70.1	-179.7	176	0	0	111.5	E526 G527 L532 Q533 D534	E526-E530 PolarHBondContact O-N 3.24Å; G527-E530 PolarHBondContact O-N 2.89Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.39Å; E530-Q533 CarbonylContact O-C 3.57Å; E530-Q533 PolarHBondContact O-N 2.97Å; E530-Q533 VanDerWaalsContact O-N 3.11Å; E530-D534 PolarHBondContact O-N 3.16Å
531	D	92.8	Very high	93.3	Very high	106 Å²	106	64.2 Å²	64.2	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-61.1	-38.6	-178.8	-71.3	-19.5	0	0	0	112.7	G527 Q533 D534	G527-D531 WeakPolarHBondContact O-CB 3.31Å; G527-D531 VanDerWaalsContact O-CG 3.32Å; G527-D531 PolarHBondContact O-N 2.87Å; D531-Q533 VanDerWaalsContact C-N 3.31Å; D531-Q533 PolarHBondContact O-N 3.47Å; D531-D534 PolarHBondContact O-N 2.78Å
532	L	93.6	Very high	93	Very high	12 Å²	12	70.7 Å²	70.7	6%	0.063	36%	0.361	C	S	.	.	H	α-helix	trans	-71.7	-27.5	178.9	-70.5	169.4	0	0	0	112.4	A528 E530 H551 F554 V607 L610 V611 R614	A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 VanDerWaalsContact O-CD1 3.31Å; A528-L532 WeakPolarHBondContact O-CD1 3.44Å; A528-L532 WeakPolarHBondContact O-CG 3.31Å; A528-L532 PolarHBondContact O-N 2.84Å; A528-L532 VanDerWaalsContact O-N 3.08Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.39Å; L532-H551 VanDerWaalsContact CD2-CE1 3.44Å; L532-H551 WeakPolarHBondContact CD2-CE1 3.46Å; L532-F554 HydrophobicContact CD1-CE1 3.97Å; L532-F554 HydrophobicContact CD1-CZ 4.16Å; L532-F554 HydrophobicContact CD2-CD1 4.22Å; L532-F554 HydrophobicContact CD2-CE1 3.92Å; L532-F554 HydrophobicContact CG-CE1 4.2Å; L532-V607 HydrophobicContact CD1-CG1 4.1Å; L532-L610 HydrophobicContact CB-CB 3.93Å; L532-L610 HydrophobicContact CB-CD1 4.36Å; L532-L610 HydrophobicContact CD1-CB 3.74Å; L532-L610 HydrophobicContact CG-CB 4.43Å; L532-V611 HydrophobicContact CD1-CG2 3.94Å; L532-V611 HydrophobicContact CD2-CG2 4.35Å; L532-R614 HydrophobicContact CD2-CB 3.88Å; L532-R614 HydrophobicContact CD2-CG 3.98Å; L532-R614 PolarHBondContact O-NH1 2.91Å
533	Q	92.9	Very high	92.9	Very high	115 Å²	115	74.6 Å²	74.6	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-93.7	-6.8	178.9	-66.9	-178.3	-60.4	0	0	113.3	M529 E530 D531 T535 L610	M529-Q533 WeakPolarHBondContact O-CB 3.39Å; M529-Q533 VanDerWaalsContact O-CG 3.28Å; M529-Q533 WeakPolarHBondContact O-CG 3.34Å; M529-Q533 PolarHBondContact O-N 3.26Å; M529-Q533 VanDerWaalsContact O-N 3.16Å; M529-Q533 PolarHBondContact O-OE1 3Å; E530-Q533 CarbonylContact O-C 3.57Å; E530-Q533 PolarHBondContact O-N 2.97Å; E530-Q533 VanDerWaalsContact O-N 3.11Å; D531-Q533 VanDerWaalsContact C-N 3.31Å; D531-Q533 PolarHBondContact O-N 3.47Å; Q533-T535 PolarHBondContact O-N 3.25Å; Q533-L610 HydrophobicContact CG-CD1 3.89Å; Q533-L610 HydrophobicContact CG-CD2 3.86Å
534	D	93.8	Very high	92.9	Very high	91 Å²	91	69.8 Å²	69.8	49%	0.487	35%	0.353	S	S	.	.			trans	-59.4	132.6	-176.5	-178.2	38.5	0	0	0	112.9	E530 D531 R614	E530-D534 PolarHBondContact O-N 3.16Å; D531-D534 PolarHBondContact O-N 2.78Å; D534-R614 PolarHBondContact O-NH1 3.21Å; D534-R614 PolarHBondContact O-NH2 2.87Å
535	T	91.1	Very high	92.7	Very high	130 Å²	130	70.5 Å²	70.5	80%	0.798	36%	0.36	S	S	*	.			trans	-84.2	124.4	179.3	53	0	0	0	0	110.3	Q533	Q533-T535 PolarHBondContact O-N 3.25Å
536	F	92.3	Very high	92.5	Very high	50 Å²	50	72.5 Å²	72.5	22%	0.219	38%	0.38	C	S	.	.			trans	-116.9	151.7	-178.6	60.3	-85.1	0	0	0	112.3	V538 I544 L547 R614 L618 E621	F536-V538 HydrophobicContact CD2-CG1 4.3Å; F536-I544 HydrophobicContact CD2-CD1 4.42Å; F536-I544 HydrophobicContact CE2-CD1 3.75Å; F536-I544 HydrophobicContact CZ-CD1 4.48Å; F536-L547 HydrophobicContact CB-CD1 3.85Å; F536-L547 HydrophobicContact CD2-CD1 3.6Å; F536-L547 HydrophobicContact CE2-CD1 4.31Å; F536-L547 HydrophobicContact CG-CD1 3.8Å; F536-R614 VanDerWaalsContact CD1-NH2 3.33Å; F536-L618 HydrophobicContact CE1-CD2 4.04Å; F536-L618 HydrophobicContact CE2-CD2 4.05Å; F536-L618 HydrophobicContact CZ-CD2 3.66Å; F536-L618 HydrophobicContact CZ-CG 4.34Å; F536-E621 HydrophobicContact CE2-CB 3.91Å; F536-E621 HydrophobicContact CE2-CG 3.87Å; F536-E621 HydrophobicContact CZ-CB 4.35Å
537	I	90.5	Very high	92.5	Very high	146 Å²	146	71.7 Å²	71.7	75%	0.749	38%	0.378	S	S	*	.			trans	-128.3	132.9	173.4	-58	175.2	0	0	0	107.1
538	V	92.2	Very high	92.5	Very high	9 Å²	9	72.7 Å²	72.7	6%	0.055	38%	0.38	C	S	.	.			trans	-135.1	147.4	-179.7	-66.3	0	0	0	0	109.8	F536 E543 I544 L547 E621 Q625	F536-V538 HydrophobicContact CD2-CG1 4.3Å; V538-E543 HydrophobicContact CB-CB 4.12Å; V538-E543 HydrophobicContact CG1-CB 3.87Å; V538-I544 HydrophobicContact CG1-CB 4.4Å; V538-I544 HydrophobicContact CG2-CB 4.14Å; V538-I544 HydrophobicContact CG2-CD1 4.46Å; V538-L547 HydrophobicContact CG1-CD1 3.79Å; V538-E621 HydrophobicContact CG2-CG 3.38Å; V538-E621 WeakPolarHBondContact CG2-OE1 3.49Å; V538-Q625 HydrophobicContact CG2-CG 3.95Å; V538-Q625 PolarHBondContact O-NE2 3.48Å; V538-Q625 VanDerWaalsContact O-NE2 3.09Å
539	H	87.6	Confident	92.5	Very high	124 Å²	124	76 Å²	76	57%	0.574	40%	0.4	S	S	*	.	S	Bend	trans	-122.1	-8.8	-179.4	-60.1	-60	0	0	0	112.6	E543 Q625	H539-E543 PolarHBondContact N-OE2 3.13Å; H539-Q625 PolarHBondContact O-OE1 3.34Å
540	T	87.8	Confident	92.4	Very high	52 Å²	52	77.1 Å²	77.1	32%	0.319	41%	0.413	S	S	.	.	S	Bend	trans	-133.5	158.2	-179.4	69.6	0	0	0	0	112.6	E542 E543	T540-E542 VanDerWaalsContact C-N 3.29Å; T540-E542 PolarHBondContact O-N 3.45Å; T540-E543 PolarHBondContact N-OE2 3.38Å; T540-E543 WeakPolarHBondContact OG1-CG 3.18Å; T540-E543 PolarHBondContact OG1-N 3.42Å; T540-E543 PolarHBondContact OG1-OE2 3.14Å; T540-E543 VanDerWaalsContact OG1-OE2 3.08Å
541	I	90.7	Very high	92.5	Very high	38 Å²	38	71 Å²	71	20%	0.195	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-35	174.6	-67	176.6	0	0	0	111.4	I544 Q545 Q625 Q626 E629	I541-I544 WeakPolarHBondContact O-CG2 3.1Å; I541-I544 PolarHBondContact O-N 3.45Å; I541-Q545 HydrophobicContact CG2-CG 4.18Å; I541-Q545 WeakPolarHBondContact O-CB 3.43Å; I541-Q545 VanDerWaalsContact O-CG 3.26Å; I541-Q545 WeakPolarHBondContact O-CG 3.39Å; I541-Q545 PolarHBondContact O-N 3.46Å; I541-Q625 HydrophobicContact CG1-CB 3.94Å; I541-Q626 HydrophobicContact CD1-CG 4.4Å; I541-E629 HydrophobicContact CD1-CB 3.49Å; I541-E629 VanDerWaalsContact CD1-CB 3.49Å; I541-E629 HydrophobicContact CD1-CG 3.8Å; I541-E629 HydrophobicContact CG1-CB 4.38Å
542	E	91.5	Very high	92.6	Very high	149 Å²	149	70.5 Å²	70.5	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-67.4	-40.1	-177.4	-68.2	174.9	-164.2	0	0	111.6	T540 Q545 G546	T540-E542 VanDerWaalsContact C-N 3.29Å; T540-E542 PolarHBondContact O-N 3.45Å; E542-Q545 PolarHBondContact O-N 3.37Å; E542-G546 PolarHBondContact O-N 3.27Å
543	E	92.6	Very high	92.6	Very high	92 Å²	92	76.2 Å²	76.2	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-47	176.2	-72.5	163.5	163.1	0	0	111.9	V538 H539 T540 Q545 G546 L547	V538-E543 HydrophobicContact CB-CB 4.12Å; V538-E543 HydrophobicContact CG1-CB 3.87Å; H539-E543 PolarHBondContact N-OE2 3.13Å; T540-E543 PolarHBondContact N-OE2 3.38Å; T540-E543 WeakPolarHBondContact OG1-CG 3.18Å; T540-E543 PolarHBondContact OG1-N 3.42Å; T540-E543 PolarHBondContact OG1-OE2 3.14Å; T540-E543 VanDerWaalsContact OG1-OE2 3.08Å; E543-Q545 VanDerWaalsContact C-N 3.35Å; E543-Q545 PolarHBondContact O-N 2.96Å; E543-G546 PolarHBondContact O-N 3.14Å; E543-L547 PolarHBondContact O-N 3.31Å
544	I	94.2	Very high	92.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-31.2	179	-171.2	58.9	0	0	0	112.5	F536 V538 I541 G546 L547 T548 L618 E621 H622 Q625	F536-I544 HydrophobicContact CD2-CD1 4.42Å; F536-I544 HydrophobicContact CE2-CD1 3.75Å; F536-I544 HydrophobicContact CZ-CD1 4.48Å; V538-I544 HydrophobicContact CG1-CB 4.4Å; V538-I544 HydrophobicContact CG2-CB 4.14Å; V538-I544 HydrophobicContact CG2-CD1 4.46Å; I541-I544 WeakPolarHBondContact O-CG2 3.1Å; I541-I544 PolarHBondContact O-N 3.45Å; I544-G546 VanDerWaalsContact C-N 3.34Å; I544-L547 HydrophobicContact CD1-CB 4.48Å; I544-L547 HydrophobicContact CD1-CD1 4.41Å; I544-L547 PolarHBondContact O-N 2.96Å; I544-T548 WeakPolarHBondContact O-CB 3.5Å; I544-T548 PolarHBondContact O-N 3.24Å; I544-T548 PolarHBondContact O-OG1 2.94Å; I544-L618 HydrophobicContact CD1-CD2 3.75Å; I544-E621 HydrophobicContact CD1-CB 3.97Å; I544-E621 HydrophobicContact CD1-CG 3.96Å; I544-E621 HydrophobicContact CG1-CB 4.36Å; I544-E621 HydrophobicContact CG1-CG 4.29Å; I544-H622 HydrophobicContact CG1-CB 3.91Å; I544-H622 HydrophobicContact CG2-CB 4.45Å; I544-Q625 HydrophobicContact CG2-CB 4.11Å; I544-Q625 HydrophobicContact CG2-CG 4.06Å
545	Q	93.3	Very high	92.7	Very high	92 Å²	92	70.4 Å²	70.4	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-37.2	171	-76.7	177.5	-8.7	0	0	111.9	I541 E542 E543 T548 T549	I541-Q545 HydrophobicContact CG2-CG 4.18Å; I541-Q545 WeakPolarHBondContact O-CB 3.43Å; I541-Q545 VanDerWaalsContact O-CG 3.26Å; I541-Q545 WeakPolarHBondContact O-CG 3.39Å; I541-Q545 PolarHBondContact O-N 3.46Å; E542-Q545 PolarHBondContact O-N 3.37Å; E543-Q545 VanDerWaalsContact C-N 3.35Å; E543-Q545 PolarHBondContact O-N 2.96Å; Q545-T548 PolarHBondContact O-N 3.46Å; Q545-T549 WeakPolarHBondContact O-CB 3.33Å; Q545-T549 PolarHBondContact O-N 3.47Å; Q545-T549 PolarHBondContact O-OG1 2.81Å
546	G	93.3	Very high	92.9	Very high	42 Å²	42	67.7 Å²	67.7	43%	0.433	37%	0.365	S	S	.	.	H	α-helix	trans	-59.7	-49.7	172	0	0	0	0	0	112.1	E542 E543 I544 T548 T549 A550	E542-G546 PolarHBondContact O-N 3.27Å; E543-G546 PolarHBondContact O-N 3.14Å; I544-G546 VanDerWaalsContact C-N 3.34Å; G546-T548 PolarHBondContact O-N 3.46Å; G546-T549 PolarHBondContact O-N 2.92Å; G546-A550 PolarHBondContact O-N 2.79Å
547	L	94.6	Very high	93	Very high	59 Å²	59	68.2 Å²	68.2	31%	0.309	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.4	-67.7	178.1	0	0	0	112.7	F536 V538 E543 I544 A550 H551 L618	F536-L547 HydrophobicContact CB-CD1 3.85Å; F536-L547 HydrophobicContact CD2-CD1 3.6Å; F536-L547 HydrophobicContact CE2-CD1 4.31Å; F536-L547 HydrophobicContact CG-CD1 3.8Å; V538-L547 HydrophobicContact CG1-CD1 3.79Å; E543-L547 PolarHBondContact O-N 3.31Å; I544-L547 HydrophobicContact CD1-CB 4.48Å; I544-L547 HydrophobicContact CD1-CD1 4.41Å; I544-L547 PolarHBondContact O-N 2.96Å; L547-A550 PolarHBondContact O-N 3.25Å; L547-H551 WeakPolarHBondContact O-CB 3.48Å; L547-H551 PolarHBondContact O-N 3.41Å; L547-L618 HydrophobicContact CB-CD2 3.85Å
548	T	93.9	Very high	93.2	Very high	45 Å²	45	62.8 Å²	62.8	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-44.4	175.3	-56.1	0	0	0	0	111	I544 Q545 G546 H551 E552	I544-T548 WeakPolarHBondContact O-CB 3.5Å; I544-T548 PolarHBondContact O-N 3.24Å; I544-T548 PolarHBondContact O-OG1 2.94Å; Q545-T548 PolarHBondContact O-N 3.46Å; G546-T548 PolarHBondContact O-N 3.46Å; T548-H551 PolarHBondContact O-N 3.08Å; T548-E552 WeakPolarHBondContact O-CG 3.48Å; T548-E552 PolarHBondContact O-N 3.44Å
549	T	94.9	Very high	93.3	Very high	74 Å²	74	66.5 Å²	66.5	45%	0.454	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-42.8	178.5	-57.8	0	0	0	0	111.6	Q545 G546 H551 E552 Q553	Q545-T549 WeakPolarHBondContact O-CB 3.33Å; Q545-T549 PolarHBondContact O-N 3.47Å; Q545-T549 PolarHBondContact O-OG1 2.81Å; G546-T549 PolarHBondContact O-N 2.92Å; T549-H551 VanDerWaalsContact C-N 3.3Å; T549-H551 PolarHBondContact O-N 3.4Å; T549-E552 PolarHBondContact O-N 3.29Å; T549-Q553 WeakPolarHBondContact O-CG 3.41Å; T549-Q553 PolarHBondContact O-N 2.93Å
550	A	93.1	Very high	93.6	Very high	52 Å²	52	66 Å²	66	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-41.1	174.6	0	0	0	0	0	111.6	G546 L547 Q553 F554	G546-A550 PolarHBondContact O-N 2.79Å; L547-A550 PolarHBondContact O-N 3.25Å; A550-Q553 PolarHBondContact O-N 2.93Å; A550-F554 PolarHBondContact O-N 2.64Å
551	H	95.8	Very high	94	Very high	13 Å²	13	64 Å²	64	6%	0.06	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-39.4	176.7	-171.6	56.6	0	0	0	112.8	L532 L547 T548 T549 F554 K555 D615 L618	L532-H551 VanDerWaalsContact CD2-CE1 3.44Å; L532-H551 WeakPolarHBondContact CD2-CE1 3.46Å; L547-H551 WeakPolarHBondContact O-CB 3.48Å; L547-H551 PolarHBondContact O-N 3.41Å; T548-H551 PolarHBondContact O-N 3.08Å; T549-H551 VanDerWaalsContact C-N 3.3Å; T549-H551 PolarHBondContact O-N 3.4Å; H551-F554 WeakPolarHBondContact O-CB 3.45Å; H551-F554 PolarHBondContact O-N 2.73Å; H551-K555 WeakPolarHBondContact O-CG 3.45Å; H551-K555 PolarHBondContact O-N 3.22Å; H551-D615 IonicContact CD2-OD1 2.75Å; H551-D615 PolarHBondContact CD2-OD1 2.91Å; H551-D615 IonicContact NE2-OD1 2.66Å; H551-D615 PolarHBondContact NE2-OD1 3.35Å; H551-D615 VanDerWaalsContact NE2-OD1 3.16Å; H551-D615 IonicContact NE2-OD2 3.56Å; H551-L618 HydrophobicContact CB-CD1 3.54Å
552	E	94.1	Very high	94.2	Very high	96 Å²	96	64.6 Å²	64.6	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-42	172.7	-70.9	-59.4	154	0	0	112.3	T548 T549 F554 K555 A556	T548-E552 WeakPolarHBondContact O-CG 3.48Å; T548-E552 PolarHBondContact O-N 3.44Å; T549-E552 PolarHBondContact O-N 3.29Å; E552-F554 VanDerWaalsContact C-N 3.34Å; E552-F554 PolarHBondContact O-N 3.33Å; E552-K555 VanDerWaalsContact CD-NZ 3.25Å; E552-K555 PolarHBondContact O-N 2.75Å; E552-K555 VanDerWaalsContact OE1-CE 3.3Å; E552-K555 WeakPolarHBondContact OE1-CE 3.44Å; E552-K555 IonicContact OE1-NZ 2.91Å; E552-K555 PolarHBondContact OE1-NZ 3.42Å; E552-K555 WeakPolarHBondContact OE2-CE 3.33Å; E552-K555 IonicContact OE2-NZ 3.47Å; E552-K555 PolarHBondContact OE2-NZ 3.44Å; E552-A556 PolarHBondContact O-N 3.48Å
553	Q	93.6	Very high	94.4	Very high	132 Å²	132	64.6 Å²	64.6	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-41.8	174.3	-71.8	176	2.5	0	0	111.6	T549 A550 A556	T549-Q553 WeakPolarHBondContact O-CG 3.41Å; T549-Q553 PolarHBondContact O-N 2.93Å; A550-Q553 PolarHBondContact O-N 2.93Å; Q553-A556 WeakPolarHBondContact O-CB 3.27Å; Q553-A556 PolarHBondContact O-N 3.3Å
554	F	95.6	Very high	94.5	Very high	37 Å²	37	63.3 Å²	63.3	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-47.9	173	170.1	-97.8	0	0	0	111.5	W524 A528 L532 A550 H551 E552 A556 T557 L558 V607 V611	W524-F554 AromaticContact CZ2-CE2 4Å; W524-F554 HydrophobicContact CZ2-CE2 4Å; W524-F554 HydrophobicContact CZ2-CZ 4.37Å; A528-F554 HydrophobicContact CB-CE2 3.81Å; A528-F554 HydrophobicContact CB-CZ 3.78Å; L532-F554 HydrophobicContact CD1-CE1 3.97Å; L532-F554 HydrophobicContact CD1-CZ 4.16Å; L532-F554 HydrophobicContact CD2-CD1 4.22Å; L532-F554 HydrophobicContact CD2-CE1 3.92Å; L532-F554 HydrophobicContact CG-CE1 4.2Å; A550-F554 PolarHBondContact O-N 2.64Å; H551-F554 WeakPolarHBondContact O-CB 3.45Å; H551-F554 PolarHBondContact O-N 2.73Å; E552-F554 VanDerWaalsContact C-N 3.34Å; E552-F554 PolarHBondContact O-N 3.33Å; F554-A556 PolarHBondContact O-N 3.03Å; F554-T557 WeakPolarHBondContact O-CB 3.27Å; F554-T557 PolarHBondContact O-N 3.19Å; F554-T557 PolarHBondContact O-OG1 2.91Å; F554-L558 HydrophobicContact CE1-CD2 3.97Å; F554-L558 HydrophobicContact CE1-CG 4.42Å; F554-L558 HydrophobicContact CZ-CD2 3.89Å; F554-V607 HydrophobicContact CZ-CG1 4.34Å; F554-V611 HydrophobicContact CE1-CG2 3.97Å
555	K	95.1	Very high	94.6	Very high	47 Å²	47	65 Å²	65	20%	0.204	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-35.1	177.6	-74	-172.3	-58.7	-168.7	0	112.6	H551 E552 T557 L558 V611 D615	H551-K555 WeakPolarHBondContact O-CG 3.45Å; H551-K555 PolarHBondContact O-N 3.22Å; E552-K555 VanDerWaalsContact CD-NZ 3.25Å; E552-K555 PolarHBondContact O-N 2.75Å; E552-K555 VanDerWaalsContact OE1-CE 3.3Å; E552-K555 WeakPolarHBondContact OE1-CE 3.44Å; E552-K555 IonicContact OE1-NZ 2.91Å; E552-K555 PolarHBondContact OE1-NZ 3.42Å; E552-K555 WeakPolarHBondContact OE2-CE 3.33Å; E552-K555 IonicContact OE2-NZ 3.47Å; E552-K555 PolarHBondContact OE2-NZ 3.44Å; K555-T557 PolarHBondContact O-N 2.81Å; K555-L558 HydrophobicContact CB-CD1 4.36Å; K555-L558 HydrophobicContact CG-CD1 4.27Å; K555-L558 WeakPolarHBondContact O-CB 3.41Å; K555-L558 PolarHBondContact O-N 2.9Å; K555-L558 VanDerWaalsContact O-N 3.17Å; K555-V611 HydrophobicContact CD-CG1 3.7Å; K555-V611 HydrophobicContact CG-CG1 3.81Å; K555-D615 IonicContact NZ-OD1 3.09Å; K555-D615 PolarHBondContact NZ-OD1 2.96Å; K555-D615 IonicContact NZ-OD2 3.25Å; K555-D615 PolarHBondContact NZ-OD2 2.7Å
556	A	94.9	Very high	94.7	Very high	72 Å²	72	65.3 Å²	65.3	60%	0.595	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-22.1	176.2	0	0	0	0	0	113.6	E552 Q553 F554 P559	E552-A556 PolarHBondContact O-N 3.48Å; Q553-A556 WeakPolarHBondContact O-CB 3.27Å; Q553-A556 PolarHBondContact O-N 3.3Å; F554-A556 PolarHBondContact O-N 3.03Å; A556-P559 WeakPolarHBondContact O-CD 3.49Å
557	T	94.4	Very high	94.8	Very high	61 Å²	61	65 Å²	65	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-83.5	-17	176.1	71.8	0	0	0	0	113.9	F554 K555 D560 A561	F554-T557 WeakPolarHBondContact O-CB 3.27Å; F554-T557 PolarHBondContact O-N 3.19Å; F554-T557 PolarHBondContact O-OG1 2.91Å; K555-T557 PolarHBondContact O-N 2.81Å; T557-D560 PolarHBondContact O-N 3.4Å; T557-A561 PolarHBondContact O-N 3.29Å
558	L	94.3	Very high	94.9	Very high	33 Å²	33	62.2 Å²	62.2	17%	0.173	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-39.9	-176.2	-64	173.8	0	0	0	114.2	W524 F554 K555 D560 A561 D562 W604 V607 V611	W524-L558 HydrophobicContact CH2-CD2 3.92Å; W524-L558 HydrophobicContact CZ2-CD2 4.36Å; F554-L558 HydrophobicContact CE1-CD2 3.97Å; F554-L558 HydrophobicContact CE1-CG 4.42Å; F554-L558 HydrophobicContact CZ-CD2 3.89Å; K555-L558 HydrophobicContact CB-CD1 4.36Å; K555-L558 HydrophobicContact CG-CD1 4.27Å; K555-L558 WeakPolarHBondContact O-CB 3.41Å; K555-L558 PolarHBondContact O-N 2.9Å; K555-L558 VanDerWaalsContact O-N 3.17Å; L558-D560 VanDerWaalsContact C-N 3.34Å; L558-D560 PolarHBondContact O-N 3.05Å; L558-A561 PolarHBondContact O-N 3.09Å; L558-D562 PolarHBondContact O-N 3.1Å; L558-W604 WeakPolarHBondContact O-CH2 3.37Å; L558-V607 HydrophobicContact CD2-CG1 4.41Å; L558-V611 HydrophobicContact CD1-CG1 4.35Å; L558-V611 HydrophobicContact CD1-CG2 3.89Å
559	P	94.9	Very high	94.9	Very high	86 Å²	86	61.1 Å²	61.1	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-62.5	-39.4	177.2	-23.6	35.3	0	0	0	113.1	A556 D562 K563	A556-P559 WeakPolarHBondContact O-CD 3.49Å; P559-D562 PolarHBondContact O-N 3.03Å; P559-K563 PolarHBondContact O-N 2.96Å
560	D	94	Very high	94.9	Very high	115 Å²	115	59.2 Å²	59.2	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-70.4	-37.2	177	-73.2	-27.5	0	0	0	111.2	T557 L558 K563 E564	T557-D560 PolarHBondContact O-N 3.4Å; L558-D560 VanDerWaalsContact C-N 3.34Å; L558-D560 PolarHBondContact O-N 3.05Å; D560-K563 WeakPolarHBondContact O-CB 3.4Å; D560-K563 PolarHBondContact O-N 3.33Å; D560-E564 PolarHBondContact O-N 3.25Å
561	A	94.5	Very high	94.9	Very high	10 Å²	10	57.4 Å²	57.4	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-38.7	172.9	0	0	0	0	0	112.4	F521 W524 T557 L558 E564 R565 W604	F521-A561 HydrophobicContact CE2-CB 4.16Å; F521-A561 VanDerWaalsContact CE2-O 3.28Å; F521-A561 WeakPolarHBondContact CE2-O 3.29Å; F521-A561 WeakPolarHBondContact CZ-O 3.27Å; W524-A561 HydrophobicContact CE3-CB 4.4Å; W524-A561 HydrophobicContact CH2-CB 3.46Å; W524-A561 VanDerWaalsContact CH2-CB 3.46Å; W524-A561 HydrophobicContact CZ2-CB 3.75Å; W524-A561 HydrophobicContact CZ3-CB 3.82Å; T557-A561 PolarHBondContact O-N 3.29Å; L558-A561 PolarHBondContact O-N 3.09Å; A561-E564 PolarHBondContact O-N 2.93Å; A561-R565 PolarHBondContact O-N 2.91Å; A561-W604 HydrophobicContact CB-CH2 3.94Å; A561-W604 HydrophobicContact CB-CZ3 3.73Å
562	D	95.4	Very high	94.7	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-67.7	-37	174.8	-164.7	39	0	0	0	111.7	L558 P559 E564 R565 L566 W604	L558-D562 PolarHBondContact O-N 3.1Å; P559-D562 PolarHBondContact O-N 3.03Å; D562-E564 VanDerWaalsContact C-N 3.32Å; D562-E564 PolarHBondContact O-N 3.35Å; D562-R565 WeakPolarHBondContact O-CB 3.33Å; D562-R565 PolarHBondContact O-N 3.46Å; D562-R565 IonicContact OD1-CZ 2.89Å; D562-R565 IonicContact OD1-NE 2.62Å; D562-R565 PolarHBondContact OD1-NE 2.88Å; D562-R565 IonicContact OD1-NH2 3.82Å; D562-R565 PolarHBondContact OD1-NH2 2.76Å; D562-R565 IonicContact OD2-NH2 3.97Å; D562-L566 WeakPolarHBondContact O-CG 3.28Å; D562-L566 PolarHBondContact O-N 2.97Å; D562-W604 HydrophobicContact CB-CH2 3.76Å; D562-W604 HydrophobicContact CB-CZ2 3.48Å; D562-W604 VanDerWaalsContact CB-CZ2 3.48Å
563	K	95.3	Very high	94.6	Very high	149 Å²	149	58.8 Å²	58.8	65%	0.648	32%	0.323	S	S	*	.	H	α-helix	trans	-61.2	-41.6	172.7	-174.4	-176.3	177.8	-176.4	0	111.5	P559 D560 L566 A567	P559-K563 PolarHBondContact O-N 2.96Å; D560-K563 WeakPolarHBondContact O-CB 3.4Å; D560-K563 PolarHBondContact O-N 3.33Å; K563-L566 PolarHBondContact O-N 3.27Å; K563-A567 WeakPolarHBondContact O-CB 3.41Å; K563-A567 PolarHBondContact O-N 3.36Å
564	E	96.1	Very high	94.5	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-44.8	175.1	-173.8	58.7	-157.6	0	0	111.3	R517 F521 D560 A561 D562 L566 A567 I568	R517-E564 IonicContact CZ-OE1 2.78Å; R517-E564 VanDerWaalsContact CZ-OE1 3.24Å; R517-E564 IonicContact CZ-OE2 3.72Å; R517-E564 IonicContact NE-OE1 3.19Å; R517-E564 PolarHBondContact NE-OE1 3.33Å; R517-E564 IonicContact NH2-OE1 2.86Å; R517-E564 PolarHBondContact NH2-OE1 3.12Å; R517-E564 IonicContact NH2-OE2 3.75Å; R517-E564 PolarHBondContact NH2-OE2 3.19Å; F521-E564 HydrophobicContact CD2-CB 4.32Å; F521-E564 HydrophobicContact CD2-CG 3.98Å; F521-E564 HydrophobicContact CE2-CB 4.3Å; F521-E564 HydrophobicContact CE2-CG 4.45Å; D560-E564 PolarHBondContact O-N 3.25Å; A561-E564 PolarHBondContact O-N 2.93Å; D562-E564 VanDerWaalsContact C-N 3.32Å; D562-E564 PolarHBondContact O-N 3.35Å; E564-L566 PolarHBondContact O-N 3.01Å; E564-A567 PolarHBondContact O-N 3.45Å; E564-I568 HydrophobicContact CG-CD1 4.02Å; E564-I568 WeakPolarHBondContact O-CG1 3.42Å; E564-I568 PolarHBondContact O-N 3.16Å
565	R	95.8	Very high	94.3	Very high	36 Å²	36	54.6 Å²	54.6	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-54.5	-50.4	173.3	-172.5	-173.3	64.9	84.9	6.1	111.7	F521 A561 D562 A567 I568 L569 I600 N601 W604	F521-R565 HydrophobicContact CE1-CB 3.79Å; F521-R565 HydrophobicContact CE1-CG 4Å; F521-R565 HydrophobicContact CZ-CB 3.66Å; F521-R565 HydrophobicContact CZ-CG 4.29Å; A561-R565 PolarHBondContact O-N 2.91Å; D562-R565 WeakPolarHBondContact O-CB 3.33Å; D562-R565 PolarHBondContact O-N 3.46Å; D562-R565 IonicContact OD1-CZ 2.89Å; D562-R565 IonicContact OD1-NE 2.62Å; D562-R565 PolarHBondContact OD1-NE 2.88Å; D562-R565 IonicContact OD1-NH2 3.82Å; D562-R565 PolarHBondContact OD1-NH2 2.76Å; D562-R565 IonicContact OD2-NH2 3.97Å; R565-A567 VanDerWaalsContact C-N 3.29Å; R565-A567 PolarHBondContact O-N 3.24Å; R565-I568 PolarHBondContact O-N 2.75Å; R565-L569 HydrophobicContact CG-CD1 4.2Å; R565-L569 VanDerWaalsContact O-CG 3.31Å; R565-L569 WeakPolarHBondContact O-CG 3.16Å; R565-L569 PolarHBondContact O-N 3.02Å; R565-I600 HydrophobicContact CG-CG2 3.95Å; R565-N601 PolarHBondContact NH1-OD1 2.91Å; R565-W604 VanDerWaalsContact CD-CG 3.43Å
566	L	95.8	Very high	94	Very high	98 Å²	98	54.9 Å²	54.9	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-38.4	179.8	-72.2	174.1	0	0	0	112	D562 K563 E564 G570	D562-L566 WeakPolarHBondContact O-CG 3.28Å; D562-L566 PolarHBondContact O-N 2.97Å; K563-L566 PolarHBondContact O-N 3.27Å; E564-L566 PolarHBondContact O-N 3.01Å; L566-G570 PolarHBondContact O-N 2.96Å
567	A	95.7	Very high	93.8	Very high	36 Å²	36	56.7 Å²	56.7	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-67.3	-42.7	175.9	0	0	0	0	0	112.2	K563 E564 R565 G570 I571	K563-A567 WeakPolarHBondContact O-CB 3.41Å; K563-A567 PolarHBondContact O-N 3.36Å; E564-A567 PolarHBondContact O-N 3.45Å; R565-A567 VanDerWaalsContact C-N 3.29Å; R565-A567 PolarHBondContact O-N 3.24Å; A567-G570 PolarHBondContact O-N 3.41Å; A567-I571 WeakPolarHBondContact O-CG1 3.03Å; A567-I571 PolarHBondContact O-N 3.41Å; A567-I571 VanDerWaalsContact O-N 3.14Å
568	I	95.5	Very high	93.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-47.3	174.7	-68.7	166	0	0	0	110.7	Y514 R517 A518 F521 E564 R565 G570 I571 H572 I600	Y514-I568 HydrophobicContact CD2-CG2 3.64Å; Y514-I568 WeakPolarHBondContact CD2-O 3.37Å; Y514-I568 HydrophobicContact CE2-CG2 3.46Å; Y514-I568 VanDerWaalsContact CE2-CG2 3.46Å; R517-I568 HydrophobicContact CB-CD1 4.05Å; R517-I568 HydrophobicContact CB-CG1 3.73Å; A518-I568 HydrophobicContact CB-CG2 4.36Å; F521-I568 HydrophobicContact CB-CD1 3.63Å; F521-I568 HydrophobicContact CD1-CD1 3.83Å; F521-I568 HydrophobicContact CD2-CD1 4.5Å; F521-I568 HydrophobicContact CG-CD1 3.72Å; E564-I568 HydrophobicContact CG-CD1 4.02Å; E564-I568 WeakPolarHBondContact O-CG1 3.42Å; E564-I568 PolarHBondContact O-N 3.16Å; R565-I568 PolarHBondContact O-N 2.75Å; I568-G570 VanDerWaalsContact C-N 3.31Å; I568-G570 PolarHBondContact O-N 3.41Å; I568-I571 PolarHBondContact O-N 3.46Å; I568-H572 PolarHBondContact O-N 2.92Å; I568-I600 HydrophobicContact CG2-CD1 3.87Å
569	L	94.3	Very high	93.2	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-35.6	176.7	-65.4	176.8	0	0	0	112.2	R565 I571 H572 N573 P597 N601	R565-L569 HydrophobicContact CG-CD1 4.2Å; R565-L569 VanDerWaalsContact O-CG 3.31Å; R565-L569 WeakPolarHBondContact O-CG 3.16Å; R565-L569 PolarHBondContact O-N 3.02Å; L569-I571 VanDerWaalsContact C-N 3.31Å; L569-I571 PolarHBondContact O-N 3.22Å; L569-H572 PolarHBondContact O-N 3.15Å; L569-N573 WeakPolarHBondContact O-CB 3.44Å; L569-N573 VanDerWaalsContact O-CG 3.22Å; L569-N573 PolarHBondContact O-N 3.33Å; L569-N573 PolarHBondContact O-ND2 3.16Å; L569-P597 HydrophobicContact CD2-CB 3.66Å; L569-N601 WeakPolarHBondContact CD1-OD1 3.39Å
570	G	94.4	Very high	92.9	Very high	34 Å²	34	58.1 Å²	58.1	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-42.1	174.8	0	0	0	0	0	112.8	L566 A567 I568 N573 E574	L566-G570 PolarHBondContact O-N 2.96Å; A567-G570 PolarHBondContact O-N 3.41Å; I568-G570 VanDerWaalsContact C-N 3.31Å; I568-G570 PolarHBondContact O-N 3.41Å; G570-N573 PolarHBondContact O-N 2.95Å; G570-E574 PolarHBondContact O-N 3.43Å
571	I	94.6	Very high	92.6	Very high	14 Å²	14	56.7 Å²	56.7	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-48.6	176.5	-63.7	164	0	0	0	110.7	L510 E513 A567 I568 L569 N573 E574 V575	L510-I571 HydrophobicContact CB-CG2 4.02Å; L510-I571 HydrophobicContact CD2-CG2 4.1Å; L510-I571 WeakPolarHBondContact O-CG2 3.33Å; E513-I571 HydrophobicContact CB-CD1 4.42Å; E513-I571 HydrophobicContact CG-CD1 3.87Å; E513-I571 WeakPolarHBondContact OE1-CD1 3.43Å; A567-I571 WeakPolarHBondContact O-CG1 3.03Å; A567-I571 PolarHBondContact O-N 3.41Å; A567-I571 VanDerWaalsContact O-N 3.14Å; I568-I571 PolarHBondContact O-N 3.46Å; L569-I571 VanDerWaalsContact C-N 3.31Å; L569-I571 PolarHBondContact O-N 3.22Å; I571-N573 VanDerWaalsContact C-N 3.32Å; I571-N573 PolarHBondContact O-N 3.5Å; I571-E574 PolarHBondContact O-N 2.92Å; I571-V575 PolarHBondContact O-N 3.07Å; I571-V575 VanDerWaalsContact O-N 3.13Å
572	H	91.3	Very high	92.2	Very high	40 Å²	40	61.5 Å²	61.5	19%	0.185	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-37.9	179.2	-177.8	83	0	0	0	112.7	Y514 I568 L569 V575 S576 P597	Y514-H572 HydrophobicContact CD2-CB 4.01Å; Y514-H572 HydrophobicContact CE2-CB 4.08Å; I568-H572 PolarHBondContact O-N 2.92Å; L569-H572 PolarHBondContact O-N 3.15Å; H572-V575 PolarHBondContact O-N 3.46Å; H572-S576 PolarHBondContact O-N 3.33Å; H572-S576 PolarHBondContact O-OG 3.41Å; H572-P597 HydrophobicContact CB-CG 4.18Å
573	N	91.7	Very high	91.6	Very high	98 Å²	98	67 Å²	67	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-39.2	176.7	-70.9	-21.9	0	0	0	112	L569 G570 I571 S576 K577	L569-N573 WeakPolarHBondContact O-CB 3.44Å; L569-N573 VanDerWaalsContact O-CG 3.22Å; L569-N573 PolarHBondContact O-N 3.33Å; L569-N573 PolarHBondContact O-ND2 3.16Å; G570-N573 PolarHBondContact O-N 2.95Å; I571-N573 VanDerWaalsContact C-N 3.32Å; I571-N573 PolarHBondContact O-N 3.5Å; N573-S576 PolarHBondContact O-N 3.02Å; N573-K577 WeakPolarHBondContact O-CB 3.44Å; N573-K577 PolarHBondContact O-N 2.85Å
574	E	91.8	Very high	90.8	Very high	81 Å²	81	60.9 Å²	60.9	38%	0.379	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-39.7	176.9	-162.8	63.1	-158	0	0	111.2	G570 I571 S576 K577 I578	G570-E574 PolarHBondContact O-N 3.43Å; I571-E574 PolarHBondContact O-N 2.92Å; E574-S576 PolarHBondContact O-N 3.31Å; E574-K577 PolarHBondContact O-N 3.25Å; E574-K577 IonicContact OE1-NZ 2.75Å; E574-K577 PolarHBondContact OE1-NZ 3.17Å; E574-K577 VanDerWaalsContact OE1-NZ 3.12Å; E574-K577 IonicContact OE2-NZ 3.36Å; E574-K577 PolarHBondContact OE2-NZ 3.36Å; E574-I578 HydrophobicContact CG-CD1 4.35Å; E574-I578 VanDerWaalsContact O-CG1 3.29Å; E574-I578 WeakPolarHBondContact O-CG1 3.28Å; E574-I578 PolarHBondContact O-N 3.45Å
575	V	91.1	Very high	89.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.9	-49.3	171.8	174.6	0	0	0	0	111.1	I507 L510 Y511 I571 H572 K577 I578 V579	I507-V575 HydrophobicContact CG2-CG1 3.91Å; L510-V575 HydrophobicContact CB-CG2 3.38Å; L510-V575 HydrophobicContact CD1-CG2 3.79Å; L510-V575 HydrophobicContact CG-CG2 4.23Å; Y511-V575 HydrophobicContact CD1-CG1 4.38Å; Y511-V575 HydrophobicContact CD1-CG2 4.45Å; Y511-V575 HydrophobicContact CE1-CB 4.43Å; Y511-V575 HydrophobicContact CE1-CG1 3.76Å; Y511-V575 HydrophobicContact CE2-CG1 3.92Å; I571-V575 PolarHBondContact O-N 3.07Å; I571-V575 VanDerWaalsContact O-N 3.13Å; H572-V575 PolarHBondContact O-N 3.46Å; V575-K577 VanDerWaalsContact C-N 3.28Å; V575-K577 PolarHBondContact O-N 3.12Å; V575-I578 PolarHBondContact O-N 2.88Å; V575-V579 HydrophobicContact CG1-CG2 4.46Å; V575-V579 WeakPolarHBondContact O-CG2 3.09Å; V575-V579 PolarHBondContact O-N 3.41Å
576	S	89.1	Confident	88.2	Confident	53 Å²	53	64.2 Å²	64.2	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-39.7	179.3	-60.5	0	0	0	0	112.1	H572 N573 E574 Q580	H572-S576 PolarHBondContact O-N 3.33Å; H572-S576 PolarHBondContact O-OG 3.41Å; N573-S576 PolarHBondContact O-N 3.02Å; E574-S576 PolarHBondContact O-N 3.31Å; S576-Q580 WeakPolarHBondContact O-CB 3.3Å; S576-Q580 PolarHBondContact O-N 3.28Å
577	K	90.4	Very high	86.5	Confident	111 Å²	111	63.4 Å²	63.4	48%	0.483	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-42.1	177	178.9	-175.8	166.4	-151.9	0	112.6	N573 E574 V575 Q580 T581	N573-K577 WeakPolarHBondContact O-CB 3.44Å; N573-K577 PolarHBondContact O-N 2.85Å; E574-K577 PolarHBondContact O-N 3.25Å; E574-K577 IonicContact OE1-NZ 2.75Å; E574-K577 PolarHBondContact OE1-NZ 3.17Å; E574-K577 VanDerWaalsContact OE1-NZ 3.12Å; E574-K577 IonicContact OE2-NZ 3.36Å; E574-K577 PolarHBondContact OE2-NZ 3.36Å; V575-K577 VanDerWaalsContact C-N 3.28Å; V575-K577 PolarHBondContact O-N 3.12Å; K577-Q580 PolarHBondContact O-N 2.97Å; K577-T581 WeakPolarHBondContact O-CB 3.44Å; K577-T581 PolarHBondContact O-N 2.93Å; K577-T581 PolarHBondContact O-OG1 3.18Å
578	I	89.5	Confident	85	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.108	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-48.7	176	-68.5	166.9	0	0	0	109.6	L503 T506 I507 L510 E574 V575 Q580 T581 Y582	L503-I578 HydrophobicContact CD2-CG2 4.19Å; T506-I578 HydrophobicContact CG2-CD1 4.12Å; I507-I578 HydrophobicContact CD1-CG2 4.02Å; I507-I578 HydrophobicContact CG1-CG2 3.99Å; L510-I578 HydrophobicContact CD1-CD1 3.87Å; E574-I578 HydrophobicContact CG-CD1 4.35Å; E574-I578 VanDerWaalsContact O-CG1 3.29Å; E574-I578 WeakPolarHBondContact O-CG1 3.28Å; E574-I578 PolarHBondContact O-N 3.45Å; V575-I578 PolarHBondContact O-N 2.88Å; I578-Q580 PolarHBondContact O-N 3.02Å; I578-T581 PolarHBondContact O-N 3.05Å; I578-Y582 HydrophobicContact CG2-CD2 4.07Å; I578-Y582 WeakPolarHBondContact O-CD2 3.31Å; I578-Y582 PolarHBondContact O-N 3.34Å
579	V	86.8	Confident	84.2	Confident	35 Å²	35	69.7 Å²	69.7	21%	0.212	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-46.6	178.7	171.4	0	0	0	0	111.1	I507 V575 H583 V584	I507-V579 HydrophobicContact CD1-CG2 3.86Å; V575-V579 HydrophobicContact CG1-CG2 4.46Å; V575-V579 WeakPolarHBondContact O-CG2 3.09Å; V575-V579 PolarHBondContact O-N 3.41Å; V579-H583 WeakPolarHBondContact O-CA 3.25Å; V579-H583 PolarHBondContact O-N 3.47Å; V579-V584 PolarHBondContact O-N 3.3Å
580	Q	87.3	Confident	83.9	Confident	154 Å²	154	69.9 Å²	69.9	72%	0.72	39%	0.391	S	S	*	.	H	α-helix	trans	-66.2	-37.8	179.4	-169.6	177.2	14.8	0	0	113	S576 K577 I578	S576-Q580 WeakPolarHBondContact O-CB 3.3Å; S576-Q580 PolarHBondContact O-N 3.28Å; K577-Q580 PolarHBondContact O-N 2.97Å; I578-Q580 PolarHBondContact O-N 3.02Å
581	T	89	Confident	83.7	Confident	85 Å²	85	72.5 Å²	72.5	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-70.8	-44.1	-178	-56.4	0	0	0	0	111.4	K577 I578 H583	K577-T581 WeakPolarHBondContact O-CB 3.44Å; K577-T581 PolarHBondContact O-N 2.93Å; K577-T581 PolarHBondContact O-OG1 3.18Å; I578-T581 PolarHBondContact O-N 3.05Å; T581-H583 PolarHBondContact O-ND1 3.49Å
582	Y	86.1	Confident	83.6	Confident	111 Å²	111	76.8 Å²	76.8	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-99.1	1.7	-173.8	-65.1	-73.8	0	0	0	114.1	R499 L503 I578 V584	R499-Y582 VanDerWaalsContact NH2-CE1 3.3Å; L503-Y582 HydrophobicContact CD1-CD1 4.1Å; L503-Y582 HydrophobicContact CD1-CD2 4.25Å; L503-Y582 HydrophobicContact CD1-CG 3.81Å; L503-Y582 HydrophobicContact CD2-CD2 3.69Å; L503-Y582 HydrophobicContact CD2-CE2 3.81Å; L503-Y582 HydrophobicContact CD2-CG 4.1Å; I578-Y582 HydrophobicContact CG2-CD2 4.07Å; I578-Y582 WeakPolarHBondContact O-CD2 3.31Å; I578-Y582 PolarHBondContact O-N 3.34Å; Y582-V584 PolarHBondContact O-N 2.68Å
583	H	81.4	Confident	83.7	Confident	165 Å²	165	76.2 Å²	76.2	76%	0.764	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	179.1	-59.5	65.7	0	0	0	112.5	V579 T581 N585	V579-H583 WeakPolarHBondContact O-CA 3.25Å; V579-H583 PolarHBondContact O-N 3.47Å; T581-H583 PolarHBondContact O-ND1 3.49Å; H583-N585 PolarHBondContact O-N 3.5Å
584	V	78.6	Confident	83.7	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.115	43%	0.429	C	S	.	.			trans	-73.9	127.5	-179.1	-176.1	0	0	0	0	108.6	L503 L504 V579 Y582 M586	L503-V584 HydrophobicContact CD1-CG2 4.29Å; L504-V584 HydrophobicContact CD2-CG1 3.69Å; V579-V584 PolarHBondContact O-N 3.3Å; Y582-V584 PolarHBondContact O-N 2.68Å; V584-M586 PolarHBondContact O-N 2.95Å
585	N	70.3	Confident	83.8	Confident	122 Å²	122	74.9 Å²	74.9	65%	0.652	42%	0.417	S	S	*	.			trans	-82.8	64.6	-174.9	-146.2	5.5	0	0	0	111	H583	H583-N585 PolarHBondContact O-N 3.5Å
586	M	67.4	Low	83.9	Confident	50 Å²	50	77.2 Å²	77.2	25%	0.246	43%	0.432	C	S	.	.			trans	-100.5	125.3	176.1	-157.3	77.2	159.3	0	0	108.6	L504 V584 G588	L504-M586 HydrophobicContact CD2-CE 4.48Å; L504-M586 HydrophobicContact CD2-SD 3.89Å; V584-M586 PolarHBondContact O-N 2.95Å; M586-G588 PolarHBondContact O-N 3.11Å
587	A	60.1	Low	84	Confident	80 Å²	80	76 Å²	76	66%	0.661	42%	0.422	S	S	*	.			trans	-57.6	114.3	169.1	0	0	0	0	0	107.6	T589	A587-T589 PolarHBondContact O-N 3.41Å
588	G	64.3	Low	84.1	Confident	58 Å²	58	78.5 Å²	78.5	60%	0.598	44%	0.436	S	S	*	.	S	Bend	trans	-68.5	34.2	-163.1	0	0	0	0	0	116.8	M586	M586-G588 PolarHBondContact O-N 3.11Å
589	T	79.4	Confident	84.3	Confident	110 Å²	110	81.9 Å²	81.9	68%	0.675	45%	0.451	S	S	*	.	S	Bend	trans	-116.3	132.5	-179	46.6	0	0	0	0	110.3	A587	A587-T589 PolarHBondContact O-N 3.41Å
590	N	88.2	Confident	84.6	Confident	26 Å²	26	80.2 Å²	80.2	14%	0.139	44%	0.441	C	S	.	.			trans	-67	124.1	177.5	-172.5	-31.1	0	0	0	110.3	Y511 Y514 Y592 T593	Y511-N590 HydrophobicContact CD1-CB 3.64Å; Y511-N590 WeakPolarHBondContact CD1-ND2 3.18Å; Y511-N590 HydrophobicContact CE1-CB 3.94Å; Y511-N590 HydrophobicContact CG-CB 4.22Å; Y511-N590 PolarHBondContact O-ND2 3.08Å; Y514-N590 VanDerWaalsContact CD1-ND2 3.27Å; Y514-N590 WeakPolarHBondContact CD1-ND2 3.33Å; N590-Y592 VanDerWaalsContact C-N 3.32Å; N590-Y592 PolarHBondContact O-N 3.34Å; N590-Y592 WeakPolarHBondContact OD1-CB 3.47Å; N590-Y592 PolarHBondContact OD1-N 2.87Å; N590-T593 HydrophobicContact CB-CG2 4.44Å
591	P	89.3	Confident	85	Confident	89 Å²	89	75.3 Å²	75.3	58%	0.578	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.6	-179.1	30.8	-34.7	0	0	0	114.1
592	Y	92.6	Very high	85.3	Confident	105 Å²	105	73.4 Å²	73.4	41%	0.412	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.5	-171.7	-59	-67.5	0	0	0	114.6	D508 L512 N590	D508-Y592 WeakPolarHBondContact OD1-CE2 3.47Å; D508-Y592 PolarHBondContact OD1-OH 2.92Å; D508-Y592 PolarHBondContact OD2-OH 3.22Å; L512-Y592 HydrophobicContact CB-CD2 4.07Å; L512-Y592 HydrophobicContact CB-CE2 4.07Å; L512-Y592 HydrophobicContact CD1-CD1 4Å; L512-Y592 HydrophobicContact CD1-CD2 4.31Å; L512-Y592 HydrophobicContact CD1-CE1 4.3Å; L512-Y592 HydrophobicContact CD1-CG 4.02Å; N590-Y592 VanDerWaalsContact C-N 3.32Å; N590-Y592 PolarHBondContact O-N 3.34Å; N590-Y592 WeakPolarHBondContact OD1-CB 3.47Å; N590-Y592 PolarHBondContact OD1-N 2.87Å
593	T	93.4	Very high	85.7	Confident	28 Å²	28	70.6 Å²	70.6	17%	0.172	41%	0.407	C	S	.	.			trans	-153.5	148.1	179.4	-174.4	0	0	0	0	111.3	Y514 A515 N590 I595	Y514-T593 HydrophobicContact CD1-CG2 3.87Å; Y514-T593 HydrophobicContact CE1-CG2 3.74Å; A515-T593 HydrophobicContact CB-CG2 3.69Å; N590-T593 HydrophobicContact CB-CG2 4.44Å; T593-I595 PolarHBondContact OG1-N 2.86Å; T593-I595 VanDerWaalsContact OG1-N 3.16Å
594	T	91.9	Very high	86.4	Confident	126 Å²	126	63.8 Å²	63.8	77%	0.773	37%	0.374	S	S	*	.	S	Bend	trans	-83.3	-14.8	171.4	55.7	0	0	0	0	112.5	T596	T594-T596 PolarHBondContact O-N 3.39Å
595	I	93.4	Very high	87.2	Confident	24 Å²	24	66.5 Å²	66.5	12%	0.123	39%	0.388	C	S	.	.			trans	-74.1	112.3	-172.4	-59.1	164.1	0	0	0	110	Y514 N522 T593 E599 I600	Y514-I595 VanDerWaalsContact CE1-O 3.31Å; Y514-I595 WeakPolarHBondContact CE1-O 3.42Å; Y514-I595 PolarHBondContact OH-O 3.37Å; N522-I595 HydrophobicContact CB-CD1 3.75Å; T593-I595 PolarHBondContact OG1-N 2.86Å; T593-I595 VanDerWaalsContact OG1-N 3.16Å; I595-E599 WeakPolarHBondContact CA-OE2 3.49Å; I595-I600 HydrophobicContact CG2-CD1 3.99Å; I595-I600 HydrophobicContact CG2-CG1 3.64Å
596	T	92.8	Very high	88.4	Confident	50 Å²	50	64.2 Å²	64.2	31%	0.307	37%	0.374	S	S	.	.			trans	-87.8	155.9	-177.4	69.3	0	0	0	0	112.6	Y514 T594 Q598 E599 I600	Y514-T596 VanDerWaalsContact OH-C 3.23Å; T594-T596 PolarHBondContact O-N 3.39Å; T596-Q598 PolarHBondContact O-N 3Å; T596-E599 PolarHBondContact N-OE2 3.04Å; T596-E599 PolarHBondContact O-N 2.72Å; T596-E599 VanDerWaalsContact O-N 3.12Å; T596-E599 WeakPolarHBondContact OG1-CG 3.39Å; T596-E599 PolarHBondContact OG1-N 3.16Å; T596-I600 PolarHBondContact O-N 3.11Å
597	P	92.8	Very high	89.7	Confident	26 Å²	26	61.9 Å²	61.9	17%	0.169	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-30.1	172.6	-27.5	35.5	0	0	0	113.3	Y514 L569 H572 N601	Y514-P597 HydrophobicContact CE2-CG 4.2Å; Y514-P597 WeakPolarHBondContact OH-CD 3.4Å; Y514-P597 VanDerWaalsContact OH-N 3.11Å; L569-P597 HydrophobicContact CD2-CB 3.66Å; H572-P597 HydrophobicContact CB-CG 4.18Å; P597-N601 PolarHBondContact O-N 2.77Å; P597-N601 VanDerWaalsContact O-N 3.17Å; P597-N601 PolarHBondContact O-ND2 3.27Å
598	Q	91.3	Very high	91.4	Very high	164 Å²	164	66.4 Å²	66.4	77%	0.766	36%	0.362	S	S	*	.	H	α-helix	trans	-69.6	-43.9	177.2	-67.1	176.6	-15.9	0	0	111.2	T596 N601 G602	T596-Q598 PolarHBondContact O-N 3Å; Q598-N601 PolarHBondContact O-N 3.03Å; Q598-G602 PolarHBondContact O-N 3.26Å
599	E	93.7	Very high	92.8	Very high	92 Å²	92	68.9 Å²	68.9	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-43	174.9	-74.4	166.5	-165.4	0	0	112.2	I595 T596 N601 G602 K603	I595-E599 WeakPolarHBondContact CA-OE2 3.49Å; T596-E599 PolarHBondContact N-OE2 3.04Å; T596-E599 PolarHBondContact O-N 2.72Å; T596-E599 VanDerWaalsContact O-N 3.12Å; T596-E599 WeakPolarHBondContact OG1-CG 3.39Å; T596-E599 PolarHBondContact OG1-N 3.16Å; E599-N601 PolarHBondContact O-N 3.25Å; E599-G602 PolarHBondContact O-N 3.24Å; E599-K603 PolarHBondContact O-N 2.94Å
600	I	94.6	Very high	93.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-48	176.8	-69.6	-179.8	0	0	0	110.8	Y514 A518 F521 M525 R565 I568 I595 T596 K603 W604	Y514-I600 HydrophobicContact CE2-CD1 4.46Å; Y514-I600 WeakPolarHBondContact OH-CD1 3.45Å; A518-I600 HydrophobicContact CB-CD1 3.89Å; F521-I600 HydrophobicContact CD1-CG2 4.08Å; F521-I600 HydrophobicContact CE1-CG2 3.83Å; M525-I600 HydrophobicContact CE-CB 4.38Å; M525-I600 HydrophobicContact CE-CG1 4.37Å; M525-I600 HydrophobicContact CE-CG2 4.07Å; R565-I600 HydrophobicContact CG-CG2 3.95Å; I568-I600 HydrophobicContact CG2-CD1 3.87Å; I595-I600 HydrophobicContact CG2-CD1 3.99Å; I595-I600 HydrophobicContact CG2-CG1 3.64Å; T596-I600 PolarHBondContact O-N 3.11Å; I600-K603 PolarHBondContact O-N 3.17Å; I600-W604 VanDerWaalsContact O-CB 3.31Å; I600-W604 WeakPolarHBondContact O-CB 3.45Å; I600-W604 PolarHBondContact O-N 3.25Å
601	N	94.9	Very high	93.9	Very high	52 Å²	52	63.6 Å²	63.6	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.6	-77.2	-37	0	0	0	112	R565 L569 P597 Q598 E599 W604 D605	R565-N601 PolarHBondContact NH1-OD1 2.91Å; L569-N601 WeakPolarHBondContact CD1-OD1 3.39Å; P597-N601 PolarHBondContact O-N 2.77Å; P597-N601 VanDerWaalsContact O-N 3.17Å; P597-N601 PolarHBondContact O-ND2 3.27Å; Q598-N601 PolarHBondContact O-N 3.03Å; E599-N601 PolarHBondContact O-N 3.25Å; N601-W604 PolarHBondContact O-N 2.93Å; N601-D605 PolarHBondContact O-N 3.4Å
602	G	94.8	Very high	94.1	Very high	44 Å²	44	62.8 Å²	62.8	45%	0.454	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-45.7	177.1	0	0	0	0	0	113.1	Q598 E599 D605 H606	Q598-G602 PolarHBondContact O-N 3.26Å; E599-G602 PolarHBondContact O-N 3.24Å; G602-D605 PolarHBondContact O-N 2.96Å; G602-H606 PolarHBondContact O-N 2.7Å; G602-H606 VanDerWaalsContact O-N 3.13Å
603	K	94.6	Very high	94.2	Very high	53 Å²	53	65.6 Å²	65.6	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-40.5	176.6	-72.9	-174.9	-179.7	179.2	0	112	N522 M525 E526 M529 E599 I600 D605 H606 V607	N522-K603 WeakPolarHBondContact OD1-CD 3.43Å; N522-K603 PolarHBondContact OD1-NZ 3.1Å; M525-K603 HydrophobicContact CB-CB 4.3Å; M525-K603 HydrophobicContact CE-CB 3.99Å; M525-K603 HydrophobicContact CE-CD 4.46Å; M525-K603 HydrophobicContact SD-CB 3.77Å; E526-K603 IonicContact OE1-NZ 3.88Å; E526-K603 PolarHBondContact OE1-NZ 3.5Å; M529-K603 HydrophobicContact CE-CD 4.31Å; M529-K603 HydrophobicContact CE-CG 4.32Å; E599-K603 PolarHBondContact O-N 2.94Å; I600-K603 PolarHBondContact O-N 3.17Å; K603-D605 VanDerWaalsContact C-N 3.35Å; K603-D605 PolarHBondContact O-N 2.68Å; K603-H606 WeakPolarHBondContact O-CB 3.47Å; K603-H606 PolarHBondContact O-N 3.04Å; K603-H606 VanDerWaalsContact O-N 3.14Å; K603-V607 PolarHBondContact O-N 3.04Å
604	W	96.9	Very high	94.2	Very high	21 Å²	21	65.6 Å²	65.6	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-46	175.4	178	-102.2	0	0	0	112.2	F521 W524 M525 L558 A561 D562 R565 I600 N601 H606 V607 R608	F521-W604 AromaticContact CZ-CE3 3.91Å; F521-W604 HydrophobicContact CZ-CE3 3.91Å; F521-W604 HydrophobicContact CZ-CZ3 4.1Å; W524-W604 AromaticContact CH2-CZ3 3.88Å; W524-W604 HydrophobicContact CH2-CZ3 3.88Å; W524-W604 HydrophobicContact CZ3-CE3 4.15Å; W524-W604 AromaticContact CZ3-CZ3 3.68Å; W524-W604 HydrophobicContact CZ3-CZ3 3.68Å; M525-W604 HydrophobicContact SD-CB 4.04Å; M525-W604 HydrophobicContact SD-CE3 4.48Å; L558-W604 WeakPolarHBondContact O-CH2 3.37Å; A561-W604 HydrophobicContact CB-CH2 3.94Å; A561-W604 HydrophobicContact CB-CZ3 3.73Å; D562-W604 HydrophobicContact CB-CH2 3.76Å; D562-W604 HydrophobicContact CB-CZ2 3.48Å; D562-W604 VanDerWaalsContact CB-CZ2 3.48Å; R565-W604 VanDerWaalsContact CD-CG 3.43Å; I600-W604 VanDerWaalsContact O-CB 3.31Å; I600-W604 WeakPolarHBondContact O-CB 3.45Å; I600-W604 PolarHBondContact O-N 3.25Å; N601-W604 PolarHBondContact O-N 2.93Å; W604-H606 VanDerWaalsContact C-N 3.26Å; W604-H606 PolarHBondContact O-N 3.23Å; W604-V607 PolarHBondContact O-N 3.15Å; W604-R608 WeakPolarHBondContact O-CB 3.49Å; W604-R608 PolarHBondContact O-N 3.37Å
605	D	94.9	Very high	94.3	Very high	77 Å²	77	61.7 Å²	61.7	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-34.6	176.7	-73.4	-25.5	0	0	0	111.7	N601 G602 K603 R608 Q609	N601-D605 PolarHBondContact O-N 3.4Å; G602-D605 PolarHBondContact O-N 2.96Å; K603-D605 VanDerWaalsContact C-N 3.35Å; K603-D605 PolarHBondContact O-N 2.68Å; D605-R608 PolarHBondContact O-N 3.27Å; D605-Q609 VanDerWaalsContact O-CG 3.27Å; D605-Q609 WeakPolarHBondContact O-CG 3.47Å; D605-Q609 PolarHBondContact O-N 3.42Å
606	H	94.6	Very high	94.3	Very high	74 Å²	74	66 Å²	66	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-49.2	174.6	-157.3	73.8	0	0	0	112.3	M529 G602 K603 W604 R608 Q609 L610	M529-H606 HydrophobicContact SD-CB 4.01Å; M529-H606 PolarHBondContact SD-CD2 3.5Å; G602-H606 PolarHBondContact O-N 2.7Å; G602-H606 VanDerWaalsContact O-N 3.13Å; K603-H606 WeakPolarHBondContact O-CB 3.47Å; K603-H606 PolarHBondContact O-N 3.04Å; K603-H606 VanDerWaalsContact O-N 3.14Å; W604-H606 VanDerWaalsContact C-N 3.26Å; W604-H606 PolarHBondContact O-N 3.23Å; H606-R608 VanDerWaalsContact C-N 3.28Å; H606-R608 PolarHBondContact O-N 3.28Å; H606-Q609 PolarHBondContact O-N 2.88Å; H606-Q609 VanDerWaalsContact O-N 3.1Å; H606-L610 WeakPolarHBondContact O-CG 3.47Å; H606-L610 PolarHBondContact O-N 2.76Å
607	V	95.8	Very high	94.3	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-54.5	-47.7	174.3	172.6	0	0	0	0	110.1	M525 A528 M529 L532 F554 L558 K603 W604 Q609 L610 V611	M525-V607 HydrophobicContact CB-CG2 4.25Å; A528-V607 HydrophobicContact CB-CG1 4.21Å; A528-V607 HydrophobicContact CB-CG2 4.19Å; M529-V607 HydrophobicContact CG-CG2 3.59Å; M529-V607 HydrophobicContact SD-CG2 4.46Å; L532-V607 HydrophobicContact CD1-CG1 4.1Å; F554-V607 HydrophobicContact CZ-CG1 4.34Å; L558-V607 HydrophobicContact CD2-CG1 4.41Å; K603-V607 PolarHBondContact O-N 3.04Å; W604-V607 PolarHBondContact O-N 3.15Å; V607-Q609 VanDerWaalsContact C-N 3.28Å; V607-Q609 PolarHBondContact O-N 2.97Å; V607-L610 PolarHBondContact O-N 2.97Å; V607-L610 VanDerWaalsContact O-N 3.09Å; V607-V611 WeakPolarHBondContact O-CG2 3.47Å; V607-V611 PolarHBondContact O-N 3.3Å; V607-V611 VanDerWaalsContact O-N 3.17Å
608	R	94.9	Very high	94.4	Very high	175 Å²	175	64.4 Å²	64.4	66%	0.66	32%	0.315	S	S	*	.	H	α-helix	trans	-62.4	-31.9	-180	-169.8	179.7	172.6	-158.5	-1.2	113.2	W604 D605 H606 P612	W604-R608 WeakPolarHBondContact O-CB 3.49Å; W604-R608 PolarHBondContact O-N 3.37Å; D605-R608 PolarHBondContact O-N 3.27Å; H606-R608 VanDerWaalsContact C-N 3.28Å; H606-R608 PolarHBondContact O-N 3.28Å; R608-P612 WeakPolarHBondContact O-CD 3.26Å
609	Q	94.4	Very high	94.6	Very high	109 Å²	109	61.1 Å²	61.1	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-74.7	-31.1	174.7	-74.1	173.8	18.7	0	0	113.1	D605 H606 V607 P612	D605-Q609 VanDerWaalsContact O-CG 3.27Å; D605-Q609 WeakPolarHBondContact O-CG 3.47Å; D605-Q609 PolarHBondContact O-N 3.42Å; H606-Q609 PolarHBondContact O-N 2.88Å; H606-Q609 VanDerWaalsContact O-N 3.1Å; V607-Q609 VanDerWaalsContact C-N 3.28Å; V607-Q609 PolarHBondContact O-N 2.97Å; Q609-P612 WeakPolarHBondContact O-CD 3.3Å; Q609-P612 WeakPolarHBondContact O-CG 3.04Å
610	L	94.8	Very high	94.5	Very high	11 Å²	11	62 Å²	62	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-75.6	-33.5	-179.5	-71.1	173.8	0	0	0	112.8	M529 L532 Q533 H606 V607 R613 R614	M529-L610 HydrophobicContact CB-CD1 4.14Å; M529-L610 HydrophobicContact CG-CD1 4.05Å; L532-L610 HydrophobicContact CB-CB 3.93Å; L532-L610 HydrophobicContact CB-CD1 4.36Å; L532-L610 HydrophobicContact CD1-CB 3.74Å; L532-L610 HydrophobicContact CG-CB 4.43Å; Q533-L610 HydrophobicContact CG-CD1 3.89Å; Q533-L610 HydrophobicContact CG-CD2 3.86Å; H606-L610 WeakPolarHBondContact O-CG 3.47Å; H606-L610 PolarHBondContact O-N 2.76Å; V607-L610 PolarHBondContact O-N 2.97Å; V607-L610 VanDerWaalsContact O-N 3.09Å; L610-R613 WeakPolarHBondContact O-CB 3.5Å; L610-R613 PolarHBondContact O-N 3.45Å; L610-R613 VanDerWaalsContact O-N 3.12Å; L610-R614 PolarHBondContact O-N 3.43Å
611	V	95	Very high	94.4	Very high	14 Å²	14	63 Å²	63	9%	0.085	32%	0.315	C	S	.	.	H	α-helix	trans	-50.2	-57.9	178.5	172.8	0	0	0	0	113.4	L532 F554 K555 L558 V607 R613 R614 D615	L532-V611 HydrophobicContact CD1-CG2 3.94Å; L532-V611 HydrophobicContact CD2-CG2 4.35Å; F554-V611 HydrophobicContact CE1-CG2 3.97Å; K555-V611 HydrophobicContact CD-CG1 3.7Å; K555-V611 HydrophobicContact CG-CG1 3.81Å; L558-V611 HydrophobicContact CD1-CG1 4.35Å; L558-V611 HydrophobicContact CD1-CG2 3.89Å; V607-V611 WeakPolarHBondContact O-CG2 3.47Å; V607-V611 PolarHBondContact O-N 3.3Å; V607-V611 VanDerWaalsContact O-N 3.17Å; V611-R613 PolarHBondContact O-N 2.93Å; V611-R614 WeakPolarHBondContact O-CB 3.43Å; V611-R614 PolarHBondContact O-N 3.25Å; V611-R614 VanDerWaalsContact O-N 3.11Å; V611-D615 PolarHBondContact O-N 3.48Å
612	P	94.8	Very high	94.3	Very high	73 Å²	73	62.7 Å²	62.7	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-26.1	-179.2	26.2	-35.4	0	0	0	113.3	R608 Q609 Q616	R608-P612 WeakPolarHBondContact O-CD 3.26Å; Q609-P612 WeakPolarHBondContact O-CD 3.3Å; Q609-P612 WeakPolarHBondContact O-CG 3.04Å; P612-Q616 PolarHBondContact O-N 2.97Å
613	R	93.7	Very high	94.2	Very high	164 Å²	164	63.1 Å²	63.1	62%	0.619	31%	0.311	S	S	*	.	H	α-helix	trans	-69.7	-39.3	174.2	-67.7	-179.1	176.2	176.6	1	111.2	L610 V611 Q616 A617	L610-R613 WeakPolarHBondContact O-CB 3.5Å; L610-R613 PolarHBondContact O-N 3.45Å; L610-R613 VanDerWaalsContact O-N 3.12Å; V611-R613 PolarHBondContact O-N 2.93Å; R613-Q616 PolarHBondContact O-N 2.76Å; R613-A617 PolarHBondContact O-N 3.42Å
614	R	95	Very high	94.1	Very high	28 Å²	28	67.4 Å²	67.4	11%	0.106	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-43.1	176.1	-174.7	56.6	164.3	-156.2	1.8	111.6	L532 D534 F536 L610 V611 Q616 A617 L618	L532-R614 HydrophobicContact CD2-CB 3.88Å; L532-R614 HydrophobicContact CD2-CG 3.98Å; L532-R614 PolarHBondContact O-NH1 2.91Å; D534-R614 PolarHBondContact O-NH1 3.21Å; D534-R614 PolarHBondContact O-NH2 2.87Å; F536-R614 VanDerWaalsContact CD1-NH2 3.33Å; L610-R614 PolarHBondContact O-N 3.43Å; V611-R614 WeakPolarHBondContact O-CB 3.43Å; V611-R614 PolarHBondContact O-N 3.25Å; V611-R614 VanDerWaalsContact O-N 3.11Å; R614-Q616 VanDerWaalsContact C-N 3.29Å; R614-Q616 PolarHBondContact O-N 2.89Å; R614-A617 PolarHBondContact O-N 3.46Å; R614-L618 HydrophobicContact CG-CD1 4Å; R614-L618 HydrophobicContact CG-CG 4.47Å; R614-L618 WeakPolarHBondContact O-CG 3.37Å; R614-L618 PolarHBondContact O-N 3.14Å
615	D	92.8	Very high	93.9	Very high	43 Å²	43	66.8 Å²	66.8	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-52.9	-47.1	172.4	-82.4	-41.1	0	0	0	111.7	H551 K555 V611 T619	H551-D615 IonicContact CD2-OD1 2.75Å; H551-D615 PolarHBondContact CD2-OD1 2.91Å; H551-D615 IonicContact NE2-OD1 2.66Å; H551-D615 PolarHBondContact NE2-OD1 3.35Å; H551-D615 VanDerWaalsContact NE2-OD1 3.16Å; H551-D615 IonicContact NE2-OD2 3.56Å; K555-D615 IonicContact NZ-OD1 3.09Å; K555-D615 PolarHBondContact NZ-OD1 2.96Å; K555-D615 IonicContact NZ-OD2 3.25Å; K555-D615 PolarHBondContact NZ-OD2 2.7Å; V611-D615 PolarHBondContact O-N 3.48Å; D615-T619 WeakPolarHBondContact O-CB 3.37Å; D615-T619 PolarHBondContact O-N 2.91Å; D615-T619 PolarHBondContact O-OG1 3.3Å
616	Q	94	Very high	93.7	Very high	116 Å²	116	66.5 Å²	66.5	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-48.8	178.5	-176.2	-179.5	-6.9	0	0	111.7	P612 R613 R614 L618 T619 E620	P612-Q616 PolarHBondContact O-N 2.97Å; R613-Q616 PolarHBondContact O-N 2.76Å; R614-Q616 VanDerWaalsContact C-N 3.29Å; R614-Q616 PolarHBondContact O-N 2.89Å; Q616-L618 VanDerWaalsContact C-N 3.33Å; Q616-L618 PolarHBondContact O-N 2.83Å; Q616-T619 WeakPolarHBondContact O-CB 3.44Å; Q616-T619 PolarHBondContact O-N 3.39Å; Q616-T619 VanDerWaalsContact O-N 3.15Å; Q616-E620 HydrophobicContact CG-CG 4.48Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.41Å; Q616-E620 PolarHBondContact NE2-OE1 3.1Å; Q616-E620 WeakPolarHBondContact O-CG 3.44Å; Q616-E620 PolarHBondContact O-N 2.97Å
617	A	93.4	Very high	93.6	Very high	38 Å²	38	67.6 Å²	67.6	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-42	-179.8	0	0	0	0	0	112.4	R613 R614 E620 E621	R613-A617 PolarHBondContact O-N 3.42Å; R614-A617 PolarHBondContact O-N 3.46Å; A617-E620 PolarHBondContact O-N 3.4Å; A617-E621 PolarHBondContact O-N 2.92Å; A617-E621 VanDerWaalsContact O-N 3.1Å
618	L	94.1	Very high	93.5	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-38.4	176	-70	169.4	0	0	0	111.8	F536 I544 L547 H551 R614 Q616 H622	F536-L618 HydrophobicContact CE1-CD2 4.04Å; F536-L618 HydrophobicContact CE2-CD2 4.05Å; F536-L618 HydrophobicContact CZ-CD2 3.66Å; F536-L618 HydrophobicContact CZ-CG 4.34Å; I544-L618 HydrophobicContact CD1-CD2 3.75Å; L547-L618 HydrophobicContact CB-CD2 3.85Å; H551-L618 HydrophobicContact CB-CD1 3.54Å; R614-L618 HydrophobicContact CG-CD1 4Å; R614-L618 HydrophobicContact CG-CG 4.47Å; R614-L618 WeakPolarHBondContact O-CG 3.37Å; R614-L618 PolarHBondContact O-N 3.14Å; Q616-L618 VanDerWaalsContact C-N 3.33Å; Q616-L618 PolarHBondContact O-N 2.83Å; L618-H622 VanDerWaalsContact O-CB 3.26Å; L618-H622 WeakPolarHBondContact O-CB 3.45Å; L618-H622 PolarHBondContact O-N 2.89Å
619	T	94.1	Very high	93.3	Very high	95 Å²	95	60.8 Å²	60.8	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-65.6	-43.7	177.4	-58.9	0	0	0	0	111.8	D615 Q616 H622 A623	D615-T619 WeakPolarHBondContact O-CB 3.37Å; D615-T619 PolarHBondContact O-N 2.91Å; D615-T619 PolarHBondContact O-OG1 3.3Å; Q616-T619 WeakPolarHBondContact O-CB 3.44Å; Q616-T619 PolarHBondContact O-N 3.39Å; Q616-T619 VanDerWaalsContact O-N 3.15Å; T619-H622 PolarHBondContact O-N 3.26Å; T619-A623 WeakPolarHBondContact O-CB 3.4Å; T619-A623 PolarHBondContact O-N 3.49Å
620	E	93.2	Very high	93.2	Very high	110 Å²	110	62.5 Å²	62.5	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-45	177.3	-73.1	175.7	-169.2	0	0	111.5	Q616 A617 A623 R624	Q616-E620 HydrophobicContact CG-CG 4.48Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.41Å; Q616-E620 PolarHBondContact NE2-OE1 3.1Å; Q616-E620 WeakPolarHBondContact O-CG 3.44Å; Q616-E620 PolarHBondContact O-N 2.97Å; A617-E620 PolarHBondContact O-N 3.4Å; E620-A623 PolarHBondContact O-N 3.4Å; E620-R624 PolarHBondContact O-N 3.01Å
621	E	92.6	Very high	93.1	Very high	22 Å²	22	62.3 Å²	62.3	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-38.5	177.5	-171.7	58.1	-143.8	0	0	112	F536 V538 I544 A617 A623 R624 Q625	F536-E621 HydrophobicContact CE2-CB 3.91Å; F536-E621 HydrophobicContact CE2-CG 3.87Å; F536-E621 HydrophobicContact CZ-CB 4.35Å; V538-E621 HydrophobicContact CG2-CG 3.38Å; V538-E621 WeakPolarHBondContact CG2-OE1 3.49Å; I544-E621 HydrophobicContact CD1-CB 3.97Å; I544-E621 HydrophobicContact CD1-CG 3.96Å; I544-E621 HydrophobicContact CG1-CB 4.36Å; I544-E621 HydrophobicContact CG1-CG 4.29Å; A617-E621 PolarHBondContact O-N 2.92Å; A617-E621 VanDerWaalsContact O-N 3.1Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.39Å; E621-R624 WeakPolarHBondContact O-CB 3.39Å; E621-R624 PolarHBondContact O-N 3.43Å; E621-R624 VanDerWaalsContact O-N 3.14Å; E621-R624 IonicContact OE1-NH1 3.4Å; E621-R624 IonicContact OE2-CZ 3.68Å; E621-R624 IonicContact OE2-NE 3.5Å; E621-R624 IonicContact OE2-NH1 2.63Å; E621-R624 PolarHBondContact OE2-NH1 3.47Å; E621-R624 IonicContact OE2-NH2 2.66Å; E621-Q625 WeakPolarHBondContact O-CG 3.39Å; E621-Q625 PolarHBondContact O-N 3.4Å; E621-Q625 PolarHBondContact OE1-NE2 2.81Å
622	H	93	Very high	93	Very high	44 Å²	44	62.2 Å²	62.2	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-40.7	174.6	-178.5	-96.8	0	0	0	111.5	I544 L618 T619 R624 Q625 Q626	I544-H622 HydrophobicContact CG1-CB 3.91Å; I544-H622 HydrophobicContact CG2-CB 4.45Å; L618-H622 VanDerWaalsContact O-CB 3.26Å; L618-H622 WeakPolarHBondContact O-CB 3.45Å; L618-H622 PolarHBondContact O-N 2.89Å; T619-H622 PolarHBondContact O-N 3.26Å; H622-R624 VanDerWaalsContact C-N 3.33Å; H622-R624 PolarHBondContact O-N 3.09Å; H622-Q625 PolarHBondContact O-N 3.25Å; H622-Q626 PolarHBondContact CE1-NE2 2.9Å; H622-Q626 WeakPolarHBondContact O-CB 3.37Å; H622-Q626 WeakPolarHBondContact O-CG 3.46Å; H622-Q626 PolarHBondContact O-N 3Å
623	A	92.5	Very high	92.8	Very high	54 Å²	54	64 Å²	64	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-39.9	174	0	0	0	0	0	112	T619 E620 E621 Q626 H627	T619-A623 WeakPolarHBondContact O-CB 3.4Å; T619-A623 PolarHBondContact O-N 3.49Å; E620-A623 PolarHBondContact O-N 3.4Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.39Å; A623-Q626 PolarHBondContact O-N 3.45Å; A623-H627 WeakPolarHBondContact O-CB 3.45Å; A623-H627 PolarHBondContact O-N 3.2Å
624	R	91.6	Very high	92.8	Very high	143 Å²	143	60.9 Å²	60.9	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-49.7	174.3	-171.3	-174.2	-63.4	166.5	-3.9	111.6	E620 E621 H622 Q626 H627 N628	E620-R624 PolarHBondContact O-N 3.01Å; E621-R624 WeakPolarHBondContact O-CB 3.39Å; E621-R624 PolarHBondContact O-N 3.43Å; E621-R624 VanDerWaalsContact O-N 3.14Å; E621-R624 IonicContact OE1-NH1 3.4Å; E621-R624 IonicContact OE2-CZ 3.68Å; E621-R624 IonicContact OE2-NE 3.5Å; E621-R624 IonicContact OE2-NH1 2.63Å; E621-R624 PolarHBondContact OE2-NH1 3.47Å; E621-R624 IonicContact OE2-NH2 2.66Å; H622-R624 VanDerWaalsContact C-N 3.33Å; H622-R624 PolarHBondContact O-N 3.09Å; R624-Q626 VanDerWaalsContact C-N 3.33Å; R624-Q626 PolarHBondContact O-N 3.48Å; R624-H627 WeakPolarHBondContact O-CB 3.13Å; R624-H627 PolarHBondContact O-N 2.92Å; R624-H627 VanDerWaalsContact O-N 3.1Å; R624-N628 VanDerWaalsContact O-CG 3.25Å; R624-N628 PolarHBondContact O-N 3.5Å; R624-N628 PolarHBondContact O-OD1 3.37Å
625	Q	91.9	Very high	92.7	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-35.8	179	-63.6	-56.5	-33	0	0	112.6	V538 H539 I541 I544 E621 H622 H627 N628 E629	V538-Q625 HydrophobicContact CG2-CG 3.95Å; V538-Q625 PolarHBondContact O-NE2 3.48Å; V538-Q625 VanDerWaalsContact O-NE2 3.09Å; H539-Q625 PolarHBondContact O-OE1 3.34Å; I541-Q625 HydrophobicContact CG1-CB 3.94Å; I544-Q625 HydrophobicContact CG2-CB 4.11Å; I544-Q625 HydrophobicContact CG2-CG 4.06Å; E621-Q625 WeakPolarHBondContact O-CG 3.39Å; E621-Q625 PolarHBondContact O-N 3.4Å; E621-Q625 PolarHBondContact OE1-NE2 2.81Å; H622-Q625 PolarHBondContact O-N 3.25Å; Q625-H627 VanDerWaalsContact C-N 3.35Å; Q625-N628 PolarHBondContact O-N 3.37Å; Q625-E629 PolarHBondContact O-N 3.05Å
626	Q	91.9	Very high	92.6	Very high	72 Å²	72	57.8 Å²	57.8	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-40.8	171	-78	-166.3	-6.4	0	0	112.7	I541 H622 A623 R624 R630	I541-Q626 HydrophobicContact CD1-CG 4.4Å; H622-Q626 PolarHBondContact CE1-NE2 2.9Å; H622-Q626 WeakPolarHBondContact O-CB 3.37Å; H622-Q626 WeakPolarHBondContact O-CG 3.46Å; H622-Q626 PolarHBondContact O-N 3Å; A623-Q626 PolarHBondContact O-N 3.45Å; R624-Q626 VanDerWaalsContact C-N 3.33Å; R624-Q626 PolarHBondContact O-N 3.48Å; Q626-R630 WeakPolarHBondContact O-CG 3.46Å; Q626-R630 PolarHBondContact O-N 3.06Å
627	H	92.4	Very high	92.5	Very high	96 Å²	96	55.2 Å²	55.2	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-46.2	175.3	-179	66.2	0	0	0	111.1	A623 R624 Q625 E629 R630 L631	A623-H627 WeakPolarHBondContact O-CB 3.45Å; A623-H627 PolarHBondContact O-N 3.2Å; R624-H627 WeakPolarHBondContact O-CB 3.13Å; R624-H627 PolarHBondContact O-N 2.92Å; R624-H627 VanDerWaalsContact O-N 3.1Å; Q625-H627 VanDerWaalsContact C-N 3.35Å; H627-E629 VanDerWaalsContact C-N 3.35Å; H627-E629 PolarHBondContact O-N 3.49Å; H627-R630 WeakPolarHBondContact O-CB 3.21Å; H627-R630 PolarHBondContact O-N 2.88Å; H627-L631 PolarHBondContact O-N 3.14Å
628	N	92.7	Very high	92.5	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-45.8	177.5	-69.3	-0.4	0	0	0	112.2	R624 Q625 R630 L631 R632 I700	R624-N628 VanDerWaalsContact O-CG 3.25Å; R624-N628 PolarHBondContact O-N 3.5Å; R624-N628 PolarHBondContact O-OD1 3.37Å; Q625-N628 PolarHBondContact O-N 3.37Å; N628-R630 VanDerWaalsContact C-N 3.32Å; N628-R630 PolarHBondContact O-N 2.94Å; N628-L631 PolarHBondContact O-N 3Å; N628-R632 WeakPolarHBondContact O-CG 3.45Å; N628-R632 PolarHBondContact O-N 3.01Å; N628-I700 HydrophobicContact CB-CD1 3.42Å; N628-I700 VanDerWaalsContact CB-CD1 3.42Å; N628-I700 HydrophobicContact CB-CG1 4.07Å
629	E	92	Very high	92.4	Very high	21 Å²	21	55.1 Å²	55.1	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-32.9	177	-175.1	66.6	-172.9	0	0	112.9	I541 Q625 H627 R632 K633 K704 H705	I541-E629 HydrophobicContact CD1-CB 3.49Å; I541-E629 VanDerWaalsContact CD1-CB 3.49Å; I541-E629 HydrophobicContact CD1-CG 3.8Å; I541-E629 HydrophobicContact CG1-CB 4.38Å; Q625-E629 PolarHBondContact O-N 3.05Å; H627-E629 VanDerWaalsContact C-N 3.35Å; H627-E629 PolarHBondContact O-N 3.49Å; E629-R632 IonicContact OE2-NH1 2.59Å; E629-K633 WeakPolarHBondContact O-CG 3.35Å; E629-K633 PolarHBondContact O-N 3.01Å; E629-K633 WeakPolarHBondContact OE1-CE 3.39Å; E629-K704 WeakPolarHBondContact OE1-CE 3.28Å; E629-K704 IonicContact OE1-NZ 2.97Å; E629-H705 IonicContact OE1-CD2 2.91Å; E629-H705 IonicContact OE1-CE1 3.86Å; E629-H705 PolarHBondContact OE1-CE1 3.2Å; E629-H705 VanDerWaalsContact OE1-CE1 3.26Å; E629-H705 IonicContact OE1-NE2 3.98Å; E629-H705 PolarHBondContact OE1-NE2 3.34Å; E629-H705 IonicContact OE2-NE2 3.89Å
630	R	92.2	Very high	92.3	Very high	144 Å²	144	53.8 Å²	53.8	54%	0.543	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-44.6	173.5	-71.2	174.8	-160.9	163.2	8.8	111	Q626 H627 N628 K633 Q634	Q626-R630 WeakPolarHBondContact O-CG 3.46Å; Q626-R630 PolarHBondContact O-N 3.06Å; H627-R630 WeakPolarHBondContact O-CB 3.21Å; H627-R630 PolarHBondContact O-N 2.88Å; N628-R630 VanDerWaalsContact C-N 3.32Å; N628-R630 PolarHBondContact O-N 2.94Å; R630-K633 PolarHBondContact O-N 2.82Å; R630-Q634 WeakPolarHBondContact O-CB 3.26Å; R630-Q634 VanDerWaalsContact O-CG 3.31Å; R630-Q634 WeakPolarHBondContact O-CG 3.42Å; R630-Q634 PolarHBondContact O-N 3.21Å
631	L	92.3	Very high	92.3	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-48	176.2	-67.5	176.8	0	0	0	111	H627 N628 K633 Q634 F635 L694 I695 A698 I700	H627-L631 PolarHBondContact O-N 3.14Å; N628-L631 PolarHBondContact O-N 3Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.08Å; L631-Q634 PolarHBondContact O-N 3.08Å; L631-Q634 VanDerWaalsContact O-N 3.16Å; L631-F635 PolarHBondContact O-N 3.37Å; L631-L694 HydrophobicContact CD1-CB 4.38Å; L631-L694 HydrophobicContact CD2-CB 4.09Å; L631-L694 HydrophobicContact CD2-CD1 4.34Å; L631-I695 HydrophobicContact CB-CD1 4.42Å; L631-I695 HydrophobicContact CB-CG1 3.72Å; L631-A698 HydrophobicContact CD1-CB 4.12Å; L631-I700 HydrophobicContact CD1-CD1 4.4Å
632	R	92.1	Very high	92.3	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.045	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-46.5	175.2	-70.3	-178.5	178	125.8	-2.3	111.7	N628 E629 G636 I700 D702 N703	N628-R632 WeakPolarHBondContact O-CG 3.45Å; N628-R632 PolarHBondContact O-N 3.01Å; E629-R632 IonicContact OE2-NH1 2.59Å; R632-G636 PolarHBondContact O-N 3.27Å; R632-I700 HydrophobicContact CG-CG2 3.84Å; R632-I700 VanDerWaalsContact NE-CG2 3.27Å; R632-D702 WeakPolarHBondContact CD-O 3.4Å; R632-D702 IonicContact CZ-OD1 3.53Å; R632-D702 IonicContact CZ-OD2 2.76Å; R632-D702 PolarHBondContact NE-O 3.34Å; R632-D702 IonicContact NE-OD1 2.63Å; R632-D702 IonicContact NE-OD2 3.09Å; R632-D702 IonicContact NH2-OD1 2.69Å; R632-D702 PolarHBondContact NH2-OD1 3.36Å; R632-D702 IonicContact NH2-OD2 3.56Å; R632-D702 PolarHBondContact NH2-OD2 3.39Å; R632-N703 PolarHBondContact O-ND2 3.03Å; R632-N703 PolarHBondContact O-OD1 2.86Å
633	K	92.3	Very high	92.3	Very high	110 Å²	110	50.1 Å²	50.1	48%	0.478	25%	0.25	S	C	.	.	H	α-helix	trans	-66.4	-40	178	-74.7	179.1	179.7	179.4	0	113.1	E629 R630 L631 G636 A637	E629-K633 WeakPolarHBondContact O-CG 3.35Å; E629-K633 PolarHBondContact O-N 3.01Å; E629-K633 WeakPolarHBondContact OE1-CE 3.39Å; R630-K633 PolarHBondContact O-N 2.82Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.08Å; K633-G636 PolarHBondContact O-N 3.32Å; K633-A637 VanDerWaalsContact O-CB 3.27Å; K633-A637 WeakPolarHBondContact O-CB 3.47Å; K633-A637 PolarHBondContact O-N 3Å
634	Q	92.4	Very high	92.3	Very high	99 Å²	99	49.9 Å²	49.9	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-51.6	178.5	-78.1	173.1	-23.3	0	0	111.2	R630 L631 G636 A637 Q638	R630-Q634 WeakPolarHBondContact O-CB 3.26Å; R630-Q634 VanDerWaalsContact O-CG 3.31Å; R630-Q634 WeakPolarHBondContact O-CG 3.42Å; R630-Q634 PolarHBondContact O-N 3.21Å; L631-Q634 PolarHBondContact O-N 3.08Å; L631-Q634 VanDerWaalsContact O-N 3.16Å; Q634-G636 VanDerWaalsContact C-N 3.34Å; Q634-G636 PolarHBondContact O-N 2.71Å; Q634-A637 PolarHBondContact O-N 3.17Å; Q634-Q638 PolarHBondContact O-N 2.93Å; Q634-Q638 VanDerWaalsContact O-N 3.13Å
635	F	93.6	Very high	92.4	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-46.9	175.4	179.4	-86.1	0	0	0	111.2	L631 A637 Q638 A639 L688 D691 H692 I695 N703 T706 M710	L631-F635 PolarHBondContact O-N 3.37Å; F635-A637 PolarHBondContact O-N 3.28Å; F635-Q638 PolarHBondContact O-N 3.03Å; F635-A639 HydrophobicContact CD1-CB 4.35Å; F635-A639 HydrophobicContact CE1-CB 4.04Å; F635-A639 HydrophobicContact CZ-CB 4.42Å; F635-A639 VanDerWaalsContact O-CB 3.27Å; F635-A639 WeakPolarHBondContact O-CB 3.35Å; F635-A639 PolarHBondContact O-N 3.27Å; F635-L688 HydrophobicContact CD2-CD1 3.53Å; F635-L688 HydrophobicContact CD2-CG 4.13Å; F635-L688 HydrophobicContact CE2-CD1 3.61Å; F635-L688 HydrophobicContact CE2-CD2 4.36Å; F635-L688 HydrophobicContact CE2-CG 3.78Å; F635-L688 HydrophobicContact CG-CD1 4.09Å; F635-L688 HydrophobicContact CZ-CD1 4.25Å; F635-L688 HydrophobicContact CZ-CG 4.47Å; F635-D691 HydrophobicContact CD2-CB 4.4Å; F635-H692 HydrophobicContact CD2-CB 4.09Å; F635-H692 HydrophobicContact CE2-CB 3.77Å; F635-H692 AromaticContact CE2-ND1 3.99Å; F635-I695 HydrophobicContact CB-CD1 3.37Å; F635-I695 HydrophobicContact CD2-CD1 4.23Å; F635-I695 HydrophobicContact CG-CD1 3.82Å; F635-N703 WeakPolarHBondContact CD1-ND2 3.48Å; F635-T706 HydrophobicContact CD1-CG2 3.99Å; F635-T706 HydrophobicContact CE1-CG2 4Å; F635-M710 HydrophobicContact CE2-CB 4.3Å; F635-M710 HydrophobicContact CE2-SD 4.04Å; F635-M710 HydrophobicContact CZ-CB 4.14Å; F635-M710 HydrophobicContact CZ-SD 4.41Å
636	G	91.1	Very high	92.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-43.7	179.9	0	0	0	0	0	112.9	R632 K633 Q634 Q638 N640	R632-G636 PolarHBondContact O-N 3.27Å; K633-G636 PolarHBondContact O-N 3.32Å; Q634-G636 VanDerWaalsContact C-N 3.34Å; Q634-G636 PolarHBondContact O-N 2.71Å; G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.42Å; G636-N640 WeakPolarHBondContact O-CB 3.45Å; G636-N640 PolarHBondContact O-N 3.41Å; G636-N640 PolarHBondContact O-ND2 3.1Å
637	A	91.9	Very high	92.2	Very high	61 Å²	61	47 Å²	47	50%	0.504	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-40.3	178	0	0	0	0	0	112.3	K633 Q634 F635 V641	K633-A637 VanDerWaalsContact O-CB 3.27Å; K633-A637 WeakPolarHBondContact O-CB 3.47Å; K633-A637 PolarHBondContact O-N 3Å; Q634-A637 PolarHBondContact O-N 3.17Å; F635-A637 PolarHBondContact O-N 3.28Å; A637-V641 WeakPolarHBondContact O-CG2 3.23Å
638	Q	91.7	Very high	92.1	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-73.8	-48.4	177.6	-68.4	-165.4	42.6	0	0	112	Q634 F635 G636 N640 V641 I642 L688 D691	Q634-Q638 PolarHBondContact O-N 2.93Å; Q634-Q638 VanDerWaalsContact O-N 3.13Å; F635-Q638 PolarHBondContact O-N 3.03Å; G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.42Å; Q638-N640 VanDerWaalsContact C-N 3.31Å; Q638-N640 PolarHBondContact O-N 3.05Å; Q638-V641 PolarHBondContact O-N 3.37Å; Q638-I642 HydrophobicContact CB-CD1 4.27Å; Q638-I642 VanDerWaalsContact O-CG1 3.3Å; Q638-I642 WeakPolarHBondContact O-CG1 3.32Å; Q638-I642 PolarHBondContact O-N 3.03Å; Q638-L688 HydrophobicContact CB-CD1 3.62Å; Q638-D691 PolarHBondContact NE2-OD2 2.96Å
639	A	92	Very high	91.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-39.8	-178.8	0	0	0	0	0	112.2	F635 V641 I642 G643 L688	F635-A639 HydrophobicContact CD1-CB 4.35Å; F635-A639 HydrophobicContact CE1-CB 4.04Å; F635-A639 HydrophobicContact CZ-CB 4.42Å; F635-A639 VanDerWaalsContact O-CB 3.27Å; F635-A639 WeakPolarHBondContact O-CB 3.35Å; F635-A639 PolarHBondContact O-N 3.27Å; A639-V641 PolarHBondContact O-N 3.22Å; A639-I642 PolarHBondContact O-N 3.41Å; A639-G643 PolarHBondContact O-N 2.65Å; A639-L688 HydrophobicContact CB-CD1 4.07Å; A639-L688 HydrophobicContact CB-CD2 4.23Å
640	N	93.2	Very high	91.6	Very high	68 Å²	68	47.4 Å²	47.4	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-17.2	178	-70.4	-23.1	0	0	0	113.8	G636 Q638 P644 H705 T706	G636-N640 WeakPolarHBondContact O-CB 3.45Å; G636-N640 PolarHBondContact O-N 3.41Å; G636-N640 PolarHBondContact O-ND2 3.1Å; Q638-N640 VanDerWaalsContact C-N 3.31Å; Q638-N640 PolarHBondContact O-N 3.05Å; N640-P644 VanDerWaalsContact O-CD 3.26Å; N640-P644 WeakPolarHBondContact O-CD 3.25Å; N640-P644 WeakPolarHBondContact O-CG 3.43Å; N640-H705 PolarHBondContact ND2-O 3.41Å; N640-T706 VanDerWaalsContact OD1-CB 3.26Å; N640-T706 WeakPolarHBondContact OD1-CB 3.22Å; N640-T706 PolarHBondContact OD1-OG1 2.91Å
641	V	92.9	Very high	91.3	Very high	88 Å²	88	45.2 Å²	45.2	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-94.6	-40.4	172.8	176.8	0	0	0	0	110.8	A637 Q638 A639 W645	A637-V641 WeakPolarHBondContact O-CG2 3.23Å; Q638-V641 PolarHBondContact O-N 3.37Å; A639-V641 PolarHBondContact O-N 3.22Å; V641-W645 WeakPolarHBondContact O-CB 3.5Å; V641-W645 PolarHBondContact O-N 3.16Å
642	I	93.6	Very high	91	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-45.8	-176.6	-68	165.8	0	0	0	111.5	Q638 A639 W645 I646 Y681 K684 I685 L688 I713	Q638-I642 HydrophobicContact CB-CD1 4.27Å; Q638-I642 VanDerWaalsContact O-CG1 3.3Å; Q638-I642 WeakPolarHBondContact O-CG1 3.32Å; Q638-I642 PolarHBondContact O-N 3.03Å; A639-I642 PolarHBondContact O-N 3.41Å; I642-W645 WeakPolarHBondContact O-CB 3.42Å; I642-W645 PolarHBondContact O-N 2.75Å; I642-W645 VanDerWaalsContact O-N 3.17Å; I642-I646 HydrophobicContact CG2-CD1 3.87Å; I642-I646 HydrophobicContact CG2-CG1 4.38Å; I642-I646 WeakPolarHBondContact O-CG1 3.47Å; I642-I646 PolarHBondContact O-N 2.99Å; I642-Y681 HydrophobicContact CG1-CE1 4.15Å; I642-K684 HydrophobicContact CD1-CB 4.42Å; I642-I685 HydrophobicContact CD1-CD1 4.44Å; I642-I685 HydrophobicContact CG2-CD1 3.31Å; I642-L688 HydrophobicContact CD1-CB 3.91Å; I642-L688 HydrophobicContact CD1-CD2 3.87Å; I642-L688 HydrophobicContact CD1-CG 4.32Å; I642-I713 HydrophobicContact CG2-CD1 4.24Å; I642-I713 HydrophobicContact CG2-CG2 3.68Å
643	G	91.1	Very high	90.6	Very high	7 Å²	7	46.6 Å²	46.6	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-54.6	-56.5	-178.3	0	0	0	0	0	113	A639 W645 I646 Q647	A639-G643 PolarHBondContact O-N 2.65Å; G643-W645 VanDerWaalsContact C-N 3.3Å; G643-W645 PolarHBondContact O-N 2.75Å; G643-I646 PolarHBondContact O-N 3.36Å; G643-Q647 PolarHBondContact O-N 3.25Å
644	P	92.5	Very high	89.9	Confident	49 Å²	49	43 Å²	43	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-35.5	176.3	-25.9	36	0	0	0	113.7	N640 I646 Q647 T648 Y708	N640-P644 VanDerWaalsContact O-CD 3.26Å; N640-P644 WeakPolarHBondContact O-CD 3.25Å; N640-P644 WeakPolarHBondContact O-CG 3.43Å; P644-I646 VanDerWaalsContact C-N 3.35Å; P644-I646 PolarHBondContact O-N 3.15Å; P644-Q647 PolarHBondContact O-N 3.4Å; P644-T648 PolarHBondContact O-N 2.86Å; P644-T648 PolarHBondContact O-OG1 2.66Å; P644-T648 VanDerWaalsContact O-OG1 3.05Å; P644-Y708 HydrophobicContact CG-CE2 4.46Å
645	W	93.6	Very high	89.3	Confident	49 Å²	49	44.2 Å²	44.2	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-41.8	178.3	-177.2	92.7	0	0	0	112.1	V641 I642 G643 K649 I678 Y681 W717 L720	V641-W645 WeakPolarHBondContact O-CB 3.5Å; V641-W645 PolarHBondContact O-N 3.16Å; I642-W645 WeakPolarHBondContact O-CB 3.42Å; I642-W645 PolarHBondContact O-N 2.75Å; I642-W645 VanDerWaalsContact O-N 3.17Å; G643-W645 VanDerWaalsContact C-N 3.3Å; G643-W645 PolarHBondContact O-N 2.75Å; W645-K649 HydrophobicContact CD2-CG 4.17Å; W645-K649 HydrophobicContact CE3-CG 4.25Å; W645-K649 HydrophobicContact CH2-CG 3.87Å; W645-K649 HydrophobicContact CZ2-CD 4.31Å; W645-K649 HydrophobicContact CZ2-CG 3.81Å; W645-K649 HydrophobicContact CZ3-CG 4.07Å; W645-K649 WeakPolarHBondContact O-CG 3.44Å; W645-K649 PolarHBondContact O-N 3.24Å; W645-I678 HydrophobicContact CH2-CG1 4Å; W645-Y681 AromaticContact CD1-CE2 3.86Å; W645-Y681 AromaticContact CD1-CZ 3.95Å; W645-Y681 AromaticContact CD2-CD1 3.89Å; W645-Y681 HydrophobicContact CD2-CD1 3.89Å; W645-Y681 HydrophobicContact CD2-CD2 4.13Å; W645-Y681 AromaticContact CD2-CE1 3.74Å; W645-Y681 HydrophobicContact CD2-CE1 3.74Å; W645-Y681 AromaticContact CD2-CE2 3.99Å; W645-Y681 HydrophobicContact CD2-CE2 3.99Å; W645-Y681 HydrophobicContact CD2-CG 4.09Å; W645-Y681 AromaticContact CD2-CZ 3.8Å; W645-Y681 AromaticContact CE2-CD2 3.59Å; W645-Y681 AromaticContact CE2-CE2 3.74Å; W645-Y681 AromaticContact CE2-CG 3.79Å; W645-Y681 AromaticContact CE3-CD1 3.74Å; W645-Y681 HydrophobicContact CE3-CD1 3.74Å; W645-Y681 AromaticContact CE3-CE1 3.84Å; W645-Y681 HydrophobicContact CE3-CE1 3.84Å; W645-Y681 HydrophobicContact CE3-CG 4.19Å; W645-Y681 HydrophobicContact CG-CE1 4.05Å; W645-Y681 HydrophobicContact CG-CE2 4.07Å; W645-Y681 AromaticContact CG-CZ 3.74Å; W645-Y681 HydrophobicContact CH2-CD1 4.07Å; W645-Y681 HydrophobicContact CH2-CD2 4.33Å; W645-Y681 AromaticContact CH2-CG 3.77Å; W645-Y681 HydrophobicContact CH2-CG 3.77Å; W645-Y681 HydrophobicContact CZ2-CD1 4.17Å; W645-Y681 AromaticContact CZ2-CD2 3.69Å; W645-Y681 HydrophobicContact CZ2-CD2 3.69Å; W645-Y681 HydrophobicContact CZ2-CE2 4.31Å; W645-Y681 AromaticContact CZ2-CG 3.61Å; W645-Y681 HydrophobicContact CZ2-CG 3.61Å; W645-Y681 AromaticContact CZ3-CD1 3.88Å; W645-Y681 HydrophobicContact CZ3-CD1 3.88Å; W645-Y681 HydrophobicContact CZ3-CE1 4.44Å; W645-Y681 HydrophobicContact CZ3-CG 4.08Å; W645-Y681 AromaticContact NE1-CD2 3.84Å; W645-Y681 AromaticContact NE1-CE2 3.63Å; W645-W717 HydrophobicContact CE3-CZ3 4.21Å; W645-W717 HydrophobicContact CH2-CH2 4.47Å; W645-W717 HydrophobicContact CH2-CZ3 4.09Å; W645-W717 HydrophobicContact CZ3-CE3 4.25Å; W645-W717 HydrophobicContact CZ3-CH2 4.23Å; W645-W717 AromaticContact CZ3-CZ3 3.43Å; W645-W717 HydrophobicContact CZ3-CZ3 3.43Å; W645-W717 VanDerWaalsContact CZ3-CZ3 3.43Å; W645-L720 HydrophobicContact CZ3-CD2 3.88Å
646	I	91.4	Very high	88.3	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-46.6	175.2	-68.4	170.4	0	0	0	110	I642 G643 P644 K649 M650 I713 G716 W717 L720	I642-I646 HydrophobicContact CG2-CD1 3.87Å; I642-I646 HydrophobicContact CG2-CG1 4.38Å; I642-I646 WeakPolarHBondContact O-CG1 3.47Å; I642-I646 PolarHBondContact O-N 2.99Å; G643-I646 PolarHBondContact O-N 3.36Å; P644-I646 VanDerWaalsContact C-N 3.35Å; P644-I646 PolarHBondContact O-N 3.15Å; I646-K649 PolarHBondContact O-N 2.8Å; I646-M650 HydrophobicContact CG2-CE 3.99Å; I646-M650 PolarHBondContact O-N 2.95Å; I646-I713 HydrophobicContact CD1-CG2 4.07Å; I646-G716 WeakPolarHBondContact CG2-O 3.34Å; I646-W717 HydrophobicContact CD1-CB 4.11Å; I646-W717 HydrophobicContact CD1-CE3 4.15Å; I646-W717 HydrophobicContact CG1-CE3 4.06Å; I646-L720 HydrophobicContact CG2-CB 4.38Å; I646-L720 HydrophobicContact CG2-CD2 4.35Å
647	Q	88.9	Confident	86.9	Confident	106 Å²	106	47.5 Å²	47.5	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-49.3	179.5	-174.5	-178.9	-10.1	0	0	111.7	G643 P644 K649 M650 E651	G643-Q647 PolarHBondContact O-N 3.25Å; P644-Q647 PolarHBondContact O-N 3.4Å; Q647-K649 VanDerWaalsContact C-N 3.3Å; Q647-K649 PolarHBondContact O-N 3.34Å; Q647-M650 PolarHBondContact O-N 3.44Å; Q647-E651 PolarHBondContact NE2-OE1 2.75Å; Q647-E651 WeakPolarHBondContact O-CG 3.47Å; Q647-E651 PolarHBondContact O-N 3.44Å
648	T	90.3	Very high	85.5	Confident	64 Å²	64	49.9 Å²	49.9	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-40.9	178.1	-54.2	0	0	0	0	111.7	P644 E651 E652	P644-T648 PolarHBondContact O-N 2.86Å; P644-T648 PolarHBondContact O-OG1 2.66Å; P644-T648 VanDerWaalsContact O-OG1 3.05Å; T648-E651 PolarHBondContact O-N 3.14Å; T648-E652 WeakPolarHBondContact O-CG 3.39Å; T648-E652 PolarHBondContact O-N 3.02Å
649	K	88.6	Confident	83.9	Confident	27 Å²	27	54.6 Å²	54.6	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-37.5	178.4	-76	-72.1	167.9	-152.5	0	113	W645 I646 Q647 E652 I653 L720	W645-K649 HydrophobicContact CD2-CG 4.17Å; W645-K649 HydrophobicContact CE3-CG 4.25Å; W645-K649 HydrophobicContact CH2-CG 3.87Å; W645-K649 HydrophobicContact CZ2-CD 4.31Å; W645-K649 HydrophobicContact CZ2-CG 3.81Å; W645-K649 HydrophobicContact CZ3-CG 4.07Å; W645-K649 WeakPolarHBondContact O-CG 3.44Å; W645-K649 PolarHBondContact O-N 3.24Å; I646-K649 PolarHBondContact O-N 2.8Å; Q647-K649 VanDerWaalsContact C-N 3.3Å; Q647-K649 PolarHBondContact O-N 3.34Å; K649-E652 WeakPolarHBondContact CD-OE2 3.43Å; K649-E652 WeakPolarHBondContact CE-OE2 3.43Å; K649-E652 IonicContact NZ-OE2 2.66Å; K649-E652 PolarHBondContact NZ-OE2 3.18Å; K649-E652 PolarHBondContact O-N 2.93Å; K649-I653 WeakPolarHBondContact O-CD1 3.31Å; K649-I653 WeakPolarHBondContact O-CG1 3.05Å; K649-I653 PolarHBondContact O-N 3.06Å; K649-L720 HydrophobicContact CB-CD1 3.92Å; K649-L720 HydrophobicContact CB-CD2 4.03Å
650	M	86.5	Confident	82.1	Confident	46 Å²	46	57.4 Å²	57.4	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-45.4	171.7	-76.3	-159.6	-159.5	0	0	111.6	I646 Q647 E652 I653 G654 G716 Q719 L720	I646-M650 HydrophobicContact CG2-CE 3.99Å; I646-M650 PolarHBondContact O-N 2.95Å; Q647-M650 PolarHBondContact O-N 3.44Å; M650-E652 VanDerWaalsContact C-N 3.35Å; M650-E652 PolarHBondContact O-N 3.47Å; M650-I653 PolarHBondContact O-N 3.48Å; M650-G654 PolarHBondContact O-N 2.97Å; M650-G716 WeakPolarHBondContact CE-O 3.41Å; M650-Q719 HydrophobicContact CE-CB 3.68Å; M650-Q719 HydrophobicContact CE-CG 3.74Å; M650-Q719 HydrophobicContact SD-CG 4.31Å; M650-L720 HydrophobicContact CB-CD1 4.38Å; M650-L720 HydrophobicContact CE-CB 4.16Å; M650-L720 HydrophobicContact CG-CB 4.23Å; M650-L720 HydrophobicContact CG-CD1 3.67Å
651	E	85.9	Confident	80.2	Confident	99 Å²	99	63 Å²	63	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-35.3	178.6	-70.1	172.2	-168.9	0	0	112.8	Q647 T648 R655	Q647-E651 PolarHBondContact NE2-OE1 2.75Å; Q647-E651 WeakPolarHBondContact O-CG 3.47Å; Q647-E651 PolarHBondContact O-N 3.44Å; T648-E651 PolarHBondContact O-N 3.14Å; E651-R655 PolarHBondContact O-N 3.45Å; E651-R655 PolarHBondContact O-NE 3.33Å
652	E	84.9	Confident	78.8	Confident	47 Å²	47	61.3 Å²	61.3	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-41.3	174.6	-75.6	175.3	-178.6	0	0	112.8	T648 K649 M650 R655 Y674	T648-E652 WeakPolarHBondContact O-CG 3.39Å; T648-E652 PolarHBondContact O-N 3.02Å; K649-E652 WeakPolarHBondContact CD-OE2 3.43Å; K649-E652 WeakPolarHBondContact CE-OE2 3.43Å; K649-E652 IonicContact NZ-OE2 2.66Å; K649-E652 PolarHBondContact NZ-OE2 3.18Å; K649-E652 PolarHBondContact O-N 2.93Å; M650-E652 VanDerWaalsContact C-N 3.35Å; M650-E652 PolarHBondContact O-N 3.47Å; E652-R655 PolarHBondContact O-N 3.07Å; E652-Y674 HydrophobicContact CB-CE2 4.13Å
653	I	84.5	Confident	77.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.4	-66.8	157.7	0	0	0	110.3	K649 M650 R655 I656 L671 Y674 I678 L720 T723 I724	K649-I653 WeakPolarHBondContact O-CD1 3.31Å; K649-I653 WeakPolarHBondContact O-CG1 3.05Å; K649-I653 PolarHBondContact O-N 3.06Å; M650-I653 PolarHBondContact O-N 3.48Å; I653-R655 PolarHBondContact O-N 3.24Å; I653-I656 PolarHBondContact O-N 2.72Å; I653-I656 VanDerWaalsContact O-N 3.15Å; I653-L671 HydrophobicContact CG2-CD2 4.21Å; I653-Y674 HydrophobicContact CG1-CD2 4.18Å; I653-I678 HydrophobicContact CD1-CD1 4.19Å; I653-L720 HydrophobicContact CD1-CD1 3.46Å; I653-L720 VanDerWaalsContact CD1-CD1 3.46Å; I653-T723 HydrophobicContact CG2-CG2 4.21Å; I653-I724 HydrophobicContact CD1-CB 3.91Å; I653-I724 HydrophobicContact CD1-CD1 4.01Å; I653-I724 HydrophobicContact CD1-CG1 4.22Å; I653-I724 HydrophobicContact CG1-CD1 4.32Å
654	G	78.3	Confident	76.8	Confident	34 Å²	34	63.9 Å²	63.9	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-33.2	177.4	0	0	0	0	0	113.4	M650 I658	M650-G654 PolarHBondContact O-N 2.97Å; G654-I658 WeakPolarHBondContact O-CG1 3.44Å
655	R	77.8	Confident	76.2	Confident	125 Å²	125	65.4 Å²	65.4	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-34.2	176.4	-85.6	-176.9	-80.2	-153.8	-3.4	114	E651 E652 I653 S657 I658 E659	E651-R655 PolarHBondContact O-N 3.45Å; E651-R655 PolarHBondContact O-NE 3.33Å; E652-R655 PolarHBondContact O-N 3.07Å; I653-R655 PolarHBondContact O-N 3.24Å; R655-S657 VanDerWaalsContact C-N 3.26Å; R655-S657 PolarHBondContact O-N 3.43Å; R655-I658 PolarHBondContact O-N 3.16Å; R655-I658 VanDerWaalsContact O-N 3.12Å; R655-E659 PolarHBondContact O-N 3.13Å
656	I	73.1	Confident	75.5	Confident	22 Å²	22	67 Å²	67	11%	0.113	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-35	179.3	-67.8	178.8	0	0	0	111.3	I653 I658 Q667 H670 L671 Y674	I653-I656 PolarHBondContact O-N 2.72Å; I653-I656 VanDerWaalsContact O-N 3.15Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 2.87Å; I656-Q667 HydrophobicContact CG2-CB 4.33Å; I656-Q667 HydrophobicContact CG2-CG 4.49Å; I656-H670 HydrophobicContact CD1-CB 3.9Å; I656-L671 HydrophobicContact CB-CD2 4.38Å; I656-L671 HydrophobicContact CD1-CD2 3.96Å; I656-L671 HydrophobicContact CD1-CG 4.3Å; I656-L671 HydrophobicContact CG2-CD1 4.37Å; I656-L671 HydrophobicContact CG2-CD2 4.2Å; I656-L671 HydrophobicContact CG2-CG 4.12Å; I656-Y674 HydrophobicContact CD1-CD2 3.68Å; I656-Y674 HydrophobicContact CD1-CE2 3.33Å; I656-Y674 HydrophobicContact CG1-CE2 4.29Å
657	S	63.2	Low	74.8	Confident	55 Å²	55	67.1 Å²	67.1	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-27	176.5	-61.4	0	0	0	0	113.3	R655 T727	R655-S657 VanDerWaalsContact C-N 3.26Å; R655-S657 PolarHBondContact O-N 3.43Å; S657-T727 VanDerWaalsContact OG-CG2 3.3Å; S657-T727 WeakPolarHBondContact OG-CG2 3.41Å
658	I	60.9	Low	74.5	Confident	111 Å²	111	63.6 Å²	63.6	57%	0.569	34%	0.336	S	S	*	.	H	α-helix	trans	-98.7	-44.7	-172.4	-59.7	169.3	0	0	0	111.3	G654 R655 I656 M660	G654-I658 WeakPolarHBondContact O-CG1 3.44Å; R655-I658 PolarHBondContact O-N 3.16Å; R655-I658 VanDerWaalsContact O-N 3.12Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 2.87Å; I658-M660 VanDerWaalsContact C-N 3.32Å; I658-M660 PolarHBondContact O-N 3.32Å; I658-M660 VanDerWaalsContact O-N 3.1Å
659	E	57.9	Low	74.2	Confident	138 Å²	138	64 Å²	64	65%	0.645	34%	0.342	S	S	*	.			trans	-89.6	67.7	-178	-66.3	-180	178.3	0	0	110.1	R655 H661	R655-E659 PolarHBondContact O-N 3.13Å; E659-H661 PolarHBondContact O-N 3.27Å
660	M	54.9	Low	74	Confident	60 Å²	60	67.5 Å²	67.5	30%	0.296	36%	0.358	S	S	.	.			trans	-78	57.8	-175.8	-63.8	-167.7	86.7	0	0	114.1	I658 L664 Q667 R752	I658-M660 VanDerWaalsContact C-N 3.32Å; I658-M660 PolarHBondContact O-N 3.32Å; I658-M660 VanDerWaalsContact O-N 3.1Å; M660-L664 HydrophobicContact CE-CD2 4.18Å; M660-Q667 VanDerWaalsContact CA-NE2 3.26Å; M660-Q667 VanDerWaalsContact CB-NE2 3.31Å; M660-R752 VanDerWaalsContact CE-NH2 3.31Å
661	H	54.1	Low	73.9	Confident	186 Å²	186	65.3 Å²	65.3	86%	0.861	35%	0.347	S	S	*	.			trans	-92.8	109.9	166.2	-73.2	-53.8	0	0	0	110.3	E659	E659-H661 PolarHBondContact O-N 3.27Å
662	G	63	Low	74	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	34%	0.343	S	S	.	.	S	Bend	trans	139.8	177.3	176.6	0	0	0	0	0	112.6
663	T	70.1	Confident	74.1	Confident	59 Å²	59	69.4 Å²	69.4	36%	0.362	36%	0.362	S	S	.	.			trans	-74.2	157.5	172.7	63.4	0	0	0	0	110.3	E665 D666 Q667	T663-E665 VanDerWaalsContact CB-OE2 3.32Å; T663-E665 WeakPolarHBondContact CB-OE2 3.46Å; T663-E665 PolarHBondContact O-N 2.71Å; T663-D666 PolarHBondContact N-OD2 2.91Å; T663-D666 VanDerWaalsContact N-OD2 3.12Å; T663-D666 PolarHBondContact O-N 2.59Å; T663-D666 PolarHBondContact OG1-N 3.12Å; T663-D666 PolarHBondContact OG1-OD2 2.98Å; T663-Q667 PolarHBondContact O-N 3.04Å
664	L	72.3	Confident	74.3	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-29.9	174.6	-73.3	172.5	0	0	0	110.7	M660 L668 V731 Q734 I735	M660-L664 HydrophobicContact CE-CD2 4.18Å; L664-L668 WeakPolarHBondContact O-CB 3.37Å; L664-L668 PolarHBondContact O-N 3Å; L664-V731 HydrophobicContact CD2-CG1 4.32Å; L664-Q734 HydrophobicContact CD1-CB 4.23Å; L664-I735 HydrophobicContact CB-CD1 4.07Å; L664-I735 HydrophobicContact CB-CG1 3.75Å; L664-I735 HydrophobicContact CD1-CG1 3.94Å; L664-I735 HydrophobicContact CG-CG1 4.45Å
665	E	80	Confident	74.9	Confident	81 Å²	81	73.5 Å²	73.5	38%	0.379	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-39.1	174.9	-63	80.2	178.2	0	0	112.4	T663 S669 R738	T663-E665 VanDerWaalsContact CB-OE2 3.32Å; T663-E665 WeakPolarHBondContact CB-OE2 3.46Å; T663-E665 PolarHBondContact O-N 2.71Å; E665-S669 WeakPolarHBondContact O-CB 3.38Å; E665-S669 PolarHBondContact O-N 2.91Å; E665-R738 IonicContact OE1-CZ 3.61Å; E665-R738 IonicContact OE1-NH1 2.89Å; E665-R738 PolarHBondContact OE1-NH1 3.26Å; E665-R738 IonicContact OE1-NH2 3.39Å; E665-R738 PolarHBondContact OE1-NH2 2.83Å; E665-R738 IonicContact OE2-NH1 3.96Å
666	D	79.2	Confident	75.4	Confident	82 Å²	82	74.4 Å²	74.4	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-40.9	176.8	-64.6	-44.7	0	0	0	112.1	T663 S669 H670	T663-D666 PolarHBondContact N-OD2 2.91Å; T663-D666 VanDerWaalsContact N-OD2 3.12Å; T663-D666 PolarHBondContact O-N 2.59Å; T663-D666 PolarHBondContact OG1-N 3.12Å; T663-D666 PolarHBondContact OG1-OD2 2.98Å; D666-S669 WeakPolarHBondContact O-CB 3.43Å; D666-S669 PolarHBondContact O-N 2.9Å; D666-H670 PolarHBondContact O-N 3.3Å
667	Q	76.5	Confident	76.3	Confident	11 Å²	11	75.4 Å²	75.4	5%	0.051	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.9	-67.8	176	-5.2	0	0	111.4	I656 M660 T663 S669 H670 L671	I656-Q667 HydrophobicContact CG2-CB 4.33Å; I656-Q667 HydrophobicContact CG2-CG 4.49Å; M660-Q667 VanDerWaalsContact CA-NE2 3.26Å; M660-Q667 VanDerWaalsContact CB-NE2 3.31Å; T663-Q667 PolarHBondContact O-N 3.04Å; Q667-S669 VanDerWaalsContact C-N 3.29Å; Q667-S669 PolarHBondContact O-N 3.16Å; Q667-H670 PolarHBondContact O-N 3.16Å; Q667-L671 WeakPolarHBondContact O-CG 3.45Å; Q667-L671 PolarHBondContact O-N 3.31Å
668	L	82.3	Confident	77.6	Confident	32 Å²	32	72.9 Å²	72.9	17%	0.168	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-41.5	174.3	-173.2	62.6	0	0	0	110.9	L664 H670 L671 R672 I728 V731 E732 I735	L664-L668 WeakPolarHBondContact O-CB 3.37Å; L664-L668 PolarHBondContact O-N 3Å; L668-H670 PolarHBondContact O-N 3.03Å; L668-L671 PolarHBondContact O-N 2.81Å; L668-R672 HydrophobicContact CG-CG 4.48Å; L668-R672 WeakPolarHBondContact O-CB 3.41Å; L668-R672 VanDerWaalsContact O-CG 3.22Å; L668-R672 WeakPolarHBondContact O-CG 3.42Å; L668-R672 PolarHBondContact O-N 3.1Å; L668-I728 HydrophobicContact CD1-CG2 3.92Å; L668-V731 HydrophobicContact CB-CG1 4.07Å; L668-V731 HydrophobicContact CD1-CG1 4.45Å; L668-E732 HydrophobicContact CD1-CG 3.88Å; L668-E732 HydrophobicContact CD2-CG 4.16Å; L668-I735 HydrophobicContact CD2-CD1 4.07Å
669	S	84.4	Confident	79	Confident	72 Å²	72	72 Å²	72	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-47.1	175.3	178.9	0	0	0	0	112.5	E665 D666 Q667 R672 Q673	E665-S669 WeakPolarHBondContact O-CB 3.38Å; E665-S669 PolarHBondContact O-N 2.91Å; D666-S669 WeakPolarHBondContact O-CB 3.43Å; D666-S669 PolarHBondContact O-N 2.9Å; Q667-S669 VanDerWaalsContact C-N 3.29Å; Q667-S669 PolarHBondContact O-N 3.16Å; S669-R672 PolarHBondContact O-N 3.22Å; S669-Q673 PolarHBondContact O-N 3.27Å
670	H	84.4	Confident	80.6	Confident	100 Å²	100	70.9 Å²	70.9	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-41.7	177	-71.3	179.4	0	0	0	112.5	I656 D666 Q667 L668 Q673 Y674	I656-H670 HydrophobicContact CD1-CB 3.9Å; D666-H670 PolarHBondContact O-N 3.3Å; Q667-H670 PolarHBondContact O-N 3.16Å; L668-H670 PolarHBondContact O-N 3.03Å; H670-Q673 WeakPolarHBondContact O-CB 2.92Å; H670-Q673 PolarHBondContact O-N 3.05Å; H670-Y674 PolarHBondContact O-N 3.01Å
671	L	84.9	Confident	82.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-40.6	176	-69.7	168.8	0	0	0	111.7	I653 I656 Q667 L668 Q673 Y674 E675 T727 I728 V731	I653-L671 HydrophobicContact CG2-CD2 4.21Å; I656-L671 HydrophobicContact CB-CD2 4.38Å; I656-L671 HydrophobicContact CD1-CD2 3.96Å; I656-L671 HydrophobicContact CD1-CG 4.3Å; I656-L671 HydrophobicContact CG2-CD1 4.37Å; I656-L671 HydrophobicContact CG2-CD2 4.2Å; I656-L671 HydrophobicContact CG2-CG 4.12Å; Q667-L671 WeakPolarHBondContact O-CG 3.45Å; Q667-L671 PolarHBondContact O-N 3.31Å; L668-L671 PolarHBondContact O-N 2.81Å; L671-Q673 VanDerWaalsContact C-N 3.27Å; L671-Q673 PolarHBondContact O-N 3Å; L671-Y674 PolarHBondContact O-N 2.88Å; L671-E675 WeakPolarHBondContact O-CB 3.35Å; L671-E675 PolarHBondContact O-N 3.31Å; L671-T727 HydrophobicContact CD1-CG2 3.83Å; L671-T727 HydrophobicContact CD2-CG2 4.16Å; L671-I728 HydrophobicContact CB-CD1 4.22Å; L671-I728 HydrophobicContact CB-CG1 3.64Å; L671-I728 HydrophobicContact CD1-CG1 4.23Å; L671-I728 HydrophobicContact CG-CG1 4.47Å; L671-V731 HydrophobicContact CD1-CG2 4.11Å
672	R	87	Confident	84.1	Confident	101 Å²	101	64.4 Å²	64.4	38%	0.381	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-32.7	172.9	-68.8	-63.2	-176.2	-176	-0.5	112.2	L668 S669 E675 K676 E732	L668-R672 HydrophobicContact CG-CG 4.48Å; L668-R672 WeakPolarHBondContact O-CB 3.41Å; L668-R672 VanDerWaalsContact O-CG 3.22Å; L668-R672 WeakPolarHBondContact O-CG 3.42Å; L668-R672 PolarHBondContact O-N 3.1Å; S669-R672 PolarHBondContact O-N 3.22Å; R672-E675 WeakPolarHBondContact CD-OE2 3.28Å; R672-E675 IonicContact CZ-OE2 3.01Å; R672-E675 IonicContact NE-OE2 2.74Å; R672-E675 IonicContact NH1-OE1 3.69Å; R672-E675 PolarHBondContact NH1-OE1 3.41Å; R672-E675 IonicContact NH1-OE2 2.75Å; R672-E675 PolarHBondContact NH1-OE2 3.23Å; R672-K676 WeakPolarHBondContact O-CB 3.41Å; R672-K676 PolarHBondContact O-N 3.36Å; R672-E732 IonicContact CZ-OE1 3.97Å; R672-E732 IonicContact NH2-OE1 3.85Å; R672-E732 PolarHBondContact NH2-OE1 3.2Å; R672-E732 IonicContact NH2-OE2 3.39Å
673	Q	87.8	Confident	85.6	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-67.7	-42	172.8	-172.1	178.9	3.9	0	0	112.1	S669 H670 L671 K676 S677	S669-Q673 PolarHBondContact O-N 3.27Å; H670-Q673 WeakPolarHBondContact O-CB 2.92Å; H670-Q673 PolarHBondContact O-N 3.05Å; L671-Q673 VanDerWaalsContact C-N 3.27Å; L671-Q673 PolarHBondContact O-N 3Å; Q673-K676 PolarHBondContact O-N 3.33Å; Q673-S677 PolarHBondContact O-N 2.91Å
674	Y	88.6	Confident	86.6	Confident	57 Å²	57	67.9 Å²	67.9	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-38.2	173.8	-71.7	-27.1	0	0	0	112.6	E652 I653 I656 H670 L671 K676 S677 I678	E652-Y674 HydrophobicContact CB-CE2 4.13Å; I653-Y674 HydrophobicContact CG1-CD2 4.18Å; I656-Y674 HydrophobicContact CD1-CD2 3.68Å; I656-Y674 HydrophobicContact CD1-CE2 3.33Å; I656-Y674 HydrophobicContact CG1-CE2 4.29Å; H670-Y674 PolarHBondContact O-N 3.01Å; L671-Y674 PolarHBondContact O-N 2.88Å; Y674-K676 VanDerWaalsContact C-N 3.32Å; Y674-K676 PolarHBondContact O-N 3.36Å; Y674-S677 CarbonylContact O-C 3.53Å; Y674-S677 WeakPolarHBondContact O-CA 3.15Å; Y674-S677 WeakPolarHBondContact O-CB 3.49Å; Y674-S677 PolarHBondContact O-N 3.46Å; Y674-S677 VanDerWaalsContact O-N 3.08Å; Y674-I678 VanDerWaalsContact O-CG1 3.31Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 2.99Å
675	E	89.6	Confident	87.5	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-46.9	173.3	-176.3	-176.6	-145.9	0	0	110.4	L671 R672 S677 I678 V679 I724 I728	L671-E675 WeakPolarHBondContact O-CB 3.35Å; L671-E675 PolarHBondContact O-N 3.31Å; R672-E675 WeakPolarHBondContact CD-OE2 3.28Å; R672-E675 IonicContact CZ-OE2 3.01Å; R672-E675 IonicContact NE-OE2 2.74Å; R672-E675 IonicContact NH1-OE1 3.69Å; R672-E675 PolarHBondContact NH1-OE1 3.41Å; R672-E675 IonicContact NH1-OE2 2.75Å; R672-E675 PolarHBondContact NH1-OE2 3.23Å; E675-S677 VanDerWaalsContact C-N 3.33Å; E675-S677 PolarHBondContact O-N 3.43Å; E675-I678 PolarHBondContact O-N 2.9Å; E675-I678 VanDerWaalsContact O-N 3.16Å; E675-V679 WeakPolarHBondContact O-CG2 3.42Å; E675-V679 PolarHBondContact O-N 3.04Å; E675-I724 HydrophobicContact CB-CD1 3.91Å; E675-I728 HydrophobicContact CB-CD1 4.21Å
676	K	89.9	Confident	88	Confident	144 Å²	144	68 Å²	68	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-61.7	-39.4	174.1	-170.1	175.4	-176.4	175.7	0	112.6	R672 Q673 Y674 I678 N680	R672-K676 WeakPolarHBondContact O-CB 3.41Å; R672-K676 PolarHBondContact O-N 3.36Å; Q673-K676 PolarHBondContact O-N 3.33Å; Y674-K676 VanDerWaalsContact C-N 3.32Å; Y674-K676 PolarHBondContact O-N 3.36Å; K676-I678 VanDerWaalsContact C-N 3.33Å; K676-N680 WeakPolarHBondContact O-CB 3.45Å; K676-N680 PolarHBondContact O-N 3.23Å; K676-N680 PolarHBondContact O-ND2 2.79Å
677	S	90.6	Very high	88.6	Confident	43 Å²	43	69.1 Å²	69.1	30%	0.301	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-37.5	175.1	-175.1	0	0	0	0	112.3	Q673 Y674 E675 Y681	Q673-S677 PolarHBondContact O-N 2.91Å; Y674-S677 CarbonylContact O-C 3.53Å; Y674-S677 WeakPolarHBondContact O-CA 3.15Å; Y674-S677 WeakPolarHBondContact O-CB 3.49Å; Y674-S677 PolarHBondContact O-N 3.46Å; Y674-S677 VanDerWaalsContact O-N 3.08Å; E675-S677 VanDerWaalsContact C-N 3.33Å; E675-S677 PolarHBondContact O-N 3.43Å; S677-Y681 PolarHBondContact O-N 2.82Å
678	I	90.3	Very high	89.4	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-46.9	177.5	-67.8	162.8	0	0	0	110.2	W645 I653 Y674 E675 K676 N680 Y681 K682 W717 L720 L721 I724	W645-I678 HydrophobicContact CH2-CG1 4Å; I653-I678 HydrophobicContact CD1-CD1 4.19Å; Y674-I678 VanDerWaalsContact O-CG1 3.31Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 2.99Å; E675-I678 PolarHBondContact O-N 2.9Å; E675-I678 VanDerWaalsContact O-N 3.16Å; K676-I678 VanDerWaalsContact C-N 3.33Å; I678-N680 VanDerWaalsContact C-N 3.27Å; I678-N680 PolarHBondContact O-N 2.97Å; I678-Y681 PolarHBondContact O-N 2.92Å; I678-K682 PolarHBondContact O-N 3.38Å; I678-W717 HydrophobicContact CG2-CH2 3.65Å; I678-W717 HydrophobicContact CG2-CZ2 3.74Å; I678-W717 HydrophobicContact CG2-CZ3 4.33Å; I678-W717 VanDerWaalsContact O-CH2 3.23Å; I678-W717 WeakPolarHBondContact O-CH2 3.4Å; I678-L720 HydrophobicContact CD1-CD1 4.15Å; I678-L720 HydrophobicContact CD1-CD2 4.08Å; I678-L720 HydrophobicContact CD1-CG 3.9Å; I678-L720 HydrophobicContact CG1-CD2 4.1Å; I678-L720 HydrophobicContact CG1-CG 4.46Å; I678-L721 HydrophobicContact CG2-CD2 3.68Å; I678-L721 HydrophobicContact CG2-CG 4.5Å; I678-I724 HydrophobicContact CD1-CB 4.39Å; I678-I724 HydrophobicContact CD1-CD1 3.65Å; I678-I724 HydrophobicContact CD1-CG2 4.13Å
679	V	90.4	Very high	89.9	Confident	92 Å²	92	70.1 Å²	70.1	56%	0.558	35%	0.348	S	S	*	.	H	α-helix	trans	-57	-42.4	175.5	172.8	0	0	0	0	111.4	E675 Y681 K682	E675-V679 WeakPolarHBondContact O-CG2 3.42Å; E675-V679 PolarHBondContact O-N 3.04Å; V679-Y681 PolarHBondContact O-N 3.39Å; V679-K682 VanDerWaalsContact O-CB 3.23Å; V679-K682 WeakPolarHBondContact O-CB 3.47Å; V679-K682 PolarHBondContact O-N 2.79Å
680	N	92.3	Very high	90.3	Very high	116 Å²	116	68.1 Å²	68.1	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-65.6	-23.3	177.2	-74.7	-13.4	0	0	0	113.8	K676 I678 P683	K676-N680 WeakPolarHBondContact O-CB 3.45Å; K676-N680 PolarHBondContact O-N 3.23Å; K676-N680 PolarHBondContact O-ND2 2.79Å; I678-N680 VanDerWaalsContact C-N 3.27Å; I678-N680 PolarHBondContact O-N 2.97Å; N680-P683 WeakPolarHBondContact O-CD 3.41Å
681	Y	92.3	Very high	90.6	Very high	26 Å²	26	64.3 Å²	64.3	10%	0.102	32%	0.321	C	S	.	.	H	α-helix	trans	-88.3	-14.8	-179.4	-151.5	-94.3	0	0	0	112.9	I642 W645 S677 I678 V679 K684 W717	I642-Y681 HydrophobicContact CG1-CE1 4.15Å; W645-Y681 AromaticContact CD1-CE2 3.86Å; W645-Y681 AromaticContact CD1-CZ 3.95Å; W645-Y681 AromaticContact CD2-CD1 3.89Å; W645-Y681 HydrophobicContact CD2-CD1 3.89Å; W645-Y681 HydrophobicContact CD2-CD2 4.13Å; W645-Y681 AromaticContact CD2-CE1 3.74Å; W645-Y681 HydrophobicContact CD2-CE1 3.74Å; W645-Y681 AromaticContact CD2-CE2 3.99Å; W645-Y681 HydrophobicContact CD2-CE2 3.99Å; W645-Y681 HydrophobicContact CD2-CG 4.09Å; W645-Y681 AromaticContact CD2-CZ 3.8Å; W645-Y681 AromaticContact CE2-CD2 3.59Å; W645-Y681 AromaticContact CE2-CE2 3.74Å; W645-Y681 AromaticContact CE2-CG 3.79Å; W645-Y681 AromaticContact CE3-CD1 3.74Å; W645-Y681 HydrophobicContact CE3-CD1 3.74Å; W645-Y681 AromaticContact CE3-CE1 3.84Å; W645-Y681 HydrophobicContact CE3-CE1 3.84Å; W645-Y681 HydrophobicContact CE3-CG 4.19Å; W645-Y681 HydrophobicContact CG-CE1 4.05Å; W645-Y681 HydrophobicContact CG-CE2 4.07Å; W645-Y681 AromaticContact CG-CZ 3.74Å; W645-Y681 HydrophobicContact CH2-CD1 4.07Å; W645-Y681 HydrophobicContact CH2-CD2 4.33Å; W645-Y681 AromaticContact CH2-CG 3.77Å; W645-Y681 HydrophobicContact CH2-CG 3.77Å; W645-Y681 HydrophobicContact CZ2-CD1 4.17Å; W645-Y681 AromaticContact CZ2-CD2 3.69Å; W645-Y681 HydrophobicContact CZ2-CD2 3.69Å; W645-Y681 HydrophobicContact CZ2-CE2 4.31Å; W645-Y681 AromaticContact CZ2-CG 3.61Å; W645-Y681 HydrophobicContact CZ2-CG 3.61Å; W645-Y681 AromaticContact CZ3-CD1 3.88Å; W645-Y681 HydrophobicContact CZ3-CD1 3.88Å; W645-Y681 HydrophobicContact CZ3-CE1 4.44Å; W645-Y681 HydrophobicContact CZ3-CG 4.08Å; W645-Y681 AromaticContact NE1-CD2 3.84Å; W645-Y681 AromaticContact NE1-CE2 3.63Å; S677-Y681 PolarHBondContact O-N 2.82Å; I678-Y681 PolarHBondContact O-N 2.92Å; V679-Y681 PolarHBondContact O-N 3.39Å; Y681-K684 HydrophobicContact CD1-CB 4.39Å; Y681-K684 HydrophobicContact CD1-CD 4.41Å; Y681-K684 HydrophobicContact CD2-CD 4.17Å; Y681-K684 HydrophobicContact CE1-CB 4.28Å; Y681-K684 HydrophobicContact CE1-CD 4Å; Y681-K684 HydrophobicContact CE2-CD 3.73Å; Y681-K684 HydrophobicContact CG-CD 4.49Å; Y681-K684 WeakPolarHBondContact O-CB 3.2Å; Y681-K684 PolarHBondContact O-N 2.9Å; Y681-W717 HydrophobicContact CD1-CH2 4.47Å; Y681-W717 HydrophobicContact CD1-CZ3 4.06Å
682	K	91.1	Very high	91	Very high	83 Å²	83	65.9 Å²	65.9	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-47.7	-43.1	178.8	-178.7	68.1	169.1	66	0	114.9	I678 V679 K684 I685 D686 W717	I678-K682 PolarHBondContact O-N 3.38Å; V679-K682 VanDerWaalsContact O-CB 3.23Å; V679-K682 WeakPolarHBondContact O-CB 3.47Å; V679-K682 PolarHBondContact O-N 2.79Å; K682-K684 PolarHBondContact O-N 3.28Å; K682-K684 VanDerWaalsContact O-N 3.15Å; K682-I685 WeakPolarHBondContact O-CB 3.48Å; K682-I685 PolarHBondContact O-N 3.11Å; K682-D686 IonicContact NZ-OD1 3.72Å; K682-D686 PolarHBondContact NZ-OD1 3.28Å; K682-D686 IonicContact NZ-OD2 3.36Å; K682-D686 PolarHBondContact NZ-OD2 3.44Å; K682-D686 PolarHBondContact O-N 3.07Å; K682-D686 VanDerWaalsContact O-N 3.12Å; K682-W717 HydrophobicContact CB-CZ2 4.15Å; K682-W717 HydrophobicContact CD-CZ2 4.06Å
683	P	93.4	Very high	91.2	Very high	83 Å²	83	66 Å²	66	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-27.1	-179.4	-24.9	35.8	0	0	0	114.3	N680 D686 Q687	N680-P683 WeakPolarHBondContact O-CD 3.41Å; P683-D686 PolarHBondContact O-N 3.46Å; P683-Q687 WeakPolarHBondContact O-CB 3.2Å; P683-Q687 PolarHBondContact O-N 2.88Å
684	K	90.6	Very high	91.4	Very high	100 Å²	100	63.8 Å²	63.8	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-73.2	-31.4	176	-68.5	-177.9	174.9	-178.1	0	112.3	I642 Y681 K682 L688	I642-K684 HydrophobicContact CD1-CB 4.42Å; Y681-K684 HydrophobicContact CD1-CB 4.39Å; Y681-K684 HydrophobicContact CD1-CD 4.41Å; Y681-K684 HydrophobicContact CD2-CD 4.17Å; Y681-K684 HydrophobicContact CE1-CB 4.28Å; Y681-K684 HydrophobicContact CE1-CD 4Å; Y681-K684 HydrophobicContact CE2-CD 3.73Å; Y681-K684 HydrophobicContact CG-CD 4.49Å; Y681-K684 WeakPolarHBondContact O-CB 3.2Å; Y681-K684 PolarHBondContact O-N 2.9Å; K682-K684 PolarHBondContact O-N 3.28Å; K682-K684 VanDerWaalsContact O-N 3.15Å; K684-L688 PolarHBondContact O-N 2.95Å
685	I	92.1	Very high	91.5	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-43.4	172.5	-54.4	-60	0	0	0	109.7	I642 K682 Q687 L688 E689 I713 W717	I642-I685 HydrophobicContact CD1-CD1 4.44Å; I642-I685 HydrophobicContact CG2-CD1 3.31Å; K682-I685 WeakPolarHBondContact O-CB 3.48Å; K682-I685 PolarHBondContact O-N 3.11Å; I685-Q687 VanDerWaalsContact C-N 3.31Å; I685-Q687 PolarHBondContact O-N 3.46Å; I685-L688 PolarHBondContact O-N 3.07Å; I685-E689 PolarHBondContact O-N 3.29Å; I685-I713 HydrophobicContact CD1-CG2 4.1Å; I685-W717 HydrophobicContact CD1-CD2 4.08Å; I685-W717 HydrophobicContact CD1-CE3 3.64Å; I685-W717 HydrophobicContact CD1-CZ3 3.98Å; I685-W717 HydrophobicContact CG1-CD2 3.7Å; I685-W717 HydrophobicContact CG1-CE3 3.61Å; I685-W717 HydrophobicContact CG1-CG 4.31Å; I685-W717 HydrophobicContact CG1-CH2 4.03Å; I685-W717 HydrophobicContact CG1-CZ2 4.15Å; I685-W717 HydrophobicContact CG1-CZ3 3.75Å
686	D	91.4	Very high	91.5	Very high	79 Å²	79	63.1 Å²	63.1	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-36.2	178.1	-63.7	-28.3	0	0	0	111.9	K682 P683 E689 G690	K682-D686 IonicContact NZ-OD1 3.72Å; K682-D686 PolarHBondContact NZ-OD1 3.28Å; K682-D686 IonicContact NZ-OD2 3.36Å; K682-D686 PolarHBondContact NZ-OD2 3.44Å; K682-D686 PolarHBondContact O-N 3.07Å; K682-D686 VanDerWaalsContact O-N 3.12Å; P683-D686 PolarHBondContact O-N 3.46Å; D686-E689 PolarHBondContact O-N 3.15Å; D686-G690 PolarHBondContact O-N 3.42Å
687	Q	91.7	Very high	91.5	Very high	105 Å²	105	62.2 Å²	62.2	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-43	172.2	-171.7	178.7	-1.5	0	0	112	P683 I685 E689 G690 D691	P683-Q687 WeakPolarHBondContact O-CB 3.2Å; P683-Q687 PolarHBondContact O-N 2.88Å; I685-Q687 VanDerWaalsContact C-N 3.31Å; I685-Q687 PolarHBondContact O-N 3.46Å; Q687-E689 VanDerWaalsContact C-N 3.32Å; Q687-E689 PolarHBondContact O-N 3Å; Q687-G690 PolarHBondContact O-N 3.25Å; Q687-D691 PolarHBondContact O-N 2.96Å
688	L	93.1	Very high	91.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-37.3	176.5	-174.5	72.6	0	0	0	112	F635 Q638 A639 I642 K684 I685 D691 H692 M710 I713	F635-L688 HydrophobicContact CD2-CD1 3.53Å; F635-L688 HydrophobicContact CD2-CG 4.13Å; F635-L688 HydrophobicContact CE2-CD1 3.61Å; F635-L688 HydrophobicContact CE2-CD2 4.36Å; F635-L688 HydrophobicContact CE2-CG 3.78Å; F635-L688 HydrophobicContact CG-CD1 4.09Å; F635-L688 HydrophobicContact CZ-CD1 4.25Å; F635-L688 HydrophobicContact CZ-CG 4.47Å; Q638-L688 HydrophobicContact CB-CD1 3.62Å; A639-L688 HydrophobicContact CB-CD1 4.07Å; A639-L688 HydrophobicContact CB-CD2 4.23Å; I642-L688 HydrophobicContact CD1-CB 3.91Å; I642-L688 HydrophobicContact CD1-CD2 3.87Å; I642-L688 HydrophobicContact CD1-CG 4.32Å; K684-L688 PolarHBondContact O-N 2.95Å; I685-L688 PolarHBondContact O-N 3.07Å; L688-D691 PolarHBondContact O-N 3.26Å; L688-H692 WeakPolarHBondContact O-CB 3.38Å; L688-H692 PolarHBondContact O-N 3.02Å; L688-M710 HydrophobicContact CD2-CE 4.39Å; L688-M710 HydrophobicContact CD2-SD 3.81Å; L688-M710 HydrophobicContact CG-SD 3.88Å; L688-I713 HydrophobicContact CD2-CB 4.19Å; L688-I713 HydrophobicContact CD2-CG1 3.9Å; L688-I713 HydrophobicContact CD2-CG2 3.88Å
689	E	92.1	Very high	91.3	Very high	65 Å²	65	67.9 Å²	67.9	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-42.3	173.7	-170.6	66.7	-133.4	0	0	111	I685 D686 Q687 H692 Q693 M710 R714	I685-E689 PolarHBondContact O-N 3.29Å; D686-E689 PolarHBondContact O-N 3.15Å; Q687-E689 VanDerWaalsContact C-N 3.32Å; Q687-E689 PolarHBondContact O-N 3Å; E689-H692 WeakPolarHBondContact O-CB 3.4Å; E689-H692 PolarHBondContact O-N 3.27Å; E689-Q693 PolarHBondContact O-N 2.89Å; E689-M710 HydrophobicContact CB-CE 4.01Å; E689-M710 WeakPolarHBondContact OE2-CE 3.16Å; E689-R714 IonicContact OE1-CZ 2.71Å; E689-R714 IonicContact OE1-NE 3.87Å; E689-R714 IonicContact OE1-NH2 3.26Å; E689-R714 PolarHBondContact OE1-NH2 3.35Å; E689-R714 IonicContact OE2-CZ 2.77Å; E689-R714 IonicContact OE2-NE 2.74Å; E689-R714 PolarHBondContact OE2-NE 3.39Å; E689-R714 IonicContact OE2-NH2 3.82Å; E689-R714 PolarHBondContact OE2-NH2 3.26Å
690	G	92	Very high	91.2	Very high	29 Å²	29	63.8 Å²	63.8	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-44.4	172.8	0	0	0	0	0	113.2	D686 Q687 H692 Q693 L694	D686-G690 PolarHBondContact O-N 3.42Å; Q687-G690 PolarHBondContact O-N 3.25Å; G690-H692 VanDerWaalsContact C-N 3.28Å; G690-H692 PolarHBondContact O-N 2.85Å; G690-Q693 PolarHBondContact O-N 2.97Å; G690-L694 WeakPolarHBondContact O-CG 3.48Å; G690-L694 PolarHBondContact O-N 3.04Å; G690-L694 VanDerWaalsContact O-N 3.1Å
691	D	91.8	Very high	90.9	Very high	21 Å²	21	66.5 Å²	66.5	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-37.4	174.7	-75.9	1.4	0	0	0	111.3	F635 Q638 Q687 L688 L694 I695	F635-D691 HydrophobicContact CD2-CB 4.4Å; Q638-D691 PolarHBondContact NE2-OD2 2.96Å; Q687-D691 PolarHBondContact O-N 2.96Å; L688-D691 PolarHBondContact O-N 3.26Å; D691-L694 PolarHBondContact O-N 3.19Å; D691-I695 WeakPolarHBondContact O-CG1 3.23Å; D691-I695 PolarHBondContact O-N 3.32Å; D691-I695 VanDerWaalsContact O-N 3.16Å
692	H	92.1	Very high	90.6	Very high	32 Å²	32	69.3 Å²	69.3	15%	0.148	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-42.2	175.6	-171.7	56.3	0	0	0	112.4	F635 L688 E689 G690 L694 I695 Q696 M710	F635-H692 HydrophobicContact CD2-CB 4.09Å; F635-H692 HydrophobicContact CE2-CB 3.77Å; F635-H692 AromaticContact CE2-ND1 3.99Å; L688-H692 WeakPolarHBondContact O-CB 3.38Å; L688-H692 PolarHBondContact O-N 3.02Å; E689-H692 WeakPolarHBondContact O-CB 3.4Å; E689-H692 PolarHBondContact O-N 3.27Å; G690-H692 VanDerWaalsContact C-N 3.28Å; G690-H692 PolarHBondContact O-N 2.85Å; H692-L694 VanDerWaalsContact C-N 3.35Å; H692-L694 PolarHBondContact O-N 3.36Å; H692-I695 WeakPolarHBondContact O-CB 3.43Å; H692-I695 PolarHBondContact O-N 3.3Å; H692-Q696 PolarHBondContact NE2-NE2 2.94Å; H692-Q696 WeakPolarHBondContact O-CG 3.49Å; H692-Q696 PolarHBondContact O-N 3.33Å; H692-M710 HydrophobicContact CB-CB 4.37Å; H692-M710 HydrophobicContact CB-CG 4.17Å; H692-M710 HydrophobicContact CB-SD 4.39Å
693	Q	91.8	Very high	90.6	Very high	105 Å²	105	67 Å²	67	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.4	-176.8	179	-7.4	0	0	111.2	E689 G690 I695 Q696 E697	E689-Q693 PolarHBondContact O-N 2.89Å; G690-Q693 PolarHBondContact O-N 2.97Å; Q693-I695 VanDerWaalsContact C-N 3.29Å; Q693-I695 PolarHBondContact O-N 3.39Å; Q693-Q696 PolarHBondContact O-N 3.04Å; Q693-Q696 VanDerWaalsContact O-N 3.14Å; Q693-E697 HydrophobicContact CG-CG 4.39Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.27Å; Q693-E697 PolarHBondContact NE2-OE1 3.47Å; Q693-E697 WeakPolarHBondContact O-CG 3.46Å; Q693-E697 PolarHBondContact O-N 3.38Å
694	L	91.8	Very high	90.4	Very high	83 Å²	83	70 Å²	70	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-37.9	176.5	-68.2	173.6	0	0	0	112.3	L631 G690 D691 H692 A698	L631-L694 HydrophobicContact CD1-CB 4.38Å; L631-L694 HydrophobicContact CD2-CB 4.09Å; L631-L694 HydrophobicContact CD2-CD1 4.34Å; G690-L694 WeakPolarHBondContact O-CG 3.48Å; G690-L694 PolarHBondContact O-N 3.04Å; G690-L694 VanDerWaalsContact O-N 3.1Å; D691-L694 PolarHBondContact O-N 3.19Å; H692-L694 VanDerWaalsContact C-N 3.35Å; H692-L694 PolarHBondContact O-N 3.36Å; L694-A698 VanDerWaalsContact O-CB 3.28Å; L694-A698 WeakPolarHBondContact O-CB 3.48Å; L694-A698 PolarHBondContact O-N 2.91Å
695	I	90.7	Very high	90.4	Very high	10 Å²	10	68.1 Å²	68.1	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-43.5	174.5	-75.4	175	0	0	0	111.2	L631 F635 D691 H692 Q693 A698 L699 I700	L631-I695 HydrophobicContact CB-CD1 4.42Å; L631-I695 HydrophobicContact CB-CG1 3.72Å; F635-I695 HydrophobicContact CB-CD1 3.37Å; F635-I695 HydrophobicContact CD2-CD1 4.23Å; F635-I695 HydrophobicContact CG-CD1 3.82Å; D691-I695 WeakPolarHBondContact O-CG1 3.23Å; D691-I695 PolarHBondContact O-N 3.32Å; D691-I695 VanDerWaalsContact O-N 3.16Å; H692-I695 WeakPolarHBondContact O-CB 3.43Å; H692-I695 PolarHBondContact O-N 3.3Å; Q693-I695 VanDerWaalsContact C-N 3.29Å; Q693-I695 PolarHBondContact O-N 3.39Å; I695-A698 CarbonylContact O-C 3.12Å; I695-A698 PolarHBondContact O-N 3.43Å; I695-L699 PolarHBondContact O-N 3.12Å; I695-I700 HydrophobicContact CG2-CB 3.81Å; I695-I700 HydrophobicContact CG2-CG2 4.04Å; I695-I700 VanDerWaalsContact CG2-O 3.23Å; I695-I700 WeakPolarHBondContact CG2-O 3.42Å; I695-I700 PolarHBondContact O-N 3.19Å
696	Q	89.3	Confident	90.3	Very high	96 Å²	96	68.2 Å²	68.2	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-42.2	178.9	-71.6	-172.7	-31.6	0	0	112.6	H692 Q693 A698 L699	H692-Q696 PolarHBondContact NE2-NE2 2.94Å; H692-Q696 WeakPolarHBondContact O-CG 3.49Å; H692-Q696 PolarHBondContact O-N 3.33Å; Q693-Q696 PolarHBondContact O-N 3.04Å; Q693-Q696 VanDerWaalsContact O-N 3.14Å; Q696-A698 PolarHBondContact O-N 3.08Å; Q696-L699 WeakPolarHBondContact O-CA 3.49Å; Q696-L699 PolarHBondContact O-N 2.86Å
697	E	90.3	Very high	90.3	Very high	125 Å²	125	71.8 Å²	71.8	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-31.6	175.2	-72	177	-174.7	0	0	111.6	Q693 L699	Q693-E697 HydrophobicContact CG-CG 4.39Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.27Å; Q693-E697 PolarHBondContact NE2-OE1 3.47Å; Q693-E697 WeakPolarHBondContact O-CG 3.46Å; Q693-E697 PolarHBondContact O-N 3.38Å; E697-L699 PolarHBondContact O-N 2.93Å
698	A	88.1	Confident	90.2	Very high	31 Å²	31	70.1 Å²	70.1	26%	0.256	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.9	171.8	0	0	0	0	0	114.2	L631 L694 I695 Q696 I700	L631-A698 HydrophobicContact CD1-CB 4.12Å; L694-A698 VanDerWaalsContact O-CB 3.28Å; L694-A698 WeakPolarHBondContact O-CB 3.48Å; L694-A698 PolarHBondContact O-N 2.91Å; I695-A698 CarbonylContact O-C 3.12Å; I695-A698 PolarHBondContact O-N 3.43Å; Q696-A698 PolarHBondContact O-N 3.08Å; A698-I700 VanDerWaalsContact C-N 3.3Å; A698-I700 HydrophobicContact CB-CD1 3.77Å; A698-I700 HydrophobicContact CB-CG1 4.09Å; A698-I700 PolarHBondContact O-N 3.04Å
699	L	88.1	Confident	90.1	Very high	134 Å²	134	73.4 Å²	73.4	70%	0.702	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	34.5	-179.5	-55.3	176.1	0	0	0	114.2	I695 Q696 E697 F701	I695-L699 PolarHBondContact O-N 3.12Å; Q696-L699 WeakPolarHBondContact O-CA 3.49Å; Q696-L699 PolarHBondContact O-N 2.86Å; E697-L699 PolarHBondContact O-N 2.93Å; L699-F701 HydrophobicContact CB-CE2 4.4Å; L699-F701 HydrophobicContact CD2-CZ 4.42Å; L699-F701 WeakPolarHBondContact O-CE2 3.3Å
700	I	88.2	Confident	90	Very high	5 Å²	5	70.5 Å²	70.5	3%	0.026	36%	0.357	C	S	.	.			trans	-99.9	122.3	177.6	-56.3	161.6	0	0	0	108.5	N628 L631 R632 I695 A698 D702	N628-I700 HydrophobicContact CB-CD1 3.42Å; N628-I700 VanDerWaalsContact CB-CD1 3.42Å; N628-I700 HydrophobicContact CB-CG1 4.07Å; L631-I700 HydrophobicContact CD1-CD1 4.4Å; R632-I700 HydrophobicContact CG-CG2 3.84Å; R632-I700 VanDerWaalsContact NE-CG2 3.27Å; I695-I700 HydrophobicContact CG2-CB 3.81Å; I695-I700 HydrophobicContact CG2-CG2 4.04Å; I695-I700 VanDerWaalsContact CG2-O 3.23Å; I695-I700 WeakPolarHBondContact CG2-O 3.42Å; I695-I700 PolarHBondContact O-N 3.19Å; A698-I700 VanDerWaalsContact C-N 3.3Å; A698-I700 HydrophobicContact CB-CD1 3.77Å; A698-I700 HydrophobicContact CB-CG1 4.09Å; A698-I700 PolarHBondContact O-N 3.04Å; I700-D702 WeakPolarHBondContact CG2-O 3.4Å
701	F	86.9	Confident	89.9	Confident	173 Å²	173	74.1 Å²	74.1	76%	0.759	37%	0.366	S	S	*	.			trans	-114.6	-9.3	-177.7	-56.9	-71.5	0	0	0	113.6	L699	L699-F701 HydrophobicContact CB-CE2 4.4Å; L699-F701 HydrophobicContact CD2-CZ 4.42Å; L699-F701 WeakPolarHBondContact O-CE2 3.3Å
702	D	86.4	Confident	89.9	Confident	85 Å²	85	78.5 Å²	78.5	46%	0.455	39%	0.385	S	S	.	.			trans	-113.4	141.5	-179.7	70.7	-61.6	0	0	0	111	R632 I700	R632-D702 WeakPolarHBondContact CD-O 3.4Å; R632-D702 IonicContact CZ-OD1 3.53Å; R632-D702 IonicContact CZ-OD2 2.76Å; R632-D702 PolarHBondContact NE-O 3.34Å; R632-D702 IonicContact NE-OD1 2.63Å; R632-D702 IonicContact NE-OD2 3.09Å; R632-D702 IonicContact NH2-OD1 2.69Å; R632-D702 PolarHBondContact NH2-OD1 3.36Å; R632-D702 IonicContact NH2-OD2 3.56Å; R632-D702 PolarHBondContact NH2-OD2 3.39Å; I700-D702 WeakPolarHBondContact CG2-O 3.4Å
703	N	89.8	Confident	89.9	Confident	36 Å²	36	77 Å²	77	19%	0.193	38%	0.379	C	S	.	.			trans	-139	101	171.3	-166.2	-17	0	0	0	111	R632 F635 H705 T706	R632-N703 PolarHBondContact O-ND2 3.03Å; R632-N703 PolarHBondContact O-OD1 2.86Å; F635-N703 WeakPolarHBondContact CD1-ND2 3.48Å; N703-H705 PolarHBondContact O-N 3.42Å; N703-H705 WeakPolarHBondContact OD1-CB 3.27Å; N703-H705 PolarHBondContact OD1-N 3.04Å; N703-T706 HydrophobicContact CB-CG2 4.43Å
704	K	89.1	Confident	90	Very high	145 Å²	145	75.6 Å²	75.6	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.8	177.4	66.2	-175.7	177.1	-175.2	0	114.9	E629	E629-K704 WeakPolarHBondContact OE1-CE 3.28Å; E629-K704 IonicContact OE1-NZ 2.97Å
705	H	91.3	Very high	90.1	Very high	60 Å²	60	75.1 Å²	75.1	28%	0.278	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-3	-174	-58.3	-70.5	0	0	0	113.7	E629 N640 N703	E629-H705 IonicContact OE1-CD2 2.91Å; E629-H705 IonicContact OE1-CE1 3.86Å; E629-H705 PolarHBondContact OE1-CE1 3.2Å; E629-H705 VanDerWaalsContact OE1-CE1 3.26Å; E629-H705 IonicContact OE1-NE2 3.98Å; E629-H705 PolarHBondContact OE1-NE2 3.34Å; E629-H705 IonicContact OE2-NE2 3.89Å; N640-H705 PolarHBondContact ND2-O 3.41Å; N703-H705 PolarHBondContact O-N 3.42Å; N703-H705 WeakPolarHBondContact OD1-CB 3.27Å; N703-H705 PolarHBondContact OD1-N 3.04Å
706	T	90.8	Very high	90.1	Very high	14 Å²	14	75.2 Å²	75.2	9%	0.086	37%	0.373	C	S	.	.			trans	-153.3	148.3	177.7	-175.5	0	0	0	0	111.7	F635 N640 N703 Y708	F635-T706 HydrophobicContact CD1-CG2 3.99Å; F635-T706 HydrophobicContact CE1-CG2 4Å; N640-T706 VanDerWaalsContact OD1-CB 3.26Å; N640-T706 WeakPolarHBondContact OD1-CB 3.22Å; N640-T706 PolarHBondContact OD1-OG1 2.91Å; N703-T706 HydrophobicContact CB-CG2 4.43Å; T706-Y708 WeakPolarHBondContact CG2-O 3.32Å; T706-Y708 PolarHBondContact OG1-N 3.05Å
707	N	90.4	Very high	90.2	Very high	154 Å²	154	71.3 Å²	71.3	82%	0.824	35%	0.354	S	S	*	.	S	Bend	trans	-91.2	-7.8	169.6	-63.1	-26.3	0	0	0	112
708	Y	90	Very high	90.3	Very high	70 Å²	70	71.2 Å²	71.2	28%	0.275	35%	0.353	S	S	.	.			trans	-86.1	123.7	176.1	-65.9	-76.2	0	0	0	109.5	P644 T706 H712 I713	P644-Y708 HydrophobicContact CG-CE2 4.46Å; T706-Y708 WeakPolarHBondContact CG2-O 3.32Å; T706-Y708 PolarHBondContact OG1-N 3.05Å; Y708-H712 HydrophobicContact CD1-CB 4.38Å; Y708-I713 HydrophobicContact CD1-CD1 4.05Å; Y708-I713 HydrophobicContact CG-CD1 4.2Å
709	T	90.4	Very high	90.3	Very high	69 Å²	69	74.8 Å²	74.8	42%	0.423	37%	0.365	S	S	.	.			trans	-91.4	162.2	167.7	63.3	0	0	0	0	108.5	E711 H712 I713	T709-E711 PolarHBondContact O-N 3.42Å; T709-H712 PolarHBondContact N-ND1 3.21Å; T709-H712 PolarHBondContact O-N 3.37Å; T709-H712 VanDerWaalsContact O-N 3.12Å; T709-H712 PolarHBondContact OG1-N 3.15Å; T709-H712 PolarHBondContact OG1-ND1 3.38Å; T709-I713 PolarHBondContact O-N 3.46Å
710	M	91.1	Very high	90.4	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-33.5	176	-167.6	58.6	-155.7	0	0	111.3	F635 L688 E689 H692 I713 R714	F635-M710 HydrophobicContact CE2-CB 4.3Å; F635-M710 HydrophobicContact CE2-SD 4.04Å; F635-M710 HydrophobicContact CZ-CB 4.14Å; F635-M710 HydrophobicContact CZ-SD 4.41Å; L688-M710 HydrophobicContact CD2-CE 4.39Å; L688-M710 HydrophobicContact CD2-SD 3.81Å; L688-M710 HydrophobicContact CG-SD 3.88Å; E689-M710 HydrophobicContact CB-CE 4.01Å; E689-M710 WeakPolarHBondContact OE2-CE 3.16Å; H692-M710 HydrophobicContact CB-CB 4.37Å; H692-M710 HydrophobicContact CB-CG 4.17Å; H692-M710 HydrophobicContact CB-SD 4.39Å; M710-I713 PolarHBondContact O-N 3.18Å; M710-I713 VanDerWaalsContact O-N 3.16Å; M710-R714 HydrophobicContact CE-CG 3.95Å; M710-R714 HydrophobicContact CG-CG 4.38Å; M710-R714 WeakPolarHBondContact O-CG 3.46Å; M710-R714 PolarHBondContact O-N 3.36Å
711	E	90.3	Very high	90.5	Very high	105 Å²	105	71.5 Å²	71.5	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-42.8	176.8	-160.6	58.4	-155.1	0	0	113	T709 I713 R714 V715	T709-E711 PolarHBondContact O-N 3.42Å; E711-I713 PolarHBondContact O-N 3.26Å; E711-R714 PolarHBondContact O-N 3.27Å; E711-R714 IonicContact OE2-NH1 2.92Å; E711-R714 PolarHBondContact OE2-NH1 3.5Å; E711-V715 WeakPolarHBondContact O-CG2 3.26Å; E711-V715 PolarHBondContact O-N 3.48Å
712	H	90.9	Very high	90.6	Very high	113 Å²	113	66.8 Å²	66.8	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-39.5	173.8	-66	144.4	0	0	0	111.8	Y708 T709 G716	Y708-H712 HydrophobicContact CD1-CB 4.38Å; T709-H712 PolarHBondContact N-ND1 3.21Å; T709-H712 PolarHBondContact O-N 3.37Å; T709-H712 VanDerWaalsContact O-N 3.12Å; T709-H712 PolarHBondContact OG1-N 3.15Å; T709-H712 PolarHBondContact OG1-ND1 3.38Å; H712-G716 PolarHBondContact O-N 3.12Å; H712-G716 VanDerWaalsContact O-N 3.08Å
713	I	92.9	Very high	90.6	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-73.2	-42.2	-179.3	-57.3	-58.1	0	0	0	111.7	I642 I646 I685 L688 Y708 T709 M710 E711 W717	I642-I713 HydrophobicContact CG2-CD1 4.24Å; I642-I713 HydrophobicContact CG2-CG2 3.68Å; I646-I713 HydrophobicContact CD1-CG2 4.07Å; I685-I713 HydrophobicContact CD1-CG2 4.1Å; L688-I713 HydrophobicContact CD2-CB 4.19Å; L688-I713 HydrophobicContact CD2-CG1 3.9Å; L688-I713 HydrophobicContact CD2-CG2 3.88Å; Y708-I713 HydrophobicContact CD1-CD1 4.05Å; Y708-I713 HydrophobicContact CG-CD1 4.2Å; T709-I713 PolarHBondContact O-N 3.46Å; M710-I713 PolarHBondContact O-N 3.18Å; M710-I713 VanDerWaalsContact O-N 3.16Å; E711-I713 PolarHBondContact O-N 3.26Å; I713-W717 WeakPolarHBondContact O-CB 3.46Å; I713-W717 PolarHBondContact O-N 3.45Å
714	R	93.3	Very high	90.4	Very high	74 Å²	74	63 Å²	63	28%	0.279	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-53.7	177.2	-71.4	-177.2	-167.1	140.6	-6	111.4	E689 M710 E711 G716 W717 E718	E689-R714 IonicContact OE1-CZ 2.71Å; E689-R714 IonicContact OE1-NE 3.87Å; E689-R714 IonicContact OE1-NH2 3.26Å; E689-R714 PolarHBondContact OE1-NH2 3.35Å; E689-R714 IonicContact OE2-CZ 2.77Å; E689-R714 IonicContact OE2-NE 2.74Å; E689-R714 PolarHBondContact OE2-NE 3.39Å; E689-R714 IonicContact OE2-NH2 3.82Å; E689-R714 PolarHBondContact OE2-NH2 3.26Å; M710-R714 HydrophobicContact CE-CG 3.95Å; M710-R714 HydrophobicContact CG-CG 4.38Å; M710-R714 WeakPolarHBondContact O-CG 3.46Å; M710-R714 PolarHBondContact O-N 3.36Å; E711-R714 PolarHBondContact O-N 3.27Å; E711-R714 IonicContact OE2-NH1 2.92Å; E711-R714 PolarHBondContact OE2-NH1 3.5Å; R714-G716 VanDerWaalsContact C-N 3.35Å; R714-G716 PolarHBondContact O-N 3.34Å; R714-W717 PolarHBondContact O-N 3.37Å; R714-E718 WeakPolarHBondContact O-CG 3.48Å; R714-E718 PolarHBondContact O-N 3.29Å
715	V	93	Very high	90.3	Very high	73 Å²	73	58.7 Å²	58.7	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-46.7	179.9	175	0	0	0	0	110.6	E711 W717 E718 Q719	E711-V715 WeakPolarHBondContact O-CG2 3.26Å; E711-V715 PolarHBondContact O-N 3.48Å; V715-W717 VanDerWaalsContact C-N 3.32Å; V715-W717 PolarHBondContact O-N 3.2Å; V715-E718 PolarHBondContact O-N 3.29Å; V715-Q719 VanDerWaalsContact O-CB 3.23Å; V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.41Å
716	G	90.6	Very high	89.9	Confident	13 Å²	13	62.6 Å²	62.6	13%	0.134	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-41.6	177.6	0	0	0	0	0	112.8	I646 M650 H712 R714 L720	I646-G716 WeakPolarHBondContact CG2-O 3.34Å; M650-G716 WeakPolarHBondContact CE-O 3.41Å; H712-G716 PolarHBondContact O-N 3.12Å; H712-G716 VanDerWaalsContact O-N 3.08Å; R714-G716 VanDerWaalsContact C-N 3.35Å; R714-G716 PolarHBondContact O-N 3.34Å; G716-L720 WeakPolarHBondContact O-CB 3.48Å; G716-L720 PolarHBondContact O-N 2.84Å
717	W	93.1	Very high	89.5	Confident	13 Å²	13	62.5 Å²	62.5	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-44.9	179.8	-177.5	-98.5	0	0	0	112.9	W645 I646 I678 Y681 K682 I685 I713 R714 V715 L720 L721	W645-W717 HydrophobicContact CE3-CZ3 4.21Å; W645-W717 HydrophobicContact CH2-CH2 4.47Å; W645-W717 HydrophobicContact CH2-CZ3 4.09Å; W645-W717 HydrophobicContact CZ3-CE3 4.25Å; W645-W717 HydrophobicContact CZ3-CH2 4.23Å; W645-W717 AromaticContact CZ3-CZ3 3.43Å; W645-W717 HydrophobicContact CZ3-CZ3 3.43Å; W645-W717 VanDerWaalsContact CZ3-CZ3 3.43Å; I646-W717 HydrophobicContact CD1-CB 4.11Å; I646-W717 HydrophobicContact CD1-CE3 4.15Å; I646-W717 HydrophobicContact CG1-CE3 4.06Å; I678-W717 HydrophobicContact CG2-CH2 3.65Å; I678-W717 HydrophobicContact CG2-CZ2 3.74Å; I678-W717 HydrophobicContact CG2-CZ3 4.33Å; I678-W717 VanDerWaalsContact O-CH2 3.23Å; I678-W717 WeakPolarHBondContact O-CH2 3.4Å; Y681-W717 HydrophobicContact CD1-CH2 4.47Å; Y681-W717 HydrophobicContact CD1-CZ3 4.06Å; K682-W717 HydrophobicContact CB-CZ2 4.15Å; K682-W717 HydrophobicContact CD-CZ2 4.06Å; I685-W717 HydrophobicContact CD1-CD2 4.08Å; I685-W717 HydrophobicContact CD1-CE3 3.64Å; I685-W717 HydrophobicContact CD1-CZ3 3.98Å; I685-W717 HydrophobicContact CG1-CD2 3.7Å; I685-W717 HydrophobicContact CG1-CE3 3.61Å; I685-W717 HydrophobicContact CG1-CG 4.31Å; I685-W717 HydrophobicContact CG1-CH2 4.03Å; I685-W717 HydrophobicContact CG1-CZ2 4.15Å; I685-W717 HydrophobicContact CG1-CZ3 3.75Å; I713-W717 WeakPolarHBondContact O-CB 3.46Å; I713-W717 PolarHBondContact O-N 3.45Å; R714-W717 PolarHBondContact O-N 3.37Å; V715-W717 VanDerWaalsContact C-N 3.32Å; V715-W717 PolarHBondContact O-N 3.2Å; W717-L720 HydrophobicContact CE3-CD2 4.47Å; W717-L720 WeakPolarHBondContact O-CB 3.23Å; W717-L720 PolarHBondContact O-N 3.44Å; W717-L721 PolarHBondContact O-N 3Å
718	E	91.1	Very high	89.2	Confident	123 Å²	123	55.4 Å²	55.4	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-65.3	-40	177.7	-72.1	179.5	178.2	0	0	111.9	R714 V715 L720 L721 T722	R714-E718 WeakPolarHBondContact O-CG 3.48Å; R714-E718 PolarHBondContact O-N 3.29Å; V715-E718 PolarHBondContact O-N 3.29Å; E718-L720 VanDerWaalsContact C-N 3.35Å; E718-L721 PolarHBondContact O-N 2.96Å; E718-T722 WeakPolarHBondContact O-CB 3.41Å; E718-T722 PolarHBondContact O-N 2.89Å; E718-T722 PolarHBondContact O-OG1 3.27Å
719	Q	89.6	Confident	88.9	Confident	106 Å²	106	56 Å²	56	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-40.9	173.8	-176.1	174.1	9.3	0	0	111.3	M650 V715 T722 T723	M650-Q719 HydrophobicContact CE-CB 3.68Å; M650-Q719 HydrophobicContact CE-CG 3.74Å; M650-Q719 HydrophobicContact SD-CG 4.31Å; V715-Q719 VanDerWaalsContact O-CB 3.23Å; V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.41Å; Q719-T722 PolarHBondContact O-N 3.17Å; Q719-T723 VanDerWaalsContact O-CB 3.31Å; Q719-T723 WeakPolarHBondContact O-CB 3.35Å; Q719-T723 PolarHBondContact O-N 3.38Å; Q719-T723 PolarHBondContact O-OG1 3.16Å
720	L	90.3	Very high	88.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-45.6	175.9	177.7	65.7	0	0	0	111.4	W645 I646 K649 M650 I653 I678 G716 W717 E718 T723 I724	W645-L720 HydrophobicContact CZ3-CD2 3.88Å; I646-L720 HydrophobicContact CG2-CB 4.38Å; I646-L720 HydrophobicContact CG2-CD2 4.35Å; K649-L720 HydrophobicContact CB-CD1 3.92Å; K649-L720 HydrophobicContact CB-CD2 4.03Å; M650-L720 HydrophobicContact CB-CD1 4.38Å; M650-L720 HydrophobicContact CE-CB 4.16Å; M650-L720 HydrophobicContact CG-CB 4.23Å; M650-L720 HydrophobicContact CG-CD1 3.67Å; I653-L720 HydrophobicContact CD1-CD1 3.46Å; I653-L720 VanDerWaalsContact CD1-CD1 3.46Å; I678-L720 HydrophobicContact CD1-CD1 4.15Å; I678-L720 HydrophobicContact CD1-CD2 4.08Å; I678-L720 HydrophobicContact CD1-CG 3.9Å; I678-L720 HydrophobicContact CG1-CD2 4.1Å; I678-L720 HydrophobicContact CG1-CG 4.46Å; G716-L720 WeakPolarHBondContact O-CB 3.48Å; G716-L720 PolarHBondContact O-N 2.84Å; W717-L720 HydrophobicContact CE3-CD2 4.47Å; W717-L720 WeakPolarHBondContact O-CB 3.23Å; W717-L720 PolarHBondContact O-N 3.44Å; E718-L720 VanDerWaalsContact C-N 3.35Å; L720-T723 PolarHBondContact O-N 3.22Å; L720-I724 PolarHBondContact O-N 2.9Å
721	L	90	Very high	87.8	Confident	70 Å²	70	57.4 Å²	57.4	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-44.4	176.1	-74.8	173	0	0	0	112.3	I678 W717 E718 T723 I724 A725	I678-L721 HydrophobicContact CG2-CD2 3.68Å; I678-L721 HydrophobicContact CG2-CG 4.5Å; W717-L721 PolarHBondContact O-N 3Å; E718-L721 PolarHBondContact O-N 2.96Å; L721-T723 VanDerWaalsContact C-N 3.33Å; L721-I724 VanDerWaalsContact O-CG2 3.31Å; L721-I724 WeakPolarHBondContact O-CG2 3.37Å; L721-A725 WeakPolarHBondContact O-CB 3.44Å; L721-A725 PolarHBondContact O-N 2.63Å; L721-A725 VanDerWaalsContact O-N 3.11Å
722	T	87.8	Confident	87.3	Confident	74 Å²	74	55.3 Å²	55.3	45%	0.454	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-39.3	178.9	-55.5	0	0	0	0	111.3	E718 Q719 R726	E718-T722 WeakPolarHBondContact O-CB 3.41Å; E718-T722 PolarHBondContact O-N 2.89Å; E718-T722 PolarHBondContact O-OG1 3.27Å; Q719-T722 PolarHBondContact O-N 3.17Å; T722-R726 VanDerWaalsContact O-CB 3.3Å; T722-R726 WeakPolarHBondContact O-CB 3.46Å; T722-R726 PolarHBondContact O-N 3.04Å
723	T	86.6	Confident	86.5	Confident	39 Å²	39	53.7 Å²	53.7	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-49.1	-179	-56.4	0	0	0	0	110.3	I653 Q719 L720 L721 A725 R726 T727	I653-T723 HydrophobicContact CG2-CG2 4.21Å; Q719-T723 VanDerWaalsContact O-CB 3.31Å; Q719-T723 WeakPolarHBondContact O-CB 3.35Å; Q719-T723 PolarHBondContact O-N 3.38Å; Q719-T723 PolarHBondContact O-OG1 3.16Å; L720-T723 PolarHBondContact O-N 3.22Å; L721-T723 VanDerWaalsContact C-N 3.33Å; T723-A725 PolarHBondContact O-N 3.36Å; T723-R726 PolarHBondContact O-N 3.23Å; T723-T727 PolarHBondContact O-N 3.11Å; T723-T727 PolarHBondContact O-OG1 3.37Å
724	I	86.6	Confident	85.4	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-40.3	179.2	-163.6	161.5	0	0	0	112.8	I653 E675 I678 L720 L721 R726 T727 I728	I653-I724 HydrophobicContact CD1-CB 3.91Å; I653-I724 HydrophobicContact CD1-CD1 4.01Å; I653-I724 HydrophobicContact CD1-CG1 4.22Å; I653-I724 HydrophobicContact CG1-CD1 4.32Å; E675-I724 HydrophobicContact CB-CD1 3.91Å; I678-I724 HydrophobicContact CD1-CB 4.39Å; I678-I724 HydrophobicContact CD1-CD1 3.65Å; I678-I724 HydrophobicContact CD1-CG2 4.13Å; L720-I724 PolarHBondContact O-N 2.9Å; L721-I724 VanDerWaalsContact O-CG2 3.31Å; L721-I724 WeakPolarHBondContact O-CG2 3.37Å; I724-R726 PolarHBondContact O-N 3.27Å; I724-T727 PolarHBondContact O-N 3.46Å; I724-I728 HydrophobicContact CG1-CD1 3.96Å; I724-I728 HydrophobicContact CG1-CG1 4.43Å; I724-I728 WeakPolarHBondContact O-CB 3.35Å; I724-I728 VanDerWaalsContact O-CG1 3.25Å; I724-I728 WeakPolarHBondContact O-CG1 3.23Å; I724-I728 PolarHBondContact O-N 3.35Å
725	A	85.8	Confident	84.4	Confident	53 Å²	53	53.6 Å²	53.6	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.2	0	0	0	0	0	112	L721 T723 N729	L721-A725 WeakPolarHBondContact O-CB 3.44Å; L721-A725 PolarHBondContact O-N 2.63Å; L721-A725 VanDerWaalsContact O-N 3.11Å; T723-A725 PolarHBondContact O-N 3.36Å; A725-N729 WeakPolarHBondContact O-CB 3.3Å; A725-N729 PolarHBondContact O-N 3.36Å
726	R	84.2	Confident	83.4	Confident	143 Å²	143	55.4 Å²	55.4	54%	0.54	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-50	176.7	-170.7	-170.5	-53.4	165.4	4.7	111.4	T722 T723 I724 I728 N729 E730	T722-R726 VanDerWaalsContact O-CB 3.3Å; T722-R726 WeakPolarHBondContact O-CB 3.46Å; T722-R726 PolarHBondContact O-N 3.04Å; T723-R726 PolarHBondContact O-N 3.23Å; I724-R726 PolarHBondContact O-N 3.27Å; R726-I728 VanDerWaalsContact C-N 3.32Å; R726-I728 PolarHBondContact O-N 2.87Å; R726-N729 PolarHBondContact O-N 3.39Å; R726-N729 VanDerWaalsContact O-N 3.16Å; R726-E730 WeakPolarHBondContact CD-OE1 3.46Å; R726-E730 WeakPolarHBondContact CG-OE1 3.45Å; R726-E730 WeakPolarHBondContact O-CG 3.31Å; R726-E730 PolarHBondContact O-N 3.44Å
727	T	82.4	Confident	82.3	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-37.3	-179.3	-50.3	0	0	0	0	111.9	S657 L671 T723 I724 V731	S657-T727 VanDerWaalsContact OG-CG2 3.3Å; S657-T727 WeakPolarHBondContact OG-CG2 3.41Å; L671-T727 HydrophobicContact CD1-CG2 3.83Å; L671-T727 HydrophobicContact CD2-CG2 4.16Å; T723-T727 PolarHBondContact O-N 3.11Å; T723-T727 PolarHBondContact O-OG1 3.37Å; I724-T727 PolarHBondContact O-N 3.46Å; T727-V731 WeakPolarHBondContact O-CG2 3.41Å; T727-V731 PolarHBondContact O-N 2.99Å; T727-V731 VanDerWaalsContact O-N 3.14Å
728	I	84.1	Confident	81.2	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-49.6	172.1	-74.3	170.9	0	0	0	110.8	L668 L671 E675 I724 R726 E730 V731 E732	L668-I728 HydrophobicContact CD1-CG2 3.92Å; L671-I728 HydrophobicContact CB-CD1 4.22Å; L671-I728 HydrophobicContact CB-CG1 3.64Å; L671-I728 HydrophobicContact CD1-CG1 4.23Å; L671-I728 HydrophobicContact CG-CG1 4.47Å; E675-I728 HydrophobicContact CB-CD1 4.21Å; I724-I728 HydrophobicContact CG1-CD1 3.96Å; I724-I728 HydrophobicContact CG1-CG1 4.43Å; I724-I728 WeakPolarHBondContact O-CB 3.35Å; I724-I728 VanDerWaalsContact O-CG1 3.25Å; I724-I728 WeakPolarHBondContact O-CG1 3.23Å; I724-I728 PolarHBondContact O-N 3.35Å; R726-I728 VanDerWaalsContact C-N 3.32Å; R726-I728 PolarHBondContact O-N 2.87Å; I728-E730 VanDerWaalsContact C-N 3.34Å; I728-E730 PolarHBondContact O-N 3.04Å; I728-V731 PolarHBondContact O-N 3.03Å; I728-E732 HydrophobicContact CG2-CG 4.37Å; I728-E732 WeakPolarHBondContact O-CG 3.26Å; I728-E732 PolarHBondContact O-N 2.66Å
729	N	82.4	Confident	80.2	Confident	83 Å²	83	55.1 Å²	55.1	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-40.3	-178.8	-170	-65.5	0	0	0	112.1	A725 R726 V731 E732 N733	A725-N729 WeakPolarHBondContact O-CB 3.3Å; A725-N729 PolarHBondContact O-N 3.36Å; R726-N729 PolarHBondContact O-N 3.39Å; R726-N729 VanDerWaalsContact O-N 3.16Å; N729-V731 PolarHBondContact O-N 3.47Å; N729-E732 PolarHBondContact O-N 3.36Å; N729-N733 PolarHBondContact O-N 3.47Å; N729-N733 PolarHBondContact O-ND2 3.34Å; N729-N733 PolarHBondContact OD1-ND2 3.02Å
730	E	79.9	Confident	79.1	Confident	91 Å²	91	54.3 Å²	54.3	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-45.5	174.8	-76	168.3	-175.3	0	0	111.6	R726 I728 Q734	R726-E730 WeakPolarHBondContact CD-OE1 3.46Å; R726-E730 WeakPolarHBondContact CG-OE1 3.45Å; R726-E730 WeakPolarHBondContact O-CG 3.31Å; R726-E730 PolarHBondContact O-N 3.44Å; I728-E730 VanDerWaalsContact C-N 3.34Å; I728-E730 PolarHBondContact O-N 3.04Å; E730-Q734 VanDerWaalsContact O-CG 3.25Å; E730-Q734 WeakPolarHBondContact O-CG 3.37Å; E730-Q734 PolarHBondContact O-N 2.77Å
731	V	78.7	Confident	77.9	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-39.3	176.4	175.3	0	0	0	0	111.4	L664 L668 L671 T727 I728 N729 Q734 I735	L664-V731 HydrophobicContact CD2-CG1 4.32Å; L668-V731 HydrophobicContact CB-CG1 4.07Å; L668-V731 HydrophobicContact CD1-CG1 4.45Å; L671-V731 HydrophobicContact CD1-CG2 4.11Å; T727-V731 WeakPolarHBondContact O-CG2 3.41Å; T727-V731 PolarHBondContact O-N 2.99Å; T727-V731 VanDerWaalsContact O-N 3.14Å; I728-V731 PolarHBondContact O-N 3.03Å; N729-V731 PolarHBondContact O-N 3.47Å; V731-Q734 PolarHBondContact O-N 3.29Å; V731-I735 HydrophobicContact CG1-CD1 4.43Å; V731-I735 WeakPolarHBondContact O-CG1 3.32Å; V731-I735 PolarHBondContact O-N 3.36Å
732	E	79.8	Confident	76.5	Confident	62 Å²	62	58.2 Å²	58.2	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-42.6	177.3	-74.5	176.3	163.6	0	0	112.9	L668 R672 I728 N729 Q734 I735 L736	L668-E732 HydrophobicContact CD1-CG 3.88Å; L668-E732 HydrophobicContact CD2-CG 4.16Å; R672-E732 IonicContact CZ-OE1 3.97Å; R672-E732 IonicContact NH2-OE1 3.85Å; R672-E732 PolarHBondContact NH2-OE1 3.2Å; R672-E732 IonicContact NH2-OE2 3.39Å; I728-E732 HydrophobicContact CG2-CG 4.37Å; I728-E732 WeakPolarHBondContact O-CG 3.26Å; I728-E732 PolarHBondContact O-N 2.66Å; N729-E732 PolarHBondContact O-N 3.36Å; E732-Q734 VanDerWaalsContact C-N 3.31Å; E732-Q734 PolarHBondContact O-N 3.34Å; E732-I735 WeakPolarHBondContact O-CB 3.31Å; E732-I735 PolarHBondContact O-N 3.39Å; E732-L736 PolarHBondContact O-N 3.4Å; E732-L736 VanDerWaalsContact O-N 3.09Å
733	N	75.8	Confident	75.5	Confident	79 Å²	79	55.9 Å²	55.9	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-37.4	175.7	-73.8	-28.7	0	0	0	111.9	N729 I735 L736 T737	N729-N733 PolarHBondContact O-N 3.47Å; N729-N733 PolarHBondContact O-ND2 3.34Å; N729-N733 PolarHBondContact OD1-ND2 3.02Å; N733-I735 VanDerWaalsContact C-N 3.27Å; N733-I735 PolarHBondContact O-N 3.5Å; N733-L736 PolarHBondContact O-N 3.03Å; N733-T737 PolarHBondContact O-N 3.43Å; N733-T737 PolarHBondContact O-OG1 3.45Å
734	Q	69.8	Low	74.6	Confident	44 Å²	44	56.5 Å²	56.5	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-35.3	175.2	-71.1	171.5	20.8	0	0	112.2	L664 E730 V731 E732 R738	L664-Q734 HydrophobicContact CD1-CB 4.23Å; E730-Q734 VanDerWaalsContact O-CG 3.25Å; E730-Q734 WeakPolarHBondContact O-CG 3.37Å; E730-Q734 PolarHBondContact O-N 2.77Å; V731-Q734 PolarHBondContact O-N 3.29Å; E732-Q734 VanDerWaalsContact C-N 3.31Å; E732-Q734 PolarHBondContact O-N 3.34Å; Q734-R738 PolarHBondContact O-N 3.2Å
735	I	71.4	Confident	73.6	Confident	29 Å²	29	60 Å²	60	15%	0.149	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-45.2	174.3	-65.9	168.6	0	0	0	110.5	L664 L668 V731 E732 N733 T737 R738 D739	L664-I735 HydrophobicContact CB-CD1 4.07Å; L664-I735 HydrophobicContact CB-CG1 3.75Å; L664-I735 HydrophobicContact CD1-CG1 3.94Å; L664-I735 HydrophobicContact CG-CG1 4.45Å; L668-I735 HydrophobicContact CD2-CD1 4.07Å; V731-I735 HydrophobicContact CG1-CD1 4.43Å; V731-I735 WeakPolarHBondContact O-CG1 3.32Å; V731-I735 PolarHBondContact O-N 3.36Å; E732-I735 WeakPolarHBondContact O-CB 3.31Å; E732-I735 PolarHBondContact O-N 3.39Å; N733-I735 VanDerWaalsContact C-N 3.27Å; N733-I735 PolarHBondContact O-N 3.5Å; I735-T737 PolarHBondContact O-N 3.41Å; I735-R738 WeakPolarHBondContact O-CB 3.35Å; I735-R738 PolarHBondContact O-N 3.18Å; I735-D739 PolarHBondContact O-N 3.35Å
736	L	72.8	Confident	72.7	Confident	111 Å²	111	65 Å²	65	58%	0.581	35%	0.35	S	S	*	.	H	α-helix	trans	-61.4	-43.7	-179.9	-85.3	153.3	0	0	0	113.6	E732 N733 R738 D739 A740	E732-L736 PolarHBondContact O-N 3.4Å; E732-L736 VanDerWaalsContact O-N 3.09Å; N733-L736 PolarHBondContact O-N 3.03Å; L736-R738 VanDerWaalsContact C-N 3.35Å; L736-R738 PolarHBondContact O-N 3.08Å; L736-D739 PolarHBondContact O-N 2.96Å; L736-A740 WeakPolarHBondContact O-CB 3.34Å; L736-A740 PolarHBondContact O-N 2.75Å
737	T	66.8	Low	71.8	Confident	20 Å²	20	62.6 Å²	62.6	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-41.8	179.1	-62	0	0	0	0	112	N733 I735 D739 K741 Q832 I835	N733-T737 PolarHBondContact O-N 3.43Å; N733-T737 PolarHBondContact O-OG1 3.45Å; I735-T737 PolarHBondContact O-N 3.41Å; T737-D739 VanDerWaalsContact C-N 3.28Å; T737-D739 PolarHBondContact O-N 3.34Å; T737-K741 PolarHBondContact O-N 2.84Å; T737-Q832 PolarHBondContact OG1-NE2 3.22Å; T737-Q832 PolarHBondContact OG1-OE1 2.97Å; T737-I835 HydrophobicContact CG2-CG2 4.01Å
738	R	68.8	Low	71.1	Confident	25 Å²	25	62.1 Å²	62.1	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-55.4	-47.3	176	-177.1	-162.9	66.8	-166.9	-10.7	110.4	E665 Q734 I735 L736 I743 M748	E665-R738 IonicContact OE1-CZ 3.61Å; E665-R738 IonicContact OE1-NH1 2.89Å; E665-R738 PolarHBondContact OE1-NH1 3.26Å; E665-R738 IonicContact OE1-NH2 3.39Å; E665-R738 PolarHBondContact OE1-NH2 2.83Å; E665-R738 IonicContact OE2-NH1 3.96Å; Q734-R738 PolarHBondContact O-N 3.2Å; I735-R738 WeakPolarHBondContact O-CB 3.35Å; I735-R738 PolarHBondContact O-N 3.18Å; L736-R738 VanDerWaalsContact C-N 3.35Å; L736-R738 PolarHBondContact O-N 3.08Å; R738-I743 PolarHBondContact O-N 3.05Å; R738-M748 HydrophobicContact CB-CE 4.24Å; R738-M748 HydrophobicContact CG-CG 4.42Å
739	D	70.1	Confident	70.4	Confident	98 Å²	98	66 Å²	66	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-75.6	-38.7	-172.7	-66	-6.2	0	0	0	112.8	I735 L736 T737 K741	I735-D739 PolarHBondContact O-N 3.35Å; L736-D739 PolarHBondContact O-N 2.96Å; T737-D739 VanDerWaalsContact C-N 3.28Å; T737-D739 PolarHBondContact O-N 3.34Å; D739-K741 PolarHBondContact O-N 2.67Å
740	A	66.6	Low	69.8	Low	90 Å²	90	68.3 Å²	68.3	74%	0.744	37%	0.37	S	S	*	.	H	α-helix	trans	-71	-31.3	-176.3	0	0	0	0	0	114.2	L736	L736-A740 WeakPolarHBondContact O-CB 3.34Å; L736-A740 PolarHBondContact O-N 2.75Å
741	K	64.8	Low	69.4	Low	85 Å²	85	66.2 Å²	66.2	37%	0.37	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	2.5	-177.1	-67.7	-172.2	171.6	-169.4	0	113.9	T737 D739 I743 D836 S839	T737-K741 PolarHBondContact O-N 2.84Å; D739-K741 PolarHBondContact O-N 2.67Å; K741-I743 HydrophobicContact CB-CD1 3.91Å; K741-I743 HydrophobicContact CB-CG1 3.85Å; K741-I743 HydrophobicContact CD-CD1 4.47Å; K741-I743 PolarHBondContact O-N 3.06Å; K741-D836 WeakPolarHBondContact CE-OD1 3.3Å; K741-D836 IonicContact NZ-OD1 2.58Å; K741-D836 PolarHBondContact NZ-OD1 3.27Å; K741-S839 PolarHBondContact NZ-OG 2.86Å
742	G	60.9	Low	69.1	Low	67 Å²	67	67.3 Å²	67.3	69%	0.691	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	28.3	-179.7	0	0	0	0	0	113.7
743	I	68.5	Low	68.6	Low	25 Å²	25	67.3 Å²	67.3	13%	0.128	37%	0.374	C	S	.	.			trans	-77.8	124.3	-178.8	-58.4	171.8	0	0	0	108.2	R738 K741 Q747 M748 F751 I835	R738-I743 PolarHBondContact O-N 3.05Å; K741-I743 HydrophobicContact CB-CD1 3.91Å; K741-I743 HydrophobicContact CB-CG1 3.85Å; K741-I743 HydrophobicContact CD-CD1 4.47Å; K741-I743 PolarHBondContact O-N 3.06Å; I743-Q747 HydrophobicContact CG2-CB 3.8Å; I743-M748 HydrophobicContact CG2-CB 4.12Å; I743-F751 HydrophobicContact CG2-CD2 4.41Å; I743-F751 HydrophobicContact CG2-CE2 4.25Å; I743-I835 HydrophobicContact CD1-CG2 3.64Å
744	S	67.6	Low	68.3	Low	52 Å²	52	65.8 Å²	65.8	36%	0.364	37%	0.37	S	S	.	.			trans	-66.6	152.5	177.8	66.6	0	0	0	0	111.8	E746 Q747 M748	S744-E746 PolarHBondContact O-N 3.41Å; S744-E746 VanDerWaalsContact O-N 3.17Å; S744-Q747 PolarHBondContact O-N 3.24Å; S744-Q747 VanDerWaalsContact O-N 3.09Å; S744-Q747 WeakPolarHBondContact OG-CB 3.31Å; S744-Q747 WeakPolarHBondContact OG-CG 3.02Å; S744-Q747 PolarHBondContact OG-N 2.96Å; S744-Q747 PolarHBondContact OG-OE1 3.35Å; S744-M748 PolarHBondContact O-N 3.25Å
745	Q	65.1	Low	68.4	Low	78 Å²	78	63.9 Å²	63.9	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-31.4	179	-162.8	82.7	16.2	0	0	112	N749	Q745-N749 VanDerWaalsContact O-CB 3.32Å; Q745-N749 WeakPolarHBondContact O-CB 3.44Å; Q745-N749 PolarHBondContact O-N 3.29Å; Q745-N749 PolarHBondContact O-ND2 3.24Å
746	E	66.3	Low	68.4	Low	158 Å²	158	66.7 Å²	66.7	74%	0.738	38%	0.376	S	S	*	.	H	α-helix	trans	-70.4	-44.5	175.3	-68.9	-179.8	174.7	0	0	112	S744 M748 N749 E750	S744-E746 PolarHBondContact O-N 3.41Å; S744-E746 VanDerWaalsContact O-N 3.17Å; E746-M748 PolarHBondContact O-N 3.05Å; E746-N749 PolarHBondContact O-N 3.06Å; E746-E750 PolarHBondContact O-N 3.46Å
747	Q	65.9	Low	68.4	Low	91 Å²	91	68 Å²	68	43%	0.425	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-37.7	174.8	-77	173	-50.5	0	0	112.5	I743 S744 N749 E750 F751	I743-Q747 HydrophobicContact CG2-CB 3.8Å; S744-Q747 PolarHBondContact O-N 3.24Å; S744-Q747 VanDerWaalsContact O-N 3.09Å; S744-Q747 WeakPolarHBondContact OG-CB 3.31Å; S744-Q747 WeakPolarHBondContact OG-CG 3.02Å; S744-Q747 PolarHBondContact OG-N 2.96Å; S744-Q747 PolarHBondContact OG-OE1 3.35Å; Q747-N749 VanDerWaalsContact C-N 3.33Å; Q747-E750 PolarHBondContact O-N 3.44Å; Q747-F751 HydrophobicContact CB-CE2 4.43Å; Q747-F751 VanDerWaalsContact O-CD2 3.23Å; Q747-F751 WeakPolarHBondContact O-CD2 3.46Å; Q747-F751 WeakPolarHBondContact O-CG 3.42Å; Q747-F751 PolarHBondContact O-N 2.92Å
748	M	67.4	Low	68.7	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-65.4	-40.2	175.1	-169.2	63.8	159.2	0	0	110.9	R738 I743 S744 E746 R752 F831 I835	R738-M748 HydrophobicContact CB-CE 4.24Å; R738-M748 HydrophobicContact CG-CG 4.42Å; I743-M748 HydrophobicContact CG2-CB 4.12Å; S744-M748 PolarHBondContact O-N 3.25Å; E746-M748 PolarHBondContact O-N 3.05Å; M748-R752 WeakPolarHBondContact O-CB 3.37Å; M748-R752 PolarHBondContact O-N 3.05Å; M748-F831 HydrophobicContact CE-CE1 4Å; M748-F831 HydrophobicContact SD-CE1 4.49Å; M748-I835 HydrophobicContact CE-CD1 3.46Å; M748-I835 VanDerWaalsContact CE-CD1 3.46Å; M748-I835 HydrophobicContact SD-CD1 3.44Å; M748-I835 WeakPolarHBondContact SD-CD1 3.15Å
749	N	68.9	Low	68.9	Low	87 Å²	87	68.5 Å²	68.5	47%	0.465	38%	0.38	S	S	.	.	H	α-helix	trans	-67.4	-34.8	174.2	-75.5	-15.6	0	0	0	112.3	Q745 E746 Q747 A753	Q745-N749 VanDerWaalsContact O-CB 3.32Å; Q745-N749 WeakPolarHBondContact O-CB 3.44Å; Q745-N749 PolarHBondContact O-N 3.29Å; Q745-N749 PolarHBondContact O-ND2 3.24Å; E746-N749 PolarHBondContact O-N 3.06Å; Q747-N749 VanDerWaalsContact C-N 3.33Å; N749-A753 WeakPolarHBondContact O-CB 3.5Å; N749-A753 PolarHBondContact O-N 3.16Å
750	E	70.2	Confident	68.8	Low	131 Å²	131	73.8 Å²	73.8	61%	0.612	39%	0.393	S	S	*	.	H	α-helix	trans	-66	-50.9	172.2	-82.5	-172.7	156	0	0	111.8	E746 Q747 R752 A753 S754	E746-E750 PolarHBondContact O-N 3.46Å; Q747-E750 PolarHBondContact O-N 3.44Å; E750-R752 PolarHBondContact O-N 3.47Å; E750-A753 PolarHBondContact O-N 2.92Å; E750-A753 VanDerWaalsContact O-N 3.17Å; E750-S754 WeakPolarHBondContact O-CB 3.48Å; E750-S754 PolarHBondContact O-N 3.4Å; E750-S754 PolarHBondContact O-OG 2.97Å
751	F	71.6	Confident	68.9	Low	47 Å²	47	74.7 Å²	74.7	21%	0.206	39%	0.385	C	S	.	.	H	α-helix	trans	-57.6	-37	176.2	-66.6	-38	0	0	0	111.7	I743 Q747 F755 F834 M838	I743-F751 HydrophobicContact CG2-CD2 4.41Å; I743-F751 HydrophobicContact CG2-CE2 4.25Å; Q747-F751 HydrophobicContact CB-CE2 4.43Å; Q747-F751 VanDerWaalsContact O-CD2 3.23Å; Q747-F751 WeakPolarHBondContact O-CD2 3.46Å; Q747-F751 WeakPolarHBondContact O-CG 3.42Å; Q747-F751 PolarHBondContact O-N 2.92Å; F751-F755 WeakPolarHBondContact O-CB 3.22Å; F751-F755 PolarHBondContact O-N 2.96Å; F751-F834 HydrophobicContact CB-CE1 4.37Å; F751-M838 HydrophobicContact CE1-CE 4.36Å
752	R	71.1	Confident	68.8	Low	32 Å²	32	77.1 Å²	77.1	12%	0.121	40%	0.398	C	S	.	.	H	α-helix	trans	-73	-41	177.3	-157.3	176.3	-143.9	131.4	11.3	113	M660 M748 E750 S754 F755 N756 F831	M660-R752 VanDerWaalsContact CE-NH2 3.31Å; M748-R752 WeakPolarHBondContact O-CB 3.37Å; M748-R752 PolarHBondContact O-N 3.05Å; E750-R752 PolarHBondContact O-N 3.47Å; R752-S754 VanDerWaalsContact C-N 3.3Å; R752-F755 PolarHBondContact O-N 2.98Å; R752-N756 WeakPolarHBondContact O-CB 3.47Å; R752-N756 PolarHBondContact O-N 3.39Å; R752-F831 HydrophobicContact CB-CE2 4.16Å; R752-F831 HydrophobicContact CB-CZ 3.67Å; R752-F831 HydrophobicContact CG-CE1 4.27Å; R752-F831 HydrophobicContact CG-CE2 4.28Å; R752-F831 HydrophobicContact CG-CZ 3.79Å
753	A	70.1	Confident	69.1	Low	63 Å²	63	76.9 Å²	76.9	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-39.8	174.3	0	0	0	0	0	110.8	N749 E750 H757	N749-A753 WeakPolarHBondContact O-CB 3.5Å; N749-A753 PolarHBondContact O-N 3.16Å; E750-A753 PolarHBondContact O-N 2.92Å; E750-A753 VanDerWaalsContact O-N 3.17Å; A753-H757 VanDerWaalsContact O-CB 3.23Å; A753-H757 WeakPolarHBondContact O-CB 3.49Å; A753-H757 PolarHBondContact O-N 3.49Å
754	S	69.9	Low	69	Low	47 Å²	47	77.8 Å²	77.8	33%	0.329	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-47.7	172.9	-64.2	0	0	0	0	111.6	E750 R752 H757 F758	E750-S754 WeakPolarHBondContact O-CB 3.48Å; E750-S754 PolarHBondContact O-N 3.4Å; E750-S754 PolarHBondContact O-OG 2.97Å; R752-S754 VanDerWaalsContact C-N 3.3Å; S754-H757 PolarHBondContact O-N 3.47Å; S754-F758 WeakPolarHBondContact O-CD2 3.16Å; S754-F758 PolarHBondContact O-N 3.32Å
755	F	72.1	Confident	69.3	Low	3 Å²	3	77 Å²	77	1%	0.013	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-48.9	178.8	-168.6	-89.1	0	0	0	112	F751 R752 H757 F758 D759 L766 F831 F834	F751-F755 WeakPolarHBondContact O-CB 3.22Å; F751-F755 PolarHBondContact O-N 2.96Å; R752-F755 PolarHBondContact O-N 2.98Å; F755-H757 VanDerWaalsContact C-N 3.29Å; F755-H757 PolarHBondContact O-N 2.88Å; F755-F758 PolarHBondContact O-N 3.19Å; F755-F758 VanDerWaalsContact O-N 3.15Å; F755-D759 WeakPolarHBondContact O-CB 3.46Å; F755-D759 PolarHBondContact O-N 2.82Å; F755-L766 HydrophobicContact CD1-CG 4.38Å; F755-L766 HydrophobicContact CD2-CD1 3.23Å; F755-L766 HydrophobicContact CD2-CG 3.64Å; F755-L766 HydrophobicContact CE1-CG 4.14Å; F755-L766 HydrophobicContact CE2-CB 4.12Å; F755-L766 HydrophobicContact CE2-CD1 3.37Å; F755-L766 HydrophobicContact CE2-CG 3.38Å; F755-L766 HydrophobicContact CG-CD1 3.97Å; F755-L766 HydrophobicContact CG-CG 4.16Å; F755-L766 HydrophobicContact CZ-CB 4.32Å; F755-L766 HydrophobicContact CZ-CD1 4.17Å; F755-L766 HydrophobicContact CZ-CG 3.65Å; F755-F831 HydrophobicContact CB-CD2 3.61Å; F755-F831 HydrophobicContact CB-CE2 3.65Å; F755-F831 HydrophobicContact CD1-CB 4.31Å; F755-F831 AromaticContact CD1-CD2 3.77Å; F755-F831 HydrophobicContact CD1-CD2 3.77Å; F755-F831 HydrophobicContact CD1-CG 4.38Å; F755-F831 HydrophobicContact CD2-CB 4.38Å; F755-F831 AromaticContact CD2-CD2 3.52Å; F755-F831 HydrophobicContact CD2-CD2 3.52Å; F755-F831 HydrophobicContact CD2-CE2 4.32Å; F755-F831 HydrophobicContact CD2-CG 4.44Å; F755-F831 HydrophobicContact CE1-CB 3.96Å; F755-F831 HydrophobicContact CE1-CD2 4.26Å; F755-F831 VanDerWaalsContact CE2-CA 3.46Å; F755-F831 HydrophobicContact CE2-CB 4Å; F755-F831 HydrophobicContact CE2-CD2 4.02Å; F755-F831 AromaticContact CG-CD2 3.36Å; F755-F831 HydrophobicContact CG-CD2 3.36Å; F755-F831 AromaticContact CG-CE2 3.97Å; F755-F831 HydrophobicContact CG-CE2 3.97Å; F755-F831 HydrophobicContact CG-CG 4.34Å; F755-F831 HydrophobicContact CZ-CB 3.78Å; F755-F831 HydrophobicContact CZ-CD2 4.36Å; F755-F834 HydrophobicContact CD2-CB 4.07Å; F755-F834 AromaticContact CD2-CD1 3.99Å; F755-F834 HydrophobicContact CD2-CD1 3.99Å; F755-F834 HydrophobicContact CD2-CD2 4.36Å; F755-F834 AromaticContact CD2-CG 3.88Å; F755-F834 HydrophobicContact CD2-CG 3.88Å; F755-F834 HydrophobicContact CE2-CB 4.03Å; F755-F834 HydrophobicContact CE2-CG 4.31Å
756	N	71.5	Confident	69.8	Low	88 Å²	88	73.3 Å²	73.3	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-67.7	-26.4	178.5	-70.3	2	0	0	0	113.3	R752 F758	R752-N756 WeakPolarHBondContact O-CB 3.47Å; R752-N756 PolarHBondContact O-N 3.39Å; N756-F758 PolarHBondContact O-N 2.9Å
757	H	73.1	Confident	70.1	Confident	140 Å²	140	66.6 Å²	66.6	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-65.6	-33	174.7	-176.2	71.5	0	0	0	111.8	A753 S754 F755	A753-H757 VanDerWaalsContact O-CB 3.23Å; A753-H757 WeakPolarHBondContact O-CB 3.49Å; A753-H757 PolarHBondContact O-N 3.49Å; S754-H757 PolarHBondContact O-N 3.47Å; F755-H757 VanDerWaalsContact C-N 3.29Å; F755-H757 PolarHBondContact O-N 2.88Å
758	F	72.1	Confident	70.4	Confident	44 Å²	44	64.9 Å²	64.9	19%	0.193	35%	0.347	C	S	.	.	H	α-helix	trans	-96.8	-20.8	-178.1	-66.8	-69.4	0	0	0	113.6	S754 F755 N756 R760 L766 E770 A773 C774	S754-F758 WeakPolarHBondContact O-CD2 3.16Å; S754-F758 PolarHBondContact O-N 3.32Å; F755-F758 PolarHBondContact O-N 3.19Å; F755-F758 VanDerWaalsContact O-N 3.15Å; N756-F758 PolarHBondContact O-N 2.9Å; F758-R760 PolarHBondContact O-N 3.14Å; F758-R760 VanDerWaalsContact O-N 3.12Å; F758-L766 HydrophobicContact CB-CD2 3.87Å; F758-E770 WeakPolarHBondContact O-CG 3.25Å; F758-E770 VanDerWaalsContact O-OE1 3.12Å; F758-A773 HydrophobicContact CD1-CB 4.38Å; F758-A773 HydrophobicContact CE1-CB 4.39Å; F758-C774 HydrophobicContact CD2-CB 3.95Å; F758-C774 HydrophobicContact CE2-CB 4.28Å; F758-C774 HydrophobicContact CG-CB 4.39Å
759	D	73.9	Confident	70.6	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.053	38%	0.379	C	S	.	.			trans	-76.2	86.4	171.9	-177.7	-4.8	0	0	0	110.5	F755 H762 S763 G764 L766	F755-D759 WeakPolarHBondContact O-CB 3.46Å; F755-D759 PolarHBondContact O-N 2.82Å; D759-H762 VanDerWaalsContact OD1-CA 3.31Å; D759-H762 WeakPolarHBondContact OD1-CA 3.39Å; D759-H762 PolarHBondContact OD1-N 3.05Å; D759-S763 PolarHBondContact OD1-N 3.16Å; D759-G764 WeakPolarHBondContact OD2-CA 3.47Å; D759-G764 PolarHBondContact OD2-N 3.23Å; D759-L766 HydrophobicContact CB-CD2 3.89Å
760	R	68.1	Low	71	Confident	209 Å²	209	69.7 Å²	69.7	79%	0.789	37%	0.366	S	S	*	.	S	Bend	trans	-78	-28.4	-174.6	-72.9	-175.6	175.2	173.6	2.4	113.4	F758 H762 E770	F758-R760 PolarHBondContact O-N 3.14Å; F758-R760 VanDerWaalsContact O-N 3.12Å; R760-H762 VanDerWaalsContact C-N 3.34Å; R760-H762 PolarHBondContact O-CE1 3.33Å; R760-H762 PolarHBondContact O-ND1 2.86Å; R760-E770 PolarHBondContact N-OE1 3.5Å
761	D	67.1	Low	71.2	Confident	109 Å²	109	63.4 Å²	63.4	58%	0.583	34%	0.337	S	S	*	.	S	Bend	trans	-90.2	-3.1	-178.2	69.1	-1.9	0	0	0	113.2	S763	D761-S763 PolarHBondContact O-N 3.36Å; D761-S763 WeakPolarHBondContact OD1-CB 3.33Å; D761-S763 PolarHBondContact OD1-N 3.08Å; D761-S763 VanDerWaalsContact OD1-N 3.1Å; D761-S763 PolarHBondContact OD1-OG 3.47Å
762	H	63.2	Low	71.2	Confident	137 Å²	137	63.7 Å²	63.7	63%	0.634	34%	0.338	S	S	*	.			trans	57.4	32	179.4	-54	54.9	0	0	0	110.9	D759 R760 G764	D759-H762 VanDerWaalsContact OD1-CA 3.31Å; D759-H762 WeakPolarHBondContact OD1-CA 3.39Å; D759-H762 PolarHBondContact OD1-N 3.05Å; R760-H762 VanDerWaalsContact C-N 3.34Å; R760-H762 PolarHBondContact O-CE1 3.33Å; R760-H762 PolarHBondContact O-ND1 2.86Å; H762-G764 PolarHBondContact O-N 3.16Å
763	S	67.3	Low	71.1	Confident	61 Å²	61	64.2 Å²	64.2	43%	0.427	35%	0.349	S	S	.	.			trans	-75.1	-13.5	-179.7	61.1	0	0	0	0	112.5	D759 D761 T765	D759-S763 PolarHBondContact OD1-N 3.16Å; D761-S763 PolarHBondContact O-N 3.36Å; D761-S763 WeakPolarHBondContact OD1-CB 3.33Å; D761-S763 PolarHBondContact OD1-N 3.08Å; D761-S763 VanDerWaalsContact OD1-N 3.1Å; D761-S763 PolarHBondContact OD1-OG 3.47Å; S763-T765 VanDerWaalsContact C-N 3.26Å; S763-T765 PolarHBondContact OG-N 3.4Å; S763-T765 PolarHBondContact OG-O 3.32Å; S763-T765 PolarHBondContact OG-OG1 3.35Å
764	G	67.4	Low	71.4	Confident	44 Å²	44	61.2 Å²	61.2	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	79	11.1	-173.9	0	0	0	0	0	112.9	D759 H762	D759-G764 WeakPolarHBondContact OD2-CA 3.47Å; D759-G764 PolarHBondContact OD2-N 3.23Å; H762-G764 PolarHBondContact O-N 3.16Å
765	T	73.9	Confident	71.4	Confident	36 Å²	36	59 Å²	59	22%	0.221	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.6	-179.1	57.3	0	0	0	0	110.7	S763 V828 T830	S763-T765 VanDerWaalsContact C-N 3.26Å; S763-T765 PolarHBondContact OG-N 3.4Å; S763-T765 PolarHBondContact OG-O 3.32Å; S763-T765 PolarHBondContact OG-OG1 3.35Å; T765-V828 HydrophobicContact CG2-CG2 4.49Å; T765-T830 HydrophobicContact CG2-CG2 4.32Å
766	L	73.9	Confident	71.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.4	176.3	-70.6	175.1	0	0	0	111.3	F755 F758 D759 E770 F771 V829 F834	F755-L766 HydrophobicContact CD1-CG 4.38Å; F755-L766 HydrophobicContact CD2-CD1 3.23Å; F755-L766 HydrophobicContact CD2-CG 3.64Å; F755-L766 HydrophobicContact CE1-CG 4.14Å; F755-L766 HydrophobicContact CE2-CB 4.12Å; F755-L766 HydrophobicContact CE2-CD1 3.37Å; F755-L766 HydrophobicContact CE2-CG 3.38Å; F755-L766 HydrophobicContact CG-CD1 3.97Å; F755-L766 HydrophobicContact CG-CG 4.16Å; F755-L766 HydrophobicContact CZ-CB 4.32Å; F755-L766 HydrophobicContact CZ-CD1 4.17Å; F755-L766 HydrophobicContact CZ-CG 3.65Å; F758-L766 HydrophobicContact CB-CD2 3.87Å; D759-L766 HydrophobicContact CB-CD2 3.89Å; L766-E770 HydrophobicContact CB-CB 4.39Å; L766-E770 HydrophobicContact CD2-CB 3.9Å; L766-F771 HydrophobicContact CB-CB 4.31Å; L766-V829 HydrophobicContact CB-CB 4.42Å; L766-V829 PolarHBondContact N-O 2.89Å; L766-V829 PolarHBondContact O-N 3.39Å; L766-F834 HydrophobicContact CD1-CD2 4.45Å
767	G	73.8	Confident	70.9	Confident	17 Å²	17	62.3 Å²	62.3	18%	0.175	33%	0.333	C	S	.	.			trans	-68.7	168.3	170.5	0	0	0	0	0	112.7	E769 E770 F771	G767-E769 VanDerWaalsContact C-N 3.3Å; G767-E769 PolarHBondContact O-N 3.39Å; G767-E770 PolarHBondContact N-OE2 2.96Å; G767-E770 PolarHBondContact O-N 3Å; G767-E770 VanDerWaalsContact O-N 3.13Å; G767-F771 WeakPolarHBondContact O-CB 3.4Å; G767-F771 PolarHBondContact O-N 3.36Å
768	P	72.2	Confident	70.7	Confident	56 Å²	56	59.2 Å²	59.2	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-37.1	-176	-22.8	35	0	0	0	113.3	K772 F814 M818 G827	P768-K772 WeakPolarHBondContact O-CB 3.48Å; P768-K772 PolarHBondContact O-N 3.29Å; P768-F814 WeakPolarHBondContact O-CZ 3.37Å; P768-M818 HydrophobicContact CB-CE 3.57Å; P768-M818 HydrophobicContact CG-CE 3.95Å; P768-G827 WeakPolarHBondContact CD-O 3.2Å; P768-G827 VanDerWaalsContact CG-O 3.3Å; P768-G827 WeakPolarHBondContact CG-O 3.47Å
769	E	71.3	Confident	70.1	Confident	147 Å²	147	60.2 Å²	60.2	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-72.6	-36.2	177.2	-68.1	-63.2	147.2	0	0	112.3	G767 A773	G767-E769 VanDerWaalsContact C-N 3.3Å; G767-E769 PolarHBondContact O-N 3.39Å; E769-A773 WeakPolarHBondContact O-CB 3.37Å; E769-A773 PolarHBondContact O-N 3.17Å
770	E	76.3	Confident	69.7	Low	42 Å²	42	62.9 Å²	62.9	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-71.9	-41.1	177.6	-63.1	175.3	147.7	0	0	110.9	F758 R760 L766 G767 A773 C774	F758-E770 WeakPolarHBondContact O-CG 3.25Å; F758-E770 VanDerWaalsContact O-OE1 3.12Å; R760-E770 PolarHBondContact N-OE1 3.5Å; L766-E770 HydrophobicContact CB-CB 4.39Å; L766-E770 HydrophobicContact CD2-CB 3.9Å; G767-E770 PolarHBondContact N-OE2 2.96Å; G767-E770 PolarHBondContact O-N 3Å; G767-E770 VanDerWaalsContact O-N 3.13Å; E770-A773 PolarHBondContact O-N 3.5Å; E770-C774 WeakPolarHBondContact O-CB 3.38Å; E770-C774 PolarHBondContact O-N 3.29Å
771	F	75.3	Confident	69	Low	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-39.8	174	-176	-121.8	0	0	0	111.9	L766 G767 A773 C774 L775 F814 I817 M818 V821 V829 F834 F837	L766-F771 HydrophobicContact CB-CB 4.31Å; G767-F771 WeakPolarHBondContact O-CB 3.4Å; G767-F771 PolarHBondContact O-N 3.36Å; F771-A773 VanDerWaalsContact C-N 3.35Å; F771-A773 PolarHBondContact O-N 2.66Å; F771-C774 WeakPolarHBondContact O-CB 3.4Å; F771-C774 PolarHBondContact O-N 2.88Å; F771-L775 HydrophobicContact CD1-CD1 4.12Å; F771-L775 HydrophobicContact CE1-CD1 3.66Å; F771-L775 HydrophobicContact CE1-CG 4.23Å; F771-L775 HydrophobicContact CE2-CD1 4.42Å; F771-L775 HydrophobicContact CE2-CD2 4.15Å; F771-L775 HydrophobicContact CE2-CG 4.11Å; F771-L775 HydrophobicContact CZ-CD1 3.82Å; F771-L775 HydrophobicContact CZ-CD2 3.95Å; F771-L775 HydrophobicContact CZ-CG 3.95Å; F771-L775 WeakPolarHBondContact O-CG 3.38Å; F771-L775 PolarHBondContact O-N 3.44Å; F771-F814 HydrophobicContact CD1-CE2 4.27Å; F771-F814 HydrophobicContact CD1-CZ 4.5Å; F771-I817 HydrophobicContact CE1-CG2 4.1Å; F771-I817 HydrophobicContact CZ-CG2 4.38Å; F771-M818 HydrophobicContact CD1-CE 4.29Å; F771-M818 HydrophobicContact CD1-SD 4.36Å; F771-V821 HydrophobicContact CE1-CB 4.46Å; F771-V821 HydrophobicContact CE1-CG2 3.74Å; F771-V821 HydrophobicContact CZ-CB 4.47Å; F771-V821 HydrophobicContact CZ-CG1 4.36Å; F771-V821 HydrophobicContact CZ-CG2 3.77Å; F771-V829 HydrophobicContact CB-CG2 4.17Å; F771-V829 HydrophobicContact CD1-CG2 3.76Å; F771-V829 HydrophobicContact CD2-CB 4.47Å; F771-V829 HydrophobicContact CD2-CG1 4.24Å; F771-V829 HydrophobicContact CD2-CG2 4.37Å; F771-V829 HydrophobicContact CE1-CG2 4.23Å; F771-V829 HydrophobicContact CE2-CG1 4.35Å; F771-V829 HydrophobicContact CG-CB 4.32Å; F771-V829 HydrophobicContact CG-CG2 3.83Å; F771-F834 AromaticContact CD2-CD2 3.89Å; F771-F834 HydrophobicContact CD2-CD2 3.89Å; F771-F834 HydrophobicContact CD2-CE2 4.2Å; F771-F834 AromaticContact CE2-CD2 3.55Å; F771-F834 HydrophobicContact CE2-CD2 3.55Å; F771-F834 AromaticContact CE2-CE2 3.89Å; F771-F834 HydrophobicContact CE2-CE2 3.89Å; F771-F837 HydrophobicContact CZ-CD1 4.36Å
772	K	70.8	Confident	68.6	Low	53 Å²	53	55.9 Å²	55.9	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-43.5	172.4	-170.5	174.5	-179.4	179.7	0	111.8	P768 C774 L775 I776 F814	P768-K772 WeakPolarHBondContact O-CB 3.48Å; P768-K772 PolarHBondContact O-N 3.29Å; K772-C774 VanDerWaalsContact C-N 3.31Å; K772-C774 PolarHBondContact O-N 3.35Å; K772-L775 PolarHBondContact O-N 3.35Å; K772-I776 HydrophobicContact CG-CD1 4.37Å; K772-I776 WeakPolarHBondContact O-CG1 3.39Å; K772-I776 PolarHBondContact O-N 2.96Å; K772-I776 VanDerWaalsContact O-N 3.12Å; K772-F814 HydrophobicContact CB-CD2 4.4Å; K772-F814 HydrophobicContact CB-CE2 3.61Å; K772-F814 HydrophobicContact CB-CZ 3.68Å; K772-F814 HydrophobicContact CD-CE1 4.48Å; K772-F814 HydrophobicContact CD-CE2 4.47Å; K772-F814 HydrophobicContact CD-CZ 4.39Å; K772-F814 HydrophobicContact CG-CD2 4.19Å; K772-F814 HydrophobicContact CG-CE2 3.89Å; K772-F814 HydrophobicContact CG-CZ 4.18Å
773	A	70.3	Confident	67.9	Low	42 Å²	42	52.2 Å²	52.2	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-38.1	174.8	0	0	0	0	0	112.2	F758 E769 E770 F771 S777	F758-A773 HydrophobicContact CD1-CB 4.38Å; F758-A773 HydrophobicContact CE1-CB 4.39Å; E769-A773 WeakPolarHBondContact O-CB 3.37Å; E769-A773 PolarHBondContact O-N 3.17Å; E770-A773 PolarHBondContact O-N 3.5Å; F771-A773 VanDerWaalsContact C-N 3.35Å; F771-A773 PolarHBondContact O-N 2.66Å; A773-S777 PolarHBondContact O-N 2.97Å; A773-S777 VanDerWaalsContact O-N 3.14Å
774	C	75.2	Confident	66.9	Low	1 Å²	1	55.7 Å²	55.7	1%	0.007	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-46.8	175.3	-168.7	0	0	0	0	112.1	F758 E770 F771 K772 I776 S777 L778 F834	F758-C774 HydrophobicContact CD2-CB 3.95Å; F758-C774 HydrophobicContact CE2-CB 4.28Å; F758-C774 HydrophobicContact CG-CB 4.39Å; E770-C774 WeakPolarHBondContact O-CB 3.38Å; E770-C774 PolarHBondContact O-N 3.29Å; F771-C774 WeakPolarHBondContact O-CB 3.4Å; F771-C774 PolarHBondContact O-N 2.88Å; K772-C774 VanDerWaalsContact C-N 3.31Å; K772-C774 PolarHBondContact O-N 3.35Å; C774-I776 PolarHBondContact O-N 3.01Å; C774-S777 WeakPolarHBondContact O-CB 3.25Å; C774-S777 PolarHBondContact O-N 2.97Å; C774-S777 VanDerWaalsContact O-N 3.14Å; C774-L778 WeakPolarHBondContact O-CG 3.35Å; C774-L778 PolarHBondContact O-N 3.33Å; C774-L778 VanDerWaalsContact O-N 3.1Å; C774-F834 VanDerWaalsContact SG-CE2 3.57Å
775	L	70.7	Confident	65.5	Low	0 Å²	0	61 Å²	61	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-39.2	178.6	-70.6	176	0	0	0	113.1	F771 K772 S777 L778 G779 Y780 F814 I817 F837	F771-L775 HydrophobicContact CD1-CD1 4.12Å; F771-L775 HydrophobicContact CE1-CD1 3.66Å; F771-L775 HydrophobicContact CE1-CG 4.23Å; F771-L775 HydrophobicContact CE2-CD1 4.42Å; F771-L775 HydrophobicContact CE2-CD2 4.15Å; F771-L775 HydrophobicContact CE2-CG 4.11Å; F771-L775 HydrophobicContact CZ-CD1 3.82Å; F771-L775 HydrophobicContact CZ-CD2 3.95Å; F771-L775 HydrophobicContact CZ-CG 3.95Å; F771-L775 WeakPolarHBondContact O-CG 3.38Å; F771-L775 PolarHBondContact O-N 3.44Å; K772-L775 PolarHBondContact O-N 3.35Å; L775-S777 VanDerWaalsContact C-N 3.32Å; L775-S777 PolarHBondContact O-N 3.46Å; L775-L778 PolarHBondContact O-N 3.09Å; L775-G779 PolarHBondContact O-N 3.38Å; L775-Y780 HydrophobicContact CD2-CD2 4.37Å; L775-Y780 PolarHBondContact O-N 3.26Å; L775-F814 HydrophobicContact CD1-CD2 4.06Å; L775-F814 HydrophobicContact CD1-CE2 3.92Å; L775-I817 HydrophobicContact CD1-CG2 3.97Å; L775-F837 HydrophobicContact CD2-CD1 4.34Å; L775-F837 HydrophobicContact CD2-CE1 3.61Å; L775-F837 HydrophobicContact CD2-CZ 4.37Å
776	I	67.4	Low	64.1	Low	74 Å²	74	63.9 Å²	63.9	38%	0.379	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-41.6	174.1	-67.3	167	0	0	0	110.4	K772 C774 L778 G779	K772-I776 HydrophobicContact CG-CD1 4.37Å; K772-I776 WeakPolarHBondContact O-CG1 3.39Å; K772-I776 PolarHBondContact O-N 2.96Å; K772-I776 VanDerWaalsContact O-N 3.12Å; C774-I776 PolarHBondContact O-N 3.01Å; I776-L778 PolarHBondContact O-N 3.19Å; I776-G779 PolarHBondContact O-N 3.45Å
777	S	66.5	Low	62.3	Low	87 Å²	87	72.7 Å²	72.7	61%	0.608	42%	0.423	S	S	*	.	H	α-helix	trans	-66.2	-23.9	177.5	-169	0	0	0	0	113.3	A773 C774 L775	A773-S777 PolarHBondContact O-N 2.97Å; A773-S777 VanDerWaalsContact O-N 3.14Å; C774-S777 WeakPolarHBondContact O-CB 3.25Å; C774-S777 PolarHBondContact O-N 2.97Å; C774-S777 VanDerWaalsContact O-N 3.14Å; L775-S777 VanDerWaalsContact C-N 3.32Å; L775-S777 PolarHBondContact O-N 3.46Å
778	L	67.6	Low	60.5	Low	74 Å²	74	81.9 Å²	81.9	39%	0.387	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.2	177.9	-70	165.4	0	0	0	113.3	C774 L775 I776 Y780 F834 M838	C774-L778 WeakPolarHBondContact O-CG 3.35Å; C774-L778 PolarHBondContact O-N 3.33Å; C774-L778 VanDerWaalsContact O-N 3.1Å; L775-L778 PolarHBondContact O-N 3.09Å; I776-L778 PolarHBondContact O-N 3.19Å; L778-Y780 HydrophobicContact CB-CD2 4.38Å; L778-Y780 HydrophobicContact CB-CE2 4.49Å; L778-F834 HydrophobicContact CD1-CZ 4.49Å; L778-M838 HydrophobicContact CD1-CE 3.95Å; L778-M838 HydrophobicContact CD1-SD 3.83Å; L778-M838 HydrophobicContact CD2-CE 4.26Å
779	G	59.7	Low	58.7	Low	66 Å²	66	87.9 Å²	87.9	68%	0.68	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	11.4	171.1	0	0	0	0	0	116.3	L775 I776	L775-G779 PolarHBondContact O-N 3.38Å; I776-G779 PolarHBondContact O-N 3.45Å
780	Y	65.2	Low	56.8	Low	65 Å²	65	87 Å²	87	26%	0.255	48%	0.483	S	S	.	.			trans	-79.1	124.1	174	-69.2	-96	0	0	0	111	L775 L778 I782 E841	L775-Y780 HydrophobicContact CD2-CD2 4.37Å; L775-Y780 PolarHBondContact O-N 3.26Å; L778-Y780 HydrophobicContact CB-CD2 4.38Å; L778-Y780 HydrophobicContact CB-CE2 4.49Å; Y780-I782 PolarHBondContact O-N 3.35Å; Y780-I782 VanDerWaalsContact O-N 3.1Å; Y780-E841 WeakPolarHBondContact CE1-OE2 3.32Å; Y780-E841 PolarHBondContact OH-OE2 3.2Å
781	D	53.7	Low	54.6	Low	158 Å²	158	88.6 Å²	88.6	85%	0.845	51%	0.512	S	S	*	.			trans	-85.4	80.1	-175.1	-157.8	4.6	0	0	0	111.7
782	I	58.4	Low	52.4	Low	14 Å²	14	97.1 Å²	97.1	7%	0.072	55%	0.553	C	S	.	*			trans	-94.7	101.6	175.4	-55.7	170.7	0	0	0	107.1	Y780 N784 F814	Y780-I782 PolarHBondContact O-N 3.35Å; Y780-I782 VanDerWaalsContact O-N 3.1Å; I782-N784 PolarHBondContact O-N 3.19Å; I782-F814 HydrophobicContact CD1-CB 4.32Å; I782-F814 HydrophobicContact CD1-CD2 3.99Å; I782-F814 HydrophobicContact CG2-CB 4.4Å
783	G	49.8	Very low	50.4	Low	59 Å²	59	102.2 Å²	102.2	61%	0.608	58%	0.58	S	S	*	*			trans	-44.6	123	-171.9	0	0	0	0	0	115
784	N	46.5	Very low	48.7	Very low	134 Å²	134	106.3 Å²	106.3	72%	0.717	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-86.2	132.6	174.4	-96	-31.9	0	0	0	111	I782	I782-N784 PolarHBondContact O-N 3.19Å
785	D	37.9	Very low	46.8	Very low	155 Å²	155	112.3 Å²	112.3	83%	0.829	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-91.5	121.9	162.8	-148.1	-6.6	0	0	0	109.5
786	P	43.9	Very low	45.6	Very low	97 Å²	97	119.5 Å²	119.5	63%	0.63	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-87.8	123.5	-176.8	31.1	-30.6	0	0	0	112.3
787	Q	35.2	Very low	44.4	Very low	186 Å²	186	123.1 Å²	123.1	87%	0.869	69%	0.692	S	S	*	*				167.5	101.6	126.4	-91.4	161.6	9	0	0	113.4
788	K	37.7	Very low	43.1	Very low	209 Å²	209	127.1 Å²	127.1	91%	0.909	70%	0.698	S	S	*	*			trans	-70.7	112.1	133.9	-90.5	178.7	175.7	171.7	0	107.3
789	K	33.3	Very low	42	Very low	182 Å²	182	134.2 Å²	134.2	79%	0.791	72%	0.72	S	S	*	*			trans	172.3	121.1	133.7	-100.6	176.6	-179.7	178.7	0	112.8
790	T	31.4	Very low	41.6	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	72%	0.722	S	S	*	*			trans	54.9	111.5	136.4	59.1	0	0	0	0	119.7
791	G	30.1	Very low	40.7	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	74%	0.74	S	S	*	*				92.9	114.8	118	0	0	0	0	0	118.4
792	M	28.4	Very low	40.2	Very low	178 Å²	178	135.4 Å²	135.4	88%	0.877	73%	0.733	S	S	*	*			trans	79.8	108.2	152.8	-84.7	178.7	80.2	0	0	120.6
793	M	28.7	Very low	39.6	Very low	161 Å²	161	141.8 Å²	141.8	79%	0.793	77%	0.765	S	S	*	*				91	102.3	123.2	-152.1	167.2	155.8	0	0	118.9
794	D	35	Very low	39	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	77%	0.768	S	S	*	*				51.8	106.6	129.7	-146.7	14.8	0	0	0	119.4
795	T	35.6	Very low	38.7	Very low	127 Å²	127	145 Å²	145	78%	0.779	77%	0.773	S	S	*	*				174.8	123.2	108	26.4	0	0	0	0	109.5
796	D	44.9	Very low	38.7	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	76%	0.76	S	S	*	*			trans	-56.7	162.5	165.4	-79.8	-46.5	0	0	0	111.9
797	D	42.6	Very low	38.3	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	77%	0.77	S	S	*	*	S	Bend	trans	103.3	18.3	170.7	-62.5	-18.4	0	0	0	120.5
798	F	39.3	Very low	38.6	Very low	171 Å²	171	143.7 Å²	143.7	75%	0.75	77%	0.765	S	S	*	*	S	Bend	trans	-131.4	-22	164	-145.3	-103.7	0	0	0	116.6
799	R	45.3	Very low	38.9	Very low	222 Å²	222	141.8 Å²	141.8	84%	0.838	76%	0.761	S	S	*	*	S	Bend	trans	-86.2	-27.5	-178.4	-123.5	176.9	-167.9	167.5	1	114.3	C801 L802	R799-C801 PolarHBondContact O-N 3.14Å; R799-L802 PolarHBondContact O-N 3.02Å
800	A	51	Low	40	Very low	88 Å²	88	134.5 Å²	134.5	73%	0.727	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-15.5	173.9	0	0	0	0	0	113.3
801	C	45.7	Very low	41.6	Very low	93 Å²	93	135.2 Å²	135.2	63%	0.628	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-26.9	179.1	-130.8	0	0	0	0	113.3	R799 S804	R799-C801 PolarHBondContact O-N 3.14Å; C801-S804 PolarHBondContact O-OG 3.26Å
802	L	42.8	Very low	43.1	Very low	133 Å²	133	134.5 Å²	134.5	70%	0.696	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-87	-16.3	-175.8	-80.6	165	0	0	0	114.6	R799 S804	R799-L802 PolarHBondContact O-N 3.02Å; L802-S804 PolarHBondContact O-N 3.15Å
803	I	47.4	Very low	44.7	Very low	148 Å²	148	130.3 Å²	130.3	76%	0.759	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-73.4	-13.6	173.4	-65.2	176	0	0	0	111.4	M805	I803-M805 PolarHBondContact O-N 3.26Å
804	S	36.8	Very low	46.8	Very low	94 Å²	94	124.1 Å²	124.1	66%	0.657	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-73.9	1.5	179.2	74.8	0	0	0	0	115.8	C801 L802	C801-S804 PolarHBondContact O-OG 3.26Å; L802-S804 PolarHBondContact O-N 3.15Å
805	M	38.8	Very low	48.5	Very low	167 Å²	167	120.9 Å²	120.9	82%	0.823	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-130.9	15.4	-177.1	-71.8	-167.4	157.2	0	0	116.3	I803	I803-M805 PolarHBondContact O-N 3.26Å
806	G	38.3	Very low	50.2	Low	55 Å²	55	122.1 Å²	122.1	57%	0.567	65%	0.647	S	S	*	*			trans	38	98.9	159.6	0	0	0	0	0	120.1
807	Y	36.8	Very low	51.5	Low	211 Å²	211	115.8 Å²	115.8	83%	0.827	61%	0.614	S	S	*	*			trans	-161.9	115.6	147.8	-83.6	-76	0	0	0	110
808	N	39.6	Very low	53	Low	144 Å²	144	109.9 Å²	109.9	77%	0.77	58%	0.581	S	S	*	*			trans	-135.9	99.3	161.1	-108.9	-2.5	0	0	0	107.4	G810	N808-G810 PolarHBondContact O-N 3.01Å
809	M	44.8	Very low	54.6	Low	169 Å²	169	105.1 Å²	105.1	83%	0.833	57%	0.569	S	S	*	*			trans	-80.9	1.2	-169.7	-90.1	-152.7	-94.5	0	0	115.6
810	G	57.3	Low	55.8	Low	29 Å²	29	98.4 Å²	98.4	30%	0.299	55%	0.549	S	S	.	.	S	Bend	trans	-94	-32.4	-175.4	0	0	0	0	0	117.3	N808	N808-G810 PolarHBondContact O-N 3.01Å
811	E	63.6	Low	56.8	Low	144 Å²	144	94.6 Å²	94.6	67%	0.673	52%	0.517	S	S	*	.	H	α-helix	trans	-80.3	-26.6	-178.4	-78.8	-175.1	150.3	0	0	113.6	E813 F814 A815	E811-E813 PolarHBondContact O-N 3.28Å; E811-F814 PolarHBondContact O-N 3.48Å; E811-A815 WeakPolarHBondContact O-CB 3.36Å; E811-A815 PolarHBondContact O-N 3.48Å
812	A	61.7	Low	58.2	Low	62 Å²	62	90.8 Å²	90.8	51%	0.512	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-28.7	-179.9	0	0	0	0	0	112.4	R816	A812-R816 WeakPolarHBondContact O-CB 3.46Å; A812-R816 PolarHBondContact O-N 3.24Å
813	E	63	Low	59.3	Low	90 Å²	90	88.9 Å²	88.9	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-77.5	-43.5	179.4	-167.4	157	-138.5	0	0	112	E811 A815 R816 I817	E811-E813 PolarHBondContact O-N 3.28Å; E813-A815 PolarHBondContact O-N 3.06Å; E813-R816 WeakPolarHBondContact O-CB 3.42Å; E813-R816 PolarHBondContact O-N 3.38Å; E813-I817 WeakPolarHBondContact O-CG1 3.34Å; E813-I817 PolarHBondContact O-N 3.4Å
814	F	73.2	Confident	60.4	Low	30 Å²	30	88 Å²	88	13%	0.132	48%	0.483	C	S	.	.	H	α-helix	trans	-63.3	-40.6	173.4	-178.3	-103.6	0	0	0	112.1	P768 F771 K772 L775 I782 E811 R816 I817 M818	P768-F814 WeakPolarHBondContact O-CZ 3.37Å; F771-F814 HydrophobicContact CD1-CE2 4.27Å; F771-F814 HydrophobicContact CD1-CZ 4.5Å; K772-F814 HydrophobicContact CB-CD2 4.4Å; K772-F814 HydrophobicContact CB-CE2 3.61Å; K772-F814 HydrophobicContact CB-CZ 3.68Å; K772-F814 HydrophobicContact CD-CE1 4.48Å; K772-F814 HydrophobicContact CD-CE2 4.47Å; K772-F814 HydrophobicContact CD-CZ 4.39Å; K772-F814 HydrophobicContact CG-CD2 4.19Å; K772-F814 HydrophobicContact CG-CE2 3.89Å; K772-F814 HydrophobicContact CG-CZ 4.18Å; L775-F814 HydrophobicContact CD1-CD2 4.06Å; L775-F814 HydrophobicContact CD1-CE2 3.92Å; I782-F814 HydrophobicContact CD1-CB 4.32Å; I782-F814 HydrophobicContact CD1-CD2 3.99Å; I782-F814 HydrophobicContact CG2-CB 4.4Å; E811-F814 PolarHBondContact O-N 3.48Å; F814-R816 VanDerWaalsContact C-N 3.27Å; F814-R816 PolarHBondContact O-N 3.27Å; F814-I817 PolarHBondContact O-N 3.26Å; F814-M818 HydrophobicContact CE1-CE 4.45Å; F814-M818 HydrophobicContact CZ-CE 4.13Å; F814-M818 WeakPolarHBondContact O-CB 3.3Å; F814-M818 PolarHBondContact O-N 3.19Å
815	A	69.6	Low	61.9	Low	60 Å²	60	94.5 Å²	94.5	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-35.6	175.7	0	0	0	0	0	112.4	E811 E813 S819	E811-A815 WeakPolarHBondContact O-CB 3.36Å; E811-A815 PolarHBondContact O-N 3.48Å; E813-A815 PolarHBondContact O-N 3.06Å; A815-S819 PolarHBondContact O-N 2.98Å
816	R	71.7	Confident	63.3	Low	152 Å²	152	92.4 Å²	92.4	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-70.8	-41	176	-158.6	-162.7	-46.5	156.1	9.8	111.9	A812 E813 F814 S819 I820	A812-R816 WeakPolarHBondContact O-CB 3.46Å; A812-R816 PolarHBondContact O-N 3.24Å; E813-R816 WeakPolarHBondContact O-CB 3.42Å; E813-R816 PolarHBondContact O-N 3.38Å; F814-R816 VanDerWaalsContact C-N 3.27Å; F814-R816 PolarHBondContact O-N 3.27Å; R816-S819 PolarHBondContact O-N 3.29Å; R816-S819 PolarHBondContact O-OG 2.72Å; R816-I820 WeakPolarHBondContact O-CG1 3.25Å; R816-I820 PolarHBondContact O-N 2.58Å
817	I	71.8	Confident	64.8	Low	19 Å²	19	91.3 Å²	91.3	10%	0.097	47%	0.474	C	S	.	.	H	α-helix	trans	-62.4	-49.4	174.1	-69.8	169.7	0	0	0	109.2	F771 L775 E813 F814 S819 I820 V821 F837	F771-I817 HydrophobicContact CE1-CG2 4.1Å; F771-I817 HydrophobicContact CZ-CG2 4.38Å; L775-I817 HydrophobicContact CD1-CG2 3.97Å; E813-I817 WeakPolarHBondContact O-CG1 3.34Å; E813-I817 PolarHBondContact O-N 3.4Å; F814-I817 PolarHBondContact O-N 3.26Å; I817-S819 VanDerWaalsContact C-N 3.28Å; I817-S819 PolarHBondContact O-N 3.21Å; I817-I820 WeakPolarHBondContact O-CA 3.49Å; I817-I820 WeakPolarHBondContact O-CB 3.44Å; I817-I820 PolarHBondContact O-N 3.09Å; I817-V821 HydrophobicContact CG2-CG2 3.91Å; I817-V821 WeakPolarHBondContact O-CG2 3.45Å; I817-V821 PolarHBondContact O-N 2.81Å; I817-V821 VanDerWaalsContact O-N 3.12Å; I817-F837 HydrophobicContact CB-CE2 4.32Å; I817-F837 HydrophobicContact CB-CZ 4.46Å; I817-F837 HydrophobicContact CD1-CZ 4.22Å; I817-F837 HydrophobicContact CG1-CE2 4.15Å; I817-F837 HydrophobicContact CG1-CZ 4.16Å; I817-F837 HydrophobicContact CG2-CD2 4.15Å; I817-F837 HydrophobicContact CG2-CE1 4.19Å; I817-F837 HydrophobicContact CG2-CE2 3.51Å; I817-F837 HydrophobicContact CG2-CZ 3.53Å
818	M	73.6	Confident	66.7	Low	26 Å²	26	83.8 Å²	83.8	13%	0.128	45%	0.449	C	S	.	.	H	α-helix	trans	-58.6	-35.7	179.3	-171.2	60.9	105.3	0	0	112.8	P768 F771 F814 I820 V821 D822 V829	P768-M818 HydrophobicContact CB-CE 3.57Å; P768-M818 HydrophobicContact CG-CE 3.95Å; F771-M818 HydrophobicContact CD1-CE 4.29Å; F771-M818 HydrophobicContact CD1-SD 4.36Å; F814-M818 HydrophobicContact CE1-CE 4.45Å; F814-M818 HydrophobicContact CZ-CE 4.13Å; F814-M818 WeakPolarHBondContact O-CB 3.3Å; F814-M818 PolarHBondContact O-N 3.19Å; M818-I820 PolarHBondContact O-N 3.23Å; M818-V821 PolarHBondContact O-N 3.03Å; M818-D822 WeakPolarHBondContact O-CA 3.15Å; M818-D822 PolarHBondContact O-N 3.36Å; M818-D822 HydrophobicContact SD-CB 4.19Å; M818-V829 HydrophobicContact CE-CG2 4.16Å; M818-V829 HydrophobicContact SD-CG2 3.74Å
819	S	73.5	Confident	68.3	Low	71 Å²	71	77 Å²	77	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-70	-18	175.6	67.8	0	0	0	0	114.1	A815 R816 I817	A815-S819 PolarHBondContact O-N 2.98Å; R816-S819 PolarHBondContact O-N 3.29Å; R816-S819 PolarHBondContact O-OG 2.72Å; I817-S819 VanDerWaalsContact C-N 3.28Å; I817-S819 PolarHBondContact O-N 3.21Å
820	I	71.8	Confident	69.8	Low	81 Å²	81	72 Å²	72	42%	0.415	39%	0.392	S	S	.	.	H	α-helix	trans	-84.9	-39.9	174.6	-62.5	164.6	0	0	0	110.7	R816 I817 M818	R816-I820 WeakPolarHBondContact O-CG1 3.25Å; R816-I820 PolarHBondContact O-N 2.58Å; I817-I820 WeakPolarHBondContact O-CA 3.49Å; I817-I820 WeakPolarHBondContact O-CB 3.44Å; I817-I820 PolarHBondContact O-N 3.09Å; M818-I820 PolarHBondContact O-N 3.23Å
821	V	71.9	Confident	70.4	Confident	8 Å²	8	71.6 Å²	71.6	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-85.4	-25	-177.3	-136.2	0	0	0	0	112.6	F771 I817 M818 V829 A833 F837	F771-V821 HydrophobicContact CE1-CB 4.46Å; F771-V821 HydrophobicContact CE1-CG2 3.74Å; F771-V821 HydrophobicContact CZ-CB 4.47Å; F771-V821 HydrophobicContact CZ-CG1 4.36Å; F771-V821 HydrophobicContact CZ-CG2 3.77Å; I817-V821 HydrophobicContact CG2-CG2 3.91Å; I817-V821 WeakPolarHBondContact O-CG2 3.45Å; I817-V821 PolarHBondContact O-N 2.81Å; I817-V821 VanDerWaalsContact O-N 3.12Å; M818-V821 PolarHBondContact O-N 3.03Å; V821-V829 HydrophobicContact CB-CG1 4.34Å; V821-V829 HydrophobicContact CG1-CG1 3.73Å; V821-A833 VanDerWaalsContact CG1-C 3.41Å; V821-A833 HydrophobicContact CG1-CB 3.81Å; V821-A833 WeakPolarHBondContact CG1-O 3.38Å; V821-A833 WeakPolarHBondContact O-CB 3.3Å; V821-F837 HydrophobicContact CG1-CB 3.79Å; V821-F837 HydrophobicContact CG2-CB 4.2Å; V821-F837 HydrophobicContact CG2-CD2 4.03Å; V821-F837 HydrophobicContact CG2-CG 4.09Å
822	D	74.9	Confident	70.7	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.07	36%	0.362	C	S	.	.			trans	-130.1	71.3	174.4	-179.7	20.8	0	0	0	110.5	M818 N824 R825 L826 G827	M818-D822 WeakPolarHBondContact O-CA 3.15Å; M818-D822 PolarHBondContact O-N 3.36Å; M818-D822 HydrophobicContact SD-CB 4.19Å; D822-N824 PolarHBondContact O-N 3.32Å; D822-N824 VanDerWaalsContact O-N 3.14Å; D822-N824 PolarHBondContact OD1-N 2.92Å; D822-R825 PolarHBondContact O-N 3.44Å; D822-R825 VanDerWaalsContact O-N 3.16Å; D822-R825 PolarHBondContact OD1-N 3.39Å; D822-R825 VanDerWaalsContact OD2-C 3.26Å; D822-R825 VanDerWaalsContact OD2-CA 3.25Å; D822-R825 WeakPolarHBondContact OD2-CA 3.49Å; D822-L826 VanDerWaalsContact CG-N 3.34Å; D822-L826 PolarHBondContact OD1-N 3.43Å; D822-L826 PolarHBondContact OD2-N 3.06Å; D822-G827 PolarHBondContact OD2-N 3.12Å
823	P	65.2	Low	71.2	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.2	178	23.6	-31.4	0	0	0	112.9
824	N	71.6	Confident	71.6	Confident	129 Å²	129	61 Å²	61	69%	0.69	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5	-179.9	-65.3	-23.2	0	0	0	113.6	D822 L826	D822-N824 PolarHBondContact O-N 3.32Å; D822-N824 VanDerWaalsContact O-N 3.14Å; D822-N824 PolarHBondContact OD1-N 2.92Å; N824-L826 VanDerWaalsContact C-N 3.26Å; N824-L826 HydrophobicContact CB-CD1 4.17Å; N824-L826 HydrophobicContact CB-CG 4.01Å; N824-L826 PolarHBondContact O-N 2.77Å
825	R	67.9	Low	71.6	Confident	230 Å²	230	59.6 Å²	59.6	87%	0.868	32%	0.319	S	S	*	.			trans	53.2	39	-176.6	-56.3	-173	-176.9	-158.1	1.4	113.6	D822 G827	D822-R825 PolarHBondContact O-N 3.44Å; D822-R825 VanDerWaalsContact O-N 3.16Å; D822-R825 PolarHBondContact OD1-N 3.39Å; D822-R825 VanDerWaalsContact OD2-C 3.26Å; D822-R825 VanDerWaalsContact OD2-CA 3.25Å; D822-R825 WeakPolarHBondContact OD2-CA 3.49Å; R825-G827 PolarHBondContact O-N 3.25Å
826	L	68.1	Low	71.6	Confident	123 Å²	123	59.2 Å²	59.2	64%	0.644	31%	0.309	S	S	*	.			trans	-72.5	-11	174.3	-67.4	171.2	0	0	0	112.3	D822 N824 V828	D822-L826 VanDerWaalsContact CG-N 3.34Å; D822-L826 PolarHBondContact OD1-N 3.43Å; D822-L826 PolarHBondContact OD2-N 3.06Å; N824-L826 VanDerWaalsContact C-N 3.26Å; N824-L826 HydrophobicContact CB-CD1 4.17Å; N824-L826 HydrophobicContact CB-CG 4.01Å; N824-L826 PolarHBondContact O-N 2.77Å; L826-V828 HydrophobicContact CB-CG2 4.08Å; L826-V828 PolarHBondContact O-N 2.95Å
827	G	69.9	Low	71.6	Confident	33 Å²	33	52.7 Å²	52.7	34%	0.34	28%	0.284	S	S	.	.	S	Bend	trans	74.1	11	179.5	0	0	0	0	0	113	P768 D822 R825	P768-G827 WeakPolarHBondContact CD-O 3.2Å; P768-G827 VanDerWaalsContact CG-O 3.3Å; P768-G827 WeakPolarHBondContact CG-O 3.47Å; D822-G827 PolarHBondContact OD2-N 3.12Å; R825-G827 PolarHBondContact O-N 3.25Å
828	V	75.2	Confident	71.3	Confident	53 Å²	53	54.1 Å²	54.1	32%	0.321	29%	0.291	S	S	.	.			trans	-137.4	137.5	-179.9	-66.4	0	0	0	0	109.8	T765 L826	T765-V828 HydrophobicContact CG2-CG2 4.49Å; L826-V828 HydrophobicContact CB-CG2 4.08Å; L826-V828 PolarHBondContact O-N 2.95Å
829	V	75.1	Confident	70.9	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.7	178.4	-178.9	0	0	0	0	108.2	L766 F771 M818 V821 A833 F834	L766-V829 HydrophobicContact CB-CB 4.42Å; L766-V829 PolarHBondContact N-O 2.89Å; L766-V829 PolarHBondContact O-N 3.39Å; F771-V829 HydrophobicContact CB-CG2 4.17Å; F771-V829 HydrophobicContact CD1-CG2 3.76Å; F771-V829 HydrophobicContact CD2-CB 4.47Å; F771-V829 HydrophobicContact CD2-CG1 4.24Å; F771-V829 HydrophobicContact CD2-CG2 4.37Å; F771-V829 HydrophobicContact CE1-CG2 4.23Å; F771-V829 HydrophobicContact CE2-CG1 4.35Å; F771-V829 HydrophobicContact CG-CB 4.32Å; F771-V829 HydrophobicContact CG-CG2 3.83Å; M818-V829 HydrophobicContact CE-CG2 4.16Å; M818-V829 HydrophobicContact SD-CG2 3.74Å; V821-V829 HydrophobicContact CB-CG1 4.34Å; V821-V829 HydrophobicContact CG1-CG1 3.73Å; V829-A833 HydrophobicContact CG1-CB 4.42Å; V829-F834 HydrophobicContact CG1-CB 4.1Å
830	T	75.7	Confident	70.5	Confident	65 Å²	65	60.4 Å²	60.4	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	153.4	173.9	65	0	0	0	0	110.4	T765 Q832 A833 F834	T765-T830 HydrophobicContact CG2-CG2 4.32Å; T830-Q832 PolarHBondContact O-N 3.06Å; T830-Q832 VanDerWaalsContact O-N 3.15Å; T830-A833 PolarHBondContact O-N 3.46Å; T830-A833 VanDerWaalsContact O-N 3.09Å; T830-A833 WeakPolarHBondContact OG1-CB 3.39Å; T830-A833 PolarHBondContact OG1-N 3.42Å; T830-F834 PolarHBondContact O-N 3.36Å
831	F	70.4	Confident	70	Confident	20 Å²	20	62.6 Å²	62.6	9%	0.088	32%	0.318	C	S	.	.	H	α-helix	trans	-55.6	-33.7	175.6	-174.7	-120.4	0	0	0	112.6	M748 R752 F755 F834 I835	M748-F831 HydrophobicContact CE-CE1 4Å; M748-F831 HydrophobicContact SD-CE1 4.49Å; R752-F831 HydrophobicContact CB-CE2 4.16Å; R752-F831 HydrophobicContact CB-CZ 3.67Å; R752-F831 HydrophobicContact CG-CE1 4.27Å; R752-F831 HydrophobicContact CG-CE2 4.28Å; R752-F831 HydrophobicContact CG-CZ 3.79Å; F755-F831 HydrophobicContact CB-CD2 3.61Å; F755-F831 HydrophobicContact CB-CE2 3.65Å; F755-F831 HydrophobicContact CD1-CB 4.31Å; F755-F831 AromaticContact CD1-CD2 3.77Å; F755-F831 HydrophobicContact CD1-CD2 3.77Å; F755-F831 HydrophobicContact CD1-CG 4.38Å; F755-F831 HydrophobicContact CD2-CB 4.38Å; F755-F831 AromaticContact CD2-CD2 3.52Å; F755-F831 HydrophobicContact CD2-CD2 3.52Å; F755-F831 HydrophobicContact CD2-CE2 4.32Å; F755-F831 HydrophobicContact CD2-CG 4.44Å; F755-F831 HydrophobicContact CE1-CB 3.96Å; F755-F831 HydrophobicContact CE1-CD2 4.26Å; F755-F831 VanDerWaalsContact CE2-CA 3.46Å; F755-F831 HydrophobicContact CE2-CB 4Å; F755-F831 HydrophobicContact CE2-CD2 4.02Å; F755-F831 AromaticContact CG-CD2 3.36Å; F755-F831 HydrophobicContact CG-CD2 3.36Å; F755-F831 AromaticContact CG-CE2 3.97Å; F755-F831 HydrophobicContact CG-CE2 3.97Å; F755-F831 HydrophobicContact CG-CG 4.34Å; F755-F831 HydrophobicContact CZ-CB 3.78Å; F755-F831 HydrophobicContact CZ-CD2 4.36Å; F831-F834 HydrophobicContact CD2-CD1 4.44Å; F831-F834 HydrophobicContact CE2-CD1 4.44Å; F831-F834 WeakPolarHBondContact O-CB 3.48Å; F831-I835 HydrophobicContact CD1-CD1 4.16Å; F831-I835 HydrophobicContact CE1-CD1 3.67Å; F831-I835 HydrophobicContact CE2-CD1 4.35Å; F831-I835 HydrophobicContact CZ-CD1 3.77Å; F831-I835 HydrophobicContact CZ-CG1 4.39Å; F831-I835 WeakPolarHBondContact O-CG1 3.37Å; F831-I835 PolarHBondContact O-N 3.41Å
832	Q	69.4	Low	69.2	Low	55 Å²	55	68.2 Å²	68.2	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-48.6	176.3	-179.3	56.8	46.5	0	0	112.1	T737 T830 F834 I835 D836	T737-Q832 PolarHBondContact OG1-NE2 3.22Å; T737-Q832 PolarHBondContact OG1-OE1 2.97Å; T830-Q832 PolarHBondContact O-N 3.06Å; T830-Q832 VanDerWaalsContact O-N 3.15Å; Q832-F834 VanDerWaalsContact C-N 3.29Å; Q832-F834 PolarHBondContact O-N 2.9Å; Q832-I835 PolarHBondContact O-N 3.35Å; Q832-D836 PolarHBondContact NE2-OD1 3.21Å; Q832-D836 PolarHBondContact NE2-OD2 3.25Å; Q832-D836 PolarHBondContact O-N 2.93Å; Q832-D836 VanDerWaalsContact O-N 3.07Å
833	A	72.1	Confident	68.1	Low	17 Å²	17	72.2 Å²	72.2	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-66.6	-35	179.6	0	0	0	0	0	111.9	V821 V829 T830 I835 D836 F837	V821-A833 VanDerWaalsContact CG1-C 3.41Å; V821-A833 HydrophobicContact CG1-CB 3.81Å; V821-A833 WeakPolarHBondContact CG1-O 3.38Å; V821-A833 WeakPolarHBondContact O-CB 3.3Å; V829-A833 HydrophobicContact CG1-CB 4.42Å; T830-A833 PolarHBondContact O-N 3.46Å; T830-A833 VanDerWaalsContact O-N 3.09Å; T830-A833 WeakPolarHBondContact OG1-CB 3.39Å; T830-A833 PolarHBondContact OG1-N 3.42Å; A833-I835 VanDerWaalsContact C-N 3.35Å; A833-I835 PolarHBondContact O-N 3.44Å; A833-D836 PolarHBondContact O-N 3.43Å; A833-F837 PolarHBondContact O-N 3.12Å
834	F	72.2	Confident	66.9	Low	2 Å²	2	75.9 Å²	75.9	1%	0.009	40%	0.401	C	S	.	.	H	α-helix	trans	-56.1	-46.1	172.6	179.1	-101.2	0	0	0	112.3	F751 F755 L766 F771 C774 L778 V829 T830 F831 Q832 M838	F751-F834 HydrophobicContact CB-CE1 4.37Å; F755-F834 HydrophobicContact CD2-CB 4.07Å; F755-F834 AromaticContact CD2-CD1 3.99Å; F755-F834 HydrophobicContact CD2-CD1 3.99Å; F755-F834 HydrophobicContact CD2-CD2 4.36Å; F755-F834 AromaticContact CD2-CG 3.88Å; F755-F834 HydrophobicContact CD2-CG 3.88Å; F755-F834 HydrophobicContact CE2-CB 4.03Å; F755-F834 HydrophobicContact CE2-CG 4.31Å; L766-F834 HydrophobicContact CD1-CD2 4.45Å; F771-F834 AromaticContact CD2-CD2 3.89Å; F771-F834 HydrophobicContact CD2-CD2 3.89Å; F771-F834 HydrophobicContact CD2-CE2 4.2Å; F771-F834 AromaticContact CE2-CD2 3.55Å; F771-F834 HydrophobicContact CE2-CD2 3.55Å; F771-F834 AromaticContact CE2-CE2 3.89Å; F771-F834 HydrophobicContact CE2-CE2 3.89Å; C774-F834 VanDerWaalsContact SG-CE2 3.57Å; L778-F834 HydrophobicContact CD1-CZ 4.49Å; V829-F834 HydrophobicContact CG1-CB 4.1Å; T830-F834 PolarHBondContact O-N 3.36Å; F831-F834 HydrophobicContact CD2-CD1 4.44Å; F831-F834 HydrophobicContact CE2-CD1 4.44Å; F831-F834 WeakPolarHBondContact O-CB 3.48Å; Q832-F834 VanDerWaalsContact C-N 3.29Å; Q832-F834 PolarHBondContact O-N 2.9Å; F834-M838 WeakPolarHBondContact O-CG 3.37Å; F834-M838 PolarHBondContact O-N 3.5Å
835	I	72.1	Confident	66	Low	1 Å²	1	76.6 Å²	76.6	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-41.2	176.1	-70.6	174.7	0	0	0	111.4	T737 I743 M748 F831 Q832 A833 F837 M838 S839	T737-I835 HydrophobicContact CG2-CG2 4.01Å; I743-I835 HydrophobicContact CD1-CG2 3.64Å; M748-I835 HydrophobicContact CE-CD1 3.46Å; M748-I835 VanDerWaalsContact CE-CD1 3.46Å; M748-I835 HydrophobicContact SD-CD1 3.44Å; M748-I835 WeakPolarHBondContact SD-CD1 3.15Å; F831-I835 HydrophobicContact CD1-CD1 4.16Å; F831-I835 HydrophobicContact CE1-CD1 3.67Å; F831-I835 HydrophobicContact CE2-CD1 4.35Å; F831-I835 HydrophobicContact CZ-CD1 3.77Å; F831-I835 HydrophobicContact CZ-CG1 4.39Å; F831-I835 WeakPolarHBondContact O-CG1 3.37Å; F831-I835 PolarHBondContact O-N 3.41Å; Q832-I835 PolarHBondContact O-N 3.35Å; A833-I835 VanDerWaalsContact C-N 3.35Å; A833-I835 PolarHBondContact O-N 3.44Å; I835-F837 VanDerWaalsContact C-N 3.31Å; I835-F837 PolarHBondContact O-N 3.45Å; I835-M838 PolarHBondContact O-N 3.15Å; I835-S839 PolarHBondContact O-N 3.1Å; I835-S839 PolarHBondContact O-OG 2.82Å
836	D	69.9	Low	65	Low	52 Å²	52	72.3 Å²	72.3	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-38.6	-177.4	-70.1	-21.5	0	0	0	112.7	K741 Q832 A833 S839	K741-D836 WeakPolarHBondContact CE-OD1 3.3Å; K741-D836 IonicContact NZ-OD1 2.58Å; K741-D836 PolarHBondContact NZ-OD1 3.27Å; Q832-D836 PolarHBondContact NE2-OD1 3.21Å; Q832-D836 PolarHBondContact NE2-OD2 3.25Å; Q832-D836 PolarHBondContact O-N 2.93Å; Q832-D836 VanDerWaalsContact O-N 3.07Å; A833-D836 PolarHBondContact O-N 3.43Å; D836-S839 PolarHBondContact O-OG 3.35Å
837	F	70.8	Confident	64.8	Low	15 Å²	15	70.9 Å²	70.9	7%	0.066	40%	0.401	C	S	.	.	H	α-helix	trans	-63.7	-51.5	174.5	175	-102.6	0	0	0	112.5	F771 L775 I817 V821 A833 I835 S839 R840	F771-F837 HydrophobicContact CZ-CD1 4.36Å; L775-F837 HydrophobicContact CD2-CD1 4.34Å; L775-F837 HydrophobicContact CD2-CE1 3.61Å; L775-F837 HydrophobicContact CD2-CZ 4.37Å; I817-F837 HydrophobicContact CB-CE2 4.32Å; I817-F837 HydrophobicContact CB-CZ 4.46Å; I817-F837 HydrophobicContact CD1-CZ 4.22Å; I817-F837 HydrophobicContact CG1-CE2 4.15Å; I817-F837 HydrophobicContact CG1-CZ 4.16Å; I817-F837 HydrophobicContact CG2-CD2 4.15Å; I817-F837 HydrophobicContact CG2-CE1 4.19Å; I817-F837 HydrophobicContact CG2-CE2 3.51Å; I817-F837 HydrophobicContact CG2-CZ 3.53Å; V821-F837 HydrophobicContact CG1-CB 3.79Å; V821-F837 HydrophobicContact CG2-CB 4.2Å; V821-F837 HydrophobicContact CG2-CD2 4.03Å; V821-F837 HydrophobicContact CG2-CG 4.09Å; A833-F837 PolarHBondContact O-N 3.12Å; I835-F837 VanDerWaalsContact C-N 3.31Å; I835-F837 PolarHBondContact O-N 3.45Å; F837-S839 PolarHBondContact O-N 3.18Å; F837-S839 VanDerWaalsContact O-N 3.09Å; F837-R840 PolarHBondContact O-N 3.09Å; F837-R840 VanDerWaalsContact O-N 3.16Å
838	M	66.4	Low	64.3	Low	48 Å²	48	70.6 Å²	70.6	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-27	-178.6	-69.1	-61.1	-65.4	0	0	113.3	F751 L778 F834 I835	F751-M838 HydrophobicContact CE1-CE 4.36Å; L778-M838 HydrophobicContact CD1-CE 3.95Å; L778-M838 HydrophobicContact CD1-SD 3.83Å; L778-M838 HydrophobicContact CD2-CE 4.26Å; F834-M838 WeakPolarHBondContact O-CG 3.37Å; F834-M838 PolarHBondContact O-N 3.5Å; I835-M838 PolarHBondContact O-N 3.15Å
839	S	64.9	Low	63.7	Low	44 Å²	44	73.9 Å²	73.9	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-83.3	-17.1	-178.9	66	0	0	0	0	115.6	K741 I835 D836 F837	K741-S839 PolarHBondContact NZ-OG 2.86Å; I835-S839 PolarHBondContact O-N 3.1Å; I835-S839 PolarHBondContact O-OG 2.82Å; D836-S839 PolarHBondContact O-OG 3.35Å; F837-S839 PolarHBondContact O-N 3.18Å; F837-S839 VanDerWaalsContact O-N 3.09Å
840	R	65.4	Low	63.4	Low	185 Å²	185	79.5 Å²	79.5	70%	0.698	44%	0.438	S	S	*	.	H	α-helix	trans	-88.7	-23.2	-170.3	-89.9	-178.9	174.6	174.6	-0.2	115.7	F837 T842	F837-R840 PolarHBondContact O-N 3.09Å; F837-R840 VanDerWaalsContact O-N 3.16Å; R840-T842 PolarHBondContact O-N 3.24Å; R840-T842 VanDerWaalsContact O-N 3.09Å
841	E	61.1	Low	63	Low	128 Å²	128	78.5 Å²	78.5	60%	0.598	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	7	-173.7	-91.6	-153.5	153.8	0	0	116	Y780	Y780-E841 WeakPolarHBondContact CE1-OE2 3.32Å; Y780-E841 PolarHBondContact OH-OE2 3.2Å
842	T	55.3	Low	62.9	Low	126 Å²	126	79.9 Å²	79.9	77%	0.773	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	14.5	-166.9	45.3	0	0	0	0	117.2	R840	R840-T842 PolarHBondContact O-N 3.24Å; R840-T842 VanDerWaalsContact O-N 3.09Å
843	A	51.4	Low	62.9	Low	97 Å²	97	80 Å²	80	80%	0.802	45%	0.449	S	S	*	.			trans	-146.1	145.5	-177.3	0	0	0	0	0	118
844	D	40	Very low	63	Low	170 Å²	170	82.2 Å²	82.2	91%	0.909	46%	0.464	S	S	*	.			trans	-104.9	153.9	-177.8	-96.7	-22.5	0	0	0	115.4
845	T	51.7	Low	63.3	Low	144 Å²	144	83 Å²	83	88%	0.883	47%	0.468	S	S	*	.			trans	-146.1	153.2	178.5	29.2	0	0	0	0	117.1
846	D	48.6	Very low	63.4	Low	140 Å²	140	87 Å²	87	75%	0.749	49%	0.485	S	S	*	.			trans	-84.2	162.1	-173	-71.5	-41.3	0	0	0	118
847	T	62.2	Low	63.6	Low	93 Å²	93	91 Å²	91	57%	0.571	50%	0.504	S	S	*	.			trans	-115.3	162.4	-168	59.5	0	0	0	0	119.4	D849	T847-D849 PolarHBondContact O-N 3.07Å
848	A	60.6	Low	63.9	Low	27 Å²	27	92.7 Å²	92.7	22%	0.223	51%	0.514	C	S	.	.	H	α-helix	trans	-54	-40.7	-174	0	0	0	0	0	117.3	Q850 V851 M852 Y909	A848-Q850 VanDerWaalsContact C-N 3.28Å; A848-Q850 PolarHBondContact O-N 3.38Å; A848-V851 PolarHBondContact O-N 3.4Å; A848-V851 VanDerWaalsContact O-N 3.16Å; A848-M852 PolarHBondContact O-N 3.34Å; A848-Y909 HydrophobicContact CB-CD2 4.35Å; A848-Y909 HydrophobicContact CB-CG 4.04Å
849	D	62.1	Low	64.2	Low	122 Å²	122	90.4 Å²	90.4	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-66.4	-30.4	-171.1	-74.2	-39.2	0	0	0	112.7	T847 V851 M852 A853	T847-D849 PolarHBondContact O-N 3.07Å; D849-V851 VanDerWaalsContact C-N 3.27Å; D849-V851 PolarHBondContact O-N 3.45Å; D849-M852 PolarHBondContact O-N 3.43Å; D849-A853 PolarHBondContact O-N 3.05Å
850	Q	68.4	Low	64.6	Low	119 Å²	119	90.8 Å²	90.8	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-32.1	177.2	-74.3	-177.3	-10.8	0	0	112.1	A848 S854	A848-Q850 VanDerWaalsContact C-N 3.28Å; A848-Q850 PolarHBondContact O-N 3.38Å; Q850-S854 PolarHBondContact O-N 2.86Å; Q850-S854 PolarHBondContact O-OG 3.16Å; Q850-S854 VanDerWaalsContact O-OG 3.08Å
851	V	68.4	Low	65.1	Low	43 Å²	43	88.2 Å²	88.2	26%	0.261	51%	0.514	S	S	.	.	H	α-helix	trans	-76.3	-38.1	179.4	-178.2	0	0	0	0	111	A848 D849 A853 S854 F855 Y909	A848-V851 PolarHBondContact O-N 3.4Å; A848-V851 VanDerWaalsContact O-N 3.16Å; D849-V851 VanDerWaalsContact C-N 3.27Å; D849-V851 PolarHBondContact O-N 3.45Å; V851-A853 PolarHBondContact O-N 3.26Å; V851-S854 WeakPolarHBondContact O-CB 3.49Å; V851-S854 PolarHBondContact O-N 3.19Å; V851-F855 HydrophobicContact CG1-CD2 4.25Å; V851-F855 HydrophobicContact CG1-CE2 4.03Å; V851-F855 PolarHBondContact O-N 3.02Å; V851-Y909 HydrophobicContact CB-CE2 4.4Å; V851-Y909 HydrophobicContact CG2-CE2 3.8Å
852	M	68.4	Low	65.8	Low	49 Å²	49	86 Å²	86	24%	0.241	50%	0.502	C	S	.	.	H	α-helix	trans	-60.1	-42.9	174	-87.2	-176.3	49.6	0	0	112.9	A848 D849 S854 F855 K856 M902	A848-M852 PolarHBondContact O-N 3.34Å; D849-M852 PolarHBondContact O-N 3.43Å; M852-S854 PolarHBondContact O-N 2.98Å; M852-F855 PolarHBondContact O-N 3.44Å; M852-K856 PolarHBondContact O-N 3.16Å; M852-M902 HydrophobicContact CE-CE 4.28Å; M852-M902 HydrophobicContact CE-CG 4.24Å
853	A	68.3	Low	66.9	Low	57 Å²	57	83.8 Å²	83.8	47%	0.471	49%	0.486	S	S	.	.	H	α-helix	trans	-60.4	-35.8	178.1	0	0	0	0	0	111.9	D849 V851 K856 I857	D849-A853 PolarHBondContact O-N 3.05Å; V851-A853 PolarHBondContact O-N 3.26Å; A853-K856 PolarHBondContact O-N 2.79Å; A853-I857 PolarHBondContact O-N 2.86Å
854	S	74.4	Confident	68.2	Low	65 Å²	65	80.8 Å²	80.8	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-66.6	-42.3	-179.7	-59.1	0	0	0	0	112.3	Q850 V851 M852 K856 I857 L858	Q850-S854 PolarHBondContact O-N 2.86Å; Q850-S854 PolarHBondContact O-OG 3.16Å; Q850-S854 VanDerWaalsContact O-OG 3.08Å; V851-S854 WeakPolarHBondContact O-CB 3.49Å; V851-S854 PolarHBondContact O-N 3.19Å; M852-S854 PolarHBondContact O-N 2.98Å; S854-K856 PolarHBondContact O-N 2.98Å; S854-I857 PolarHBondContact O-N 3.29Å; S854-L858 PolarHBondContact O-N 2.96Å
855	F	78.3	Confident	70.1	Confident	19 Å²	19	72.7 Å²	72.7	8%	0.083	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-30.1	177.9	-80.9	-71.6	0	0	0	113.9	V851 M852 I857 L858 A859 L870 L874 M886 Y901	V851-F855 HydrophobicContact CG1-CD2 4.25Å; V851-F855 HydrophobicContact CG1-CE2 4.03Å; V851-F855 PolarHBondContact O-N 3.02Å; M852-F855 PolarHBondContact O-N 3.44Å; F855-I857 VanDerWaalsContact C-N 3.28Å; F855-I857 PolarHBondContact O-N 2.69Å; F855-L858 HydrophobicContact CD1-CD1 4.27Å; F855-L858 WeakPolarHBondContact O-CB 3.49Å; F855-L858 PolarHBondContact O-N 3.09Å; F855-A859 PolarHBondContact O-N 3.38Å; F855-L870 HydrophobicContact CE1-CD2 4.08Å; F855-L874 HydrophobicContact CE1-CD1 4.21Å; F855-M886 HydrophobicContact CD1-CE 4.14Å; F855-M886 HydrophobicContact CE1-CE 3.71Å; F855-M886 HydrophobicContact CE2-CE 4.32Å; F855-M886 HydrophobicContact CZ-CE 3.81Å; F855-Y901 HydrophobicContact CB-CD1 4.37Å; F855-Y901 HydrophobicContact CB-CD2 3.23Å; F855-Y901 HydrophobicContact CB-CE2 3.74Å; F855-Y901 HydrophobicContact CB-CG 3.61Å; F855-Y901 HydrophobicContact CG-CD2 4.15Å; F855-Y901 HydrophobicContact CG-CG 4.25Å
856	K	74.1	Confident	71.6	Confident	84 Å²	84	67.1 Å²	67.1	37%	0.365	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-34.2	176.5	-165.7	166.5	-171.5	179.5	0	112.8	M852 A853 S854 D861 Y901	M852-K856 PolarHBondContact O-N 3.16Å; A853-K856 PolarHBondContact O-N 2.79Å; S854-K856 PolarHBondContact O-N 2.98Å; K856-D861 PolarHBondContact O-N 3.29Å; K856-Y901 VanDerWaalsContact CA-OH 3.3Å; K856-Y901 WeakPolarHBondContact CA-OH 3.43Å; K856-Y901 HydrophobicContact CB-CE2 4.21Å; K856-Y901 WeakPolarHBondContact CB-OH 3.43Å; K856-Y901 WeakPolarHBondContact CG-OH 3.4Å
857	I	75.1	Confident	73.1	Confident	135 Å²	135	62 Å²	62	69%	0.692	35%	0.35	S	S	*	.	H	α-helix	trans	-67.3	-44.6	173.4	-62	168.2	0	0	0	110.3	A853 S854 F855 A859 G860	A853-I857 PolarHBondContact O-N 2.86Å; S854-I857 PolarHBondContact O-N 3.29Å; F855-I857 VanDerWaalsContact C-N 3.28Å; F855-I857 PolarHBondContact O-N 2.69Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.19Å; I857-G860 PolarHBondContact O-N 3.21Å
858	L	75.9	Confident	73.9	Confident	51 Å²	51	63.2 Å²	63.2	27%	0.267	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-33.6	178.4	-83.9	146.2	0	0	0	113.3	S854 F855 G860 I865 E873	S854-L858 PolarHBondContact O-N 2.96Å; F855-L858 HydrophobicContact CD1-CD1 4.27Å; F855-L858 WeakPolarHBondContact O-CB 3.49Å; F855-L858 PolarHBondContact O-N 3.09Å; L858-G860 VanDerWaalsContact C-N 3.29Å; L858-G860 PolarHBondContact O-N 3.46Å; L858-I865 HydrophobicContact CB-CD1 3.85Å; L858-E873 HydrophobicContact CD2-CB 3.23Å; L858-E873 HydrophobicContact CD2-CG 3.82Å
859	A	73.3	Confident	74.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.5	179.6	0	0	0	0	0	114.8	F855 I857 K862 Y864 I865 Y901	F855-A859 PolarHBondContact O-N 3.38Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.19Å; A859-K862 WeakPolarHBondContact CB-O 3.34Å; A859-K862 WeakPolarHBondContact O-CB 3.45Å; A859-K862 WeakPolarHBondContact O-CG 3.11Å; A859-K862 PolarHBondContact O-N 3.17Å; A859-Y864 WeakPolarHBondContact CB-O 3.47Å; A859-I865 HydrophobicContact CB-CB 4.09Å; A859-I865 HydrophobicContact CB-CD1 4.46Å; A859-I865 HydrophobicContact CB-CG1 4.32Å; A859-Y901 HydrophobicContact CB-CD1 4.43Å; A859-Y901 HydrophobicContact CB-CE1 3.68Å
860	G	73.4	Confident	75.6	Confident	52 Å²	52	57.8 Å²	57.8	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	46.4	-176.6	0	0	0	0	0	112.8	I857 L858 K862	I857-G860 PolarHBondContact O-N 3.21Å; L858-G860 VanDerWaalsContact C-N 3.29Å; L858-G860 PolarHBondContact O-N 3.46Å; G860-K862 PolarHBondContact O-N 3.04Å; G860-K862 VanDerWaalsContact O-N 3.12Å
861	D	75.3	Confident	76.3	Confident	132 Å²	132	58.2 Å²	58.2	71%	0.706	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	13.4	-177.5	-78.2	-36.9	0	0	0	115.7	K856	K856-D861 PolarHBondContact O-N 3.29Å
862	K	77.3	Confident	76.9	Confident	80 Å²	80	65.1 Å²	65.1	35%	0.348	34%	0.337	S	S	.	.			trans	-85	147	169.4	-56.1	172.3	-147.4	154.1	0	109.7	A859 G860 Y864 E869 Y901	A859-K862 WeakPolarHBondContact CB-O 3.34Å; A859-K862 WeakPolarHBondContact O-CB 3.45Å; A859-K862 WeakPolarHBondContact O-CG 3.11Å; A859-K862 PolarHBondContact O-N 3.17Å; G860-K862 PolarHBondContact O-N 3.04Å; G860-K862 VanDerWaalsContact O-N 3.12Å; K862-Y864 HydrophobicContact CB-CD1 4.38Å; K862-Y864 HydrophobicContact CB-CE1 4.33Å; K862-Y864 HydrophobicContact CD-CE2 4.07Å; K862-Y864 PolarHBondContact O-N 2.86Å; K862-Y864 VanDerWaalsContact O-N 3.11Å; K862-E869 IonicContact NZ-OE1 2.67Å; K862-E869 PolarHBondContact NZ-OE1 3.32Å; K862-Y901 PolarHBondContact O-OH 3.37Å
863	N	77	Confident	77.4	Confident	81 Å²	81	67.2 Å²	67.2	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	-77.1	11.2	176.4	-63.3	-32.9	0	0	0	113.5	Y889	N863-Y889 HydrophobicContact CB-CE2 4.49Å; N863-Y889 WeakPolarHBondContact O-CE2 3.1Å
864	Y	79.3	Confident	77.8	Confident	34 Å²	34	66.6 Å²	66.6	13%	0.133	34%	0.335	C	S	.	.			trans	-143.8	150.5	176.9	63.7	-97.1	0	0	0	109	A859 K862 T866 Y889 V895 A898 L899	A859-Y864 WeakPolarHBondContact CB-O 3.47Å; K862-Y864 HydrophobicContact CB-CD1 4.38Å; K862-Y864 HydrophobicContact CB-CE1 4.33Å; K862-Y864 HydrophobicContact CD-CE2 4.07Å; K862-Y864 PolarHBondContact O-N 2.86Å; K862-Y864 VanDerWaalsContact O-N 3.11Å; Y864-T866 HydrophobicContact CD2-CG2 4.38Å; Y864-T866 HydrophobicContact CE2-CG2 4.26Å; Y864-Y889 AromaticContact CD1-CD1 3.78Å; Y864-Y889 HydrophobicContact CD1-CD1 3.78Å; Y864-Y889 AromaticContact CD1-CE1 3.7Å; Y864-Y889 HydrophobicContact CD1-CE1 3.7Å; Y864-Y889 AromaticContact CG-CD1 3.94Å; Y864-Y889 HydrophobicContact CG-CD1 3.94Å; Y864-Y889 HydrophobicContact CG-CE1 4.29Å; Y864-Y889 HydrophobicContact CG-CG 4.39Å; Y864-V895 HydrophobicContact CD2-CG2 4.41Å; Y864-V895 HydrophobicContact CE2-CG2 3.58Å; Y864-A898 HydrophobicContact CD2-CB 3.5Å; Y864-A898 VanDerWaalsContact CD2-CB 3.5Å; Y864-A898 HydrophobicContact CE2-CB 4.15Å; Y864-A898 HydrophobicContact CG-CB 3.9Å; Y864-L899 WeakPolarHBondContact CA-O 3.36Å
865	I	80.8	Confident	77.8	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	173.8	-163.7	164.7	0	0	0	109.1	L858 A859 E869 L870 M886 L899 Y901	L858-I865 HydrophobicContact CB-CD1 3.85Å; A859-I865 HydrophobicContact CB-CB 4.09Å; A859-I865 HydrophobicContact CB-CD1 4.46Å; A859-I865 HydrophobicContact CB-CG1 4.32Å; I865-E869 HydrophobicContact CD1-CB 4.49Å; I865-E869 HydrophobicContact CG1-CB 3.86Å; I865-L870 HydrophobicContact CD1-CD2 3.8Å; I865-L870 HydrophobicContact CD1-CG 3.92Å; I865-L870 HydrophobicContact CG1-CD2 4.48Å; I865-L870 HydrophobicContact CG1-CG 4.08Å; I865-L870 HydrophobicContact CG2-CD1 3.82Å; I865-L870 HydrophobicContact CG2-CD2 4.28Å; I865-L870 HydrophobicContact CG2-CG 3.91Å; I865-M886 HydrophobicContact CG2-SD 4.34Å; I865-L899 HydrophobicContact CG2-CB 4.35Å; I865-L899 PolarHBondContact N-O 2.84Å; I865-L899 WeakPolarHBondContact O-CA 3.21Å; I865-L899 WeakPolarHBondContact O-CB 3.23Å; I865-L899 PolarHBondContact O-N 3.16Å; I865-Y901 HydrophobicContact CB-CD1 4.04Å; I865-Y901 HydrophobicContact CG2-CD1 3.98Å
866	T	82.3	Confident	77.8	Confident	26 Å²	26	71 Å²	71	16%	0.16	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	153	179.4	57.6	0	0	0	0	111.6	Y864 D868 E869 L870 V895 G897	Y864-T866 HydrophobicContact CD2-CG2 4.38Å; Y864-T866 HydrophobicContact CE2-CG2 4.26Å; T866-D868 PolarHBondContact O-N 3.12Å; T866-E869 PolarHBondContact N-OE2 2.89Å; T866-E869 WeakPolarHBondContact O-CB 3.03Å; T866-E869 PolarHBondContact O-N 2.9Å; T866-E869 WeakPolarHBondContact OG1-CB 3.48Å; T866-E869 WeakPolarHBondContact OG1-CG 3.42Å; T866-E869 PolarHBondContact OG1-N 3.1Å; T866-E869 PolarHBondContact OG1-OE2 3.49Å; T866-L870 PolarHBondContact O-N 3.09Å; T866-V895 HydrophobicContact CG2-CG2 4.18Å; T866-G897 WeakPolarHBondContact CA-O 3.45Å
867	V	80.7	Confident	77.8	Confident	32 Å²	32	72.2 Å²	72.2	19%	0.194	37%	0.374	C	S	.	.	H	α-helix	trans	-52.6	-40.4	175.5	169.6	0	0	0	0	111.8	L870 R871 I883 G897 L899	V867-L870 PolarHBondContact O-N 3.17Å; V867-R871 PolarHBondContact O-N 3.22Å; V867-I883 HydrophobicContact CB-CD1 4.48Å; V867-I883 HydrophobicContact CG1-CD1 3.7Å; V867-I883 HydrophobicContact CG1-CG1 4.21Å; V867-I883 HydrophobicContact CG2-CG1 4.31Å; V867-I883 HydrophobicContact CG2-CG2 4.17Å; V867-G897 PolarHBondContact N-O 2.72Å; V867-G897 VanDerWaalsContact N-O 3.15Å; V867-L899 HydrophobicContact CG2-CD1 3.7Å; V867-L899 HydrophobicContact CG2-CG 4.17Å
868	D	79.8	Confident	77.8	Confident	120 Å²	120	70.3 Å²	70.3	64%	0.642	36%	0.362	S	S	*	.	H	α-helix	trans	-71.1	-34.2	178.7	-66.7	-35.8	0	0	0	112.4	T866 R872	T866-D868 PolarHBondContact O-N 3.12Å; D868-R872 VanDerWaalsContact O-CB 3.28Å; D868-R872 WeakPolarHBondContact O-CB 3.44Å; D868-R872 PolarHBondContact O-N 2.89Å
869	E	79.6	Confident	77.9	Confident	35 Å²	35	67.9 Å²	67.9	16%	0.164	35%	0.35	C	S	.	.	H	α-helix	trans	-64.9	-44.6	172.3	-76.8	161.7	163.1	0	0	110.9	K862 I865 T866 R872 E873	K862-E869 IonicContact NZ-OE1 2.67Å; K862-E869 PolarHBondContact NZ-OE1 3.32Å; I865-E869 HydrophobicContact CD1-CB 4.49Å; I865-E869 HydrophobicContact CG1-CB 3.86Å; T866-E869 PolarHBondContact N-OE2 2.89Å; T866-E869 WeakPolarHBondContact O-CB 3.03Å; T866-E869 PolarHBondContact O-N 2.9Å; T866-E869 WeakPolarHBondContact OG1-CB 3.48Å; T866-E869 WeakPolarHBondContact OG1-CG 3.42Å; T866-E869 PolarHBondContact OG1-N 3.1Å; T866-E869 PolarHBondContact OG1-OE2 3.49Å; E869-R872 PolarHBondContact O-N 2.88Å; E869-E873 WeakPolarHBondContact O-CG 3.38Å; E869-E873 PolarHBondContact O-N 3.06Å
870	L	78.2	Confident	78.3	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-62.4	-45.3	175.9	-79.1	168.5	0	0	0	112.5	F855 I865 T866 V867 R872 L874 A879 C882 I883 M886 L899	F855-L870 HydrophobicContact CE1-CD2 4.08Å; I865-L870 HydrophobicContact CD1-CD2 3.8Å; I865-L870 HydrophobicContact CD1-CG 3.92Å; I865-L870 HydrophobicContact CG1-CD2 4.48Å; I865-L870 HydrophobicContact CG1-CG 4.08Å; I865-L870 HydrophobicContact CG2-CD1 3.82Å; I865-L870 HydrophobicContact CG2-CD2 4.28Å; I865-L870 HydrophobicContact CG2-CG 3.91Å; T866-L870 PolarHBondContact O-N 3.09Å; V867-L870 PolarHBondContact O-N 3.17Å; L870-R872 PolarHBondContact O-N 3.47Å; L870-L874 HydrophobicContact CD2-CD1 3.67Å; L870-L874 WeakPolarHBondContact O-CB 3.45Å; L870-L874 PolarHBondContact O-N 2.95Å; L870-A879 WeakPolarHBondContact O-CB 3.45Å; L870-C882 HydrophobicContact CD1-CB 4.24Å; L870-C882 HydrophobicContact CD2-CB 4.28Å; L870-I883 HydrophobicContact CB-CG1 4.44Å; L870-I883 HydrophobicContact CD1-CG1 4Å; L870-M886 HydrophobicContact CD1-SD 3.91Å; L870-L899 HydrophobicContact CD1-CD1 3.78Å
871	R	82.7	Confident	78.5	Confident	128 Å²	128	74.2 Å²	74.2	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-23.7	177.5	-76.8	-178.2	176.1	155.3	-0.4	113.5	V867 A879 E880 I883	V867-R871 PolarHBondContact O-N 3.22Å; R871-A879 HydrophobicContact CG-CB 4.13Å; R871-E880 IonicContact CZ-OE1 3.95Å; R871-E880 IonicContact NE-OE1 2.83Å; R871-E880 PolarHBondContact NE-OE1 3.13Å; R871-E880 IonicContact NH2-OE1 3.82Å; R871-E880 PolarHBondContact NH2-OE1 3.27Å; R871-E880 IonicContact NH2-OE2 3.67Å; R871-I883 HydrophobicContact CG-CD1 3.83Å
872	R	80.9	Confident	78.6	Confident	187 Å²	187	68.3 Å²	68.3	71%	0.706	33%	0.331	S	S	*	.	H	α-helix	trans	-82.4	-41	178.2	-166.3	-178.3	79.1	-167.5	1.5	112.3	D868 E869 L870	D868-R872 VanDerWaalsContact O-CB 3.28Å; D868-R872 WeakPolarHBondContact O-CB 3.44Å; D868-R872 PolarHBondContact O-N 2.89Å; E869-R872 PolarHBondContact O-N 2.88Å; L870-R872 PolarHBondContact O-N 3.47Å
873	E	79.5	Confident	78.8	Confident	94 Å²	94	66 Å²	66	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-97.1	-20.7	-170.5	-56.9	-63	153.9	0	0	113.8	L858 E869	L858-E873 HydrophobicContact CD2-CB 3.23Å; L858-E873 HydrophobicContact CD2-CG 3.82Å; E869-E873 WeakPolarHBondContact O-CG 3.38Å; E869-E873 PolarHBondContact O-N 3.06Å
874	L	76.3	Confident	78.9	Confident	43 Å²	43	66.3 Å²	66.3	23%	0.225	34%	0.336	C	S	.	.	S	Bend	trans	-109.9	153	177.2	-66.8	173.6	0	0	0	112.5	F855 L870 A879	F855-L874 HydrophobicContact CE1-CD1 4.21Å; L870-L874 HydrophobicContact CD2-CD1 3.67Å; L870-L874 WeakPolarHBondContact O-CB 3.45Å; L870-L874 PolarHBondContact O-N 2.95Å; L874-A879 HydrophobicContact CB-CB 4.17Å
875	P	74.3	Confident	78.9	Confident	74 Å²	74	72.8 Å²	72.8	48%	0.481	36%	0.36	S	S	.	.			trans	-54	146.6	169.5	-24.7	34.4	0	0	0	112	D877 Q878 A879	P875-D877 VanDerWaalsContact C-N 3.3Å; P875-D877 WeakPolarHBondContact CB-OD1 3.33Å; P875-D877 PolarHBondContact O-N 2.93Å; P875-D877 VanDerWaalsContact O-N 3.16Å; P875-Q878 PolarHBondContact O-N 3.37Å; P875-A879 PolarHBondContact O-N 2.9Å
876	P	78	Confident	78.9	Confident	103 Å²	103	73.2 Å²	73.2	67%	0.669	36%	0.362	S	S	*	.	H	α-helix	trans	-57.7	-38.5	-166.2	-23.1	31.9	0	0	0	114.4	E880	P876-E880 WeakPolarHBondContact O-CB 3.18Å; P876-E880 WeakPolarHBondContact O-CG 3.46Å; P876-E880 PolarHBondContact O-N 3.15Å
877	D	73.7	Confident	78.7	Confident	109 Å²	109	74.2 Å²	74.2	58%	0.583	37%	0.373	S	S	*	.	H	α-helix	trans	-67.3	-40	177.9	51.6	-33.8	0	0	0	112.7	P875 Y881	P875-D877 VanDerWaalsContact C-N 3.3Å; P875-D877 WeakPolarHBondContact CB-OD1 3.33Å; P875-D877 PolarHBondContact O-N 2.93Å; P875-D877 VanDerWaalsContact O-N 3.16Å; D877-Y881 WeakPolarHBondContact O-CB 3.23Å; D877-Y881 PolarHBondContact O-N 3.12Å; D877-Y881 VanDerWaalsContact O-N 3.1Å
878	Q	76.4	Confident	78.6	Confident	95 Å²	95	77.3 Å²	77.3	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-75.3	-38.2	176.2	-61.6	-61	-26.4	0	0	111.8	P875 Y881 C882	P875-Q878 PolarHBondContact O-N 3.37Å; Q878-Y881 PolarHBondContact O-N 2.5Å; Q878-C882 WeakPolarHBondContact O-CB 3.34Å; Q878-C882 PolarHBondContact O-N 3.41Å; Q878-C882 PolarHBondContact O-SG 3.17Å; Q878-C882 VanDerWaalsContact O-SG 3.42Å
879	A	78.4	Confident	78.6	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-50.2	175.2	0	0	0	0	0	111	L870 R871 L874 P875 Y881 C882 I883	L870-A879 WeakPolarHBondContact O-CB 3.45Å; R871-A879 HydrophobicContact CG-CB 4.13Å; L874-A879 HydrophobicContact CB-CB 4.17Å; P875-A879 PolarHBondContact O-N 2.9Å; A879-Y881 VanDerWaalsContact C-N 3.32Å; A879-Y881 PolarHBondContact O-N 3.48Å; A879-C882 PolarHBondContact O-N 2.93Å; A879-I883 WeakPolarHBondContact O-CB 3.31Å; A879-I883 VanDerWaalsContact O-CD1 3.25Å; A879-I883 WeakPolarHBondContact O-CD1 3.48Å; A879-I883 WeakPolarHBondContact O-CG1 3.49Å; A879-I883 PolarHBondContact O-N 2.85Å
880	E	81.6	Confident	78.1	Confident	87 Å²	87	78.5 Å²	78.5	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-38.7	176.5	-71.6	-58.6	146.7	0	0	112.3	R871 P876 I883 A884	R871-E880 IonicContact CZ-OE1 3.95Å; R871-E880 IonicContact NE-OE1 2.83Å; R871-E880 PolarHBondContact NE-OE1 3.13Å; R871-E880 IonicContact NH2-OE1 3.82Å; R871-E880 PolarHBondContact NH2-OE1 3.27Å; R871-E880 IonicContact NH2-OE2 3.67Å; P876-E880 WeakPolarHBondContact O-CB 3.18Å; P876-E880 WeakPolarHBondContact O-CG 3.46Å; P876-E880 PolarHBondContact O-N 3.15Å; E880-I883 PolarHBondContact O-N 2.94Å; E880-A884 WeakPolarHBondContact O-CB 3.43Å; E880-A884 PolarHBondContact O-N 3.36Å
881	Y	77.2	Confident	77.9	Confident	99 Å²	99	79.2 Å²	79.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-61.7	-46.7	175.5	-178.3	-100.5	0	0	0	112.1	D877 Q878 A879 A884 R885 F904	D877-Y881 WeakPolarHBondContact O-CB 3.23Å; D877-Y881 PolarHBondContact O-N 3.12Å; D877-Y881 VanDerWaalsContact O-N 3.1Å; Q878-Y881 PolarHBondContact O-N 2.5Å; A879-Y881 VanDerWaalsContact C-N 3.32Å; A879-Y881 PolarHBondContact O-N 3.48Å; Y881-A884 PolarHBondContact O-N 2.92Å; Y881-R885 HydrophobicContact CE2-CG 4.32Å; Y881-R885 WeakPolarHBondContact O-CB 3.37Å; Y881-R885 PolarHBondContact O-N 2.97Å; Y881-F904 HydrophobicContact CD1-CZ 4.3Å; Y881-F904 HydrophobicContact CE1-CE2 4.32Å; Y881-F904 AromaticContact CE1-CZ 3.92Å; Y881-F904 HydrophobicContact CE1-CZ 3.92Å
882	C	77.8	Confident	77	Confident	7 Å²	7	79.4 Å²	79.4	5%	0.047	43%	0.428	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175.2	-72.5	0	0	0	0	111.5	L870 Q878 A879 A884 R885 M886	L870-C882 HydrophobicContact CD1-CB 4.24Å; L870-C882 HydrophobicContact CD2-CB 4.28Å; Q878-C882 WeakPolarHBondContact O-CB 3.34Å; Q878-C882 PolarHBondContact O-N 3.41Å; Q878-C882 PolarHBondContact O-SG 3.17Å; Q878-C882 VanDerWaalsContact O-SG 3.42Å; A879-C882 PolarHBondContact O-N 2.93Å; C882-A884 VanDerWaalsContact C-N 3.32Å; C882-A884 PolarHBondContact O-N 3.21Å; C882-R885 PolarHBondContact O-N 3.41Å; C882-M886 HydrophobicContact CB-CE 3.92Å; C882-M886 HydrophobicContact CB-SD 4.07Å; C882-M886 WeakPolarHBondContact O-CB 3.47Å; C882-M886 WeakPolarHBondContact O-CG 3.42Å; C882-M886 PolarHBondContact O-N 3.31Å
883	I	80.7	Confident	76.4	Confident	31 Å²	31	76 Å²	76	16%	0.159	42%	0.424	C	S	.	.	H	α-helix	trans	-61.9	-39.8	178.4	-67.6	157.1	0	0	0	111.8	V867 L870 R871 A879 E880 R885 L899	V867-I883 HydrophobicContact CB-CD1 4.48Å; V867-I883 HydrophobicContact CG1-CD1 3.7Å; V867-I883 HydrophobicContact CG1-CG1 4.21Å; V867-I883 HydrophobicContact CG2-CG1 4.31Å; V867-I883 HydrophobicContact CG2-CG2 4.17Å; L870-I883 HydrophobicContact CB-CG1 4.44Å; L870-I883 HydrophobicContact CD1-CG1 4Å; R871-I883 HydrophobicContact CG-CD1 3.83Å; A879-I883 WeakPolarHBondContact O-CB 3.31Å; A879-I883 VanDerWaalsContact O-CD1 3.25Å; A879-I883 WeakPolarHBondContact O-CD1 3.48Å; A879-I883 WeakPolarHBondContact O-CG1 3.49Å; A879-I883 PolarHBondContact O-N 2.85Å; E880-I883 PolarHBondContact O-N 2.94Å; I883-R885 VanDerWaalsContact C-N 3.3Å; I883-R885 PolarHBondContact O-N 3.35Å; I883-L899 HydrophobicContact CB-CD1 4.28Å; I883-L899 HydrophobicContact CG1-CD1 3.97Å; I883-L899 HydrophobicContact CG2-CD1 4.33Å
884	A	79.4	Confident	75.8	Confident	88 Å²	88	74.3 Å²	74.3	73%	0.727	42%	0.423	S	S	*	.	H	α-helix	trans	-71.1	-24.7	-179.8	0	0	0	0	0	113.5	E880 Y881 C882	E880-A884 WeakPolarHBondContact O-CB 3.43Å; E880-A884 PolarHBondContact O-N 3.36Å; Y881-A884 PolarHBondContact O-N 2.92Å; C882-A884 VanDerWaalsContact C-N 3.32Å; C882-A884 PolarHBondContact O-N 3.21Å
885	R	78.2	Confident	75.6	Confident	170 Å²	170	75.1 Å²	75.1	64%	0.642	43%	0.429	S	S	*	.	H	α-helix	trans	-109.5	-19.7	-173.3	-73	-101.3	-177	157.7	0.2	114.1	Y881 C882 I883 F904	Y881-R885 HydrophobicContact CE2-CG 4.32Å; Y881-R885 WeakPolarHBondContact O-CB 3.37Å; Y881-R885 PolarHBondContact O-N 2.97Å; C882-R885 PolarHBondContact O-N 3.41Å; I883-R885 VanDerWaalsContact C-N 3.3Å; I883-R885 PolarHBondContact O-N 3.35Å; R885-F904 HydrophobicContact CB-CD2 3.77Å; R885-F904 HydrophobicContact CB-CE2 3.44Å; R885-F904 VanDerWaalsContact CB-CE2 3.44Å; R885-F904 HydrophobicContact CG-CE2 4.3Å
886	M	81.9	Confident	75.3	Confident	9 Å²	9	78 Å²	78	4%	0.044	45%	0.448	C	S	.	.	S	Bend	trans	-80.8	135.2	174.8	-72	176.5	178.4	0	0	110.2	F855 I865 L870 C882 L899 F904	F855-M886 HydrophobicContact CD1-CE 4.14Å; F855-M886 HydrophobicContact CE1-CE 3.71Å; F855-M886 HydrophobicContact CE2-CE 4.32Å; F855-M886 HydrophobicContact CZ-CE 3.81Å; I865-M886 HydrophobicContact CG2-SD 4.34Å; L870-M886 HydrophobicContact CD1-SD 3.91Å; C882-M886 HydrophobicContact CB-CE 3.92Å; C882-M886 HydrophobicContact CB-SD 4.07Å; C882-M886 WeakPolarHBondContact O-CB 3.47Å; C882-M886 WeakPolarHBondContact O-CG 3.42Å; C882-M886 PolarHBondContact O-N 3.31Å; M886-L899 HydrophobicContact CB-CB 4.06Å; M886-L899 HydrophobicContact CB-CD1 4.37Å; M886-L899 HydrophobicContact CB-CD2 4.41Å; M886-F904 HydrophobicContact CE-CB 4.11Å; M886-F904 HydrophobicContact CE-CD1 3.32Å; M886-F904 HydrophobicContact CE-CE1 3.89Å; M886-F904 HydrophobicContact CE-CG 3.86Å; M886-F904 HydrophobicContact CG-CB 3.6Å; M886-F904 HydrophobicContact CG-CD1 4.18Å; M886-F904 HydrophobicContact CG-CD2 4.15Å; M886-F904 HydrophobicContact CG-CG 3.72Å
887	A	77.6	Confident	75.1	Confident	48 Å²	48	75.1 Å²	75.1	40%	0.397	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	147.1	177.5	0	0	0	0	0	110.6	L899 D900	A887-L899 CarbonylContact O-C 3.43Å; A887-L899 WeakPolarHBondContact O-CA 3.46Å; A887-D900 PolarHBondContact O-N 3.03Å
888	P	77.9	Confident	75.2	Confident	97 Å²	97	70.2 Å²	70.2	63%	0.63	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.4	174.3	24.8	-31.9	0	0	0	111.9	A898	P888-A898 WeakPolarHBondContact CA-O 3.32Å
889	Y	79.4	Confident	75.5	Confident	46 Å²	46	66.3 Å²	66.3	18%	0.18	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-80.4	122.8	-175.6	-175.2	-103.3	0	0	0	111.9	N863 Y864 S894 A898 D900	N863-Y889 HydrophobicContact CB-CE2 4.49Å; N863-Y889 WeakPolarHBondContact O-CE2 3.1Å; Y864-Y889 AromaticContact CD1-CD1 3.78Å; Y864-Y889 HydrophobicContact CD1-CD1 3.78Å; Y864-Y889 AromaticContact CD1-CE1 3.7Å; Y864-Y889 HydrophobicContact CD1-CE1 3.7Å; Y864-Y889 AromaticContact CG-CD1 3.94Å; Y864-Y889 HydrophobicContact CG-CD1 3.94Å; Y864-Y889 HydrophobicContact CG-CE1 4.29Å; Y864-Y889 HydrophobicContact CG-CG 4.39Å; Y889-S894 WeakPolarHBondContact O-CB 3.45Å; Y889-S894 PolarHBondContact O-OG 3.26Å; Y889-A898 PolarHBondContact N-O 2.88Å; Y889-D900 HydrophobicContact CD2-CB 4.18Å
890	T	71	Confident	75.7	Confident	133 Å²	133	68.3 Å²	68.3	82%	0.816	41%	0.405	S	S	*	.			trans	-106.7	13.6	-172.8	52.1	0	0	0	0	114.7
891	G	72.3	Confident	75.6	Confident	15 Å²	15	64.2 Å²	64.2	16%	0.155	39%	0.385	C	S	.	.	S	Bend	trans	-65	163	179.5	0	0	0	0	0	114.2	D893 S894	G891-D893 PolarHBondContact O-N 3.27Å; G891-S894 WeakPolarHBondContact O-CB 3.18Å; G891-S894 PolarHBondContact O-N 2.86Å
892	P	63.7	Low	75.6	Confident	132 Å²	132	62.7 Å²	62.7	86%	0.857	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.8	-178	22.7	-31.9	0	0	0	114.1	S894	P892-S894 VanDerWaalsContact C-N 3.35Å
893	D	69	Low	75.5	Confident	116 Å²	116	65 Å²	65	62%	0.62	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	11.7	178.2	-44.7	-29.2	0	0	0	112.6	G891 V895	G891-D893 PolarHBondContact O-N 3.27Å; D893-V895 PolarHBondContact O-N 3Å
894	S	67.7	Low	75.3	Confident	58 Å²	58	64.2 Å²	64.2	41%	0.406	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63	126.1	-173.5	-178.1	0	0	0	0	111.5	Y889 G891 P892	Y889-S894 WeakPolarHBondContact O-CB 3.45Å; Y889-S894 PolarHBondContact O-OG 3.26Å; G891-S894 WeakPolarHBondContact O-CB 3.18Å; G891-S894 PolarHBondContact O-N 2.86Å; P892-S894 VanDerWaalsContact C-N 3.35Å
895	V	71	Confident	75	Confident	60 Å²	60	60.1 Å²	60.1	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-103.5	150.8	172.4	-69.8	0	0	0	0	109.9	Y864 T866 D893 G897 A898	Y864-V895 HydrophobicContact CD2-CG2 4.41Å; Y864-V895 HydrophobicContact CE2-CG2 3.58Å; T866-V895 HydrophobicContact CG2-CG2 4.18Å; D893-V895 PolarHBondContact O-N 3Å; V895-G897 PolarHBondContact O-N 3.29Å; V895-G897 VanDerWaalsContact O-N 3.08Å; V895-A898 HydrophobicContact CG2-CB 4.16Å; V895-A898 WeakPolarHBondContact O-CB 3.34Å; V895-A898 PolarHBondContact O-N 2.8Å; V895-A898 VanDerWaalsContact O-N 3.14Å
896	P	68.2	Low	74.6	Confident	134 Å²	134	55.9 Å²	55.9	87%	0.87	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	119.3	178.6	-22.4	32.1	0	0	0	110.9
897	G	73.1	Confident	73.9	Confident	44 Å²	44	59.2 Å²	59.2	45%	0.454	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	11.9	179.5	0	0	0	0	0	116.6	T866 V867 V895	T866-G897 WeakPolarHBondContact CA-O 3.45Å; V867-G897 PolarHBondContact N-O 2.72Å; V867-G897 VanDerWaalsContact N-O 3.15Å; V895-G897 PolarHBondContact O-N 3.29Å; V895-G897 VanDerWaalsContact O-N 3.08Å
898	A	77.8	Confident	73	Confident	5 Å²	5	60.8 Å²	60.8	4%	0.041	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.7	174.1	0	0	0	0	0	113.2	Y864 P888 Y889 V895	Y864-A898 HydrophobicContact CD2-CB 3.5Å; Y864-A898 VanDerWaalsContact CD2-CB 3.5Å; Y864-A898 HydrophobicContact CE2-CB 4.15Å; Y864-A898 HydrophobicContact CG-CB 3.9Å; P888-A898 WeakPolarHBondContact CA-O 3.32Å; Y889-A898 PolarHBondContact N-O 2.88Å; V895-A898 HydrophobicContact CG2-CB 4.16Å; V895-A898 WeakPolarHBondContact O-CB 3.34Å; V895-A898 PolarHBondContact O-N 2.8Å; V895-A898 VanDerWaalsContact O-N 3.14Å
899	L	81.2	Confident	72.4	Confident	13 Å²	13	62 Å²	62	7%	0.068	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.7	-179.7	-64.5	170.6	0	0	0	111.5	Y864 I865 V867 L870 I883 M886 A887	Y864-L899 WeakPolarHBondContact CA-O 3.36Å; I865-L899 HydrophobicContact CG2-CB 4.35Å; I865-L899 PolarHBondContact N-O 2.84Å; I865-L899 WeakPolarHBondContact O-CA 3.21Å; I865-L899 WeakPolarHBondContact O-CB 3.23Å; I865-L899 PolarHBondContact O-N 3.16Å; V867-L899 HydrophobicContact CG2-CD1 3.7Å; V867-L899 HydrophobicContact CG2-CG 4.17Å; L870-L899 HydrophobicContact CD1-CD1 3.78Å; I883-L899 HydrophobicContact CB-CD1 4.28Å; I883-L899 HydrophobicContact CG1-CD1 3.97Å; I883-L899 HydrophobicContact CG2-CD1 4.33Å; M886-L899 HydrophobicContact CB-CB 4.06Å; M886-L899 HydrophobicContact CB-CD1 4.37Å; M886-L899 HydrophobicContact CB-CD2 4.41Å; A887-L899 CarbonylContact O-C 3.43Å; A887-L899 WeakPolarHBondContact O-CA 3.46Å
900	D	84.1	Confident	70.8	Confident	42 Å²	42	61.3 Å²	61.3	23%	0.225	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.2	178.1	-171.3	-10.1	0	0	0	110.8	A887 Y889 M902 S903	A887-D900 PolarHBondContact O-N 3.03Å; Y889-D900 HydrophobicContact CD2-CB 4.18Å; D900-M902 WeakPolarHBondContact OD1-CB 3.13Å; D900-M902 PolarHBondContact OD1-N 2.98Å; D900-S903 PolarHBondContact O-OG 3.17Å; D900-S903 PolarHBondContact OD1-N 3.34Å
901	Y	78.8	Confident	69.8	Low	1 Å²	1	64 Å²	64	0%	0.004	39%	0.387	C	S	.	.	H	α-helix	trans	-84.6	-17.5	177.1	64.5	-97.7	0	0	0	113	F855 K856 A859 K862 I865 F904 S905	F855-Y901 HydrophobicContact CB-CD1 4.37Å; F855-Y901 HydrophobicContact CB-CD2 3.23Å; F855-Y901 HydrophobicContact CB-CE2 3.74Å; F855-Y901 HydrophobicContact CB-CG 3.61Å; F855-Y901 HydrophobicContact CG-CD2 4.15Å; F855-Y901 HydrophobicContact CG-CG 4.25Å; K856-Y901 VanDerWaalsContact CA-OH 3.3Å; K856-Y901 WeakPolarHBondContact CA-OH 3.43Å; K856-Y901 HydrophobicContact CB-CE2 4.21Å; K856-Y901 WeakPolarHBondContact CB-OH 3.43Å; K856-Y901 WeakPolarHBondContact CG-OH 3.4Å; A859-Y901 HydrophobicContact CB-CD1 4.43Å; A859-Y901 HydrophobicContact CB-CE1 3.68Å; K862-Y901 PolarHBondContact O-OH 3.37Å; I865-Y901 HydrophobicContact CB-CD1 4.04Å; I865-Y901 HydrophobicContact CG2-CD1 3.98Å; Y901-F904 PolarHBondContact O-N 3.29Å; Y901-S905 PolarHBondContact O-N 3.34Å; Y901-S905 VanDerWaalsContact O-N 3.15Å; Y901-S905 PolarHBondContact O-OG 3.46Å
902	M	76.9	Confident	67.9	Low	67 Å²	67	68.5 Å²	68.5	33%	0.33	42%	0.415	S	S	.	.	H	α-helix	trans	-68.2	-47.1	-179.5	-78.4	-173.3	158	0	0	110.7	M852 D900 F904 S905 T906	M852-M902 HydrophobicContact CE-CE 4.28Å; M852-M902 HydrophobicContact CE-CG 4.24Å; D900-M902 WeakPolarHBondContact OD1-CB 3.13Å; D900-M902 PolarHBondContact OD1-N 2.98Å; M902-F904 PolarHBondContact O-N 3.38Å; M902-S905 PolarHBondContact O-N 3.32Å; M902-T906 PolarHBondContact O-N 3.2Å; M902-T906 PolarHBondContact O-OG1 3.4Å
903	S	75.5	Confident	66.3	Low	55 Å²	55	70 Å²	70	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-61.2	-32.2	176.7	61	0	0	0	0	112.6	D900 A907	D900-S903 PolarHBondContact O-OG 3.17Å; D900-S903 PolarHBondContact OD1-N 3.34Å; S903-A907 PolarHBondContact O-N 3.14Å
904	F	77.4	Confident	64.5	Low	16 Å²	16	76 Å²	76	7%	0.07	45%	0.447	C	S	.	.	H	α-helix	trans	-72.3	-43.4	-179.2	175.1	-102.7	0	0	0	112.7	Y881 R885 M886 Y901 M902 T906 A907 L908	Y881-F904 HydrophobicContact CD1-CZ 4.3Å; Y881-F904 HydrophobicContact CE1-CE2 4.32Å; Y881-F904 AromaticContact CE1-CZ 3.92Å; Y881-F904 HydrophobicContact CE1-CZ 3.92Å; R885-F904 HydrophobicContact CB-CD2 3.77Å; R885-F904 HydrophobicContact CB-CE2 3.44Å; R885-F904 VanDerWaalsContact CB-CE2 3.44Å; R885-F904 HydrophobicContact CG-CE2 4.3Å; M886-F904 HydrophobicContact CE-CB 4.11Å; M886-F904 HydrophobicContact CE-CD1 3.32Å; M886-F904 HydrophobicContact CE-CE1 3.89Å; M886-F904 HydrophobicContact CE-CG 3.86Å; M886-F904 HydrophobicContact CG-CB 3.6Å; M886-F904 HydrophobicContact CG-CD1 4.18Å; M886-F904 HydrophobicContact CG-CD2 4.15Å; M886-F904 HydrophobicContact CG-CG 3.72Å; Y901-F904 PolarHBondContact O-N 3.29Å; M902-F904 PolarHBondContact O-N 3.38Å; F904-T906 PolarHBondContact O-N 3.1Å; F904-A907 PolarHBondContact O-N 3.45Å; F904-L908 HydrophobicContact CD2-CD1 4.47Å; F904-L908 HydrophobicContact CE1-CD1 4.11Å; F904-L908 HydrophobicContact CE2-CD1 3.75Å; F904-L908 HydrophobicContact CZ-CD1 3.56Å; F904-L908 PolarHBondContact O-N 3.48Å
905	S	72.3	Confident	64.3	Low	1 Å²	1	77 Å²	77	1%	0.007	45%	0.45	C	S	.	.	H	α-helix	trans	-67.4	-35.6	179.3	-62.3	0	0	0	0	112.9	Y901 M902 A907 L908	Y901-S905 PolarHBondContact O-N 3.34Å; Y901-S905 VanDerWaalsContact O-N 3.15Å; Y901-S905 PolarHBondContact O-OG 3.46Å; M902-S905 PolarHBondContact O-N 3.32Å; S905-A907 VanDerWaalsContact C-N 3.34Å; S905-L908 PolarHBondContact O-N 3.14Å
906	T	69.1	Low	64	Low	82 Å²	82	77.8 Å²	77.8	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-67.6	-34.3	173.6	-42.5	0	0	0	0	111.8	M902 F904 L908 G910	M902-T906 PolarHBondContact O-N 3.2Å; M902-T906 PolarHBondContact O-OG1 3.4Å; F904-T906 PolarHBondContact O-N 3.1Å; T906-L908 VanDerWaalsContact C-N 3.32Å; T906-L908 PolarHBondContact O-N 3.32Å; T906-G910 WeakPolarHBondContact O-CA 3.35Å; T906-G910 PolarHBondContact O-N 3.35Å
907	A	67.1	Low	63.7	Low	78 Å²	78	74.7 Å²	74.7	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-72.9	-21.7	176.9	0	0	0	0	0	113.8	S903 F904 S905	S903-A907 PolarHBondContact O-N 3.14Å; F904-A907 PolarHBondContact O-N 3.45Å; S905-A907 VanDerWaalsContact C-N 3.34Å
908	L	60.8	Low	63.2	Low	82 Å²	82	76.5 Å²	76.5	43%	0.429	43%	0.43	S	S	.	.	H	α-helix	trans	-81.6	-25.7	-178	-134.2	93	0	0	0	113.4	F904 S905 T906	F904-L908 HydrophobicContact CD2-CD1 4.47Å; F904-L908 HydrophobicContact CE1-CD1 4.11Å; F904-L908 HydrophobicContact CE2-CD1 3.75Å; F904-L908 HydrophobicContact CZ-CD1 3.56Å; F904-L908 PolarHBondContact O-N 3.48Å; S905-L908 PolarHBondContact O-N 3.14Å; T906-L908 VanDerWaalsContact C-N 3.32Å; T906-L908 PolarHBondContact O-N 3.32Å
909	Y	64.6	Low	62.3	Low	123 Å²	123	81 Å²	81	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-132.9	-3.1	-175.8	-69.5	-83.5	0	0	0	114	A848 V851 E911	A848-Y909 HydrophobicContact CB-CD2 4.35Å; A848-Y909 HydrophobicContact CB-CG 4.04Å; V851-Y909 HydrophobicContact CB-CE2 4.4Å; V851-Y909 HydrophobicContact CG2-CE2 3.8Å; Y909-E911 PolarHBondContact O-N 3.12Å
910	G	45.4	Very low	61	Low	31 Å²	31	85.5 Å²	85.5	32%	0.32	48%	0.48	S	S	.	.	S	Bend	trans	-80.9	116.8	175.9	0	0	0	0	0	111.2	T906 S912	T906-G910 WeakPolarHBondContact O-CA 3.35Å; T906-G910 PolarHBondContact O-N 3.35Å; G910-S912 PolarHBondContact O-N 3.1Å; G910-S912 PolarHBondContact O-OG 3.21Å
911	E	51.1	Low	59.4	Low	189 Å²	189	88.6 Å²	88.6	88%	0.883	50%	0.498	S	S	*	.			trans	-44.6	108.5	162.8	-69.9	177.3	153	0	0	109.2	Y909 D913	Y909-E911 PolarHBondContact O-N 3.12Å; E911-D913 PolarHBondContact O-N 3.3Å
912	S	32.5	Very low	57.9	Low	109 Å²	109	95.4 Å²	95.4	76%	0.762	54%	0.536	S	S	*	.			trans	-86.5	99	169.9	-54.9	0	0	0	0	106.2	G910 L914	G910-S912 PolarHBondContact O-N 3.1Å; G910-S912 PolarHBondContact O-OG 3.21Å; S912-L914 PolarHBondContact O-N 3.49Å
913	D	29.9	Very low	56.3	Low	165 Å²	165	97.8 Å²	97.8	88%	0.882	55%	0.553	S	S	*	*			trans	-41.7	116.6	174.7	-80.4	-41.5	0	0	0	111.8	E911	E911-D913 PolarHBondContact O-N 3.3Å
914	L	29.8	Very low	54.5	Low	242 Å²	242	101.6 Å²	101.6	100%	1.267	57%	0.568	S	S	*	*			trans	-129.1	0	159.1	-120.6	169.4	0	0	0	108.6	S912	S912-L914 PolarHBondContact O-N 3.49Å

Retrieved 914 of 914 residues in 966.1 ms (Link to these results)

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