A0A077Z7Z2_TRITR Loading...

Catenin alpha

AlphaFold DB , UniProt , Accession A0A077Z7Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 904 aa.

						>A0A077Z7Z2_TRITR|A0A077Z7Z2
MPSSDNRANGLVLKWDFRDMEIRSKTVERTLEPLVKQVTTLCATNNERKEAHGKKKVSGVKKAHVLVAAVEKAISMFLEKGAEILNENPEATEQLGNALNEVKSTGRDMVDSSREFAADPTSSSRRATMIKAARALLSSVTRLLIVADMIDVQCIVQRMRDAQSTLDNLNKATSQQEVQERFRDFKRQIENLDHDASRRAADLKDASQCDSIQAARAVLKTTCPMLHTACKAYVRHPEIDPARQNRDFALQQMSKALTNIENVLSGQDISQSNGLYGDAGSLAAALNEFDHRVFVEPSNYSSKAVRPSLEAELERIISGAALIADSTNTRDERKSKIVQECNAVRQALQDLLTEYEKNAGAKEPSEKLDLALASVGHRTKDLRRHLRRAVIDHVSDSFLDTQIPLLLLIDAASRGNMEETEQNARTFLEHAKKLVEVAAMTCKMCSEGDYVKIVNYAAMQVEKLAPQVVNAARLLAARHKSKPAQENMDAFKEAWEERVHLLTLAVDSIITLDDFLAVSEAHIVEDVKNCIQAVVQKDVDLLDHSAGAIRGRSLRVCQVVGAEMEMRPLDAYSNRVKQAVIVLRDSAIPQFARRAEVAVEKISKKPPGQVDVDEFIDVCGLVHKAVQDIRHAVLMNRDPGDIDSDEEYEYEKDSEKASTLGSKQQEDNRRELMQRLPEEEKKKIQEQIDVFKVVQHKFEREVAKWDETGNDIVVLAKYMCMIMLEMTDFTRGRGPLKNTMDVINAAKKISEAGSKLNALAKQIADECVESETKKDLLAYLQRITLYCHQLNITSKVKADVQQVGDELIASALESATSLIQSAKNLLNSVVLTVKSAYIASTKYPSKKAKESSLIVWKMRAPGKKPLVRHDPAPQQARGIIRRASQRRELQPIKILSEFSTAGDV
					

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	29.6	Very low	31.7	Very low	240 Å²	240	136.4 Å²	136.4	100%	1.182	78%	0.777	S	S	*	*				0	92.4	0	-74.9	-75.6	-175	0	0	108.8
2	P	34.6	Very low	31.9	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	77%	0.774	S	S	*	*			trans	-98.9	124.6	153.4	26.1	-10.8	0	0	0	108.5	S4	P2-S4 PolarHBondContact O-N 3.41Å
3	S	34.1	Very low	32.3	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	73%	0.728	S	S	*	*			trans	-53.5	122.3	177.2	35.4	0	0	0	0	112	D5	S3-D5 PolarHBondContact O-N 2.98Å; S3-D5 VanDerWaalsContact O-N 3.11Å
4	S	32.4	Very low	32.6	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	74%	0.735	S	S	*	*			trans	-71.8	85.6	171.6	51.8	0	0	0	0	110.9	P2 N6	P2-S4 PolarHBondContact O-N 3.41Å; S4-N6 PolarHBondContact O-N 3.42Å
5	D	29.8	Very low	33.7	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	71%	0.711	S	S	*	*			trans	-90.4	80.6	159.7	-91.3	-27	0	0	0	108.8	S3	S3-D5 PolarHBondContact O-N 2.98Å; S3-D5 VanDerWaalsContact O-N 3.11Å
6	N	29.2	Very low	34	Very low	162 Å²	162	129.8 Å²	129.8	87%	0.866	71%	0.71	S	S	*	*			trans	-103.8	20.5	171.3	-117.3	10.2	0	0	0	112.3	S4 A8	S4-N6 PolarHBondContact O-N 3.42Å; N6-A8 PolarHBondContact O-N 3.11Å
7	R	26.2	Very low	34.4	Very low	246 Å²	246	128.6 Å²	128.6	93%	0.928	70%	0.697	S	S	*	*			trans	-96.8	60.7	175.9	-73.3	-173.1	175.7	-175.2	-0.9	111.7
8	A	30.3	Very low	34.9	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	71%	0.705	S	S	*	*			trans	-157.5	43.7	171.9	0	0	0	0	0	114	N6	N6-A8 PolarHBondContact O-N 3.11Å
9	N	35.1	Very low	35.8	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	71%	0.709	S	S	*	*			trans	-104.9	64.5	153.6	-84.3	-6.7	0	0	0	107.7
10	G	30.9	Very low	36.9	Very low	51 Å²	51	131.8 Å²	131.8	53%	0.526	69%	0.693	S	S	.	*			trans	-63.8	143.8	172.6	0	0	0	0	0	110.4	V12	G10-V12 PolarHBondContact O-N 2.92Å
11	L	36.7	Very low	38.5	Very low	52 Å²	52	132 Å²	132	27%	0.272	69%	0.691	S	S	.	*			trans	-52.7	94.5	171	-74.3	171.7	0	0	0	110.2	L13 E90	L11-L13 PolarHBondContact O-N 3.44Å; L11-E90 HydrophobicContact CB-CB 4.1Å; L11-E90 HydrophobicContact CD1-CB 3.32Å; L11-E90 HydrophobicContact CD1-CG 4.32Å; L11-E90 WeakPolarHBondContact CD1-OE2 3.48Å; L11-E90 HydrophobicContact CG-CB 3.76Å; L11-E90 HydrophobicContact CG-CG 4.49Å; L11-E90 WeakPolarHBondContact CG-OE2 3.36Å
12	V	33.9	Very low	40.8	Very low	124 Å²	124	122.3 Å²	122.3	75%	0.752	64%	0.643	S	S	*	*			trans	-76.7	99.1	170.7	-179.2	0	0	0	0	107.5	G10 K14	G10-V12 PolarHBondContact O-N 2.92Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 HydrophobicContact CG1-CG 4.5Å; V12-K14 PolarHBondContact O-N 3.14Å
13	L	37.1	Very low	42.9	Very low	33 Å²	33	121 Å²	121	17%	0.173	62%	0.622	C	S	.	*			trans	-71.6	81.5	178.9	-65.7	149.8	0	0	0	110.4	L11 W15 Q94 Q153	L11-L13 PolarHBondContact O-N 3.44Å; L13-W15 PolarHBondContact O-N 3.16Å; L13-Q94 VanDerWaalsContact CB-CD 3.49Å; L13-Q94 HydrophobicContact CD1-CB 4.16Å; L13-Q94 HydrophobicContact CD1-CG 3.59Å; L13-Q153 VanDerWaalsContact CD2-NE2 3.3Å
14	K	37.4	Very low	45.3	Very low	190 Å²	190	115.8 Å²	115.8	83%	0.826	59%	0.586	S	S	*	*			trans	-80.9	89.1	170.7	-93.4	-174.2	174.3	179.6	0	110	V12	V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 HydrophobicContact CG1-CG 4.5Å; V12-K14 PolarHBondContact O-N 3.14Å
15	W	48	Very low	48	Very low	99 Å²	99	114.2 Å²	114.2	38%	0.375	57%	0.565	S	S	.	*			trans	-130.2	140.2	176.2	-55.4	114.8	0	0	0	111.9	L13 F17 M149 Q153	L13-W15 PolarHBondContact O-N 3.16Å; W15-F17 WeakPolarHBondContact O-CD2 3.49Å; W15-F17 WeakPolarHBondContact O-CE2 3.41Å; W15-M149 HydrophobicContact CB-CE 3.9Å; W15-M149 HydrophobicContact CD2-CE 3.42Å; W15-M149 VanDerWaalsContact CD2-CE 3.42Å; W15-M149 HydrophobicContact CE3-CE 4.08Å; W15-M149 HydrophobicContact CG-CE 3.31Å; W15-M149 HydrophobicContact CZ2-CE 4.35Å; W15-Q153 HydrophobicContact CZ2-CG 4.29Å
16	D	38.4	Very low	50.7	Low	130 Å²	130	110.5 Å²	110.5	70%	0.695	55%	0.547	S	S	*	.			trans	-92.6	111.7	172.5	-166.7	-8.9	0	0	0	109.2	R18	D16-R18 PolarHBondContact O-N 3.25Å
17	F	42	Very low	53.4	Low	110 Å²	110	103.1 Å²	103.1	48%	0.482	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	3.9	-168.8	-65.1	-85.1	0	0	0	114.5	W15	W15-F17 WeakPolarHBondContact O-CD2 3.49Å; W15-F17 WeakPolarHBondContact O-CE2 3.41Å
18	R	42.1	Very low	56.2	Low	222 Å²	222	94.4 Å²	94.4	84%	0.838	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.3	-174.5	-67.1	-174.3	-175.2	-151.5	2.2	114.1	D16	D16-R18 PolarHBondContact O-N 3.25Å
19	D	51.8	Low	58.8	Low	149 Å²	149	98.5 Å²	98.5	80%	0.797	48%	0.475	S	S	*	.			trans	-112.5	62.2	-175.9	-66.8	-26.9	0	0	0	112.2	E21	D19-E21 PolarHBondContact O-N 3.36Å
20	M	58.4	Low	61.2	Low	78 Å²	78	93.5 Å²	93.5	38%	0.384	45%	0.45	S	S	.	.			trans	-71.8	71	176.5	-73.6	-179	57.9	0	0	112.4	R142 I145	M20-R142 HydrophobicContact CE-CB 3.56Å; M20-R142 HydrophobicContact CE-CG 3.6Å; M20-R142 HydrophobicContact SD-CG 4.14Å; M20-I145 HydrophobicContact CB-CD1 3.86Å; M20-I145 HydrophobicContact CE-CD1 3.67Å; M20-I145 HydrophobicContact CG-CD1 4.47Å
21	E	70.3	Confident	63.7	Low	137 Å²	137	92 Å²	92	64%	0.64	43%	0.43	S	S	*	.			trans	-86.8	135.2	175.3	-169.9	177.6	-167.9	0	0	112	D19 R23	D19-E21 PolarHBondContact O-N 3.36Å; E21-R23 PolarHBondContact O-N 3.48Å
22	I	78.2	Confident	65.8	Low	37 Å²	37	94 Å²	94	19%	0.19	44%	0.438	C	S	.	.			trans	-76.6	109.3	172.5	-58.3	171.9	0	0	0	109.3	S24 V27 E28 L31 T141 I145 K204	I22-S24 WeakPolarHBondContact CG2-O 3.34Å; I22-V27 HydrophobicContact CD1-CG1 4.3Å; I22-V27 HydrophobicContact CG1-CG1 4.14Å; I22-V27 HydrophobicContact CG2-CB 3.84Å; I22-V27 HydrophobicContact CG2-CG1 3.65Å; I22-E28 HydrophobicContact CG2-CG 3.61Å; I22-L31 HydrophobicContact CD1-CD2 4.4Å; I22-T141 HydrophobicContact CD1-CG2 4.33Å; I22-T141 HydrophobicContact CG1-CG2 4.48Å; I22-I145 HydrophobicContact CG1-CD1 4.46Å; I22-K204 WeakPolarHBondContact O-CD 3.24Å; I22-K204 PolarHBondContact O-NZ 3.4Å; I22-K204 VanDerWaalsContact O-NZ 3.08Å
23	R	79.5	Confident	68	Low	98 Å²	98	91.2 Å²	91.2	37%	0.37	42%	0.423	S	S	.	.			trans	-95.3	-22.7	-179	-64.4	-174.4	178.6	-178.4	1.1	114.6	E21 K204 G266	E21-R23 PolarHBondContact O-N 3.48Å; R23-K204 WeakPolarHBondContact O-CB 3.25Å; R23-K204 WeakPolarHBondContact O-CG 3.15Å; R23-K204 PolarHBondContact O-N 3.37Å; R23-G266 VanDerWaalsContact NH1-CA 3.3Å
24	S	84.7	Confident	70	Confident	1 Å²	1	89.8 Å²	89.8	1%	0.007	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-105.3	144.3	-177.5	44.6	0	0	0	0	113.2	I22 T26 V27 D148 D202	I22-S24 WeakPolarHBondContact CG2-O 3.34Å; S24-T26 VanDerWaalsContact C-N 3.3Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; S24-D148 VanDerWaalsContact CB-OD1 3.23Å; S24-D148 WeakPolarHBondContact CB-OD1 3.48Å; S24-D148 PolarHBondContact OG-OD1 3.34Å; S24-D202 WeakPolarHBondContact CA-O 3.4Å; S24-D202 WeakPolarHBondContact CB-OD2 3.48Å
25	K	87.8	Confident	72	Confident	79 Å²	79	83.3 Å²	83.3	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-33.7	173.3	-65.6	165.8	-169.8	153.1	0	110.8	V27 E28 R29 A201 D202 L203 K204	K25-V27 PolarHBondContact O-N 2.94Å; K25-E28 PolarHBondContact O-N 3.1Å; K25-R29 WeakPolarHBondContact O-CG 3.18Å; K25-R29 PolarHBondContact O-N 3.36Å; K25-A201 PolarHBondContact NZ-O 3Å; K25-D202 WeakPolarHBondContact CG-O 3.05Å; K25-D202 PolarHBondContact N-O 3.18Å; K25-D202 PolarHBondContact N-OD1 2.94Å; K25-L203 WeakPolarHBondContact CE-O 3.38Å; K25-L203 PolarHBondContact NZ-O 2.86Å; K25-L203 VanDerWaalsContact NZ-O 3.08Å; K25-K204 HydrophobicContact CG-CG 4.05Å
26	T	87.4	Confident	73.3	Confident	72 Å²	72	84.3 Å²	84.3	44%	0.442	40%	0.399	S	S	.	.	H	α-helix	trans	-62.3	-40.6	179.1	-64.2	0	0	0	0	112.2	S24 E28 R29 T30 D202	S24-T26 VanDerWaalsContact C-N 3.3Å; T26-E28 PolarHBondContact O-N 3.44Å; T26-R29 PolarHBondContact O-N 3.1Å; T26-T30 VanDerWaalsContact O-CB 3.31Å; T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.45Å; T26-T30 PolarHBondContact O-OG1 3.32Å; T26-D202 VanDerWaalsContact CB-OD1 3.25Å; T26-D202 WeakPolarHBondContact CB-OD1 3.11Å; T26-D202 PolarHBondContact N-OD1 3.45Å; T26-D202 PolarHBondContact OG1-OD1 3.48Å
27	V	86	Confident	75.1	Confident	8 Å²	8	80.8 Å²	80.8	5%	0.048	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-43.9	175.4	168.8	0	0	0	0	111.1	I22 S24 K25 T30 L31 L144 D148	I22-V27 HydrophobicContact CD1-CG1 4.3Å; I22-V27 HydrophobicContact CG1-CG1 4.14Å; I22-V27 HydrophobicContact CG2-CB 3.84Å; I22-V27 HydrophobicContact CG2-CG1 3.65Å; S24-V27 WeakPolarHBondContact OG-CG2 3.37Å; K25-V27 PolarHBondContact O-N 2.94Å; V27-T30 PolarHBondContact O-N 2.94Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 PolarHBondContact O-N 3.48Å; V27-L144 HydrophobicContact CG1-CB 3.92Å; V27-L144 HydrophobicContact CG1-CD1 4.28Å; V27-L144 HydrophobicContact CG2-CB 4.23Å; V27-D148 HydrophobicContact CG2-CB 4.14Å
28	E	83.5	Confident	76.8	Confident	63 Å²	63	75.7 Å²	75.7	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-48.3	176.7	-64.5	-172.5	151.7	0	0	111.9	I22 K25 T26 T30 L31 E32 K204	I22-E28 HydrophobicContact CG2-CG 3.61Å; K25-E28 PolarHBondContact O-N 3.1Å; T26-E28 PolarHBondContact O-N 3.44Å; E28-T30 VanDerWaalsContact C-N 3.28Å; E28-T30 PolarHBondContact O-N 3.39Å; E28-L31 PolarHBondContact O-N 3.38Å; E28-E32 WeakPolarHBondContact O-CB 3.18Å; E28-E32 PolarHBondContact O-N 3.36Å; E28-K204 VanDerWaalsContact OE1-CE 3.25Å; E28-K204 WeakPolarHBondContact OE1-CE 3.37Å; E28-K204 IonicContact OE1-NZ 3.24Å; E28-K204 PolarHBondContact OE1-NZ 3.17Å
29	R	85.6	Confident	78.4	Confident	172 Å²	172	69.1 Å²	69.1	65%	0.649	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-35.8	178.6	-71.8	174.7	-179.3	178.8	-0.3	112.4	K25 T26 P33	K25-R29 WeakPolarHBondContact O-CG 3.18Å; K25-R29 PolarHBondContact O-N 3.36Å; T26-R29 PolarHBondContact O-N 3.1Å; R29-P33 WeakPolarHBondContact O-CD 3.49Å
30	T	86	Confident	79.4	Confident	58 Å²	58	65.6 Å²	65.6	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-75.3	-35	179.5	-55.1	0	0	0	0	111.9	T26 V27 E28 P33 F77 L144	T26-T30 VanDerWaalsContact O-CB 3.31Å; T26-T30 WeakPolarHBondContact O-CB 3.29Å; T26-T30 PolarHBondContact O-N 3.45Å; T26-T30 PolarHBondContact O-OG1 3.32Å; V27-T30 PolarHBondContact O-N 2.94Å; E28-T30 VanDerWaalsContact C-N 3.28Å; E28-T30 PolarHBondContact O-N 3.39Å; T30-P33 WeakPolarHBondContact O-CD 3.47Å; T30-F77 HydrophobicContact CG2-CE1 3.85Å; T30-F77 HydrophobicContact CG2-CZ 4.14Å; T30-L144 HydrophobicContact CG2-CD1 4.18Å; T30-L144 HydrophobicContact CG2-CD2 3.94Å
31	L	83.8	Confident	80	Confident	19 Å²	19	62 Å²	62	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-76.7	-29.8	178.8	-175	62.5	0	0	0	112.7	I22 V27 E28 L34 V35 V140 T141 L144	I22-L31 HydrophobicContact CD1-CD2 4.4Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 PolarHBondContact O-N 3.48Å; E28-L31 PolarHBondContact O-N 3.38Å; L31-L34 PolarHBondContact O-N 2.95Å; L31-V35 HydrophobicContact CD1-CG2 4.14Å; L31-V35 HydrophobicContact CD2-CG2 4.34Å; L31-V35 HydrophobicContact CG-CG2 3.75Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.22Å; L31-V140 HydrophobicContact CD1-CG1 4.12Å; L31-T141 WeakPolarHBondContact CD2-OG1 3.35Å; L31-L144 HydrophobicContact CB-CD1 4.12Å
32	E	79.1	Confident	79.9	Confident	94 Å²	94	56.8 Å²	56.8	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-53	-47.2	-173.4	-174.6	-173.1	175.3	0	0	114.7	E28 L34 V35 K36	E28-E32 WeakPolarHBondContact O-CB 3.18Å; E28-E32 PolarHBondContact O-N 3.36Å; E32-L34 PolarHBondContact O-N 2.81Å; E32-V35 PolarHBondContact O-N 2.8Å; E32-K36 HydrophobicContact CG-CD 4.2Å; E32-K36 WeakPolarHBondContact O-CG 3.22Å; E32-K36 PolarHBondContact O-N 3.41Å; E32-K36 VanDerWaalsContact OE1-CE 3.27Å; E32-K36 WeakPolarHBondContact OE1-CE 3.39Å; E32-K36 IonicContact OE1-NZ 3.41Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å
33	P	80.5	Confident	79.4	Confident	66 Å²	66	56.7 Å²	56.7	43%	0.429	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-39.6	179.8	-21.9	34.1	0	0	0	112.8	R29 T30 K36 Q37	R29-P33 WeakPolarHBondContact O-CD 3.49Å; T30-P33 WeakPolarHBondContact O-CD 3.47Å; P33-K36 PolarHBondContact O-N 2.94Å; P33-Q37 VanDerWaalsContact O-CG 3.27Å; P33-Q37 WeakPolarHBondContact O-CG 3.49Å; P33-Q37 PolarHBondContact O-N 2.59Å
34	L	79.5	Confident	78.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-44.7	179	-177.7	66.1	0	0	0	110.7	L31 E32 K36 Q37 V38 A73 F77 L137 V140	L31-L34 PolarHBondContact O-N 2.95Å; E32-L34 PolarHBondContact O-N 2.81Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.75Å; L34-Q37 PolarHBondContact O-N 3.16Å; L34-V38 HydrophobicContact CD1-CG2 4.06Å; L34-V38 HydrophobicContact CG-CG2 4.26Å; L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.68Å; L34-A73 HydrophobicContact CD1-CB 4.24Å; L34-F77 HydrophobicContact CD2-CE2 4.09Å; L34-L137 HydrophobicContact CD2-CD2 4.1Å; L34-L137 HydrophobicContact CG-CD2 4.05Å; L34-V140 HydrophobicContact CD2-CB 3.96Å; L34-V140 HydrophobicContact CD2-CG1 3.78Å; L34-V140 HydrophobicContact CD2-CG2 3.79Å
35	V	79.3	Confident	76.4	Confident	53 Å²	53	58.4 Å²	58.4	32%	0.321	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-44.6	175.7	171.8	0	0	0	0	110.7	L31 E32 Q37 T39 L137	L31-V35 HydrophobicContact CD1-CG2 4.14Å; L31-V35 HydrophobicContact CD2-CG2 4.34Å; L31-V35 HydrophobicContact CG-CG2 3.75Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.22Å; E32-V35 PolarHBondContact O-N 2.8Å; V35-Q37 PolarHBondContact O-N 2.73Å; V35-T39 WeakPolarHBondContact O-CB 3.47Å; V35-T39 PolarHBondContact O-N 3.46Å; V35-T39 PolarHBondContact O-OG1 3.05Å; V35-L137 HydrophobicContact CG2-CD2 3.81Å
36	K	75.6	Confident	74.3	Confident	121 Å²	121	60.4 Å²	60.4	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-46.3	176.2	-78.2	173.1	170.7	169.3	0	112.1	E32 P33 L34 T40	E32-K36 HydrophobicContact CG-CD 4.2Å; E32-K36 WeakPolarHBondContact O-CG 3.22Å; E32-K36 PolarHBondContact O-N 3.41Å; E32-K36 VanDerWaalsContact OE1-CE 3.27Å; E32-K36 WeakPolarHBondContact OE1-CE 3.39Å; E32-K36 IonicContact OE1-NZ 3.41Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å; P33-K36 PolarHBondContact O-N 2.94Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.75Å; K36-T40 WeakPolarHBondContact O-CB 3.45Å; K36-T40 PolarHBondContact O-N 2.95Å; K36-T40 PolarHBondContact O-OG1 3.3Å
37	Q	76.7	Confident	72.1	Confident	55 Å²	55	63.3 Å²	63.3	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-48.6	-179.7	-71.9	172.1	15.3	0	0	112.2	P33 L34 V35 T40 L41 V70	P33-Q37 VanDerWaalsContact O-CG 3.27Å; P33-Q37 WeakPolarHBondContact O-CG 3.49Å; P33-Q37 PolarHBondContact O-N 2.59Å; L34-Q37 PolarHBondContact O-N 3.16Å; V35-Q37 PolarHBondContact O-N 2.73Å; Q37-T40 PolarHBondContact O-N 3.24Å; Q37-L41 PolarHBondContact O-N 3.26Å; Q37-V70 HydrophobicContact CB-CG2 4.35Å
38	V	76.6	Confident	70	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-42.8	179.8	172.2	0	0	0	0	111.2	L34 T40 L41 C42 V70 A133 L137	L34-V38 HydrophobicContact CD1-CG2 4.06Å; L34-V38 HydrophobicContact CG-CG2 4.26Å; L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.68Å; V38-T40 PolarHBondContact O-N 3.5Å; V38-L41 PolarHBondContact O-N 3.01Å; V38-C42 WeakPolarHBondContact O-CB 3.28Å; V38-C42 PolarHBondContact O-N 2.87Å; V38-C42 PolarHBondContact O-SG 3.48Å; V38-V70 HydrophobicContact CG2-CG2 4.46Å; V38-A133 HydrophobicContact CG1-CB 3.45Å; V38-A133 VanDerWaalsContact CG1-CB 3.45Å; V38-L137 HydrophobicContact CB-CD1 4.49Å; V38-L137 HydrophobicContact CB-CD2 4.49Å; V38-L137 HydrophobicContact CG1-CD1 4.02Å; V38-L137 HydrophobicContact CG1-CG 4.32Å; V38-L137 HydrophobicContact CG2-CD2 4.32Å
39	T	75.2	Confident	67.7	Low	84 Å²	84	72.5 Å²	72.5	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-41.4	177.3	-55.2	0	0	0	0	111.2	V35 L41 C42 A43	V35-T39 WeakPolarHBondContact O-CB 3.47Å; V35-T39 PolarHBondContact O-N 3.46Å; V35-T39 PolarHBondContact O-OG1 3.05Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 3.03Å; T39-C42 PolarHBondContact O-N 3.09Å; T39-A43 PolarHBondContact O-N 3.33Å
40	T	73.7	Confident	65.4	Low	74 Å²	74	73.3 Å²	73.3	45%	0.454	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-35	177.7	-57.4	0	0	0	0	112.7	K36 Q37 V38 R48 L66	K36-T40 WeakPolarHBondContact O-CB 3.45Å; K36-T40 PolarHBondContact O-N 2.95Å; K36-T40 PolarHBondContact O-OG1 3.3Å; Q37-T40 PolarHBondContact O-N 3.24Å; V38-T40 PolarHBondContact O-N 3.5Å; T40-R48 PolarHBondContact O-NH2 3.43Å; T40-L66 HydrophobicContact CG2-CD1 4.21Å
41	L	70.7	Confident	63.1	Low	2 Å²	2	74.5 Å²	74.5	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-38.4	176.1	-174.6	63.7	0	0	0	111.8	Q37 V38 T39 L66 V67 M109 M129	Q37-L41 PolarHBondContact O-N 3.26Å; V38-L41 PolarHBondContact O-N 3.01Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 3.03Å; L41-L66 HydrophobicContact CB-CD1 4.39Å; L41-L66 HydrophobicContact CD1-CB 3.98Å; L41-L66 HydrophobicContact CD1-CD1 4.09Å; L41-V67 HydrophobicContact CD2-CG2 4.45Å; L41-M109 HydrophobicContact CD2-CE 3.7Å; L41-M129 HydrophobicContact CD2-SD 4.27Å; L41-M129 HydrophobicContact CG-SD 4.01Å
42	C	69	Low	60.9	Low	29 Å²	29	81.8 Å²	81.8	20%	0.196	43%	0.427	C	S	.	.	H	α-helix	trans	-76.1	-17.6	177.4	-69.2	0	0	0	0	114.4	V38 T39 M129 I130	V38-C42 WeakPolarHBondContact O-CB 3.28Å; V38-C42 PolarHBondContact O-N 2.87Å; V38-C42 PolarHBondContact O-SG 3.48Å; T39-C42 PolarHBondContact O-N 3.09Å; C42-M129 HydrophobicContact CB-CE 4.38Å; C42-I130 HydrophobicContact CB-CG1 4.35Å
43	A	66.5	Low	59	Low	35 Å²	35	81.9 Å²	81.9	29%	0.289	45%	0.453	S	S	.	.	S	Bend	trans	-61.6	140.3	-178.5	0	0	0	0	0	112.7	T39	T39-A43 PolarHBondContact O-N 3.33Å
44	T	54.2	Low	56.8	Low	44 Å²	44	88 Å²	88	27%	0.27	47%	0.472	S	S	.	.			trans	-74.5	153.5	-174.6	60.5	0	0	0	0	112.9	N46 E47 R48	T44-N46 PolarHBondContact O-N 3.3Å; T44-N46 VanDerWaalsContact O-N 3.14Å; T44-E47 PolarHBondContact N-OE2 2.94Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.09Å; T44-E47 VanDerWaalsContact OG1-CD 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.44Å; T44-E47 PolarHBondContact OG1-N 3.14Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; T44-R48 PolarHBondContact O-N 3.4Å
45	N	48.1	Very low	54.7	Low	91 Å²	91	97 Å²	97	49%	0.487	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.8	169.7	-89.1	-10.1	0	0	0	113.3
46	N	43.2	Very low	52.9	Low	120 Å²	120	105 Å²	105	64%	0.642	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.6	173.6	-88.6	-9.9	0	0	0	112.2	T44 R48 K49	T44-N46 PolarHBondContact O-N 3.3Å; T44-N46 VanDerWaalsContact O-N 3.14Å; N46-R48 VanDerWaalsContact C-N 3.29Å; N46-R48 PolarHBondContact O-N 3.06Å; N46-K49 WeakPolarHBondContact O-CB 3.35Å; N46-K49 PolarHBondContact O-N 2.95Å
47	E	40.6	Very low	50.9	Low	134 Å²	134	105.4 Å²	105.4	63%	0.626	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-74.3	-18.8	173.1	-70.1	158.5	155.1	0	0	112.7	T44 K49	T44-E47 PolarHBondContact N-OE2 2.94Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.09Å; T44-E47 VanDerWaalsContact OG1-CD 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.44Å; T44-E47 PolarHBondContact OG1-N 3.14Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.01Å
48	R	42	Very low	49.3	Very low	101 Å²	101	104.6 Å²	104.6	38%	0.381	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-76.6	-7.8	172.5	-69.1	179.4	179.5	170	-0	114.1	T40 T44 N46 E50	T40-R48 PolarHBondContact O-NH2 3.43Å; T44-R48 PolarHBondContact O-N 3.4Å; N46-R48 VanDerWaalsContact C-N 3.29Å; N46-R48 PolarHBondContact O-N 3.06Å; R48-E50 VanDerWaalsContact C-N 3.29Å; R48-E50 PolarHBondContact O-N 3.04Å
49	K	35	Very low	48	Very low	162 Å²	162	106.5 Å²	106.5	70%	0.704	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-74	-12	-174.6	-83.5	-176.8	174.2	170.2	0	114.9	N46 E47	N46-K49 WeakPolarHBondContact O-CB 3.35Å; N46-K49 PolarHBondContact O-N 2.95Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.01Å
50	E	37.6	Very low	46.9	Very low	190 Å²	190	105.7 Å²	105.7	89%	0.888	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-89.5	-7.6	-176	-65.8	-165.1	154.8	0	0	114.8	R48	R48-E50 VanDerWaalsContact C-N 3.29Å; R48-E50 PolarHBondContact O-N 3.04Å
51	A	38.5	Very low	46	Very low	82 Å²	82	109.6 Å²	109.6	68%	0.678	58%	0.581	S	S	*	*	S	Bend	trans	-113.9	81.4	177.5	0	0	0	0	0	112.1
52	H	37.1	Very low	45.8	Very low	173 Å²	173	117.1 Å²	117.1	80%	0.801	61%	0.613	S	S	*	*			trans	68	114.8	161.2	-62.9	-21	0	0	0	118.8	K54	H52-K54 VanDerWaalsContact C-N 3.27Å; H52-K54 PolarHBondContact O-N 2.61Å
53	G	39.3	Very low	45.9	Very low	96 Å²	96	116.1 Å²	116.1	99%	0.99	61%	0.607	S	S	*	*			trans	-66.8	57.9	178.9	0	0	0	0	0	116.9
54	K	34.5	Very low	46.5	Very low	193 Å²	193	119.2 Å²	119.2	84%	0.839	62%	0.615	S	S	*	*			trans	-106.5	118	170.7	-75.8	-178.6	178.9	174.4	0	111.5	H52	H52-K54 VanDerWaalsContact C-N 3.27Å; H52-K54 PolarHBondContact O-N 2.61Å
55	K	35.5	Very low	47.8	Very low	193 Å²	193	122 Å²	122	84%	0.839	63%	0.632	S	S	*	*			trans	28	123.4	160.9	-68.1	-177.9	178.5	177.9	0	117.8	V57	K55-V57 PolarHBondContact O-N 3.16Å
56	K	41	Very low	49.2	Very low	223 Å²	223	119.3 Å²	119.3	97%	0.97	62%	0.618	S	S	*	*	S	Bend	trans	-52.4	14.4	170.7	-99.6	-178	177	178.9	0	117	S58	K56-S58 PolarHBondContact O-N 3.44Å
57	V	33.7	Very low	51.1	Low	128 Å²	128	114 Å²	114	78%	0.776	59%	0.589	S	S	*	*			trans	-89.4	101.3	-176.2	-176.1	0	0	0	0	109.6	K55	K55-V57 PolarHBondContact O-N 3.16Å
58	S	44.1	Very low	53.3	Low	39 Å²	39	110.1 Å²	110.1	27%	0.273	58%	0.58	S	S	.	*			trans	86.1	50.9	158.2	-147	0	0	0	0	119.2	K56 V60 K61 K62	K56-S58 PolarHBondContact O-N 3.44Å; S58-V60 PolarHBondContact O-N 3.45Å; S58-K61 PolarHBondContact O-N 2.93Å; S58-K61 WeakPolarHBondContact OG-CB 3.49Å; S58-K61 VanDerWaalsContact OG-CD 3.26Å; S58-K61 WeakPolarHBondContact OG-CD 3.49Å; S58-K61 WeakPolarHBondContact OG-CG 3.25Å; S58-K61 PolarHBondContact OG-N 2.86Å; S58-K61 VanDerWaalsContact OG-N 3.16Å; S58-K62 PolarHBondContact O-N 3.04Å
59	G	48.9	Very low	55.3	Low	44 Å²	44	106.9 Å²	106.9	45%	0.454	58%	0.575	S	S	.	*	H	α-helix	trans	-55.8	-25.9	157	0	0	0	0	0	112.8	A63	G59-A63 PolarHBondContact O-N 3.15Å; G59-A63 VanDerWaalsContact O-N 3.08Å
60	V	51.4	Low	57.8	Low	66 Å²	66	99.3 Å²	99.3	40%	0.4	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-47.8	174.6	-177	0	0	0	0	111.8	S58 K62 A63 H64	S58-V60 PolarHBondContact O-N 3.45Å; V60-K62 PolarHBondContact O-N 2.59Å; V60-A63 PolarHBondContact O-N 3.22Å; V60-H64 WeakPolarHBondContact CG1-CE1 3.34Å; V60-H64 PolarHBondContact O-N 2.92Å; V60-H64 PolarHBondContact O-ND1 3.05Å
61	K	56	Low	60.2	Low	157 Å²	157	93.8 Å²	93.8	68%	0.683	52%	0.516	S	S	*	.	H	α-helix	trans	-62.4	-39.8	178	-77.8	173.7	-172.2	-172.9	0	112.2	S58 H64 V65	S58-K61 PolarHBondContact O-N 2.93Å; S58-K61 WeakPolarHBondContact OG-CB 3.49Å; S58-K61 VanDerWaalsContact OG-CD 3.26Å; S58-K61 WeakPolarHBondContact OG-CD 3.49Å; S58-K61 WeakPolarHBondContact OG-CG 3.25Å; S58-K61 PolarHBondContact OG-N 2.86Å; S58-K61 VanDerWaalsContact OG-N 3.16Å; K61-H64 PolarHBondContact O-N 2.77Å; K61-V65 WeakPolarHBondContact O-CG2 3.46Å; K61-V65 PolarHBondContact O-N 2.84Å; K61-V65 VanDerWaalsContact O-N 3.08Å
62	K	66.2	Low	62.7	Low	160 Å²	160	96.6 Å²	96.6	70%	0.696	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-39.5	175.5	-76.1	-172.1	177.8	-176.7	0	112.6	S58 V60 V65 L66	S58-K62 PolarHBondContact O-N 3.04Å; V60-K62 PolarHBondContact O-N 2.59Å; K62-V65 PolarHBondContact O-N 3.21Å; K62-L66 WeakPolarHBondContact O-CG 3.49Å; K62-L66 PolarHBondContact O-N 3.16Å; K62-L66 VanDerWaalsContact O-N 3.1Å
63	A	71.1	Confident	65.1	Low	8 Å²	8	89.2 Å²	89.2	7%	0.066	48%	0.482	C	S	.	.	H	α-helix	trans	-62.1	-46.4	174.7	0	0	0	0	0	111.1	G59 V60 V65 L66 V67 A117	G59-A63 PolarHBondContact O-N 3.15Å; G59-A63 VanDerWaalsContact O-N 3.08Å; V60-A63 PolarHBondContact O-N 3.22Å; A63-V65 VanDerWaalsContact C-N 3.31Å; A63-V65 PolarHBondContact O-N 2.87Å; A63-L66 PolarHBondContact O-N 2.97Å; A63-L66 VanDerWaalsContact O-N 3.13Å; A63-V67 WeakPolarHBondContact O-CG2 3.39Å; A63-V67 PolarHBondContact O-N 3.22Å; A63-A117 HydrophobicContact CB-CB 3.89Å
64	H	77.8	Confident	67.4	Low	99 Å²	99	85.1 Å²	85.1	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-60.2	-38.5	177.6	-72.8	75	0	0	0	112.8	V60 K61 V67 A68	V60-H64 WeakPolarHBondContact CG1-CE1 3.34Å; V60-H64 PolarHBondContact O-N 2.92Å; V60-H64 PolarHBondContact O-ND1 3.05Å; K61-H64 PolarHBondContact O-N 2.77Å; H64-V67 PolarHBondContact O-N 3.23Å; H64-A68 WeakPolarHBondContact O-CB 3.43Å; H64-A68 PolarHBondContact O-N 3.29Å
65	V	81.3	Confident	70.1	Confident	102 Å²	102	79.1 Å²	79.1	62%	0.618	42%	0.42	S	S	*	.	H	α-helix	trans	-64.3	-42.3	174.9	173.1	0	0	0	0	111.6	K61 K62 A63 A68 A69	K61-V65 WeakPolarHBondContact O-CG2 3.46Å; K61-V65 PolarHBondContact O-N 2.84Å; K61-V65 VanDerWaalsContact O-N 3.08Å; K62-V65 PolarHBondContact O-N 3.21Å; A63-V65 VanDerWaalsContact C-N 3.31Å; A63-V65 PolarHBondContact O-N 2.87Å; V65-A68 PolarHBondContact O-N 3.41Å; V65-A69 PolarHBondContact O-N 3.49Å
66	L	78.4	Confident	72.7	Confident	36 Å²	36	75.3 Å²	75.3	19%	0.188	41%	0.406	C	S	.	.	H	α-helix	trans	-66.7	-39.7	176.8	-72	172.8	0	0	0	111.8	T40 L41 K62 A63 A69 V70	T40-L66 HydrophobicContact CG2-CD1 4.21Å; L41-L66 HydrophobicContact CB-CD1 4.39Å; L41-L66 HydrophobicContact CD1-CB 3.98Å; L41-L66 HydrophobicContact CD1-CD1 4.09Å; K62-L66 WeakPolarHBondContact O-CG 3.49Å; K62-L66 PolarHBondContact O-N 3.16Å; K62-L66 VanDerWaalsContact O-N 3.1Å; A63-L66 PolarHBondContact O-N 2.97Å; A63-L66 VanDerWaalsContact O-N 3.13Å; L66-A69 PolarHBondContact O-N 3.04Å; L66-V70 WeakPolarHBondContact O-CG2 3.4Å; L66-V70 PolarHBondContact O-N 3.17Å
67	V	84.3	Confident	75.1	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-46.2	174.1	175.9	0	0	0	0	110.8	L41 A63 H64 A69 V70 E71 V110 S113 R114	L41-V67 HydrophobicContact CD2-CG2 4.45Å; A63-V67 WeakPolarHBondContact O-CG2 3.39Å; A63-V67 PolarHBondContact O-N 3.22Å; H64-V67 PolarHBondContact O-N 3.23Å; V67-A69 VanDerWaalsContact C-N 3.28Å; V67-A69 PolarHBondContact O-N 3.43Å; V67-V70 PolarHBondContact O-N 3.49Å; V67-E71 WeakPolarHBondContact O-CB 3.31Å; V67-E71 PolarHBondContact O-N 2.93Å; V67-V110 HydrophobicContact CG1-CG1 4.43Å; V67-S113 VanDerWaalsContact CG2-CB 3.5Å; V67-R114 HydrophobicContact CG1-CG 4.01Å
68	A	85.5	Confident	77.8	Confident	53 Å²	53	62.1 Å²	62.1	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-34.8	176.3	0	0	0	0	0	112.7	H64 V65 K72	H64-A68 WeakPolarHBondContact O-CB 3.43Å; H64-A68 PolarHBondContact O-N 3.29Å; V65-A68 PolarHBondContact O-N 3.41Å; A68-K72 WeakPolarHBondContact O-CB 3.26Å; A68-K72 PolarHBondContact O-N 3.16Å
69	A	85.3	Confident	80	Confident	33 Å²	33	66.2 Å²	66.2	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-43.2	175.1	0	0	0	0	0	112.3	V65 L66 V67 K72 A73	V65-A69 PolarHBondContact O-N 3.49Å; L66-A69 PolarHBondContact O-N 3.04Å; V67-A69 VanDerWaalsContact C-N 3.28Å; V67-A69 PolarHBondContact O-N 3.43Å; A69-K72 PolarHBondContact O-N 3.44Å; A69-A73 WeakPolarHBondContact O-CB 3.37Å; A69-A73 PolarHBondContact O-N 3.45Å
70	V	86	Confident	81.9	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-45	174.5	171.4	0	0	0	0	110.6	Q37 V38 L66 V67 K72 A73 I74 M109 L136	Q37-V70 HydrophobicContact CB-CG2 4.35Å; V38-V70 HydrophobicContact CG2-CG2 4.46Å; L66-V70 WeakPolarHBondContact O-CG2 3.4Å; L66-V70 PolarHBondContact O-N 3.17Å; V67-V70 PolarHBondContact O-N 3.49Å; V70-K72 PolarHBondContact O-N 2.95Å; V70-A73 PolarHBondContact O-N 3.08Å; V70-I74 HydrophobicContact CG1-CD1 3.73Å; V70-I74 HydrophobicContact CG1-CG1 4.42Å; V70-I74 WeakPolarHBondContact O-CD1 3.41Å; V70-I74 VanDerWaalsContact O-CG1 3.26Å; V70-I74 WeakPolarHBondContact O-CG1 3.26Å; V70-I74 PolarHBondContact O-N 3.42Å; V70-M109 HydrophobicContact CG1-CG 4.18Å; V70-L136 HydrophobicContact CG1-CD2 4.05Å
71	E	88.9	Confident	83.6	Confident	74 Å²	74	66.8 Å²	66.8	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-46.2	176.2	-171.2	167.2	-164.7	0	0	111	V67 A73 I74 S75 V110 R114	V67-E71 WeakPolarHBondContact O-CB 3.31Å; V67-E71 PolarHBondContact O-N 2.93Å; E71-A73 PolarHBondContact O-N 3.41Å; E71-I74 PolarHBondContact O-N 2.99Å; E71-S75 PolarHBondContact O-N 3.28Å; E71-S75 PolarHBondContact O-OG 3.19Å; E71-V110 HydrophobicContact CB-CG2 4.02Å; E71-V110 HydrophobicContact CG-CG2 4.18Å; E71-R114 IonicContact OE1-NH2 3.79Å; E71-R114 PolarHBondContact OE1-NH2 3.36Å; E71-R114 IonicContact OE2-CZ 3.67Å; E71-R114 IonicContact OE2-NH2 3.34Å; E71-R114 PolarHBondContact OE2-NH2 3.24Å
72	K	89.7	Confident	85.1	Confident	142 Å²	142	61.2 Å²	61.2	62%	0.617	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-44.1	174.5	-175.4	178.5	179.5	-179.3	0	112.5	A68 A69 V70 S75 M76	A68-K72 WeakPolarHBondContact O-CB 3.26Å; A68-K72 PolarHBondContact O-N 3.16Å; A69-K72 PolarHBondContact O-N 3.44Å; V70-K72 PolarHBondContact O-N 2.95Å; K72-S75 PolarHBondContact O-N 3.42Å; K72-M76 HydrophobicContact CG-SD 4.4Å; K72-M76 WeakPolarHBondContact O-CG 3.05Å; K72-M76 PolarHBondContact O-N 3.06Å
73	A	87.6	Confident	86.1	Confident	17 Å²	17	57.1 Å²	57.1	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-43.7	178.8	0	0	0	0	0	111.5	L34 A69 V70 E71 S75 M76 F77	L34-A73 HydrophobicContact CD1-CB 4.24Å; A69-A73 WeakPolarHBondContact O-CB 3.37Å; A69-A73 PolarHBondContact O-N 3.45Å; V70-A73 PolarHBondContact O-N 3.08Å; E71-A73 PolarHBondContact O-N 3.41Å; A73-S75 PolarHBondContact O-N 2.93Å; A73-M76 PolarHBondContact O-N 3.36Å; A73-F77 WeakPolarHBondContact O-CD2 3.39Å; A73-F77 PolarHBondContact O-N 3.19Å
74	I	89.1	Confident	86.6	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-46.3	174.8	-65.5	159.1	0	0	0	110.2	V70 E71 M76 F77 L78 V102 V110 L136	V70-I74 HydrophobicContact CG1-CD1 3.73Å; V70-I74 HydrophobicContact CG1-CG1 4.42Å; V70-I74 WeakPolarHBondContact O-CD1 3.41Å; V70-I74 VanDerWaalsContact O-CG1 3.26Å; V70-I74 WeakPolarHBondContact O-CG1 3.26Å; V70-I74 PolarHBondContact O-N 3.42Å; E71-I74 PolarHBondContact O-N 2.99Å; I74-M76 VanDerWaalsContact C-N 3.31Å; I74-M76 PolarHBondContact O-N 3.44Å; I74-F77 PolarHBondContact O-N 2.9Å; I74-L78 HydrophobicContact CG2-CD1 3.95Å; I74-L78 HydrophobicContact CG2-CG 4.32Å; I74-L78 WeakPolarHBondContact O-CG 3.4Å; I74-L78 PolarHBondContact O-N 2.99Å; I74-V102 HydrophobicContact CG2-CG1 4.36Å; I74-V110 HydrophobicContact CD1-CG2 4.2Å; I74-L136 HydrophobicContact CD1-CD1 4.27Å; I74-L136 HydrophobicContact CD1-CD2 3.88Å; I74-L136 HydrophobicContact CG1-CD1 4.09Å; I74-L136 HydrophobicContact CG1-CD2 4.15Å
75	S	90.7	Very high	86.9	Confident	66 Å²	66	55.7 Å²	55.7	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-57.5	-43.2	176.4	-64.8	0	0	0	0	112.2	E71 K72 A73 L78 E79	E71-S75 PolarHBondContact O-N 3.28Å; E71-S75 PolarHBondContact O-OG 3.19Å; K72-S75 PolarHBondContact O-N 3.42Å; A73-S75 PolarHBondContact O-N 2.93Å; S75-L78 PolarHBondContact O-N 3.49Å; S75-E79 WeakPolarHBondContact O-CB 3.43Å; S75-E79 PolarHBondContact O-N 3.41Å
76	M	90.1	Very high	87.1	Confident	113 Å²	113	57.3 Å²	57.3	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-42	177	-70.4	176.6	64.4	0	0	112.6	K72 A73 I74 L78 E79 K80	K72-M76 HydrophobicContact CG-SD 4.4Å; K72-M76 WeakPolarHBondContact O-CG 3.05Å; K72-M76 PolarHBondContact O-N 3.06Å; A73-M76 PolarHBondContact O-N 3.36Å; I74-M76 VanDerWaalsContact C-N 3.31Å; I74-M76 PolarHBondContact O-N 3.44Å; M76-L78 VanDerWaalsContact C-N 3.33Å; M76-L78 PolarHBondContact O-N 2.93Å; M76-E79 PolarHBondContact O-N 3.14Å; M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.43Å
77	F	90.4	Very high	87.3	Confident	32 Å²	32	62.3 Å²	62.3	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174.8	-79.4	-63.7	0	0	0	112	T30 L34 A73 I74 G81 V140 L143 L144	T30-F77 HydrophobicContact CG2-CE1 3.85Å; T30-F77 HydrophobicContact CG2-CZ 4.14Å; L34-F77 HydrophobicContact CD2-CE2 4.09Å; A73-F77 WeakPolarHBondContact O-CD2 3.39Å; A73-F77 PolarHBondContact O-N 3.19Å; I74-F77 PolarHBondContact O-N 2.9Å; F77-G81 PolarHBondContact O-N 2.9Å; F77-V140 HydrophobicContact CD1-CG1 4.38Å; F77-V140 HydrophobicContact CD2-CG1 4.19Å; F77-V140 HydrophobicContact CD2-CG2 4.47Å; F77-V140 HydrophobicContact CE1-CG1 4.04Å; F77-V140 HydrophobicContact CE2-CG1 3.83Å; F77-V140 HydrophobicContact CG-CG1 4.47Å; F77-V140 HydrophobicContact CZ-CG1 3.75Å; F77-L143 HydrophobicContact CB-CD2 4.17Å; F77-L144 HydrophobicContact CE1-CD1 4.36Å; F77-L144 HydrophobicContact CE1-CD2 4Å; F77-L144 HydrophobicContact CE1-CG 4.35Å
78	L	91.2	Very high	87.1	Confident	42 Å²	42	64 Å²	64	22%	0.22	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-41.4	178.6	-68	176.2	0	0	0	112.2	I74 S75 M76 A82 L99 V102 K103	I74-L78 HydrophobicContact CG2-CD1 3.95Å; I74-L78 HydrophobicContact CG2-CG 4.32Å; I74-L78 WeakPolarHBondContact O-CG 3.4Å; I74-L78 PolarHBondContact O-N 2.99Å; S75-L78 PolarHBondContact O-N 3.49Å; M76-L78 VanDerWaalsContact C-N 3.33Å; M76-L78 PolarHBondContact O-N 2.93Å; L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.36Å; L78-L99 HydrophobicContact CD2-CD2 3.99Å; L78-L99 WeakPolarHBondContact CD2-O 3.44Å; L78-V102 HydrophobicContact CD2-CB 4.29Å; L78-V102 HydrophobicContact CD2-CG1 4.05Å; L78-V102 HydrophobicContact CG-CG1 4.47Å; L78-K103 HydrophobicContact CD1-CB 4.22Å; L78-K103 HydrophobicContact CD1-CG 4.26Å; L78-K103 HydrophobicContact CD2-CB 4.07Å
79	E	90.5	Very high	86.6	Confident	125 Å²	125	65.8 Å²	65.8	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-54.2	176.7	-177.9	175.6	-161	0	0	110.7	S75 M76 G81 A82 E83	S75-E79 WeakPolarHBondContact O-CB 3.43Å; S75-E79 PolarHBondContact O-N 3.41Å; M76-E79 PolarHBondContact O-N 3.14Å; E79-G81 VanDerWaalsContact C-N 3.34Å; E79-G81 PolarHBondContact O-N 2.91Å; E79-A82 WeakPolarHBondContact O-CB 3.45Å; E79-A82 PolarHBondContact O-N 3.26Å; E79-A82 VanDerWaalsContact O-N 3.14Å; E79-E83 PolarHBondContact O-N 3.49Å
80	K	88	Confident	86	Confident	118 Å²	118	69.9 Å²	69.9	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-38.1	-179.6	-163.7	71.7	-161.8	161.1	0	112.3	M76 A82 E83 I84	M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.43Å; K80-A82 VanDerWaalsContact C-N 3.33Å; K80-E83 WeakPolarHBondContact CD-OE2 3.4Å; K80-E83 WeakPolarHBondContact CE-OE2 3.35Å; K80-E83 IonicContact NZ-OE2 2.89Å; K80-E83 PolarHBondContact NZ-OE2 2.96Å; K80-E83 WeakPolarHBondContact O-CB 3.43Å; K80-E83 PolarHBondContact O-N 3.42Å; K80-I84 HydrophobicContact CG-CD1 4.46Å; K80-I84 VanDerWaalsContact O-CG1 3.32Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å; K80-I84 PolarHBondContact O-N 3.43Å
81	G	87.7	Confident	85.5	Confident	4 Å²	4	69.8 Å²	69.8	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-67	-33.6	174.9	0	0	0	0	0	113.1	F77 E79 I84 L85	F77-G81 PolarHBondContact O-N 2.9Å; E79-G81 VanDerWaalsContact C-N 3.34Å; E79-G81 PolarHBondContact O-N 2.91Å; G81-I84 PolarHBondContact O-N 2.63Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.76Å
82	A	87.1	Confident	84.8	Confident	41 Å²	41	69.6 Å²	69.6	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-69.1	-35.4	172.7	0	0	0	0	0	112.4	L78 E79 K80 L85 N86	L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.36Å; E79-A82 WeakPolarHBondContact O-CB 3.45Å; E79-A82 PolarHBondContact O-N 3.26Å; E79-A82 VanDerWaalsContact O-N 3.14Å; K80-A82 VanDerWaalsContact C-N 3.33Å; A82-L85 WeakPolarHBondContact O-CB 3.39Å; A82-L85 PolarHBondContact O-N 2.91Å; A82-N86 PolarHBondContact O-N 3.45Å
83	E	86.6	Confident	84.5	Confident	74 Å²	74	69.9 Å²	69.9	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-49.8	170.4	-69.2	174.9	-169.4	0	0	111.3	E79 K80 L85 N86 E87	E79-E83 PolarHBondContact O-N 3.49Å; K80-E83 WeakPolarHBondContact CD-OE2 3.4Å; K80-E83 WeakPolarHBondContact CE-OE2 3.35Å; K80-E83 IonicContact NZ-OE2 2.89Å; K80-E83 PolarHBondContact NZ-OE2 2.96Å; K80-E83 WeakPolarHBondContact O-CB 3.43Å; K80-E83 PolarHBondContact O-N 3.42Å; E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 2.95Å; E83-N86 WeakPolarHBondContact O-CB 3.26Å; E83-N86 PolarHBondContact O-N 3.11Å; E83-N86 VanDerWaalsContact O-N 3.09Å; E83-E87 PolarHBondContact O-N 3.38Å
84	I	83.5	Confident	84.2	Confident	39 Å²	39	70.7 Å²	70.7	20%	0.2	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-37.8	178.4	-64	165.5	0	0	0	111.1	K80 G81 N86 E87 N88 L95	K80-I84 HydrophobicContact CG-CD1 4.46Å; K80-I84 VanDerWaalsContact O-CG1 3.32Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å; K80-I84 PolarHBondContact O-N 3.43Å; G81-I84 PolarHBondContact O-N 2.63Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-E87 PolarHBondContact O-N 3.15Å; I84-N88 WeakPolarHBondContact O-CB 3.49Å; I84-N88 PolarHBondContact O-N 3.03Å; I84-N88 PolarHBondContact O-ND2 3.26Å; I84-L95 HydrophobicContact CB-CD2 4.1Å; I84-L95 HydrophobicContact CG2-CD2 3.72Å
85	L	83.9	Confident	84.1	Confident	37 Å²	37	70.2 Å²	70.2	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-39.6	175.9	-167.5	75.8	0	0	0	112.1	G81 A82 E83 N88 T92 L95 L99	G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 2.76Å; A82-L85 WeakPolarHBondContact O-CB 3.39Å; A82-L85 PolarHBondContact O-N 2.91Å; E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 2.95Å; L85-N88 CarbonylContact O-C 3.09Å; L85-N88 PolarHBondContact O-N 3.34Å; L85-T92 HydrophobicContact CD1-CG2 4.35Å; L85-L95 HydrophobicContact CB-CD2 3.91Å; L85-L95 HydrophobicContact CD1-CB 3.74Å; L85-L95 HydrophobicContact CD1-CD2 3.83Å; L85-L95 HydrophobicContact CD1-CG 3.86Å; L85-L99 HydrophobicContact CD2-CD1 4.28Å
86	N	85.1	Confident	84	Confident	136 Å²	136	67.7 Å²	67.7	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-69	-35.4	176.3	-73.1	-17.7	0	0	0	112.1	A82 E83 I84	A82-N86 PolarHBondContact O-N 3.45Å; E83-N86 WeakPolarHBondContact O-CB 3.26Å; E83-N86 PolarHBondContact O-N 3.11Å; E83-N86 VanDerWaalsContact O-N 3.09Å; I84-N86 VanDerWaalsContact C-N 3.34Å
87	E	82.1	Confident	84	Confident	142 Å²	142	66.4 Å²	66.4	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-74.3	-29	177.7	-69.7	176.5	179.1	0	0	112.6	E83 I84 P89	E83-E87 PolarHBondContact O-N 3.38Å; I84-E87 PolarHBondContact O-N 3.15Å; E87-P89 VanDerWaalsContact C-CD 3.48Å; E87-P89 VanDerWaalsContact O-CD 3.28Å; E87-P89 WeakPolarHBondContact O-CD 3.49Å
88	N	80.3	Confident	84	Confident	41 Å²	41	64.9 Å²	64.9	22%	0.219	34%	0.338	C	S	.	.			trans	-121.8	71.9	-175.1	-61	-83.1	0	0	0	111.4	I84 L85 E90 A91 I150	I84-N88 WeakPolarHBondContact O-CB 3.49Å; I84-N88 PolarHBondContact O-N 3.03Å; I84-N88 PolarHBondContact O-ND2 3.26Å; L85-N88 CarbonylContact O-C 3.09Å; L85-N88 PolarHBondContact O-N 3.34Å; N88-E90 PolarHBondContact O-N 2.85Å; N88-A91 HydrophobicContact CB-CB 4.3Å; N88-A91 PolarHBondContact O-N 3.27Å; N88-I150 HydrophobicContact CB-CG2 4.32Å
89	P	75.9	Confident	84	Confident	92 Å²	92	63.7 Å²	63.7	60%	0.597	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-61	-20.7	-176.9	23.5	-33.4	0	0	0	113.3	E87 A91 T92	E87-P89 VanDerWaalsContact C-CD 3.48Å; E87-P89 VanDerWaalsContact O-CD 3.28Å; E87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-A91 VanDerWaalsContact C-N 3.35Å; P89-T92 WeakPolarHBondContact O-CB 3.3Å; P89-T92 PolarHBondContact O-OG1 2.91Å
90	E	71.8	Confident	84.2	Confident	118 Å²	118	62.4 Å²	62.4	55%	0.551	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-76	-21.9	178.5	-59.8	-179.8	165.2	0	0	112.9	L11 N88 T92	L11-E90 HydrophobicContact CB-CB 4.1Å; L11-E90 HydrophobicContact CD1-CB 3.32Å; L11-E90 HydrophobicContact CD1-CG 4.32Å; L11-E90 WeakPolarHBondContact CD1-OE2 3.48Å; L11-E90 HydrophobicContact CG-CB 3.76Å; L11-E90 HydrophobicContact CG-CG 4.49Å; L11-E90 WeakPolarHBondContact CG-OE2 3.36Å; N88-E90 PolarHBondContact O-N 2.85Å; E90-T92 VanDerWaalsContact C-N 3.34Å
91	A	74.8	Confident	84.4	Confident	2 Å²	2	59.9 Å²	59.9	2%	0.017	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-93.1	10.2	177.8	0	0	0	0	0	113.4	N88 P89 E93 Q94 L95 I150	N88-A91 HydrophobicContact CB-CB 4.3Å; N88-A91 PolarHBondContact O-N 3.27Å; P89-A91 VanDerWaalsContact C-N 3.35Å; A91-E93 VanDerWaalsContact C-N 3.28Å; A91-E93 PolarHBondContact O-N 3.3Å; A91-E93 VanDerWaalsContact O-N 3.15Å; A91-Q94 PolarHBondContact O-N 3.33Å; A91-L95 WeakPolarHBondContact O-CB 3.43Å; A91-L95 PolarHBondContact O-N 3.43Å; A91-L95 VanDerWaalsContact O-N 3.11Å; A91-I150 HydrophobicContact CB-CD1 3.64Å; A91-I150 HydrophobicContact CB-CG1 3.89Å
92	T	75.8	Confident	84.7	Confident	70 Å²	70	59.7 Å²	59.7	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-55.6	-39.6	-167.1	-61.6	0	0	0	0	113.5	L85 P89 E90 G96	L85-T92 HydrophobicContact CD1-CG2 4.35Å; P89-T92 WeakPolarHBondContact O-CB 3.3Å; P89-T92 PolarHBondContact O-OG1 2.91Å; E90-T92 VanDerWaalsContact C-N 3.34Å; T92-G96 VanDerWaalsContact O-CA 3.28Å; T92-G96 WeakPolarHBondContact O-CA 3.11Å; T92-G96 PolarHBondContact O-N 3.3Å
93	E	82.9	Confident	85	Confident	147 Å²	147	62.8 Å²	62.8	69%	0.687	32%	0.323	S	S	*	.	H	α-helix	trans	-68.6	-52	-176.5	-171	-176.4	172.5	0	0	112.2	A91 N97	A91-E93 VanDerWaalsContact C-N 3.28Å; A91-E93 PolarHBondContact O-N 3.3Å; A91-E93 VanDerWaalsContact O-N 3.15Å; E93-N97 VanDerWaalsContact O-CB 3.29Å; E93-N97 WeakPolarHBondContact O-CB 3.37Å; E93-N97 PolarHBondContact O-N 3.36Å; E93-N97 PolarHBondContact O-ND2 2.91Å; E93-N97 VanDerWaalsContact O-ND2 3.13Å
94	Q	81.5	Confident	85.4	Confident	35 Å²	35	61.9 Å²	61.9	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-74	-45.7	-173.8	-68.3	-170.5	-9.4	0	0	112.3	L13 A91 G96 N97 A98 V146	L13-Q94 VanDerWaalsContact CB-CD 3.49Å; L13-Q94 HydrophobicContact CD1-CB 4.16Å; L13-Q94 HydrophobicContact CD1-CG 3.59Å; A91-Q94 PolarHBondContact O-N 3.33Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; Q94-N97 PolarHBondContact O-N 3.21Å; Q94-A98 PolarHBondContact O-N 2.91Å; Q94-V146 HydrophobicContact CB-CG1 4.41Å
95	L	87	Confident	86	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-39.5	176.9	-175.9	60.9	0	0	0	110.5	I84 L85 A91 N97 A98 L99 L143 V146 I150	I84-L95 HydrophobicContact CB-CD2 4.1Å; I84-L95 HydrophobicContact CG2-CD2 3.72Å; L85-L95 HydrophobicContact CB-CD2 3.91Å; L85-L95 HydrophobicContact CD1-CB 3.74Å; L85-L95 HydrophobicContact CD1-CD2 3.83Å; L85-L95 HydrophobicContact CD1-CG 3.86Å; A91-L95 WeakPolarHBondContact O-CB 3.43Å; A91-L95 PolarHBondContact O-N 3.43Å; A91-L95 VanDerWaalsContact O-N 3.11Å; L95-N97 PolarHBondContact O-N 3.48Å; L95-A98 PolarHBondContact O-N 3.31Å; L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.93Å; L95-L143 HydrophobicContact CD1-CD1 3.51Å; L95-V146 HydrophobicContact CB-CG1 4.32Å; L95-V146 HydrophobicContact CD1-CG1 4.26Å; L95-I150 HydrophobicContact CB-CD1 4.14Å; L95-I150 HydrophobicContact CD1-CD1 4.45Å; L95-I150 HydrophobicContact CD2-CD1 3.97Å; L95-I150 HydrophobicContact CG-CD1 4.43Å
96	G	88.1	Confident	86.4	Confident	13 Å²	13	59.1 Å²	59.1	13%	0.134	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-43.2	173.6	0	0	0	0	0	112.9	T92 Q94 L99 N100	T92-G96 VanDerWaalsContact O-CA 3.28Å; T92-G96 WeakPolarHBondContact O-CA 3.11Å; T92-G96 PolarHBondContact O-N 3.3Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; G96-L99 PolarHBondContact O-N 2.96Å; G96-N100 WeakPolarHBondContact O-CB 3.43Å; G96-N100 VanDerWaalsContact O-CG 3.3Å; G96-N100 PolarHBondContact O-N 3.5Å; G96-N100 PolarHBondContact O-ND2 2.92Å
97	N	90.2	Very high	86.8	Confident	85 Å²	85	59.2 Å²	59.2	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-42.6	176	-74.5	-23.6	0	0	0	112.4	E93 Q94 L95 N100 E101	E93-N97 VanDerWaalsContact O-CB 3.29Å; E93-N97 WeakPolarHBondContact O-CB 3.37Å; E93-N97 PolarHBondContact O-N 3.36Å; E93-N97 PolarHBondContact O-ND2 2.91Å; E93-N97 VanDerWaalsContact O-ND2 3.13Å; Q94-N97 PolarHBondContact O-N 3.21Å; L95-N97 PolarHBondContact O-N 3.48Å; N97-N100 PolarHBondContact O-N 2.97Å; N97-E101 PolarHBondContact O-N 3Å
98	A	89.9	Confident	87.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-42.5	175.7	0	0	0	0	0	111.6	Q94 L95 E101 V102 L143	Q94-A98 PolarHBondContact O-N 2.91Å; L95-A98 PolarHBondContact O-N 3.31Å; A98-E101 PolarHBondContact O-N 2.98Å; A98-V102 WeakPolarHBondContact O-CG2 3.18Å; A98-V102 PolarHBondContact O-N 2.92Å; A98-L143 HydrophobicContact CB-CB 4.34Å; A98-L143 HydrophobicContact CB-CD1 3.97Å
99	L	92.2	Very high	88	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.084	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-42.1	175.9	-74.4	168.2	0	0	0	112.4	L78 L85 L95 G96 E101 V102 K103 L143	L78-L99 HydrophobicContact CD2-CD2 3.99Å; L78-L99 WeakPolarHBondContact CD2-O 3.44Å; L85-L99 HydrophobicContact CD2-CD1 4.28Å; L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 2.93Å; G96-L99 PolarHBondContact O-N 2.96Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 3.46Å; L99-V102 PolarHBondContact O-N 3.41Å; L99-K103 VanDerWaalsContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CB 3.46Å; L99-K103 PolarHBondContact O-N 3.5Å; L99-L143 HydrophobicContact CD2-CD1 3.86Å; L99-L143 HydrophobicContact CD2-CD2 4.06Å; L99-L143 HydrophobicContact CG-CD1 4Å
100	N	92.8	Very high	88.7	Confident	98 Å²	98	51 Å²	51	52%	0.524	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.3	-77	-33.9	0	0	0	112	G96 N97 K103 S104	G96-N100 WeakPolarHBondContact O-CB 3.43Å; G96-N100 VanDerWaalsContact O-CG 3.3Å; G96-N100 PolarHBondContact O-N 3.5Å; G96-N100 PolarHBondContact O-ND2 2.92Å; N97-N100 PolarHBondContact O-N 2.97Å; N100-K103 PolarHBondContact O-N 2.81Å; N100-S104 WeakPolarHBondContact O-CB 3.42Å; N100-S104 PolarHBondContact O-N 3.23Å
101	E	93.1	Very high	89.7	Confident	66 Å²	66	49.3 Å²	49.3	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-45	174.6	-170	-171	-133.5	0	0	111.7	N97 A98 L99 K103 S104 T105 S139 R142	N97-E101 PolarHBondContact O-N 3Å; A98-E101 PolarHBondContact O-N 2.98Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 3.46Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 2.95Å; E101-S104 PolarHBondContact O-N 3.37Å; E101-S104 VanDerWaalsContact O-N 3.17Å; E101-T105 HydrophobicContact CG-CG2 4.16Å; E101-T105 WeakPolarHBondContact O-CB 3.36Å; E101-T105 WeakPolarHBondContact O-CG2 3.32Å; E101-T105 PolarHBondContact O-N 2.84Å; E101-T105 PolarHBondContact O-OG1 3.47Å; E101-S139 WeakPolarHBondContact OE2-CA 3.43Å; E101-S139 WeakPolarHBondContact OE2-CB 3.29Å; E101-R142 IonicContact OE1-CZ 2.72Å; E101-R142 IonicContact OE1-NE 2.89Å; E101-R142 IonicContact OE1-NH2 2.64Å; E101-R142 PolarHBondContact OE1-NH2 3.39Å; E101-R142 IonicContact OE2-CZ 3.06Å; E101-R142 IonicContact OE2-NE 3.2Å; E101-R142 PolarHBondContact OE2-NE 3.43Å; E101-R142 IonicContact OE2-NH2 2.64Å; E101-R142 PolarHBondContact OE2-NH2 3.26Å
102	V	93.5	Very high	90.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-39.8	174.1	172.5	0	0	0	0	110.7	I74 L78 A98 L99 S104 T105 G106 S139 V140 L143	I74-V102 HydrophobicContact CG2-CG1 4.36Å; L78-V102 HydrophobicContact CD2-CB 4.29Å; L78-V102 HydrophobicContact CD2-CG1 4.05Å; L78-V102 HydrophobicContact CG-CG1 4.47Å; A98-V102 WeakPolarHBondContact O-CG2 3.18Å; A98-V102 PolarHBondContact O-N 2.92Å; L99-V102 PolarHBondContact O-N 3.41Å; V102-S104 PolarHBondContact O-N 3.11Å; V102-T105 WeakPolarHBondContact CA-OG1 3.39Å; V102-T105 PolarHBondContact O-OG1 3.33Å; V102-G106 VanDerWaalsContact O-CA 3.28Å; V102-G106 WeakPolarHBondContact O-CA 3.17Å; V102-G106 PolarHBondContact O-N 3.15Å; V102-S139 WeakPolarHBondContact CG2-O 3.33Å; V102-V140 HydrophobicContact CG1-CG2 4.15Å; V102-V140 HydrophobicContact CG2-CG2 4.15Å; V102-L143 HydrophobicContact CG2-CB 3.99Å; V102-L143 HydrophobicContact CG2-CD2 4.01Å
103	K	93.9	Very high	91	Very high	106 Å²	106	46.3 Å²	46.3	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-34.6	176	-171.2	-179.9	179.7	175.8	0	112.7	L78 L99 N100 E101 R107	L78-K103 HydrophobicContact CD1-CB 4.22Å; L78-K103 HydrophobicContact CD1-CG 4.26Å; L78-K103 HydrophobicContact CD2-CB 4.07Å; L99-K103 VanDerWaalsContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CB 3.46Å; L99-K103 PolarHBondContact O-N 3.5Å; N100-K103 PolarHBondContact O-N 2.81Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 2.95Å; K103-R107 WeakPolarHBondContact O-CG 3.47Å; K103-R107 PolarHBondContact O-N 2.79Å; K103-R107 PolarHBondContact O-NE 3.41Å
104	S	95.7	Very high	91.3	Very high	54 Å²	54	44.6 Å²	44.6	38%	0.378	22%	0.221	S	C	.	.	H	α-helix	trans	-74.5	-57.7	176.8	-166.8	0	0	0	0	110.9	N100 E101 V102 G106 R107 D108	N100-S104 WeakPolarHBondContact O-CB 3.42Å; N100-S104 PolarHBondContact O-N 3.23Å; E101-S104 PolarHBondContact O-N 3.37Å; E101-S104 VanDerWaalsContact O-N 3.17Å; V102-S104 PolarHBondContact O-N 3.11Å; S104-G106 PolarHBondContact O-N 3.36Å; S104-R107 WeakPolarHBondContact O-CB 3.33Å; S104-R107 PolarHBondContact O-N 2.93Å; S104-R107 VanDerWaalsContact O-N 3.08Å; S104-D108 PolarHBondContact O-N 3.48Å
105	T	94.8	Very high	91.7	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-31.6	179.7	54.5	0	0	0	0	112.4	E101 V102 M109 A135 S139	E101-T105 HydrophobicContact CG-CG2 4.16Å; E101-T105 WeakPolarHBondContact O-CB 3.36Å; E101-T105 WeakPolarHBondContact O-CG2 3.32Å; E101-T105 PolarHBondContact O-N 2.84Å; E101-T105 PolarHBondContact O-OG1 3.47Å; V102-T105 WeakPolarHBondContact CA-OG1 3.39Å; V102-T105 PolarHBondContact O-OG1 3.33Å; T105-M109 VanDerWaalsContact O-CB 3.27Å; T105-M109 WeakPolarHBondContact O-CB 3.44Å; T105-M109 PolarHBondContact O-N 2.92Å; T105-A135 HydrophobicContact CG2-CB 3.96Å; T105-S139 WeakPolarHBondContact OG1-CB 3.31Å; T105-S139 PolarHBondContact OG1-OG 3.28Å
106	G	93.1	Very high	91.7	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-41.6	173	0	0	0	0	0	113.2	V102 S104 M109 V110	V102-G106 VanDerWaalsContact O-CA 3.28Å; V102-G106 WeakPolarHBondContact O-CA 3.17Å; V102-G106 PolarHBondContact O-N 3.15Å; S104-G106 PolarHBondContact O-N 3.36Å; G106-M109 PolarHBondContact O-N 2.95Å; G106-V110 VanDerWaalsContact O-CG2 3.3Å; G106-V110 WeakPolarHBondContact O-CG2 3.29Å; G106-V110 PolarHBondContact O-N 2.93Å
107	R	93.9	Very high	91.4	Very high	139 Å²	139	48.2 Å²	48.2	53%	0.525	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-49.4	173.1	-81.8	178.6	-83.2	164.1	-4.3	111.1	K103 S104 M109 V110 D111	K103-R107 WeakPolarHBondContact O-CG 3.47Å; K103-R107 PolarHBondContact O-N 2.79Å; K103-R107 PolarHBondContact O-NE 3.41Å; S104-R107 WeakPolarHBondContact O-CB 3.33Å; S104-R107 PolarHBondContact O-N 2.93Å; S104-R107 VanDerWaalsContact O-N 3.08Å; R107-M109 VanDerWaalsContact C-N 3.25Å; R107-M109 PolarHBondContact O-N 2.87Å; R107-V110 PolarHBondContact O-N 3.38Å; R107-V110 VanDerWaalsContact O-N 3.14Å; R107-D111 WeakPolarHBondContact O-CB 3.13Å; R107-D111 PolarHBondContact O-N 3.4Å
108	D	93.9	Very high	91.1	Very high	89 Å²	89	47.8 Å²	47.8	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-39.6	177.3	-62.1	-22.7	0	0	0	111.8	S104 S112 A132	S104-D108 PolarHBondContact O-N 3.48Å; D108-S112 WeakPolarHBondContact O-CB 3.26Å; D108-S112 PolarHBondContact O-N 2.91Å; D108-S112 PolarHBondContact O-OG 3.17Å; D108-A132 HydrophobicContact CB-CB 4.49Å
109	M	92.4	Very high	90.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-45.2	176.8	-178.9	58	-173.5	0	0	111.9	L41 V70 T105 G106 R107 S112 S113 M129 A132 A133 L136	L41-M109 HydrophobicContact CD2-CE 3.7Å; V70-M109 HydrophobicContact CG1-CG 4.18Å; T105-M109 VanDerWaalsContact O-CB 3.27Å; T105-M109 WeakPolarHBondContact O-CB 3.44Å; T105-M109 PolarHBondContact O-N 2.92Å; G106-M109 PolarHBondContact O-N 2.95Å; R107-M109 VanDerWaalsContact C-N 3.25Å; R107-M109 PolarHBondContact O-N 2.87Å; M109-S112 PolarHBondContact O-OG 3.33Å; M109-S113 VanDerWaalsContact CE-OG 3.24Å; M109-S113 WeakPolarHBondContact CE-OG 3.38Å; M109-S113 WeakPolarHBondContact O-CB 3.25Å; M109-S113 PolarHBondContact O-N 3.13Å; M109-S113 PolarHBondContact O-OG 2.9Å; M109-M129 HydrophobicContact CE-CG 4.35Å; M109-M129 HydrophobicContact SD-CG 4.48Å; M109-A132 HydrophobicContact CB-CB 4.32Å; M109-A132 HydrophobicContact SD-CB 4.12Å; M109-A133 HydrophobicContact CE-CB 3.95Å; M109-A133 VanDerWaalsContact SD-CA 3.56Å; M109-A133 HydrophobicContact SD-CB 3.82Å; M109-A133 PolarHBondContact SD-N 2.8Å; M109-A133 VanDerWaalsContact SD-N 3.43Å; M109-L136 HydrophobicContact CB-CB 4.36Å; M109-L136 HydrophobicContact CB-CD2 3.99Å; M109-L136 HydrophobicContact CG-CD2 3.73Å
110	V	91.4	Very high	90.2	Very high	12 Å²	12	51.2 Å²	51.2	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-45.5	178.2	170.2	0	0	0	0	110.7	V67 E71 I74 G106 R107 S113 R114	V67-V110 HydrophobicContact CG1-CG1 4.43Å; E71-V110 HydrophobicContact CB-CG2 4.02Å; E71-V110 HydrophobicContact CG-CG2 4.18Å; I74-V110 HydrophobicContact CD1-CG2 4.2Å; G106-V110 VanDerWaalsContact O-CG2 3.3Å; G106-V110 WeakPolarHBondContact O-CG2 3.29Å; G106-V110 PolarHBondContact O-N 2.93Å; R107-V110 PolarHBondContact O-N 3.38Å; R107-V110 VanDerWaalsContact O-N 3.14Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-R114 VanDerWaalsContact CG1-CZ 3.47Å; V110-R114 WeakPolarHBondContact O-CB 3.49Å; V110-R114 VanDerWaalsContact O-CG 3.28Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.13Å
111	D	92.3	Very high	89.6	Confident	84 Å²	84	52.4 Å²	52.4	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-51.1	-178.9	-68.5	-21.9	0	0	0	111.5	R107 S113 R114 E115	R107-D111 WeakPolarHBondContact O-CB 3.13Å; R107-D111 PolarHBondContact O-N 3.4Å; D111-S113 VanDerWaalsContact C-N 3.25Å; D111-S113 PolarHBondContact O-N 3.43Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 VanDerWaalsContact O-N 3.12Å; D111-E115 WeakPolarHBondContact O-CG 3.28Å; D111-E115 PolarHBondContact O-N 3.36Å
112	S	90.6	Very high	89.1	Confident	7 Å²	7	50.1 Å²	50.1	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-33.3	177	61.6	0	0	0	0	112.7	D108 M109 F116 A132	D108-S112 WeakPolarHBondContact O-CB 3.26Å; D108-S112 PolarHBondContact O-N 2.91Å; D108-S112 PolarHBondContact O-OG 3.17Å; M109-S112 PolarHBondContact O-OG 3.33Å; S112-F116 WeakPolarHBondContact O-CB 3.29Å; S112-F116 PolarHBondContact O-N 3.48Å; S112-A132 WeakPolarHBondContact OG-CB 3.35Å
113	S	88.2	Confident	88.7	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-73.1	-34.9	175.5	-58.8	0	0	0	0	112.8	V67 M109 V110 D111 A117	V67-S113 VanDerWaalsContact CG2-CB 3.5Å; M109-S113 VanDerWaalsContact CE-OG 3.24Å; M109-S113 WeakPolarHBondContact CE-OG 3.38Å; M109-S113 WeakPolarHBondContact O-CB 3.25Å; M109-S113 PolarHBondContact O-N 3.13Å; M109-S113 PolarHBondContact O-OG 2.9Å; V110-S113 PolarHBondContact O-N 3.38Å; D111-S113 VanDerWaalsContact C-N 3.25Å; D111-S113 PolarHBondContact O-N 3.43Å; S113-A117 VanDerWaalsContact O-CB 3.22Å; S113-A117 WeakPolarHBondContact O-CB 3.48Å; S113-A117 PolarHBondContact O-N 2.78Å
114	R	89.4	Confident	88.4	Confident	112 Å²	112	53.3 Å²	53.3	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-67.1	-43.3	173	-74.6	173.6	-178.8	173	3.6	111	V67 E71 V110 D111 F116 A117 A118	V67-R114 HydrophobicContact CG1-CG 4.01Å; E71-R114 IonicContact OE1-NH2 3.79Å; E71-R114 PolarHBondContact OE1-NH2 3.36Å; E71-R114 IonicContact OE2-CZ 3.67Å; E71-R114 IonicContact OE2-NH2 3.34Å; E71-R114 PolarHBondContact OE2-NH2 3.24Å; V110-R114 VanDerWaalsContact CG1-CZ 3.47Å; V110-R114 WeakPolarHBondContact O-CB 3.49Å; V110-R114 VanDerWaalsContact O-CG 3.28Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.13Å; D111-R114 PolarHBondContact O-N 3.02Å; D111-R114 VanDerWaalsContact O-N 3.12Å; R114-F116 PolarHBondContact O-N 3.41Å; R114-A117 PolarHBondContact O-N 3.4Å; R114-A118 PolarHBondContact O-N 2.89Å
115	E	89.2	Confident	88	Confident	103 Å²	103	55 Å²	55	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175	-72.2	-175.6	-178.5	0	0	112.5	D111 A118 D119 R125	D111-E115 WeakPolarHBondContact O-CG 3.28Å; D111-E115 PolarHBondContact O-N 3.36Å; E115-A118 PolarHBondContact O-N 3.02Å; E115-D119 PolarHBondContact O-N 3.1Å; E115-D119 VanDerWaalsContact O-N 3.13Å; E115-R125 WeakPolarHBondContact O-CD 3.41Å; E115-R125 PolarHBondContact O-NH1 3.09Å
116	F	86.4	Confident	87.5	Confident	21 Å²	21	57.3 Å²	57.3	9%	0.092	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-37.7	174.5	178.7	-107	0	0	0	112.2	S112 R114 A118 D119 P120 R125 R126 M129	S112-F116 WeakPolarHBondContact O-CB 3.29Å; S112-F116 PolarHBondContact O-N 3.48Å; R114-F116 PolarHBondContact O-N 3.41Å; F116-A118 PolarHBondContact O-N 2.96Å; F116-D119 CarbonylContact O-C 3.46Å; F116-D119 PolarHBondContact O-N 3.21Å; F116-P120 HydrophobicContact CE2-CB 4.45Å; F116-P120 WeakPolarHBondContact CE2-O 3.48Å; F116-P120 HydrophobicContact CZ-CB 4.25Å; F116-P120 VanDerWaalsContact O-CA 3.27Å; F116-P120 WeakPolarHBondContact O-CA 3.28Å; F116-P120 WeakPolarHBondContact O-CD 3.18Å; F116-P120 WeakPolarHBondContact O-CG 2.98Å; F116-R125 HydrophobicContact CB-CB 4.47Å; F116-R125 HydrophobicContact CD2-CB 4.38Å; F116-R126 HydrophobicContact CD2-CB 4.07Å; F116-R126 HydrophobicContact CE2-CB 3.77Å; F116-R126 HydrophobicContact CE2-CG 4.19Å; F116-M129 HydrophobicContact CB-SD 4.05Å; F116-M129 HydrophobicContact CD1-CE 3.94Å; F116-M129 HydrophobicContact CD1-SD 3.47Å; F116-M129 WeakPolarHBondContact CD1-SD 3.41Å; F116-M129 HydrophobicContact CE1-CE 4.05Å; F116-M129 HydrophobicContact CE1-SD 4.14Å; F116-M129 HydrophobicContact CG-CE 4.38Å; F116-M129 HydrophobicContact CG-SD 3.88Å
117	A	82.9	Confident	87.2	Confident	1 Å²	1	60 Å²	60	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-31.2	175.2	0	0	0	0	0	112.2	A63 S113 R114	A63-A117 HydrophobicContact CB-CB 3.89Å; S113-A117 VanDerWaalsContact O-CB 3.22Å; S113-A117 WeakPolarHBondContact O-CB 3.48Å; S113-A117 PolarHBondContact O-N 2.78Å; R114-A117 PolarHBondContact O-N 3.4Å
118	A	84.4	Confident	87	Confident	76 Å²	76	57.1 Å²	57.1	63%	0.628	33%	0.326	S	S	*	.	H	α-helix	trans	-74.5	-34.1	174.2	0	0	0	0	0	113.2	R114 E115 F116	R114-A118 PolarHBondContact O-N 2.89Å; E115-A118 PolarHBondContact O-N 3.02Å; F116-A118 PolarHBondContact O-N 2.96Å
119	D	83.2	Confident	86.7	Confident	51 Å²	51	52.9 Å²	52.9	27%	0.273	30%	0.303	S	S	.	.			trans	-135.6	83.4	173.4	-179.3	3.1	0	0	0	111.9	E115 F116 T121 S122 R125	E115-D119 PolarHBondContact O-N 3.1Å; E115-D119 VanDerWaalsContact O-N 3.13Å; F116-D119 CarbonylContact O-C 3.46Å; F116-D119 PolarHBondContact O-N 3.21Å; D119-T121 PolarHBondContact O-N 3.4Å; D119-T121 PolarHBondContact OD1-N 3.44Å; D119-T121 PolarHBondContact OD1-OG1 3.19Å; D119-S122 PolarHBondContact O-N 2.75Å; D119-S122 PolarHBondContact OD1-N 3.23Å; D119-S122 WeakPolarHBondContact OD2-CB 3.38Å; D119-R125 VanDerWaalsContact CB-NH1 3.29Å
120	P	79.1	Confident	86.5	Confident	37 Å²	37	55.3 Å²	55.3	24%	0.24	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.1	-177.7	-21.5	33.9	0	0	0	114.4	F116 R126	F116-P120 HydrophobicContact CE2-CB 4.45Å; F116-P120 WeakPolarHBondContact CE2-O 3.48Å; F116-P120 HydrophobicContact CZ-CB 4.25Å; F116-P120 VanDerWaalsContact O-CA 3.27Å; F116-P120 WeakPolarHBondContact O-CA 3.28Å; F116-P120 WeakPolarHBondContact O-CD 3.18Å; F116-P120 WeakPolarHBondContact O-CG 2.98Å; P120-R126 PolarHBondContact O-NH2 3.16Å
121	T	80.3	Confident	86.4	Confident	123 Å²	123	62.5 Å²	62.5	76%	0.755	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.9	-179.3	41	0	0	0	0	113	D119 S123	D119-T121 PolarHBondContact O-N 3.4Å; D119-T121 PolarHBondContact OD1-N 3.44Å; D119-T121 PolarHBondContact OD1-OG1 3.19Å; T121-S123 PolarHBondContact O-N 3.41Å
122	S	82.6	Confident	86.3	Confident	18 Å²	18	59 Å²	59	13%	0.126	33%	0.329	C	S	.	.			trans	-69	119.2	177.2	175.5	0	0	0	0	112.6	D119 S124 R125 R126	D119-S122 PolarHBondContact O-N 2.75Å; D119-S122 PolarHBondContact OD1-N 3.23Å; D119-S122 WeakPolarHBondContact OD2-CB 3.38Å; S122-S124 PolarHBondContact OG-OG 3.41Å; S122-R125 WeakPolarHBondContact OG-CG 3.29Å; S122-R125 PolarHBondContact OG-N 3.25Å; S122-R126 PolarHBondContact O-N 2.91Å
123	S	84.5	Confident	86.2	Confident	96 Å²	96	58.9 Å²	58.9	67%	0.671	33%	0.328	S	S	*	.	H	α-helix	trans	-69.8	-35	173.5	54.6	0	0	0	0	112.3	T121 R126 A127	T121-S123 PolarHBondContact O-N 3.41Å; S123-R126 PolarHBondContact O-N 3.5Å; S123-A127 PolarHBondContact O-N 3.5Å
124	S	88.3	Confident	86.2	Confident	78 Å²	78	67.6 Å²	67.6	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-47.3	178.4	58.1	0	0	0	0	111.6	S122 R126 A127 T128	S122-S124 PolarHBondContact OG-OG 3.41Å; S124-R126 VanDerWaalsContact C-N 3.3Å; S124-R126 PolarHBondContact O-N 3.21Å; S124-A127 PolarHBondContact O-N 3.45Å; S124-A127 VanDerWaalsContact O-N 3.14Å; S124-T128 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-OG1 3.19Å
125	R	86.9	Confident	86.3	Confident	88 Å²	88	64.2 Å²	64.2	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-37.3	176.4	-68.7	-176.6	-179.1	-175	5.9	112.2	E115 F116 D119 S122 T128 M129	E115-R125 WeakPolarHBondContact O-CD 3.41Å; E115-R125 PolarHBondContact O-NH1 3.09Å; F116-R125 HydrophobicContact CB-CB 4.47Å; F116-R125 HydrophobicContact CD2-CB 4.38Å; D119-R125 VanDerWaalsContact CB-NH1 3.29Å; S122-R125 WeakPolarHBondContact OG-CG 3.29Å; S122-R125 PolarHBondContact OG-N 3.25Å; R125-T128 PolarHBondContact O-N 2.94Å; R125-M129 WeakPolarHBondContact O-CB 3.49Å; R125-M129 PolarHBondContact O-N 3.5Å
126	R	83.7	Confident	86.4	Confident	65 Å²	65	59.3 Å²	59.3	25%	0.245	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-45.5	173.1	-173	-177.8	-60.3	154.9	8.3	112.1	F116 P120 S122 S123 S124 T128 M129 I130	F116-R126 HydrophobicContact CD2-CB 4.07Å; F116-R126 HydrophobicContact CE2-CB 3.77Å; F116-R126 HydrophobicContact CE2-CG 4.19Å; P120-R126 PolarHBondContact O-NH2 3.16Å; S122-R126 PolarHBondContact O-N 2.91Å; S123-R126 PolarHBondContact O-N 3.5Å; S124-R126 VanDerWaalsContact C-N 3.3Å; S124-R126 PolarHBondContact O-N 3.21Å; R126-T128 VanDerWaalsContact C-N 3.32Å; R126-T128 PolarHBondContact O-N 3.49Å; R126-M129 HydrophobicContact CG-CE 4.38Å; R126-M129 PolarHBondContact O-N 3.19Å; R126-I130 HydrophobicContact CG-CD1 3.89Å; R126-I130 HydrophobicContact CG-CG1 4.43Å; R126-I130 WeakPolarHBondContact O-CG1 3.48Å; R126-I130 PolarHBondContact O-N 3.36Å
127	A	86.8	Confident	86.5	Confident	60 Å²	60	60 Å²	60	50%	0.496	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.9	0	0	0	0	0	111.6	S123 S124 I130 K131	S123-A127 PolarHBondContact O-N 3.5Å; S124-A127 PolarHBondContact O-N 3.45Å; S124-A127 VanDerWaalsContact O-N 3.14Å; A127-I130 PolarHBondContact O-N 3.14Å; A127-K131 PolarHBondContact O-N 3.43Å
128	T	89.7	Confident	86.8	Confident	77 Å²	77	63.6 Å²	63.6	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-47.3	173.8	-54.6	0	0	0	0	111.7	S124 R125 R126 I130 K131 A132	S124-T128 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-OG1 3.19Å; R125-T128 PolarHBondContact O-N 2.94Å; R126-T128 VanDerWaalsContact C-N 3.32Å; R126-T128 PolarHBondContact O-N 3.49Å; T128-I130 PolarHBondContact O-N 3.26Å; T128-K131 WeakPolarHBondContact O-CB 3.47Å; T128-K131 PolarHBondContact O-N 2.93Å; T128-A132 PolarHBondContact O-N 2.98Å
129	M	88.9	Confident	87.1	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-44.1	176.7	-178.2	-166.1	68.6	0	0	112.2	L41 C42 M109 F116 R125 R126 K131 A132 A133	L41-M129 HydrophobicContact CD2-SD 4.27Å; L41-M129 HydrophobicContact CG-SD 4.01Å; C42-M129 HydrophobicContact CB-CE 4.38Å; M109-M129 HydrophobicContact CE-CG 4.35Å; M109-M129 HydrophobicContact SD-CG 4.48Å; F116-M129 HydrophobicContact CB-SD 4.05Å; F116-M129 HydrophobicContact CD1-CE 3.94Å; F116-M129 HydrophobicContact CD1-SD 3.47Å; F116-M129 WeakPolarHBondContact CD1-SD 3.41Å; F116-M129 HydrophobicContact CE1-CE 4.05Å; F116-M129 HydrophobicContact CE1-SD 4.14Å; F116-M129 HydrophobicContact CG-CE 4.38Å; F116-M129 HydrophobicContact CG-SD 3.88Å; R125-M129 WeakPolarHBondContact O-CB 3.49Å; R125-M129 PolarHBondContact O-N 3.5Å; R126-M129 HydrophobicContact CG-CE 4.38Å; R126-M129 PolarHBondContact O-N 3.19Å; M129-K131 VanDerWaalsContact C-N 3.29Å; M129-K131 PolarHBondContact O-N 3.48Å; M129-A132 PolarHBondContact O-N 3.15Å; M129-A133 VanDerWaalsContact O-CB 3.27Å; M129-A133 WeakPolarHBondContact O-CB 3.11Å; M129-A133 PolarHBondContact O-N 3.39Å
130	I	87.3	Confident	87.5	Confident	51 Å²	51	57.5 Å²	57.5	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-38.5	177.3	-70.3	167.4	0	0	0	111	C42 R126 A127 T128 R134	C42-I130 HydrophobicContact CB-CG1 4.35Å; R126-I130 HydrophobicContact CG-CD1 3.89Å; R126-I130 HydrophobicContact CG-CG1 4.43Å; R126-I130 WeakPolarHBondContact O-CG1 3.48Å; R126-I130 PolarHBondContact O-N 3.36Å; A127-I130 PolarHBondContact O-N 3.14Å; T128-I130 PolarHBondContact O-N 3.26Å; I130-R134 WeakPolarHBondContact O-CG 3.29Å; I130-R134 PolarHBondContact O-N 3.11Å
131	K	90	Very high	87.9	Confident	164 Å²	164	57 Å²	57	71%	0.713	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-45.3	176	-171.2	-178	177.7	-174.4	0	111.3	A127 T128 M129 R134 A135	A127-K131 PolarHBondContact O-N 3.43Å; T128-K131 WeakPolarHBondContact O-CB 3.47Å; T128-K131 PolarHBondContact O-N 2.93Å; M129-K131 VanDerWaalsContact C-N 3.29Å; M129-K131 PolarHBondContact O-N 3.48Å; K131-R134 PolarHBondContact O-N 3.33Å; K131-A135 PolarHBondContact O-N 2.82Å
132	A	90.7	Very high	88.3	Confident	11 Å²	11	54.8 Å²	54.8	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.9	0	0	0	0	0	112.2	D108 M109 S112 T128 M129 R134 A135 L136	D108-A132 HydrophobicContact CB-CB 4.49Å; M109-A132 HydrophobicContact CB-CB 4.32Å; M109-A132 HydrophobicContact SD-CB 4.12Å; S112-A132 WeakPolarHBondContact OG-CB 3.35Å; T128-A132 PolarHBondContact O-N 2.98Å; M129-A132 PolarHBondContact O-N 3.15Å; A132-R134 PolarHBondContact O-N 3.06Å; A132-A135 PolarHBondContact O-N 2.72Å; A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 2.89Å
133	A	88.6	Confident	88.7	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-46.8	174.5	0	0	0	0	0	112.6	V38 M109 M129 L136 L137	V38-A133 HydrophobicContact CG1-CB 3.45Å; V38-A133 VanDerWaalsContact CG1-CB 3.45Å; M109-A133 HydrophobicContact CE-CB 3.95Å; M109-A133 VanDerWaalsContact SD-CA 3.56Å; M109-A133 HydrophobicContact SD-CB 3.82Å; M109-A133 PolarHBondContact SD-N 2.8Å; M109-A133 VanDerWaalsContact SD-N 3.43Å; M129-A133 VanDerWaalsContact O-CB 3.27Å; M129-A133 WeakPolarHBondContact O-CB 3.11Å; M129-A133 PolarHBondContact O-N 3.39Å; A133-L136 PolarHBondContact O-N 3.3Å; A133-L137 WeakPolarHBondContact O-CG 3.2Å; A133-L137 PolarHBondContact O-N 2.88Å
134	R	87.4	Confident	89	Confident	184 Å²	184	50.7 Å²	50.7	69%	0.694	26%	0.263	S	S	*	.	H	α-helix	trans	-63.5	-41.7	176.2	-73.9	176.6	179.2	167.5	-0	111.8	I130 K131 A132 L137 S138	I130-R134 WeakPolarHBondContact O-CG 3.29Å; I130-R134 PolarHBondContact O-N 3.11Å; K131-R134 PolarHBondContact O-N 3.33Å; A132-R134 PolarHBondContact O-N 3.06Å; R134-L137 PolarHBondContact O-N 3.31Å; R134-S138 WeakPolarHBondContact O-CB 3.35Å; R134-S138 PolarHBondContact O-N 2.95Å
135	A	90.9	Very high	88.9	Confident	41 Å²	41	47.8 Å²	47.8	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-42.9	176.5	0	0	0	0	0	111.8	T105 K131 A132 S138 S139	T105-A135 HydrophobicContact CG2-CB 3.96Å; K131-A135 PolarHBondContact O-N 2.82Å; A132-A135 PolarHBondContact O-N 2.72Å; A135-S138 PolarHBondContact O-N 2.98Å; A135-S139 WeakPolarHBondContact O-CB 3.33Å; A135-S139 PolarHBondContact O-N 3.05Å; A135-S139 PolarHBondContact O-OG 3.25Å
136	L	91.3	Very high	88.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-45.7	175.7	177	64.1	0	0	0	112.4	V70 I74 M109 A132 A133 S138 S139 V140	V70-L136 HydrophobicContact CG1-CD2 4.05Å; I74-L136 HydrophobicContact CD1-CD1 4.27Å; I74-L136 HydrophobicContact CD1-CD2 3.88Å; I74-L136 HydrophobicContact CG1-CD1 4.09Å; I74-L136 HydrophobicContact CG1-CD2 4.15Å; M109-L136 HydrophobicContact CB-CB 4.36Å; M109-L136 HydrophobicContact CB-CD2 3.99Å; M109-L136 HydrophobicContact CG-CD2 3.73Å; A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 2.89Å; A133-L136 PolarHBondContact O-N 3.3Å; L136-S138 VanDerWaalsContact C-N 3.26Å; L136-S138 PolarHBondContact O-N 3.32Å; L136-S139 WeakPolarHBondContact CA-OG 3.31Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 PolarHBondContact O-OG 3.43Å; L136-V140 HydrophobicContact CD1-CG2 3.77Å; L136-V140 HydrophobicContact CG-CG2 4.28Å; L136-V140 WeakPolarHBondContact O-CB 3.19Å; L136-V140 WeakPolarHBondContact O-CG2 3.14Å; L136-V140 PolarHBondContact O-N 2.89Å
137	L	88.5	Confident	89.1	Confident	36 Å²	36	41.9 Å²	41.9	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-38.9	177.8	-71.4	177.2	0	0	0	111	L34 V35 V38 A133 R134 T141	L34-L137 HydrophobicContact CD2-CD2 4.1Å; L34-L137 HydrophobicContact CG-CD2 4.05Å; V35-L137 HydrophobicContact CG2-CD2 3.81Å; V38-L137 HydrophobicContact CB-CD1 4.49Å; V38-L137 HydrophobicContact CB-CD2 4.49Å; V38-L137 HydrophobicContact CG1-CD1 4.02Å; V38-L137 HydrophobicContact CG1-CG 4.32Å; V38-L137 HydrophobicContact CG2-CD2 4.32Å; A133-L137 WeakPolarHBondContact O-CG 3.2Å; A133-L137 PolarHBondContact O-N 2.88Å; R134-L137 PolarHBondContact O-N 3.31Å; L137-T141 VanDerWaalsContact O-CB 3.27Å; L137-T141 WeakPolarHBondContact O-CB 3.43Å; L137-T141 PolarHBondContact O-N 3.32Å; L137-T141 PolarHBondContact O-OG1 3.36Å
138	S	89.4	Confident	89.2	Confident	76 Å²	76	39.9 Å²	39.9	53%	0.531	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-45.6	175	-166.6	0	0	0	0	112.1	R134 A135 L136 T141 R142	R134-S138 WeakPolarHBondContact O-CB 3.35Å; R134-S138 PolarHBondContact O-N 2.95Å; A135-S138 PolarHBondContact O-N 2.98Å; L136-S138 VanDerWaalsContact C-N 3.26Å; L136-S138 PolarHBondContact O-N 3.32Å; S138-T141 PolarHBondContact O-N 2.73Å; S138-R142 WeakPolarHBondContact O-CB 3.35Å; S138-R142 PolarHBondContact O-N 3.41Å
139	S	90.9	Very high	89	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-39.5	-178.9	65.3	0	0	0	0	112.5	E101 V102 T105 A135 L136 R142 L143	E101-S139 WeakPolarHBondContact OE2-CA 3.43Å; E101-S139 WeakPolarHBondContact OE2-CB 3.29Å; V102-S139 WeakPolarHBondContact CG2-O 3.33Å; T105-S139 WeakPolarHBondContact OG1-CB 3.31Å; T105-S139 PolarHBondContact OG1-OG 3.28Å; A135-S139 WeakPolarHBondContact O-CB 3.33Å; A135-S139 PolarHBondContact O-N 3.05Å; A135-S139 PolarHBondContact O-OG 3.25Å; L136-S139 WeakPolarHBondContact CA-OG 3.31Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 PolarHBondContact O-OG 3.43Å; S139-R142 WeakPolarHBondContact O-CB 3.46Å; S139-R142 PolarHBondContact O-N 3.11Å; S139-L143 PolarHBondContact O-N 3.25Å
140	V	91.3	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-41.7	175	173.2	0	0	0	0	111.1	L31 L34 F77 V102 L136 R142 L143 L144	L31-V140 HydrophobicContact CD1-CG1 4.12Å; L34-V140 HydrophobicContact CD2-CB 3.96Å; L34-V140 HydrophobicContact CD2-CG1 3.78Å; L34-V140 HydrophobicContact CD2-CG2 3.79Å; F77-V140 HydrophobicContact CD1-CG1 4.38Å; F77-V140 HydrophobicContact CD2-CG1 4.19Å; F77-V140 HydrophobicContact CD2-CG2 4.47Å; F77-V140 HydrophobicContact CE1-CG1 4.04Å; F77-V140 HydrophobicContact CE2-CG1 3.83Å; F77-V140 HydrophobicContact CG-CG1 4.47Å; F77-V140 HydrophobicContact CZ-CG1 3.75Å; V102-V140 HydrophobicContact CG1-CG2 4.15Å; V102-V140 HydrophobicContact CG2-CG2 4.15Å; L136-V140 HydrophobicContact CD1-CG2 3.77Å; L136-V140 HydrophobicContact CG-CG2 4.28Å; L136-V140 WeakPolarHBondContact O-CB 3.19Å; L136-V140 WeakPolarHBondContact O-CG2 3.14Å; L136-V140 PolarHBondContact O-N 2.89Å; V140-R142 VanDerWaalsContact C-N 3.27Å; V140-R142 PolarHBondContact O-N 3.25Å; V140-L143 PolarHBondContact O-N 2.81Å; V140-L144 HydrophobicContact CG1-CD1 4.25Å; V140-L144 HydrophobicContact CG1-CG 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.33Å; V140-L144 PolarHBondContact O-N 3.42Å
141	T	87.9	Confident	88.8	Confident	27 Å²	27	41 Å²	41	17%	0.166	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-41.9	173.9	-56.7	0	0	0	0	110.5	I22 L31 L137 S138 L144 I145	I22-T141 HydrophobicContact CD1-CG2 4.33Å; I22-T141 HydrophobicContact CG1-CG2 4.48Å; L31-T141 WeakPolarHBondContact CD2-OG1 3.35Å; L137-T141 VanDerWaalsContact O-CB 3.27Å; L137-T141 WeakPolarHBondContact O-CB 3.43Å; L137-T141 PolarHBondContact O-N 3.32Å; L137-T141 PolarHBondContact O-OG1 3.36Å; S138-T141 PolarHBondContact O-N 2.73Å; T141-L144 PolarHBondContact O-N 3.23Å; T141-I145 HydrophobicContact CG2-CD1 3.9Å; T141-I145 WeakPolarHBondContact O-CG1 3.45Å; T141-I145 PolarHBondContact O-N 2.98Å
142	R	89.4	Confident	88.7	Confident	75 Å²	75	33.9 Å²	33.9	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-45.8	174.7	-165.2	163.7	72.3	122.9	8.5	112.8	M20 E101 S138 S139 V140 L144 I145 V146	M20-R142 HydrophobicContact CE-CB 3.56Å; M20-R142 HydrophobicContact CE-CG 3.6Å; M20-R142 HydrophobicContact SD-CG 4.14Å; E101-R142 IonicContact OE1-CZ 2.72Å; E101-R142 IonicContact OE1-NE 2.89Å; E101-R142 IonicContact OE1-NH2 2.64Å; E101-R142 PolarHBondContact OE1-NH2 3.39Å; E101-R142 IonicContact OE2-CZ 3.06Å; E101-R142 IonicContact OE2-NE 3.2Å; E101-R142 PolarHBondContact OE2-NE 3.43Å; E101-R142 IonicContact OE2-NH2 2.64Å; E101-R142 PolarHBondContact OE2-NH2 3.26Å; S138-R142 WeakPolarHBondContact O-CB 3.35Å; S138-R142 PolarHBondContact O-N 3.41Å; S139-R142 WeakPolarHBondContact O-CB 3.46Å; S139-R142 PolarHBondContact O-N 3.11Å; V140-R142 VanDerWaalsContact C-N 3.27Å; V140-R142 PolarHBondContact O-N 3.25Å; R142-L144 VanDerWaalsContact C-N 3.33Å; R142-L144 PolarHBondContact O-N 2.89Å; R142-I145 PolarHBondContact O-N 2.8Å; R142-V146 VanDerWaalsContact O-CG2 3.3Å; R142-V146 WeakPolarHBondContact O-CG2 3.4Å; R142-V146 PolarHBondContact O-N 2.97Å
143	L	90.5	Very high	88.4	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-46.1	175.8	176.3	64.4	0	0	0	111.6	F77 L95 A98 L99 V102 S139 V140 V146 A147	F77-L143 HydrophobicContact CB-CD2 4.17Å; L95-L143 HydrophobicContact CD1-CD1 3.51Å; A98-L143 HydrophobicContact CB-CB 4.34Å; A98-L143 HydrophobicContact CB-CD1 3.97Å; L99-L143 HydrophobicContact CD2-CD1 3.86Å; L99-L143 HydrophobicContact CD2-CD2 4.06Å; L99-L143 HydrophobicContact CG-CD1 4Å; V102-L143 HydrophobicContact CG2-CB 3.99Å; V102-L143 HydrophobicContact CG2-CD2 4.01Å; S139-L143 PolarHBondContact O-N 3.25Å; V140-L143 PolarHBondContact O-N 2.81Å; L143-V146 PolarHBondContact O-N 2.93Å; L143-A147 PolarHBondContact O-N 3.33Å
144	L	90.3	Very high	88.4	Confident	21 Å²	21	36.5 Å²	36.5	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-39.2	179.3	-72.1	177.7	0	0	0	112.8	V27 T30 L31 F77 V140 T141 R142 A147 D148	V27-L144 HydrophobicContact CG1-CB 3.92Å; V27-L144 HydrophobicContact CG1-CD1 4.28Å; V27-L144 HydrophobicContact CG2-CB 4.23Å; T30-L144 HydrophobicContact CG2-CD1 4.18Å; T30-L144 HydrophobicContact CG2-CD2 3.94Å; L31-L144 HydrophobicContact CB-CD1 4.12Å; F77-L144 HydrophobicContact CE1-CD1 4.36Å; F77-L144 HydrophobicContact CE1-CD2 4Å; F77-L144 HydrophobicContact CE1-CG 4.35Å; V140-L144 HydrophobicContact CG1-CD1 4.25Å; V140-L144 HydrophobicContact CG1-CG 4.48Å; V140-L144 WeakPolarHBondContact O-CG 3.33Å; V140-L144 PolarHBondContact O-N 3.42Å; T141-L144 PolarHBondContact O-N 3.23Å; R142-L144 VanDerWaalsContact C-N 3.33Å; R142-L144 PolarHBondContact O-N 2.89Å; L144-A147 PolarHBondContact O-N 2.93Å; L144-D148 WeakPolarHBondContact O-CB 3.39Å; L144-D148 PolarHBondContact O-N 3.38Å
145	I	87.1	Confident	88.6	Confident	18 Å²	18	28.1 Å²	28.1	9%	0.092	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-42.5	174.4	-71.5	170.4	0	0	0	110.5	M20 I22 T141 R142 A147 D148 M149	M20-I145 HydrophobicContact CB-CD1 3.86Å; M20-I145 HydrophobicContact CE-CD1 3.67Å; M20-I145 HydrophobicContact CG-CD1 4.47Å; I22-I145 HydrophobicContact CG1-CD1 4.46Å; T141-I145 HydrophobicContact CG2-CD1 3.9Å; T141-I145 WeakPolarHBondContact O-CG1 3.45Å; T141-I145 PolarHBondContact O-N 2.98Å; R142-I145 PolarHBondContact O-N 2.8Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.36Å; I145-D148 PolarHBondContact O-N 2.93Å; I145-M149 HydrophobicContact CG2-CG 4.43Å; I145-M149 HydrophobicContact CG2-SD 3.92Å; I145-M149 WeakPolarHBondContact O-CB 3.38Å; I145-M149 WeakPolarHBondContact O-CG 3.4Å; I145-M149 PolarHBondContact O-N 3.05Å
146	V	87	Confident	88.6	Confident	11 Å²	11	26.8 Å²	26.8	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-41.9	175.6	171.2	0	0	0	0	111	Q94 L95 R142 L143 M149 I150	Q94-V146 HydrophobicContact CB-CG1 4.41Å; L95-V146 HydrophobicContact CB-CG1 4.32Å; L95-V146 HydrophobicContact CD1-CG1 4.26Å; R142-V146 VanDerWaalsContact O-CG2 3.3Å; R142-V146 WeakPolarHBondContact O-CG2 3.4Å; R142-V146 PolarHBondContact O-N 2.97Å; L143-V146 PolarHBondContact O-N 2.93Å; V146-M149 PolarHBondContact O-N 3.41Å; V146-I150 HydrophobicContact CG1-CD1 4.14Å; V146-I150 VanDerWaalsContact O-CG1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.45Å; V146-I150 PolarHBondContact O-N 3.01Å
147	A	87.7	Confident	88.5	Confident	18 Å²	18	30.6 Å²	30.6	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-45.9	175.3	0	0	0	0	0	112.2	L143 L144 I145 M149 I150 D151	L143-A147 PolarHBondContact O-N 3.33Å; L144-A147 PolarHBondContact O-N 2.93Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.36Å; A147-M149 VanDerWaalsContact C-N 3.28Å; A147-M149 PolarHBondContact O-N 3.01Å; A147-I150 WeakPolarHBondContact O-CB 3.22Å; A147-I150 PolarHBondContact O-N 3.12Å; A147-I150 VanDerWaalsContact O-N 3.12Å; A147-D151 PolarHBondContact O-N 3.47Å
148	D	88.4	Confident	88.6	Confident	18 Å²	18	33.2 Å²	33.2	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-40	175	-172.7	88.8	0	0	0	112	S24 V27 L144 I145 D151 V152 R199	S24-D148 VanDerWaalsContact CB-OD1 3.23Å; S24-D148 WeakPolarHBondContact CB-OD1 3.48Å; S24-D148 PolarHBondContact OG-OD1 3.34Å; V27-D148 HydrophobicContact CG2-CB 4.14Å; L144-D148 WeakPolarHBondContact O-CB 3.39Å; L144-D148 PolarHBondContact O-N 3.38Å; I145-D148 PolarHBondContact O-N 2.93Å; D148-D151 PolarHBondContact O-N 3.31Å; D148-V152 WeakPolarHBondContact O-CG2 3.44Å; D148-V152 PolarHBondContact O-N 2.96Å; D148-R199 IonicContact OD1-CZ 3.61Å; D148-R199 IonicContact OD1-NH1 2.9Å; D148-R199 PolarHBondContact OD1-NH1 3.01Å; D148-R199 IonicContact OD1-NH2 2.71Å; D148-R199 IonicContact OD2-CZ 2.75Å; D148-R199 IonicContact OD2-NH1 3.51Å; D148-R199 PolarHBondContact OD2-NH1 3.25Å; D148-R199 IonicContact OD2-NH2 3.44Å; D148-R199 PolarHBondContact OD2-NH2 3.46Å
149	M	84.4	Confident	88.7	Confident	45 Å²	45	29.7 Å²	29.7	22%	0.222	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-37	176.3	-71.2	172.7	69	0	0	112.4	W15 I145 V146 A147 V152 Q153	W15-M149 HydrophobicContact CB-CE 3.9Å; W15-M149 HydrophobicContact CD2-CE 3.42Å; W15-M149 VanDerWaalsContact CD2-CE 3.42Å; W15-M149 HydrophobicContact CE3-CE 4.08Å; W15-M149 HydrophobicContact CG-CE 3.31Å; W15-M149 HydrophobicContact CZ2-CE 4.35Å; I145-M149 HydrophobicContact CG2-CG 4.43Å; I145-M149 HydrophobicContact CG2-SD 3.92Å; I145-M149 WeakPolarHBondContact O-CB 3.38Å; I145-M149 WeakPolarHBondContact O-CG 3.4Å; I145-M149 PolarHBondContact O-N 3.05Å; V146-M149 PolarHBondContact O-N 3.41Å; A147-M149 VanDerWaalsContact C-N 3.28Å; A147-M149 PolarHBondContact O-N 3.01Å; M149-V152 PolarHBondContact O-N 3.26Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.37Å
150	I	85.7	Confident	88.7	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-46.2	173.8	-67.6	163.9	0	0	0	109.8	N88 A91 L95 V146 A147 V152 Q153 C154	N88-I150 HydrophobicContact CB-CG2 4.32Å; A91-I150 HydrophobicContact CB-CD1 3.64Å; A91-I150 HydrophobicContact CB-CG1 3.89Å; L95-I150 HydrophobicContact CB-CD1 4.14Å; L95-I150 HydrophobicContact CD1-CD1 4.45Å; L95-I150 HydrophobicContact CD2-CD1 3.97Å; L95-I150 HydrophobicContact CG-CD1 4.43Å; V146-I150 HydrophobicContact CG1-CD1 4.14Å; V146-I150 VanDerWaalsContact O-CG1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.45Å; V146-I150 PolarHBondContact O-N 3.01Å; A147-I150 WeakPolarHBondContact O-CB 3.22Å; A147-I150 PolarHBondContact O-N 3.12Å; A147-I150 VanDerWaalsContact O-N 3.12Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 2.96Å; I150-Q153 WeakPolarHBondContact O-CB 3.41Å; I150-Q153 PolarHBondContact O-N 3.25Å; I150-C154 PolarHBondContact O-N 3.06Å; I150-C154 PolarHBondContact O-SG 3.16Å; I150-C154 VanDerWaalsContact O-SG 3.33Å
151	D	86.5	Confident	88.7	Confident	98 Å²	98	38.6 Å²	38.6	52%	0.524	19%	0.187	S	C	.	.	H	α-helix	trans	-57.5	-44.9	176.1	-73.3	-25.6	0	0	0	111.6	A147 D148 Q153 C154 I155	A147-D151 PolarHBondContact O-N 3.47Å; D148-D151 PolarHBondContact O-N 3.31Å; D151-Q153 VanDerWaalsContact C-N 3.31Å; D151-Q153 PolarHBondContact O-N 3.13Å; D151-C154 WeakPolarHBondContact O-CB 3.36Å; D151-C154 PolarHBondContact O-N 3.1Å; D151-I155 WeakPolarHBondContact O-CG1 3.46Å; D151-I155 PolarHBondContact O-N 3.4Å; D151-I155 VanDerWaalsContact O-N 3.11Å
152	V	88.7	Confident	89	Confident	14 Å²	14	37.3 Å²	37.3	9%	0.085	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-42.8	174.9	169.6	0	0	0	0	111.3	D148 M149 I150 I155 V156 L264	D148-V152 WeakPolarHBondContact O-CG2 3.44Å; D148-V152 PolarHBondContact O-N 2.96Å; M149-V152 PolarHBondContact O-N 3.26Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 2.96Å; V152-I155 PolarHBondContact O-N 3.36Å; V152-V156 HydrophobicContact CG1-CG2 4.41Å; V152-V156 WeakPolarHBondContact O-CG2 3.32Å; V152-V156 PolarHBondContact O-N 3.4Å; V152-L264 HydrophobicContact CG1-CB 3.94Å; V152-L264 HydrophobicContact CG1-CD2 4.4Å
153	Q	84.5	Confident	89.3	Confident	32 Å²	32	35.7 Å²	35.7	15%	0.15	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-37.6	177.4	-75.1	-174	-24	0	0	112.8	L13 W15 M149 I150 D151 I155 V156 Q157	L13-Q153 VanDerWaalsContact CD2-NE2 3.3Å; W15-Q153 HydrophobicContact CZ2-CG 4.29Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.37Å; I150-Q153 WeakPolarHBondContact O-CB 3.41Å; I150-Q153 PolarHBondContact O-N 3.25Å; D151-Q153 VanDerWaalsContact C-N 3.31Å; D151-Q153 PolarHBondContact O-N 3.13Å; Q153-I155 VanDerWaalsContact C-N 3.28Å; Q153-I155 PolarHBondContact O-N 3.03Å; Q153-V156 PolarHBondContact O-N 3.4Å; Q153-Q157 WeakPolarHBondContact O-CB 3Å; Q153-Q157 PolarHBondContact O-N 3.35Å
154	C	88.9	Confident	89.6	Confident	37 Å²	37	38.4 Å²	38.4	25%	0.25	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-41.3	172.9	-65.4	0	0	0	0	111.3	I150 D151 Q157 R158	I150-C154 PolarHBondContact O-N 3.06Å; I150-C154 PolarHBondContact O-SG 3.16Å; I150-C154 VanDerWaalsContact O-SG 3.33Å; D151-C154 WeakPolarHBondContact O-CB 3.36Å; D151-C154 PolarHBondContact O-N 3.1Å; C154-Q157 PolarHBondContact O-N 2.94Å; C154-R158 WeakPolarHBondContact O-CG 3.4Å; C154-R158 PolarHBondContact O-N 3.08Å
155	I	91	Very high	89.8	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.046	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-49.5	174.9	-59.8	172.8	0	0	0	110.1	D151 V152 Q153 Q157 R158 M159 L192 D195 R199 L264	D151-I155 WeakPolarHBondContact O-CG1 3.46Å; D151-I155 PolarHBondContact O-N 3.4Å; D151-I155 VanDerWaalsContact O-N 3.11Å; V152-I155 PolarHBondContact O-N 3.36Å; Q153-I155 VanDerWaalsContact C-N 3.28Å; Q153-I155 PolarHBondContact O-N 3.03Å; I155-Q157 VanDerWaalsContact C-N 3.27Å; I155-Q157 PolarHBondContact O-N 3.21Å; I155-R158 WeakPolarHBondContact O-CB 3.33Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.15Å; I155-M159 HydrophobicContact CG2-CG 4.47Å; I155-M159 HydrophobicContact CG2-SD 4.12Å; I155-M159 VanDerWaalsContact O-CG 3.22Å; I155-M159 WeakPolarHBondContact O-CG 3.35Å; I155-M159 PolarHBondContact O-N 3.08Å; I155-L192 HydrophobicContact CG2-CD1 3.89Å; I155-D195 HydrophobicContact CD1-CB 4.32Å; I155-D195 HydrophobicContact CG1-CB 3.97Å; I155-R199 HydrophobicContact CD1-CB 3.77Å; I155-R199 HydrophobicContact CD1-CG 4.06Å; I155-L264 HydrophobicContact CB-CD1 4.04Å; I155-L264 HydrophobicContact CG2-CD1 3.53Å
156	V	90.6	Very high	90.2	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-38.7	178	170.9	0	0	0	0	111.7	V152 Q153 M159 R160 E261 L264	V152-V156 HydrophobicContact CG1-CG2 4.41Å; V152-V156 WeakPolarHBondContact O-CG2 3.32Å; V152-V156 PolarHBondContact O-N 3.4Å; Q153-V156 PolarHBondContact O-N 3.4Å; V156-M159 WeakPolarHBondContact O-CB 3.45Å; V156-M159 PolarHBondContact O-N 2.89Å; V156-R160 WeakPolarHBondContact O-CG 3.34Å; V156-R160 PolarHBondContact O-N 2.87Å; V156-E261 HydrophobicContact CG1-CG 4.18Å; V156-E261 HydrophobicContact CG2-CG 4.41Å; V156-L264 HydrophobicContact CG2-CB 4.31Å; V156-L264 HydrophobicContact CG2-CD1 4.02Å
157	Q	89.6	Confident	90.7	Very high	80 Å²	80	40.8 Å²	40.8	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-45.9	176.1	-173.6	56.1	45.4	0	0	111.5	Q153 C154 I155 M159 R160 D161	Q153-Q157 WeakPolarHBondContact O-CB 3Å; Q153-Q157 PolarHBondContact O-N 3.35Å; C154-Q157 PolarHBondContact O-N 2.94Å; I155-Q157 VanDerWaalsContact C-N 3.27Å; I155-Q157 PolarHBondContact O-N 3.21Å; Q157-M159 PolarHBondContact O-N 3.34Å; Q157-R160 WeakPolarHBondContact O-CB 3.13Å; Q157-R160 PolarHBondContact O-N 2.78Å; Q157-D161 PolarHBondContact NE2-OD1 3.5Å; Q157-D161 VanDerWaalsContact O-CG 3.26Å; Q157-D161 PolarHBondContact O-N 2.94Å
158	R	90.7	Very high	91	Very high	90 Å²	90	42.9 Å²	42.9	34%	0.34	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-35.9	173.7	-73.7	179.7	179.9	115.8	7.6	112.2	C154 I155 D161 A162 D195	C154-R158 WeakPolarHBondContact O-CG 3.4Å; C154-R158 PolarHBondContact O-N 3.08Å; I155-R158 WeakPolarHBondContact O-CB 3.33Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.15Å; R158-D161 PolarHBondContact O-N 2.74Å; R158-A162 WeakPolarHBondContact O-CB 3.28Å; R158-A162 PolarHBondContact O-N 3.42Å; R158-D195 WeakPolarHBondContact CD-OD2 3.37Å; R158-D195 IonicContact CZ-OD2 3.75Å; R158-D195 IonicContact NE-OD2 2.67Å; R158-D195 PolarHBondContact NE-OD2 3.42Å; R158-D195 IonicContact NH1-OD1 3.62Å; R158-D195 IonicContact NH1-OD2 2.96Å; R158-D195 PolarHBondContact NH1-OD2 2.75Å
159	M	91.2	Very high	91.3	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-40.4	174.9	-63.9	170.2	59	0	0	113.1	I155 V156 Q157 D161 A162 Q163 L192 L257 I260 E261 L264	I155-M159 HydrophobicContact CG2-CG 4.47Å; I155-M159 HydrophobicContact CG2-SD 4.12Å; I155-M159 VanDerWaalsContact O-CG 3.22Å; I155-M159 WeakPolarHBondContact O-CG 3.35Å; I155-M159 PolarHBondContact O-N 3.08Å; V156-M159 WeakPolarHBondContact O-CB 3.45Å; V156-M159 PolarHBondContact O-N 2.89Å; Q157-M159 PolarHBondContact O-N 3.34Å; M159-D161 VanDerWaalsContact C-N 3.31Å; M159-A162 WeakPolarHBondContact O-CB 3.43Å; M159-A162 PolarHBondContact O-N 3.28Å; M159-Q163 WeakPolarHBondContact O-CB 3.49Å; M159-Q163 PolarHBondContact O-N 2.91Å; M159-L192 HydrophobicContact CB-CD2 4.42Å; M159-L192 HydrophobicContact CG-CD1 3.27Å; M159-L192 HydrophobicContact CG-CD2 3.68Å; M159-L192 HydrophobicContact CG-CG 4.12Å; M159-L192 HydrophobicContact SD-CD1 4.21Å; M159-L257 WeakPolarHBondContact CE-O 3.33Å; M159-I260 HydrophobicContact CE-CB 3.51Å; M159-I260 HydrophobicContact CE-CG2 3.74Å; M159-I260 HydrophobicContact SD-CB 3.98Å; M159-I260 HydrophobicContact SD-CG2 3.47Å; M159-I260 WeakPolarHBondContact SD-CG2 3.43Å; M159-E261 HydrophobicContact CE-CB 3.68Å; M159-E261 VanDerWaalsContact CE-N 3.29Å; M159-L264 HydrophobicContact SD-CD1 3.9Å
160	R	91.2	Very high	91.8	Very high	124 Å²	124	43.2 Å²	43.2	47%	0.468	22%	0.219	S	C	.	.	H	α-helix	trans	-65.1	-37.4	174.8	-71.4	174.2	-176.4	161.3	4.3	111.4	V156 Q157 Q163 S164 E261	V156-R160 WeakPolarHBondContact O-CG 3.34Å; V156-R160 PolarHBondContact O-N 2.87Å; Q157-R160 WeakPolarHBondContact O-CB 3.13Å; Q157-R160 PolarHBondContact O-N 2.78Å; R160-Q163 PolarHBondContact O-N 3.44Å; R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 3.12Å; R160-E261 IonicContact CZ-OE1 3.91Å; R160-E261 IonicContact NE-OE1 3.43Å; R160-E261 PolarHBondContact NE-OE1 3.48Å; R160-E261 IonicContact NH2-OE1 3.67Å; R160-E261 PolarHBondContact NH2-OE1 3.38Å
161	D	92.3	Very high	92.2	Very high	62 Å²	62	49.3 Å²	49.3	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-41.5	173.5	-61.6	-16	0	0	0	111	Q157 R158 M159 S164 T165	Q157-D161 PolarHBondContact NE2-OD1 3.5Å; Q157-D161 VanDerWaalsContact O-CG 3.26Å; Q157-D161 PolarHBondContact O-N 2.94Å; R158-D161 PolarHBondContact O-N 2.74Å; M159-D161 VanDerWaalsContact C-N 3.31Å; D161-S164 PolarHBondContact O-N 2.89Å; D161-T165 WeakPolarHBondContact O-CG2 3.34Å; D161-T165 PolarHBondContact O-N 3.4Å; D161-T165 PolarHBondContact O-OG1 2.95Å
162	A	94.2	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-41.9	172.1	0	0	0	0	0	112	R158 M159 T165 L166 Q188 I189 L257	R158-A162 WeakPolarHBondContact O-CB 3.28Å; R158-A162 PolarHBondContact O-N 3.42Å; M159-A162 WeakPolarHBondContact O-CB 3.43Å; M159-A162 PolarHBondContact O-N 3.28Å; A162-T165 WeakPolarHBondContact CA-OG1 3.22Å; A162-T165 PolarHBondContact O-N 2.99Å; A162-T165 PolarHBondContact O-OG1 3.22Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 PolarHBondContact O-N 2.83Å; A162-Q188 HydrophobicContact CB-CB 4.02Å; A162-I189 HydrophobicContact CB-CD1 4.2Å; A162-L257 HydrophobicContact CB-CD1 4.26Å; A162-L257 HydrophobicContact CB-CD2 4.19Å
163	Q	95.2	Very high	92.9	Very high	42 Å²	42	49.9 Å²	49.9	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-42	175.5	-172.3	64	49.6	0	0	111.5	M159 R160 T165 L166 D167 S254 L257	M159-Q163 WeakPolarHBondContact O-CB 3.49Å; M159-Q163 PolarHBondContact O-N 2.91Å; R160-Q163 PolarHBondContact O-N 3.44Å; Q163-T165 PolarHBondContact O-N 2.64Å; Q163-L166 WeakPolarHBondContact O-CB 3.12Å; Q163-L166 PolarHBondContact O-N 3.14Å; Q163-D167 PolarHBondContact NE2-OD1 3.41Å; Q163-D167 VanDerWaalsContact O-CG 3.28Å; Q163-D167 PolarHBondContact O-N 2.94Å; Q163-S254 PolarHBondContact NE2-OG 3.37Å; Q163-L257 HydrophobicContact CB-CD1 4.25Å
164	S	95.7	Very high	93.4	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-42.6	176.8	-174.4	0	0	0	0	112.1	R160 D161 L166 D167 N168	R160-S164 WeakPolarHBondContact O-CB 3.26Å; R160-S164 PolarHBondContact O-N 3.12Å; D161-S164 PolarHBondContact O-N 2.89Å; S164-L166 VanDerWaalsContact C-N 3.34Å; S164-D167 PolarHBondContact O-N 3.27Å; S164-N168 WeakPolarHBondContact O-CB 3.3Å; S164-N168 VanDerWaalsContact O-CG 3.23Å; S164-N168 PolarHBondContact O-N 2.91Å; S164-N168 PolarHBondContact O-ND2 2.71Å
165	T	95.3	Very high	93.6	Very high	26 Å²	26	51.9 Å²	51.9	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-34	175.8	49.2	0	0	0	0	112.2	D161 A162 Q163 N168 L169 Q188	D161-T165 WeakPolarHBondContact O-CG2 3.34Å; D161-T165 PolarHBondContact O-N 3.4Å; D161-T165 PolarHBondContact O-OG1 2.95Å; A162-T165 WeakPolarHBondContact CA-OG1 3.22Å; A162-T165 PolarHBondContact O-N 2.99Å; A162-T165 PolarHBondContact O-OG1 3.22Å; Q163-T165 PolarHBondContact O-N 2.64Å; T165-N168 PolarHBondContact O-N 3.08Å; T165-L169 WeakPolarHBondContact O-CB 3.27Å; T165-L169 PolarHBondContact O-N 2.82Å; T165-Q188 HydrophobicContact CG2-CG 4.22Å
166	L	96.3	Very high	93.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-45.2	171.3	-172.2	62.1	0	0	0	112.3	A162 Q163 S164 N168 L169 N170 F185 L226 L250 M253 S254 L257	A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 PolarHBondContact O-N 2.83Å; Q163-L166 WeakPolarHBondContact O-CB 3.12Å; Q163-L166 PolarHBondContact O-N 3.14Å; S164-L166 VanDerWaalsContact C-N 3.34Å; L166-N168 VanDerWaalsContact C-N 3.3Å; L166-N168 PolarHBondContact O-N 3.28Å; L166-L169 WeakPolarHBondContact O-CB 3.48Å; L166-L169 PolarHBondContact O-N 3.05Å; L166-L169 VanDerWaalsContact O-N 3.14Å; L166-N170 PolarHBondContact O-N 3.03Å; L166-F185 HydrophobicContact CB-CD2 4.04Å; L166-F185 HydrophobicContact CB-CE2 3.73Å; L166-F185 HydrophobicContact CB-CZ 4.45Å; L166-F185 HydrophobicContact CD1-CD2 4.4Å; L166-F185 HydrophobicContact CD1-CE1 4.23Å; L166-F185 HydrophobicContact CD1-CE2 3.86Å; L166-F185 HydrophobicContact CD1-CZ 3.74Å; L166-F185 HydrophobicContact CG-CE2 4.26Å; L166-L226 HydrophobicContact CD1-CD1 4.46Å; L166-L226 HydrophobicContact CD1-CD2 3.6Å; L166-L250 HydrophobicContact CD1-CD2 3.53Å; L166-L250 HydrophobicContact CG-CD2 3.92Å; L166-M253 HydrophobicContact CD1-CB 4.3Å; L166-M253 HydrophobicContact CD2-CB 3.72Å; L166-S254 WeakPolarHBondContact CD2-OG 3.49Å; L166-L257 HydrophobicContact CD2-CD1 4.37Å
167	D	95.6	Very high	94.1	Very high	74 Å²	74	58.6 Å²	58.6	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-36.6	176.9	-68.8	-19.3	0	0	0	111.5	Q163 S164 N170 K171	Q163-D167 PolarHBondContact NE2-OD1 3.41Å; Q163-D167 VanDerWaalsContact O-CG 3.28Å; Q163-D167 PolarHBondContact O-N 2.94Å; S164-D167 PolarHBondContact O-N 3.27Å; D167-N170 PolarHBondContact O-N 3.36Å; D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 2.93Å
168	N	95	Very high	94.4	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-41.3	172.4	-70.5	-25.6	0	0	0	111.2	S164 T165 L166 N170 K171 R181	S164-N168 WeakPolarHBondContact O-CB 3.3Å; S164-N168 VanDerWaalsContact O-CG 3.23Å; S164-N168 PolarHBondContact O-N 2.91Å; S164-N168 PolarHBondContact O-ND2 2.71Å; T165-N168 PolarHBondContact O-N 3.08Å; L166-N168 VanDerWaalsContact C-N 3.3Å; L166-N168 PolarHBondContact O-N 3.28Å; N168-N170 VanDerWaalsContact C-N 3.3Å; N168-N170 PolarHBondContact O-N 3.44Å; N168-K171 PolarHBondContact O-N 3.48Å; N168-K171 VanDerWaalsContact O-N 3.11Å; N168-R181 WeakPolarHBondContact O-CD 3.34Å; N168-R181 PolarHBondContact O-NH1 3.47Å
169	L	95.1	Very high	94.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-39.2	175.2	179.6	62.5	0	0	0	111.9	T165 L166 K171 A172 V178 R181 F182 L226	T165-L169 WeakPolarHBondContact O-CB 3.27Å; T165-L169 PolarHBondContact O-N 2.82Å; L166-L169 WeakPolarHBondContact O-CB 3.48Å; L166-L169 PolarHBondContact O-N 3.05Å; L166-L169 VanDerWaalsContact O-N 3.14Å; L169-K171 PolarHBondContact O-N 3.17Å; L169-A172 VanDerWaalsContact O-CB 3.22Å; L169-A172 WeakPolarHBondContact O-CB 3.41Å; L169-A172 PolarHBondContact O-N 2.96Å; L169-A172 VanDerWaalsContact O-N 3.08Å; L169-V178 HydrophobicContact CD1-CB 4.5Å; L169-V178 HydrophobicContact CD1-CG1 4.14Å; L169-R181 HydrophobicContact CB-CB 4.35Å; L169-R181 HydrophobicContact CD1-CB 3.98Å; L169-F182 HydrophobicContact CD1-CB 4.21Å; L169-F182 HydrophobicContact CD2-CB 4.5Å; L169-F182 HydrophobicContact CD2-CD2 3.94Å; L169-L226 HydrophobicContact CD2-CD1 4.5Å; L169-L226 HydrophobicContact CD2-CD2 3.77Å; L169-L226 HydrophobicContact CD2-CG 4.05Å
170	N	94.5	Very high	94.9	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-30.3	175.4	-174.6	27	0	0	0	113.1	L166 D167 N168 A172 R246 L250	L166-N170 PolarHBondContact O-N 3.03Å; D167-N170 PolarHBondContact O-N 3.36Å; N168-N170 VanDerWaalsContact C-N 3.3Å; N168-N170 PolarHBondContact O-N 3.44Å; N170-A172 VanDerWaalsContact C-N 3.27Å; N170-A172 PolarHBondContact O-N 2.7Å; N170-R246 PolarHBondContact OD1-NH1 2.97Å; N170-L250 HydrophobicContact CB-CD1 3.87Å; N170-L250 HydrophobicContact CB-CD2 4.2Å; N170-L250 VanDerWaalsContact OD1-CD1 3.31Å; N170-L250 WeakPolarHBondContact OD1-CD1 3.24Å
171	K	94.2	Very high	95.1	Very high	136 Å²	136	55.6 Å²	55.6	59%	0.591	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.7	177.5	-63.6	169.1	-171	167.3	0	113.6	D167 N168 L169 R181	D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 2.93Å; N168-K171 PolarHBondContact O-N 3.48Å; N168-K171 VanDerWaalsContact O-N 3.11Å; L169-K171 PolarHBondContact O-N 3.17Å; K171-R181 PolarHBondContact O-NH1 3.04Å
172	A	94.7	Very high	95.3	Very high	9 Å²	9	53.4 Å²	53.4	7%	0.074	28%	0.275	C	S	.	.			trans	-68.2	139.2	-179.2	0	0	0	0	0	111.2	L169 N170 E177 V178 R181 V234	L169-A172 VanDerWaalsContact O-CB 3.22Å; L169-A172 WeakPolarHBondContact O-CB 3.41Å; L169-A172 PolarHBondContact O-N 2.96Å; L169-A172 VanDerWaalsContact O-N 3.08Å; N170-A172 VanDerWaalsContact C-N 3.27Å; N170-A172 PolarHBondContact O-N 2.7Å; A172-E177 HydrophobicContact CB-CB 4.32Å; A172-E177 HydrophobicContact CB-CG 3.94Å; A172-V178 HydrophobicContact CB-CB 4.48Å; A172-V178 HydrophobicContact CB-CG2 3.57Å; A172-R181 VanDerWaalsContact N-NH1 3.2Å; A172-V234 WeakPolarHBondContact O-CG2 3.36Å
173	T	94.2	Very high	95.4	Very high	115 Å²	115	61 Å²	61	71%	0.706	30%	0.303	S	S	*	.			trans	-118.7	-9.5	-174.3	63.4	0	0	0	0	113.3	E177 V234	T173-E177 PolarHBondContact N-OE2 2.98Å; T173-E177 PolarHBondContact OG1-OE2 3.35Å; T173-V234 VanDerWaalsContact C-CG1 3.44Å; T173-V234 VanDerWaalsContact O-CG1 3.29Å; T173-V234 WeakPolarHBondContact O-CG1 3.11Å
174	S	95.3	Very high	95.4	Very high	49 Å²	49	63.6 Å²	63.6	34%	0.343	32%	0.319	S	S	.	.	S	Bend	trans	-135.4	157.2	175.2	73.2	0	0	0	0	111.9	Q176 E177 V178 V234	S174-Q176 VanDerWaalsContact C-N 3.25Å; S174-Q176 PolarHBondContact O-N 2.61Å; S174-E177 PolarHBondContact N-OE2 3.01Å; S174-E177 PolarHBondContact O-N 3.37Å; S174-E177 VanDerWaalsContact OG-CB 3.25Å; S174-E177 WeakPolarHBondContact OG-CB 3.21Å; S174-E177 PolarHBondContact OG-N 2.86Å; S174-E177 VanDerWaalsContact OG-N 3.16Å; S174-V178 WeakPolarHBondContact O-CG2 3.46Å; S174-V178 PolarHBondContact O-N 3.32Å; S174-V234 VanDerWaalsContact C-CG1 3.47Å; S174-V234 VanDerWaalsContact CA-CG1 3.42Å
175	Q	93.9	Very high	95.4	Very high	62 Å²	62	60.6 Å²	60.6	29%	0.29	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-32.2	177.8	-72.3	-175.7	39.1	0	0	112.8	V178 Q179	Q175-V178 PolarHBondContact O-N 3.29Å; Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 3.14Å
176	Q	94.8	Very high	95.4	Very high	127 Å²	127	64 Å²	64	59%	0.593	31%	0.31	S	S	*	.	H	α-helix	trans	-65.3	-45.7	175.2	-177.7	-179.7	-10.8	0	0	110.7	S174 V178 Q179 E180	S174-Q176 VanDerWaalsContact C-N 3.25Å; S174-Q176 PolarHBondContact O-N 2.61Å; Q176-V178 VanDerWaalsContact C-N 3.32Å; Q176-V178 PolarHBondContact O-N 2.74Å; Q176-Q179 WeakPolarHBondContact O-CB 3.33Å; Q176-Q179 PolarHBondContact O-N 3.2Å; Q176-Q179 VanDerWaalsContact O-N 3.14Å; Q176-E180 WeakPolarHBondContact CG-OE1 2.97Å; Q176-E180 PolarHBondContact NE2-OE1 3.21Å; Q176-E180 WeakPolarHBondContact O-CG 3.41Å; Q176-E180 PolarHBondContact O-N 2.8Å
177	E	96.4	Very high	95.3	Very high	36 Å²	36	72 Å²	72	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-37.6	176.3	-173	179.8	-170.9	0	0	111.8	A172 T173 S174 E180 R181	A172-E177 HydrophobicContact CB-CB 4.32Å; A172-E177 HydrophobicContact CB-CG 3.94Å; T173-E177 PolarHBondContact N-OE2 2.98Å; T173-E177 PolarHBondContact OG1-OE2 3.35Å; S174-E177 PolarHBondContact N-OE2 3.01Å; S174-E177 PolarHBondContact O-N 3.37Å; S174-E177 VanDerWaalsContact OG-CB 3.25Å; S174-E177 WeakPolarHBondContact OG-CB 3.21Å; S174-E177 PolarHBondContact OG-N 2.86Å; S174-E177 VanDerWaalsContact OG-N 3.16Å; E177-E180 PolarHBondContact O-N 2.81Å; E177-R181 WeakPolarHBondContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.34Å; E177-R181 PolarHBondContact O-N 3.19Å; E177-R181 IonicContact OE1-CZ 3.51Å; E177-R181 IonicContact OE1-NE 3Å; E177-R181 IonicContact OE1-NH1 2.85Å; E177-R181 PolarHBondContact OE1-NH1 3.29Å; E177-R181 IonicContact OE1-NH2 3.28Å; E177-R181 PolarHBondContact OE1-NH2 3.46Å
178	V	96.6	Very high	95.2	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-47.3	171.3	170.7	0	0	0	0	110.8	L169 A172 S174 Q175 Q176 F182 C230 K231 V234	L169-V178 HydrophobicContact CD1-CB 4.5Å; L169-V178 HydrophobicContact CD1-CG1 4.14Å; A172-V178 HydrophobicContact CB-CB 4.48Å; A172-V178 HydrophobicContact CB-CG2 3.57Å; S174-V178 WeakPolarHBondContact O-CG2 3.46Å; S174-V178 PolarHBondContact O-N 3.32Å; Q175-V178 PolarHBondContact O-N 3.29Å; Q176-V178 VanDerWaalsContact C-N 3.32Å; Q176-V178 PolarHBondContact O-N 2.74Å; V178-F182 WeakPolarHBondContact O-CB 3.32Å; V178-F182 PolarHBondContact O-N 3.1Å; V178-C230 HydrophobicContact CG1-CB 3.75Å; V178-C230 HydrophobicContact CG2-CB 4.18Å; V178-K231 HydrophobicContact CB-CG 4.47Å; V178-K231 HydrophobicContact CG1-CG 3.72Å; V178-V234 HydrophobicContact CG2-CB 4.44Å; V178-V234 HydrophobicContact CG2-CG2 3.83Å
179	Q	95.8	Very high	95.1	Very high	86 Å²	86	68.5 Å²	68.5	40%	0.402	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-44.6	179	-73.5	178	4.3	0	0	112.3	Q175 Q176 R183	Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 3.14Å; Q176-Q179 WeakPolarHBondContact O-CB 3.33Å; Q176-Q179 PolarHBondContact O-N 3.2Å; Q176-Q179 VanDerWaalsContact O-N 3.14Å; Q179-R183 WeakPolarHBondContact O-CG 3.45Å; Q179-R183 PolarHBondContact O-N 3.2Å; Q179-R183 VanDerWaalsContact O-N 3.1Å
180	E	96	Very high	95	Very high	81 Å²	81	73.4 Å²	73.4	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-54.5	178.1	-75.3	169.1	-166.6	0	0	111.2	Q176 E177 F182 R183 D184	Q176-E180 WeakPolarHBondContact CG-OE1 2.97Å; Q176-E180 PolarHBondContact NE2-OE1 3.21Å; Q176-E180 WeakPolarHBondContact O-CG 3.41Å; Q176-E180 PolarHBondContact O-N 2.8Å; E177-E180 PolarHBondContact O-N 2.81Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.5Å; E180-R183 WeakPolarHBondContact O-CB 3.41Å; E180-R183 PolarHBondContact O-N 2.99Å; E180-D184 PolarHBondContact O-N 3.36Å
181	R	96.7	Very high	94.9	Very high	68 Å²	68	73.6 Å²	73.6	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-33.8	-178.8	-67.6	-175.8	174.6	158.7	10.8	113.1	N168 L169 K171 A172 E177 D184 F185	N168-R181 WeakPolarHBondContact O-CD 3.34Å; N168-R181 PolarHBondContact O-NH1 3.47Å; L169-R181 HydrophobicContact CB-CB 4.35Å; L169-R181 HydrophobicContact CD1-CB 3.98Å; K171-R181 PolarHBondContact O-NH1 3.04Å; A172-R181 VanDerWaalsContact N-NH1 3.2Å; E177-R181 WeakPolarHBondContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.34Å; E177-R181 PolarHBondContact O-N 3.19Å; E177-R181 IonicContact OE1-CZ 3.51Å; E177-R181 IonicContact OE1-NE 3Å; E177-R181 IonicContact OE1-NH1 2.85Å; E177-R181 PolarHBondContact OE1-NH1 3.29Å; E177-R181 IonicContact OE1-NH2 3.28Å; E177-R181 PolarHBondContact OE1-NH2 3.46Å; R181-D184 PolarHBondContact O-N 3.09Å; R181-F185 WeakPolarHBondContact O-CB 3.46Å; R181-F185 PolarHBondContact O-N 2.93Å
182	F	96.3	Very high	94.8	Very high	16 Å²	16	67.1 Å²	67.1	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-34.6	176.3	-176	-97.2	0	0	0	111.9	L169 V178 E180 F185 K186 C223 L226 H227	L169-F182 HydrophobicContact CD1-CB 4.21Å; L169-F182 HydrophobicContact CD2-CB 4.5Å; L169-F182 HydrophobicContact CD2-CD2 3.94Å; V178-F182 WeakPolarHBondContact O-CB 3.32Å; V178-F182 PolarHBondContact O-N 3.1Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.5Å; F182-F185 HydrophobicContact CD2-CD1 4.26Å; F182-F185 HydrophobicContact CE2-CD1 4.27Å; F182-F185 PolarHBondContact O-N 3.24Å; F182-K186 HydrophobicContact CE1-CB 4.33Å; F182-K186 HydrophobicContact CE1-CD 4.19Å; F182-K186 WeakPolarHBondContact O-CB 3.43Å; F182-K186 PolarHBondContact O-N 3.33Å; F182-C223 WeakPolarHBondContact CE2-O 3.39Å; F182-C223 WeakPolarHBondContact CZ-O 3.34Å; F182-C223 WeakPolarHBondContact CZ-SG 3.39Å; F182-L226 HydrophobicContact CE2-CD2 4.44Å; F182-H227 HydrophobicContact CD1-CB 4.16Å; F182-H227 AromaticContact CD1-CD2 3.77Å; F182-H227 AromaticContact CD1-CG 3.74Å; F182-H227 HydrophobicContact CD2-CB 3.93Å; F182-H227 HydrophobicContact CE1-CB 3.84Å; F182-H227 AromaticContact CE1-CG 3.74Å; F182-H227 AromaticContact CE1-ND1 3.91Å; F182-H227 HydrophobicContact CE2-CB 3.6Å; F182-H227 HydrophobicContact CG-CB 4.21Å; F182-H227 AromaticContact CG-CD2 3.78Å; F182-H227 AromaticContact CG-CG 4Å; F182-H227 HydrophobicContact CZ-CB 3.55Å
183	R	95.9	Very high	94.7	Very high	158 Å²	158	68.5 Å²	68.5	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-44.5	172.9	-75.9	-176.2	-61	-157	1.9	111.6	Q179 E180 K186 R187	Q179-R183 WeakPolarHBondContact O-CG 3.45Å; Q179-R183 PolarHBondContact O-N 3.2Å; Q179-R183 VanDerWaalsContact O-N 3.1Å; E180-R183 WeakPolarHBondContact O-CB 3.41Å; E180-R183 PolarHBondContact O-N 2.99Å; R183-K186 PolarHBondContact O-N 3.37Å; R183-R187 PolarHBondContact O-N 3.32Å; R183-R187 VanDerWaalsContact O-N 3.1Å
184	D	94.8	Very high	94.6	Very high	97 Å²	97	68.4 Å²	68.4	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-46.9	177.4	-67.5	-24.2	0	0	0	111.3	E180 R181 R187 Q188	E180-D184 PolarHBondContact O-N 3.36Å; R181-D184 PolarHBondContact O-N 3.09Å; D184-R187 PolarHBondContact O-N 2.91Å; D184-Q188 WeakPolarHBondContact O-CG 3.3Å; D184-Q188 PolarHBondContact O-N 3.42Å; D184-Q188 VanDerWaalsContact O-N 3.16Å
185	F	95.7	Very high	94.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-46.9	176.1	173.9	-109.1	0	0	0	112.4	L166 R181 F182 R187 Q188 I189 L226 M253	L166-F185 HydrophobicContact CB-CD2 4.04Å; L166-F185 HydrophobicContact CB-CE2 3.73Å; L166-F185 HydrophobicContact CB-CZ 4.45Å; L166-F185 HydrophobicContact CD1-CD2 4.4Å; L166-F185 HydrophobicContact CD1-CE1 4.23Å; L166-F185 HydrophobicContact CD1-CE2 3.86Å; L166-F185 HydrophobicContact CD1-CZ 3.74Å; L166-F185 HydrophobicContact CG-CE2 4.26Å; R181-F185 WeakPolarHBondContact O-CB 3.46Å; R181-F185 PolarHBondContact O-N 2.93Å; F182-F185 HydrophobicContact CD2-CD1 4.26Å; F182-F185 HydrophobicContact CE2-CD1 4.27Å; F182-F185 PolarHBondContact O-N 3.24Å; F185-R187 VanDerWaalsContact C-N 3.3Å; F185-R187 PolarHBondContact O-N 3.26Å; F185-Q188 WeakPolarHBondContact O-CB 3.28Å; F185-Q188 PolarHBondContact O-N 3.42Å; F185-I189 HydrophobicContact CD1-CG1 4.28Å; F185-I189 HydrophobicContact CD2-CG1 4.19Å; F185-I189 HydrophobicContact CE1-CD1 4.47Å; F185-I189 HydrophobicContact CE1-CG1 3.78Å; F185-I189 HydrophobicContact CE2-CD1 3.78Å; F185-I189 HydrophobicContact CE2-CG1 3.67Å; F185-I189 HydrophobicContact CG-CG1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.69Å; F185-I189 HydrophobicContact CZ-CG1 3.46Å; F185-I189 VanDerWaalsContact CZ-CG1 3.46Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.83Å; F185-L226 HydrophobicContact CD1-CD2 4.12Å; F185-L226 HydrophobicContact CE1-CD2 3.58Å; F185-L226 HydrophobicContact CZ-CD2 4.21Å; F185-M253 HydrophobicContact CE1-CE 3.64Å; F185-M253 HydrophobicContact CZ-CE 3.39Å
186	K	95.1	Very high	94.3	Very high	98 Å²	98	63.7 Å²	63.7	43%	0.426	29%	0.286	S	S	.	.	H	α-helix	trans	-58.2	-43.1	179.1	-178.4	176.5	174.9	-178.8	0	111.3	F182 R183 Q188 I189 E190	F182-K186 HydrophobicContact CE1-CB 4.33Å; F182-K186 HydrophobicContact CE1-CD 4.19Å; F182-K186 WeakPolarHBondContact O-CB 3.43Å; F182-K186 PolarHBondContact O-N 3.33Å; R183-K186 PolarHBondContact O-N 3.37Å; K186-Q188 VanDerWaalsContact C-N 3.33Å; K186-Q188 PolarHBondContact O-N 3.01Å; K186-I189 PolarHBondContact O-N 3.28Å; K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 WeakPolarHBondContact O-CG 3.44Å; K186-E190 PolarHBondContact O-N 3.42Å
187	R	94.7	Very high	94.2	Very high	168 Å²	168	58.5 Å²	58.5	63%	0.634	26%	0.264	S	S	*	.	H	α-helix	trans	-60.6	-40.6	175.1	-175.5	-177.8	177.8	-164.5	-1.9	112.2	R183 D184 F185 E190 N191	R183-R187 PolarHBondContact O-N 3.32Å; R183-R187 VanDerWaalsContact O-N 3.1Å; D184-R187 PolarHBondContact O-N 2.91Å; F185-R187 VanDerWaalsContact C-N 3.3Å; F185-R187 PolarHBondContact O-N 3.26Å; R187-E190 PolarHBondContact O-N 3.22Å; R187-N191 PolarHBondContact O-N 3.48Å; R187-N191 PolarHBondContact O-ND2 2.9Å
188	Q	92.9	Very high	94	Very high	50 Å²	50	63.4 Å²	63.4	23%	0.234	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-41.9	176	-65.4	-59.7	-14.4	0	0	111.9	A162 T165 D184 F185 K186 N191 L192	A162-Q188 HydrophobicContact CB-CB 4.02Å; T165-Q188 HydrophobicContact CG2-CG 4.22Å; D184-Q188 WeakPolarHBondContact O-CG 3.3Å; D184-Q188 PolarHBondContact O-N 3.42Å; D184-Q188 VanDerWaalsContact O-N 3.16Å; F185-Q188 WeakPolarHBondContact O-CB 3.28Å; F185-Q188 PolarHBondContact O-N 3.42Å; K186-Q188 VanDerWaalsContact C-N 3.33Å; K186-Q188 PolarHBondContact O-N 3.01Å; Q188-N191 PolarHBondContact O-N 2.94Å; Q188-L192 VanDerWaalsContact O-CB 3.3Å; Q188-L192 WeakPolarHBondContact O-CB 3.38Å; Q188-L192 PolarHBondContact O-N 3.29Å
189	I	93.9	Very high	93.7	Very high	13 Å²	13	64.4 Å²	64.4	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-40.5	176.7	-67.6	-62	0	0	0	111.9	A162 F185 K186 L192 D193 L219 M253 L257	A162-I189 HydrophobicContact CB-CD1 4.2Å; F185-I189 HydrophobicContact CD1-CG1 4.28Å; F185-I189 HydrophobicContact CD2-CG1 4.19Å; F185-I189 HydrophobicContact CE1-CD1 4.47Å; F185-I189 HydrophobicContact CE1-CG1 3.78Å; F185-I189 HydrophobicContact CE2-CD1 3.78Å; F185-I189 HydrophobicContact CE2-CG1 3.67Å; F185-I189 HydrophobicContact CG-CG1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.69Å; F185-I189 HydrophobicContact CZ-CG1 3.46Å; F185-I189 VanDerWaalsContact CZ-CG1 3.46Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.83Å; K186-I189 PolarHBondContact O-N 3.28Å; I189-L192 PolarHBondContact O-N 3.48Å; I189-D193 VanDerWaalsContact O-CB 3.29Å; I189-D193 WeakPolarHBondContact O-CB 3.46Å; I189-D193 PolarHBondContact O-N 2.92Å; I189-L219 HydrophobicContact CD1-CD1 4.42Å; I189-L219 HydrophobicContact CD1-CD2 4.18Å; I189-M253 HydrophobicContact CD1-CE 4.14Å; I189-M253 HydrophobicContact CG1-CE 4.29Å; I189-L257 HydrophobicContact CD1-CD2 4.18Å
190	E	93.1	Very high	93.4	Very high	106 Å²	106	60.3 Å²	60.3	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-43.6	177.4	-74.1	170.3	174.8	0	0	112.2	K186 R187 D193 H194	K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 WeakPolarHBondContact O-CG 3.44Å; K186-E190 PolarHBondContact O-N 3.42Å; R187-E190 PolarHBondContact O-N 3.22Å; E190-D193 PolarHBondContact O-N 2.89Å; E190-H194 PolarHBondContact O-N 3.27Å; E190-H194 VanDerWaalsContact O-N 3.17Å
191	N	91.6	Very high	93.1	Very high	71 Å²	71	59.4 Å²	59.4	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-45.1	175.3	-68	-27.5	0	0	0	111.5	R187 Q188 D193 H194 D195	R187-N191 PolarHBondContact O-N 3.48Å; R187-N191 PolarHBondContact O-ND2 2.9Å; Q188-N191 PolarHBondContact O-N 2.94Å; N191-D193 VanDerWaalsContact C-N 3.34Å; N191-D193 PolarHBondContact O-N 3.38Å; N191-H194 PolarHBondContact O-N 2.84Å; N191-D195 PolarHBondContact O-N 3.05Å
192	L	93.5	Very high	92.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-42.3	177.3	175.3	60	0	0	0	111.6	I155 M159 Q188 I189 H194 D195 A196 L219 L257	I155-L192 HydrophobicContact CG2-CD1 3.89Å; M159-L192 HydrophobicContact CB-CD2 4.42Å; M159-L192 HydrophobicContact CG-CD1 3.27Å; M159-L192 HydrophobicContact CG-CD2 3.68Å; M159-L192 HydrophobicContact CG-CG 4.12Å; M159-L192 HydrophobicContact SD-CD1 4.21Å; Q188-L192 VanDerWaalsContact O-CB 3.3Å; Q188-L192 WeakPolarHBondContact O-CB 3.38Å; Q188-L192 PolarHBondContact O-N 3.29Å; I189-L192 PolarHBondContact O-N 3.48Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 3.48Å; L192-D195 PolarHBondContact O-N 2.83Å; L192-A196 WeakPolarHBondContact O-CB 3.25Å; L192-A196 PolarHBondContact O-N 3.13Å; L192-L219 HydrophobicContact CD2-CD1 4.3Å; L192-L257 HydrophobicContact CD2-CD2 3.35Å
193	D	91.6	Very high	92.4	Very high	38 Å²	38	57 Å²	57	20%	0.203	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-43.4	178.9	-173.6	58.4	0	0	0	111.2	I189 E190 N191 S197 R216	I189-D193 VanDerWaalsContact O-CB 3.29Å; I189-D193 WeakPolarHBondContact O-CB 3.46Å; I189-D193 PolarHBondContact O-N 2.92Å; E190-D193 PolarHBondContact O-N 2.89Å; N191-D193 VanDerWaalsContact C-N 3.34Å; N191-D193 PolarHBondContact O-N 3.38Å; D193-S197 WeakPolarHBondContact O-CB 3.49Å; D193-S197 PolarHBondContact O-N 3.16Å; D193-R216 VanDerWaalsContact CG-NH2 3.28Å; D193-R216 PolarHBondContact O-NE 3.3Å; D193-R216 IonicContact OD1-CZ 3.41Å; D193-R216 IonicContact OD1-NE 3.98Å; D193-R216 PolarHBondContact OD1-NE 3Å; D193-R216 IonicContact OD1-NH2 3.16Å; D193-R216 PolarHBondContact OD1-NH2 3.39Å; D193-R216 IonicContact OD2-NH2 2.92Å; D193-R216 PolarHBondContact OD2-NH2 3.03Å
194	H	91.8	Very high	91.9	Very high	113 Å²	113	53.6 Å²	53.6	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-50.2	176.4	-178.5	76.2	0	0	0	112.1	E190 N191 L192 S197 R198	E190-H194 PolarHBondContact O-N 3.27Å; E190-H194 VanDerWaalsContact O-N 3.17Å; N191-H194 PolarHBondContact O-N 2.84Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 3.48Å; H194-S197 WeakPolarHBondContact O-CB 3.41Å; H194-S197 PolarHBondContact O-N 2.81Å; H194-R198 PolarHBondContact NE2-NH1 2.83Å; H194-R198 PolarHBondContact O-N 2.97Å; H194-R198 VanDerWaalsContact O-N 3.11Å
195	D	91.7	Very high	91.3	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.053	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-40.1	-178.4	-66.5	-43	0	0	0	112.9	I155 R158 N191 L192 S197 R198 R199	I155-D195 HydrophobicContact CD1-CB 4.32Å; I155-D195 HydrophobicContact CG1-CB 3.97Å; R158-D195 WeakPolarHBondContact CD-OD2 3.37Å; R158-D195 IonicContact CZ-OD2 3.75Å; R158-D195 IonicContact NE-OD2 2.67Å; R158-D195 PolarHBondContact NE-OD2 3.42Å; R158-D195 IonicContact NH1-OD1 3.62Å; R158-D195 IonicContact NH1-OD2 2.96Å; R158-D195 PolarHBondContact NH1-OD2 2.75Å; N191-D195 PolarHBondContact O-N 3.05Å; L192-D195 PolarHBondContact O-N 2.83Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 3.49Å; D195-R198 PolarHBondContact O-N 2.74Å; D195-R198 IonicContact OD1-CZ 3.46Å; D195-R198 IonicContact OD1-NH1 2.95Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; D195-R198 IonicContact OD1-NH2 2.77Å; D195-R198 PolarHBondContact OD1-NH2 3.2Å; D195-R199 WeakPolarHBondContact O-CB 3.3Å; D195-R199 PolarHBondContact O-N 3.28Å
196	A	92.4	Very high	90.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-36.8	176.6	0	0	0	0	0	111.2	L192 R199 A200 I212 R216	L192-A196 WeakPolarHBondContact O-CB 3.25Å; L192-A196 PolarHBondContact O-N 3.13Å; A196-R199 PolarHBondContact O-N 3Å; A196-A200 VanDerWaalsContact O-CB 3.32Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 2.9Å; A196-I212 HydrophobicContact CB-CG2 4.1Å; A196-R216 HydrophobicContact CB-CG 4.05Å
197	S	92.1	Very high	90	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-52.8	172.4	-168.6	0	0	0	0	111.4	D193 H194 D195 R199 A200 A201 R216	D193-S197 WeakPolarHBondContact O-CB 3.49Å; D193-S197 PolarHBondContact O-N 3.16Å; H194-S197 WeakPolarHBondContact O-CB 3.41Å; H194-S197 PolarHBondContact O-N 2.81Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 3.49Å; S197-R199 VanDerWaalsContact C-N 3.27Å; S197-R199 PolarHBondContact O-N 3.45Å; S197-A200 PolarHBondContact O-N 3.48Å; S197-A201 PolarHBondContact O-N 2.98Å; S197-R216 PolarHBondContact OG-NH1 2.95Å
198	R	91.7	Very high	89.4	Confident	139 Å²	139	45.6 Å²	45.6	53%	0.525	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-42.9	179	-173.8	173.8	66.5	-127	-6.6	110.8	H194 D195 A201 D202	H194-R198 PolarHBondContact NE2-NH1 2.83Å; H194-R198 PolarHBondContact O-N 2.97Å; H194-R198 VanDerWaalsContact O-N 3.11Å; D195-R198 PolarHBondContact O-N 2.74Å; D195-R198 IonicContact OD1-CZ 3.46Å; D195-R198 IonicContact OD1-NH1 2.95Å; D195-R198 PolarHBondContact OD1-NH1 2.95Å; D195-R198 IonicContact OD1-NH2 2.77Å; D195-R198 PolarHBondContact OD1-NH2 3.2Å; R198-A201 PolarHBondContact O-N 2.64Å; R198-D202 WeakPolarHBondContact O-CB 3.29Å; R198-D202 PolarHBondContact O-N 2.96Å; R198-D202 VanDerWaalsContact O-N 3.15Å
199	R	91	Very high	89.1	Confident	20 Å²	20	44.5 Å²	44.5	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-45.8	177.4	-175.6	53.7	173.1	-171.7	-4.6	112.3	D148 I155 D195 A196 S197 A201 D202 L203 L264	D148-R199 IonicContact OD1-CZ 3.61Å; D148-R199 IonicContact OD1-NH1 2.9Å; D148-R199 PolarHBondContact OD1-NH1 3.01Å; D148-R199 IonicContact OD1-NH2 2.71Å; D148-R199 IonicContact OD2-CZ 2.75Å; D148-R199 IonicContact OD2-NH1 3.51Å; D148-R199 PolarHBondContact OD2-NH1 3.25Å; D148-R199 IonicContact OD2-NH2 3.44Å; D148-R199 PolarHBondContact OD2-NH2 3.46Å; I155-R199 HydrophobicContact CD1-CB 3.77Å; I155-R199 HydrophobicContact CD1-CG 4.06Å; D195-R199 WeakPolarHBondContact O-CB 3.3Å; D195-R199 PolarHBondContact O-N 3.28Å; A196-R199 PolarHBondContact O-N 3Å; S197-R199 VanDerWaalsContact C-N 3.27Å; S197-R199 PolarHBondContact O-N 3.45Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3Å; R199-D202 IonicContact NH1-OD2 3.95Å; R199-D202 PolarHBondContact O-N 2.86Å; R199-D202 VanDerWaalsContact O-N 3.08Å; R199-L203 HydrophobicContact CG-CG 4.47Å; R199-L203 WeakPolarHBondContact O-CG 3.33Å; R199-L203 PolarHBondContact O-N 3.25Å; R199-L264 HydrophobicContact CG-CD2 3.75Å
200	A	89.6	Confident	88.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-42.1	177.9	0	0	0	0	0	111.9	A196 S197 D202 C209 I212 Q213	A196-A200 VanDerWaalsContact O-CB 3.32Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 2.9Å; S197-A200 PolarHBondContact O-N 3.48Å; A200-D202 VanDerWaalsContact C-N 3.3Å; A200-D202 PolarHBondContact O-N 2.96Å; A200-C209 PolarHBondContact O-SG 2.86Å; A200-C209 VanDerWaalsContact O-SG 3.34Å; A200-I212 HydrophobicContact CB-CB 4.14Å; A200-I212 HydrophobicContact CB-CG2 3.91Å; A200-Q213 HydrophobicContact CB-CG 4.29Å; A200-Q213 VanDerWaalsContact CB-NE2 3.34Å
201	A	89.9	Confident	88.1	Confident	63 Å²	63	43.9 Å²	43.9	52%	0.521	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-33.9	176.1	0	0	0	0	0	113.1	K25 S197 R198 R199	K25-A201 PolarHBondContact NZ-O 3Å; S197-A201 PolarHBondContact O-N 2.98Å; R198-A201 PolarHBondContact O-N 2.64Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3Å
202	D	89.7	Confident	87.9	Confident	25 Å²	25	40.5 Å²	40.5	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-81.9	-22.3	-177.5	-173.4	47.4	0	0	0	114	S24 K25 T26 R198 R199 A200	S24-D202 WeakPolarHBondContact CA-O 3.4Å; S24-D202 WeakPolarHBondContact CB-OD2 3.48Å; K25-D202 WeakPolarHBondContact CG-O 3.05Å; K25-D202 PolarHBondContact N-O 3.18Å; K25-D202 PolarHBondContact N-OD1 2.94Å; T26-D202 VanDerWaalsContact CB-OD1 3.25Å; T26-D202 WeakPolarHBondContact CB-OD1 3.11Å; T26-D202 PolarHBondContact N-OD1 3.45Å; T26-D202 PolarHBondContact OG1-OD1 3.48Å; R198-D202 WeakPolarHBondContact O-CB 3.29Å; R198-D202 PolarHBondContact O-N 2.96Å; R198-D202 VanDerWaalsContact O-N 3.15Å; R199-D202 IonicContact NH1-OD2 3.95Å; R199-D202 PolarHBondContact O-N 2.86Å; R199-D202 VanDerWaalsContact O-N 3.08Å; A200-D202 VanDerWaalsContact C-N 3.3Å; A200-D202 PolarHBondContact O-N 2.96Å
203	L	88.4	Confident	87.6	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-64	143.3	178.6	-75	172.6	0	0	0	113.1	K25 R199 Q208 I212	K25-L203 WeakPolarHBondContact CE-O 3.38Å; K25-L203 PolarHBondContact NZ-O 2.86Å; K25-L203 VanDerWaalsContact NZ-O 3.08Å; R199-L203 HydrophobicContact CG-CG 4.47Å; R199-L203 WeakPolarHBondContact O-CG 3.33Å; R199-L203 PolarHBondContact O-N 3.25Å; L203-Q208 HydrophobicContact CD1-CB 4.03Å; L203-I212 HydrophobicContact CD1-CD1 3.58Å
204	K	84.4	Confident	87.2	Confident	86 Å²	86	40.9 Å²	40.9	37%	0.374	22%	0.224	S	C	.	.	S	Bend	trans	-80.6	-34.1	175.3	-72.7	172.9	59.4	-176.4	0	113.5	I22 R23 K25 E28 A206	I22-K204 WeakPolarHBondContact O-CD 3.24Å; I22-K204 PolarHBondContact O-NZ 3.4Å; I22-K204 VanDerWaalsContact O-NZ 3.08Å; R23-K204 WeakPolarHBondContact O-CB 3.25Å; R23-K204 WeakPolarHBondContact O-CG 3.15Å; R23-K204 PolarHBondContact O-N 3.37Å; K25-K204 HydrophobicContact CG-CG 4.05Å; E28-K204 VanDerWaalsContact OE1-CE 3.25Å; E28-K204 WeakPolarHBondContact OE1-CE 3.37Å; E28-K204 IonicContact OE1-NZ 3.24Å; E28-K204 PolarHBondContact OE1-NZ 3.17Å; K204-A206 PolarHBondContact O-N 2.89Å
205	D	83	Confident	87.1	Confident	71 Å²	71	35.7 Å²	35.7	38%	0.38	20%	0.201	S	C	.	.			trans	-81	116.7	178.9	-170.9	-16.5	0	0	0	110.5	S207 Q208 C209	D205-S207 VanDerWaalsContact C-N 3.29Å; D205-S207 PolarHBondContact O-N 2.98Å; D205-S207 WeakPolarHBondContact OD1-CB 3.27Å; D205-S207 PolarHBondContact OD1-N 3.21Å; D205-S207 PolarHBondContact OD1-OG 3.34Å; D205-S207 PolarHBondContact OD2-OG 3.32Å; D205-Q208 HydrophobicContact CB-CB 4.07Å; D205-Q208 HydrophobicContact CB-CG 3.92Å; D205-Q208 PolarHBondContact O-N 3.06Å; D205-C209 PolarHBondContact O-N 2.93Å; D205-C209 VanDerWaalsContact O-N 3.07Å
206	A	80.6	Confident	87.2	Confident	65 Å²	65	35.5 Å²	35.5	54%	0.537	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-35.9	177.8	0	0	0	0	0	112.2	K204 C209 D210	K204-A206 PolarHBondContact O-N 2.89Å; A206-C209 WeakPolarHBondContact O-CB 3.47Å; A206-C209 PolarHBondContact O-N 3.49Å; A206-D210 WeakPolarHBondContact O-CB 3.31Å; A206-D210 PolarHBondContact O-N 2.92Å
207	S	81.8	Confident	86.9	Confident	30 Å²	30	35.7 Å²	35.7	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-37.7	-179.1	68.8	0	0	0	0	112.6	D205 S211	D205-S207 VanDerWaalsContact C-N 3.29Å; D205-S207 PolarHBondContact O-N 2.98Å; D205-S207 WeakPolarHBondContact OD1-CB 3.27Å; D205-S207 PolarHBondContact OD1-N 3.21Å; D205-S207 PolarHBondContact OD1-OG 3.34Å; D205-S207 PolarHBondContact OD2-OG 3.32Å; S207-S211 WeakPolarHBondContact O-CB 3.5Å; S207-S211 PolarHBondContact O-N 3.46Å; S207-S211 PolarHBondContact O-OG 2.93Å
208	Q	83.9	Confident	86.8	Confident	29 Å²	29	35.4 Å²	35.4	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-69.1	-42.6	174.1	-66.9	-177.4	-14.3	0	0	111	L203 D205 S211 I212 V263	L203-Q208 HydrophobicContact CD1-CB 4.03Å; D205-Q208 HydrophobicContact CB-CB 4.07Å; D205-Q208 HydrophobicContact CB-CG 3.92Å; D205-Q208 PolarHBondContact O-N 3.06Å; Q208-S211 PolarHBondContact O-N 2.98Å; Q208-I212 WeakPolarHBondContact O-CG1 3.46Å; Q208-I212 PolarHBondContact O-N 3.4Å; Q208-V263 HydrophobicContact CB-CG1 3.65Å; Q208-V263 HydrophobicContact CG-CG1 3.98Å
209	C	85.2	Confident	86.9	Confident	28 Å²	28	29 Å²	29	19%	0.189	17%	0.174	C	C	.	.	H	α-helix	trans	-55	-53.7	172.2	172.3	0	0	0	0	110.9	A200 D205 A206 S211 I212 Q213	A200-C209 PolarHBondContact O-SG 2.86Å; A200-C209 VanDerWaalsContact O-SG 3.34Å; D205-C209 PolarHBondContact O-N 2.93Å; D205-C209 VanDerWaalsContact O-N 3.07Å; A206-C209 WeakPolarHBondContact O-CB 3.47Å; A206-C209 PolarHBondContact O-N 3.49Å; C209-S211 VanDerWaalsContact C-N 3.26Å; C209-S211 PolarHBondContact O-N 3.23Å; C209-I212 PolarHBondContact O-N 2.93Å; C209-Q213 VanDerWaalsContact O-CG 3.32Å; C209-Q213 WeakPolarHBondContact O-CG 3.44Å; C209-Q213 PolarHBondContact O-N 3.16Å
210	D	81.5	Confident	86.9	Confident	97 Å²	97	33 Å²	33	52%	0.519	19%	0.192	S	C	.	.	H	α-helix	trans	-58.9	-38.6	-179.8	-65.5	-17.5	0	0	0	111.9	A206 Q213 A214	A206-D210 WeakPolarHBondContact O-CB 3.31Å; A206-D210 PolarHBondContact O-N 2.92Å; D210-Q213 PolarHBondContact O-N 3.46Å; D210-A214 WeakPolarHBondContact O-CB 3.28Å; D210-A214 PolarHBondContact O-N 3.47Å
211	S	84.9	Confident	86.8	Confident	8 Å²	8	34.3 Å²	34.3	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-41.1	178.2	-63.6	0	0	0	0	112.7	S207 Q208 C209 A215	S207-S211 WeakPolarHBondContact O-CB 3.5Å; S207-S211 PolarHBondContact O-N 3.46Å; S207-S211 PolarHBondContact O-OG 2.93Å; Q208-S211 PolarHBondContact O-N 2.98Å; C209-S211 VanDerWaalsContact C-N 3.26Å; C209-S211 PolarHBondContact O-N 3.23Å; S211-A215 PolarHBondContact O-N 3.04Å; S211-A215 VanDerWaalsContact O-N 3.09Å
212	I	88.1	Confident	87	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-44.7	174.1	-66.6	174.6	0	0	0	110	A196 A200 L203 Q208 C209 A214 A215 R216 V263 L264	A196-I212 HydrophobicContact CB-CG2 4.1Å; A200-I212 HydrophobicContact CB-CB 4.14Å; A200-I212 HydrophobicContact CB-CG2 3.91Å; L203-I212 HydrophobicContact CD1-CD1 3.58Å; Q208-I212 WeakPolarHBondContact O-CG1 3.46Å; Q208-I212 PolarHBondContact O-N 3.4Å; C209-I212 PolarHBondContact O-N 2.93Å; I212-A214 VanDerWaalsContact C-N 3.34Å; I212-A214 PolarHBondContact O-N 3.36Å; I212-A215 PolarHBondContact O-N 3.22Å; I212-R216 HydrophobicContact CG2-CG 4.24Å; I212-R216 VanDerWaalsContact O-CG 3.31Å; I212-R216 WeakPolarHBondContact O-CG 3.47Å; I212-R216 PolarHBondContact O-N 3.47Å; I212-V263 HydrophobicContact CD1-CG1 3.95Å; I212-V263 HydrophobicContact CG1-CB 4.15Å; I212-V263 HydrophobicContact CG1-CG1 3.85Å; I212-L264 HydrophobicContact CD1-CD2 4.27Å
213	Q	86.6	Confident	87.3	Confident	26 Å²	26	30.9 Å²	30.9	12%	0.121	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-43.4	178.3	-67.5	-63.1	-10.9	0	0	111.9	A200 C209 D210 A215 R216 A217	A200-Q213 HydrophobicContact CB-CG 4.29Å; A200-Q213 VanDerWaalsContact CB-NE2 3.34Å; C209-Q213 VanDerWaalsContact O-CG 3.32Å; C209-Q213 WeakPolarHBondContact O-CG 3.44Å; C209-Q213 PolarHBondContact O-N 3.16Å; D210-Q213 PolarHBondContact O-N 3.46Å; Q213-A215 PolarHBondContact O-N 2.87Å; Q213-R216 PolarHBondContact O-N 3.46Å; Q213-A217 PolarHBondContact O-N 3.4Å
214	A	83.7	Confident	87.6	Confident	21 Å²	21	34 Å²	34	17%	0.174	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-42	176.1	0	0	0	0	0	112.1	D210 I212 A217 V218 Y456	D210-A214 WeakPolarHBondContact O-CB 3.28Å; D210-A214 PolarHBondContact O-N 3.47Å; I212-A214 VanDerWaalsContact C-N 3.34Å; I212-A214 PolarHBondContact O-N 3.36Å; A214-A217 PolarHBondContact O-N 2.91Å; A214-V218 WeakPolarHBondContact O-CG2 3.18Å; A214-V218 PolarHBondContact O-N 3.01Å; A214-V218 VanDerWaalsContact O-N 3.12Å; A214-Y456 HydrophobicContact CB-CE2 4.43Å
215	A	89.9	Confident	88.2	Confident	3 Å²	3	30 Å²	30	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-41.8	176.5	0	0	0	0	0	112	S211 I212 Q213 A217 V218 L219 A256 N259 I260	S211-A215 PolarHBondContact O-N 3.04Å; S211-A215 VanDerWaalsContact O-N 3.09Å; I212-A215 PolarHBondContact O-N 3.22Å; Q213-A215 PolarHBondContact O-N 2.87Å; A215-A217 PolarHBondContact O-N 3.45Å; A215-V218 PolarHBondContact O-N 3.34Å; A215-L219 WeakPolarHBondContact O-CG 3.32Å; A215-L219 PolarHBondContact O-N 3.04Å; A215-A256 HydrophobicContact CB-CB 4.44Å; A215-N259 HydrophobicContact CB-CB 4.29Å; A215-I260 HydrophobicContact CB-CD1 4.01Å; A215-I260 HydrophobicContact CB-CG1 3.52Å
216	R	91.8	Very high	88.9	Confident	7 Å²	7	26.6 Å²	26.6	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-58.8	-45.2	173.9	-72.2	176.1	64.6	-137.1	-5	112.2	D193 A196 S197 I212 Q213 V218 L219 K220 I260 F898	D193-R216 VanDerWaalsContact CG-NH2 3.28Å; D193-R216 PolarHBondContact O-NE 3.3Å; D193-R216 IonicContact OD1-CZ 3.41Å; D193-R216 IonicContact OD1-NE 3.98Å; D193-R216 PolarHBondContact OD1-NE 3Å; D193-R216 IonicContact OD1-NH2 3.16Å; D193-R216 PolarHBondContact OD1-NH2 3.39Å; D193-R216 IonicContact OD2-NH2 2.92Å; D193-R216 PolarHBondContact OD2-NH2 3.03Å; A196-R216 HydrophobicContact CB-CG 4.05Å; S197-R216 PolarHBondContact OG-NH1 2.95Å; I212-R216 HydrophobicContact CG2-CG 4.24Å; I212-R216 VanDerWaalsContact O-CG 3.31Å; I212-R216 WeakPolarHBondContact O-CG 3.47Å; I212-R216 PolarHBondContact O-N 3.47Å; Q213-R216 PolarHBondContact O-N 3.46Å; R216-V218 VanDerWaalsContact C-N 3.31Å; R216-V218 PolarHBondContact O-N 3.19Å; R216-L219 WeakPolarHBondContact O-CB 3.38Å; R216-L219 PolarHBondContact O-N 3.42Å; R216-L219 VanDerWaalsContact O-N 3.17Å; R216-K220 PolarHBondContact O-N 3.41Å; R216-I260 HydrophobicContact CG-CD1 4.48Å; R216-F898 PolarHBondContact NH1-O 3.41Å; R216-F898 PolarHBondContact NH2-O 2.95Å
217	A	87.8	Confident	89.7	Confident	4 Å²	4	25.9 Å²	25.9	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-41.7	176.3	0	0	0	0	0	111.7	Q213 A214 A215 K220 T221 L895 F898	Q213-A217 PolarHBondContact O-N 3.4Å; A214-A217 PolarHBondContact O-N 2.91Å; A215-A217 PolarHBondContact O-N 3.45Å; A217-K220 PolarHBondContact O-N 2.85Å; A217-T221 WeakPolarHBondContact O-CB 3.42Å; A217-T221 VanDerWaalsContact O-CG2 3.29Å; A217-T221 WeakPolarHBondContact O-CG2 3.25Å; A217-T221 PolarHBondContact O-N 3.08Å; A217-T221 PolarHBondContact O-OG1 3Å; A217-L895 HydrophobicContact CB-CD2 4.48Å; A217-F898 HydrophobicContact CB-CD2 4.46Å
218	V	90.2	Very high	90.5	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-44.4	174.6	174	0	0	0	0	111.3	A214 A215 R216 K220 T221 T222 Q252 A256	A214-V218 WeakPolarHBondContact O-CG2 3.18Å; A214-V218 PolarHBondContact O-N 3.01Å; A214-V218 VanDerWaalsContact O-N 3.12Å; A215-V218 PolarHBondContact O-N 3.34Å; R216-V218 VanDerWaalsContact C-N 3.31Å; R216-V218 PolarHBondContact O-N 3.19Å; V218-K220 PolarHBondContact O-N 3.15Å; V218-T221 PolarHBondContact O-OG1 3.18Å; V218-T222 WeakPolarHBondContact O-CB 3.45Å; V218-T222 PolarHBondContact O-N 2.85Å; V218-T222 PolarHBondContact O-OG1 3.2Å; V218-Q252 HydrophobicContact CG1-CB 4.38Å; V218-A256 HydrophobicContact CB-CB 4.08Å; V218-A256 HydrophobicContact CG1-CB 3.87Å
219	L	92.6	Very high	91.1	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-48.9	177.8	-68.1	174.2	0	0	0	111.6	I189 L192 A215 R216 C223 M253 A256 L257 I260	I189-L219 HydrophobicContact CD1-CD1 4.42Å; I189-L219 HydrophobicContact CD1-CD2 4.18Å; L192-L219 HydrophobicContact CD2-CD1 4.3Å; A215-L219 WeakPolarHBondContact O-CG 3.32Å; A215-L219 PolarHBondContact O-N 3.04Å; R216-L219 WeakPolarHBondContact O-CB 3.38Å; R216-L219 PolarHBondContact O-N 3.42Å; R216-L219 VanDerWaalsContact O-N 3.17Å; L219-C223 WeakPolarHBondContact O-CB 3.35Å; L219-C223 PolarHBondContact O-N 2.62Å; L219-C223 VanDerWaalsContact O-N 3.14Å; L219-M253 HydrophobicContact CB-CE 4.23Å; L219-M253 HydrophobicContact CD2-CE 3.63Å; L219-M253 HydrophobicContact CD2-SD 3.9Å; L219-A256 HydrophobicContact CD2-CB 3.66Å; L219-A256 HydrophobicContact CG-CB 3.81Å; L219-L257 HydrophobicContact CD1-CD2 4.11Å; L219-L257 HydrophobicContact CD2-CD2 4.1Å; L219-L257 HydrophobicContact CD2-CG 4.05Å; L219-I260 HydrophobicContact CD1-CD1 3.86Å
220	K	90.7	Very high	91.8	Very high	105 Å²	105	22.6 Å²	22.6	46%	0.457	12%	0.124	S	C	.	.	H	α-helix	trans	-67.1	-44.3	-175.5	-161.8	173.1	178.2	-178.3	0	111.9	R216 A217 V218 P224 F898	R216-K220 PolarHBondContact O-N 3.41Å; A217-K220 PolarHBondContact O-N 2.85Å; V218-K220 PolarHBondContact O-N 3.15Å; K220-P224 WeakPolarHBondContact O-CD 3.47Å; K220-F898 HydrophobicContact CD-CD1 3.66Å; K220-F898 HydrophobicContact CD-CE1 3.7Å
221	T	88.6	Confident	92.6	Very high	26 Å²	26	18.9 Å²	18.9	16%	0.16	10%	0.104	C	C	.	.	H	α-helix	trans	-77.9	-24.2	-178	59.8	0	0	0	0	113.5	A217 V218 R498	A217-T221 WeakPolarHBondContact O-CB 3.42Å; A217-T221 VanDerWaalsContact O-CG2 3.29Å; A217-T221 WeakPolarHBondContact O-CG2 3.25Å; A217-T221 PolarHBondContact O-N 3.08Å; A217-T221 PolarHBondContact O-OG1 3Å; V218-T221 PolarHBondContact O-OG1 3.18Å; T221-R498 PolarHBondContact OG1-NH2 3.4Å; T221-R498 VanDerWaalsContact OG1-NH2 3.13Å
222	T	94.3	Very high	93.2	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-87.2	-22.1	178.5	-54.1	0	0	0	0	112.5	V218 M225 L226 A249 Q252 M253	V218-T222 WeakPolarHBondContact O-CB 3.45Å; V218-T222 PolarHBondContact O-N 2.85Å; V218-T222 PolarHBondContact O-OG1 3.2Å; T222-M225 HydrophobicContact CG2-CE 4.28Å; T222-M225 PolarHBondContact O-N 2.97Å; T222-L226 PolarHBondContact O-N 3.17Å; T222-A249 HydrophobicContact CG2-CB 4.22Å; T222-Q252 HydrophobicContact CG2-CB 3.98Å; T222-M253 VanDerWaalsContact CB-SD 3.57Å; T222-M253 HydrophobicContact CG2-CG 3.89Å; T222-M253 HydrophobicContact CG2-SD 3.8Å
223	C	94.8	Very high	93.6	Very high	14 Å²	14	20.9 Å²	20.9	10%	0.095	11%	0.11	C	C	.	.	H	α-helix	trans	-54.7	-45.3	-177.7	-167.8	0	0	0	0	113.9	F182 L219 L226 H227 M253	F182-C223 WeakPolarHBondContact CE2-O 3.39Å; F182-C223 WeakPolarHBondContact CZ-O 3.34Å; F182-C223 WeakPolarHBondContact CZ-SG 3.39Å; L219-C223 WeakPolarHBondContact O-CB 3.35Å; L219-C223 PolarHBondContact O-N 2.62Å; L219-C223 VanDerWaalsContact O-N 3.14Å; C223-L226 PolarHBondContact O-N 3.09Å; C223-H227 PolarHBondContact O-N 3.22Å; C223-M253 HydrophobicContact CB-CE 4.48Å
224	P	94.9	Very high	94.1	Very high	72 Å²	72	21 Å²	21	47%	0.468	11%	0.113	S	C	.	.	H	α-helix	trans	-63.2	-45.1	175.6	-22.2	34.6	0	0	0	113.1	K220 L226 H227 T228	K220-P224 WeakPolarHBondContact O-CD 3.47Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.36Å; P224-H227 WeakPolarHBondContact O-CB 3.01Å; P224-H227 PolarHBondContact O-N 3.35Å; P224-T228 PolarHBondContact O-N 2.91Å; P224-T228 PolarHBondContact O-OG1 3.4Å
225	M	97.4	Very high	94.8	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-40.8	177.7	-67.9	-173.5	-73.8	0	0	112	T222 H227 T228 A229 L464 F491 A494	T222-M225 HydrophobicContact CG2-CE 4.28Å; T222-M225 PolarHBondContact O-N 2.97Å; M225-H227 VanDerWaalsContact C-N 3.34Å; M225-H227 PolarHBondContact O-N 3.49Å; M225-T228 PolarHBondContact O-N 3.39Å; M225-T228 PolarHBondContact O-OG1 2.77Å; M225-A229 WeakPolarHBondContact O-CB 3.4Å; M225-A229 PolarHBondContact O-N 2.93Å; M225-L464 HydrophobicContact CE-CD1 4.41Å; M225-L464 HydrophobicContact SD-CD1 3.73Å; M225-F491 HydrophobicContact CB-CE2 4.18Å; M225-F491 HydrophobicContact CB-CZ 4.12Å; M225-F491 HydrophobicContact CG-CD2 4.49Å; M225-F491 HydrophobicContact CG-CE1 4.43Å; M225-F491 HydrophobicContact CG-CE2 4.44Å; M225-F491 HydrophobicContact CG-CZ 4.41Å; M225-F491 HydrophobicContact SD-CD1 3.82Å; M225-F491 HydrophobicContact SD-CE1 3.73Å; M225-F491 HydrophobicContact SD-CG 4.36Å; M225-F491 HydrophobicContact SD-CZ 4.23Å; M225-A494 HydrophobicContact CE-CB 4.02Å; M225-A494 HydrophobicContact CG-CB 3.97Å; M225-A494 HydrophobicContact SD-CB 3.41Å; M225-A494 WeakPolarHBondContact SD-CB 3.49Å
226	L	97.7	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-45.1	177.2	176.5	68.8	0	0	0	111.5	L166 L169 F182 F185 T222 C223 P224 A229 C230 A249 L250 M253	L166-L226 HydrophobicContact CD1-CD1 4.46Å; L166-L226 HydrophobicContact CD1-CD2 3.6Å; L169-L226 HydrophobicContact CD2-CD1 4.5Å; L169-L226 HydrophobicContact CD2-CD2 3.77Å; L169-L226 HydrophobicContact CD2-CG 4.05Å; F182-L226 HydrophobicContact CE2-CD2 4.44Å; F185-L226 HydrophobicContact CD1-CD2 4.12Å; F185-L226 HydrophobicContact CE1-CD2 3.58Å; F185-L226 HydrophobicContact CZ-CD2 4.21Å; T222-L226 PolarHBondContact O-N 3.17Å; C223-L226 PolarHBondContact O-N 3.09Å; P224-L226 VanDerWaalsContact C-N 3.33Å; P224-L226 PolarHBondContact O-N 3.36Å; L226-A229 PolarHBondContact O-N 3.43Å; L226-C230 WeakPolarHBondContact O-CB 3.19Å; L226-C230 PolarHBondContact O-N 3.5Å; L226-C230 PolarHBondContact O-SG 3.28Å; L226-A249 HydrophobicContact CB-CB 4.03Å; L226-A249 HydrophobicContact CD1-CB 3.94Å; L226-L250 HydrophobicContact CD1-CD2 3.63Å; L226-L250 HydrophobicContact CD1-CG 3.76Å; L226-M253 HydrophobicContact CD2-CG 4.16Å
227	H	97.6	Very high	95.3	Very high	49 Å²	49	30 Å²	30	23%	0.227	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-50.7	-178.6	-175	-155.8	0	0	0	111.7	F182 C223 P224 M225 K231	F182-H227 HydrophobicContact CD1-CB 4.16Å; F182-H227 AromaticContact CD1-CD2 3.77Å; F182-H227 AromaticContact CD1-CG 3.74Å; F182-H227 HydrophobicContact CD2-CB 3.93Å; F182-H227 HydrophobicContact CE1-CB 3.84Å; F182-H227 AromaticContact CE1-CG 3.74Å; F182-H227 AromaticContact CE1-ND1 3.91Å; F182-H227 HydrophobicContact CE2-CB 3.6Å; F182-H227 HydrophobicContact CG-CB 4.21Å; F182-H227 AromaticContact CG-CD2 3.78Å; F182-H227 AromaticContact CG-CG 4Å; F182-H227 HydrophobicContact CZ-CB 3.55Å; C223-H227 PolarHBondContact O-N 3.22Å; P224-H227 WeakPolarHBondContact O-CB 3.01Å; P224-H227 PolarHBondContact O-N 3.35Å; M225-H227 VanDerWaalsContact C-N 3.34Å; M225-H227 PolarHBondContact O-N 3.49Å; H227-K231 WeakPolarHBondContact O-CG 3.35Å; H227-K231 PolarHBondContact O-N 2.71Å; H227-K231 VanDerWaalsContact O-N 3.16Å
228	T	97.8	Very high	95.8	Very high	16 Å²	16	35.2 Å²	35.2	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-37.9	-177.8	57.7	0	0	0	0	111.4	P224 M225 K231 A232 E486 A490	P224-T228 PolarHBondContact O-N 2.91Å; P224-T228 PolarHBondContact O-OG1 3.4Å; M225-T228 PolarHBondContact O-N 3.39Å; M225-T228 PolarHBondContact O-OG1 2.77Å; T228-K231 PolarHBondContact O-N 2.67Å; T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 2.99Å; T228-E486 HydrophobicContact CG2-CB 4.26Å; T228-A490 HydrophobicContact CG2-CB 3.86Å; T228-A490 WeakPolarHBondContact OG1-CB 3.4Å
229	A	98.1	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-42.4	177.6	0	0	0	0	0	112.4	M225 L226 A232 Y233 N245 R246 N487 F491	M225-A229 WeakPolarHBondContact O-CB 3.4Å; M225-A229 PolarHBondContact O-N 2.93Å; L226-A229 PolarHBondContact O-N 3.43Å; A229-A232 PolarHBondContact O-N 3.4Å; A229-Y233 WeakPolarHBondContact O-CB 3.38Å; A229-Y233 PolarHBondContact O-N 2.97Å; A229-N245 HydrophobicContact CB-CB 4.15Å; A229-R246 HydrophobicContact CB-CB 4.25Å; A229-N487 WeakPolarHBondContact CA-OD1 3.33Å; A229-N487 PolarHBondContact N-OD1 3.18Å; A229-F491 HydrophobicContact CB-CE2 4.32Å
230	C	98.2	Very high	96.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-44.2	173.7	-76.8	0	0	0	0	111.8	V178 L226 A232 Y233 V234	V178-C230 HydrophobicContact CG1-CB 3.75Å; V178-C230 HydrophobicContact CG2-CB 4.18Å; L226-C230 WeakPolarHBondContact O-CB 3.19Å; L226-C230 PolarHBondContact O-N 3.5Å; L226-C230 PolarHBondContact O-SG 3.28Å; C230-A232 PolarHBondContact O-N 3.04Å; C230-Y233 PolarHBondContact O-N 2.92Å; C230-V234 WeakPolarHBondContact O-CB 3.47Å; C230-V234 WeakPolarHBondContact O-CG2 2.78Å; C230-V234 PolarHBondContact O-N 3.41Å
231	K	98	Very high	96.7	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-43.1	177	-73.3	175.4	66	-171.5	0	112	V178 H227 T228 R235 E486	V178-K231 HydrophobicContact CB-CG 4.47Å; V178-K231 HydrophobicContact CG1-CG 3.72Å; H227-K231 WeakPolarHBondContact O-CG 3.35Å; H227-K231 PolarHBondContact O-N 2.71Å; H227-K231 VanDerWaalsContact O-N 3.16Å; T228-K231 PolarHBondContact O-N 2.67Å; K231-R235 WeakPolarHBondContact O-CB 3.34Å; K231-R235 PolarHBondContact O-N 3.01Å; K231-R235 VanDerWaalsContact O-N 3.16Å; K231-E486 WeakPolarHBondContact CE-OE2 3.5Å; K231-E486 IonicContact NZ-OE1 2.77Å; K231-E486 IonicContact NZ-OE2 3.7Å; K231-E486 PolarHBondContact NZ-OE2 3.47Å
232	A	97.7	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-50.5	177.8	0	0	0	0	0	112	T228 A229 C230 R235 H236 L474 N487	T228-A232 VanDerWaalsContact O-CB 3.29Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 2.99Å; A229-A232 PolarHBondContact O-N 3.4Å; C230-A232 PolarHBondContact O-N 3.04Å; A232-R235 PolarHBondContact O-N 2.9Å; A232-H236 PolarHBondContact O-N 3.01Å; A232-L474 HydrophobicContact CB-CD2 3.69Å; A232-N487 HydrophobicContact CB-CB 3.98Å
233	Y	98	Very high	97.3	Very high	49 Å²	49	38.4 Å²	38.4	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-44.6	-179.4	176.4	-104.9	0	0	0	112.5	A229 C230 R235 H236 P237 A242 R243 R246	A229-Y233 WeakPolarHBondContact O-CB 3.38Å; A229-Y233 PolarHBondContact O-N 2.97Å; C230-Y233 PolarHBondContact O-N 2.92Å; Y233-R235 PolarHBondContact O-N 3.32Å; Y233-H236 CarbonylContact O-C 3.58Å; Y233-H236 PolarHBondContact O-N 3.5Å; Y233-P237 HydrophobicContact CE2-CB 4.41Å; Y233-P237 VanDerWaalsContact O-CA 3.26Å; Y233-P237 WeakPolarHBondContact O-CA 3.23Å; Y233-P237 WeakPolarHBondContact O-CD 3.45Å; Y233-A242 HydrophobicContact CD2-CB 4.33Å; Y233-R243 VanDerWaalsContact CD2-CA 3.48Å; Y233-R243 HydrophobicContact CD2-CB 3.74Å; Y233-R243 HydrophobicContact CD2-CG 4.34Å; Y233-R243 HydrophobicContact CE2-CB 3.53Å; Y233-R243 HydrophobicContact CE2-CG 3.8Å; Y233-R246 VanDerWaalsContact CD1-NH1 3.31Å
234	V	97.4	Very high	97.5	Very high	29 Å²	29	41.5 Å²	41.5	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-31.4	178	168.7	0	0	0	0	111.7	A172 T173 S174 V178 C230	A172-V234 WeakPolarHBondContact O-CG2 3.36Å; T173-V234 VanDerWaalsContact C-CG1 3.44Å; T173-V234 VanDerWaalsContact O-CG1 3.29Å; T173-V234 WeakPolarHBondContact O-CG1 3.11Å; S174-V234 VanDerWaalsContact C-CG1 3.47Å; S174-V234 VanDerWaalsContact CA-CG1 3.42Å; V178-V234 HydrophobicContact CG2-CB 4.44Å; V178-V234 HydrophobicContact CG2-CG2 3.83Å; C230-V234 WeakPolarHBondContact O-CB 3.47Å; C230-V234 WeakPolarHBondContact O-CG2 2.78Å; C230-V234 PolarHBondContact O-N 3.41Å
235	R	97.3	Very high	97.7	Very high	136 Å²	136	38 Å²	38	51%	0.513	18%	0.179	S	C	.	.	H	α-helix	trans	-76.1	-34.8	176.8	-176.2	58.6	-174.6	103.2	-8.7	113.2	K231 A232 Y233 P483	K231-R235 WeakPolarHBondContact O-CB 3.34Å; K231-R235 PolarHBondContact O-N 3.01Å; K231-R235 VanDerWaalsContact O-N 3.16Å; A232-R235 PolarHBondContact O-N 2.9Å; Y233-R235 PolarHBondContact O-N 3.32Å; R235-P483 HydrophobicContact CB-CB 4.35Å; R235-P483 HydrophobicContact CB-CG 4.27Å; R235-P483 HydrophobicContact CG-CG 4.21Å
236	H	97.2	Very high	97.7	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.037	18%	0.184	C	C	.	.			trans	-133.1	65.4	-175.6	-54.4	-68.5	0	0	0	111.5	A232 Y233 E238 I239 L474 S481	A232-H236 PolarHBondContact O-N 3.01Å; Y233-H236 CarbonylContact O-C 3.58Å; Y233-H236 PolarHBondContact O-N 3.5Å; H236-E238 VanDerWaalsContact CA-OE2 3.26Å; H236-E238 WeakPolarHBondContact CA-OE2 3.27Å; H236-E238 IonicContact ND1-OE1 2.59Å; H236-E238 PolarHBondContact O-N 3.23Å; H236-I239 HydrophobicContact CB-CB 4.38Å; H236-I239 HydrophobicContact CB-CD1 3.82Å; H236-I239 HydrophobicContact CB-CG1 4.08Å; H236-I239 PolarHBondContact O-N 3.37Å; H236-L474 HydrophobicContact CB-CD1 4.45Å; H236-S481 VanDerWaalsContact NE2-CB 3.26Å; H236-S481 WeakPolarHBondContact NE2-CB 3.29Å; H236-S481 PolarHBondContact NE2-OG 3.49Å
237	P	96	Very high	97.7	Very high	75 Å²	75	41.7 Å²	41.7	49%	0.487	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.4	-177.7	28.2	-36.4	0	0	0	113	Y233 I239	Y233-P237 HydrophobicContact CE2-CB 4.41Å; Y233-P237 VanDerWaalsContact O-CA 3.26Å; Y233-P237 WeakPolarHBondContact O-CA 3.23Å; Y233-P237 WeakPolarHBondContact O-CD 3.45Å; P237-I239 VanDerWaalsContact C-N 3.29Å; P237-I239 PolarHBondContact O-N 2.95Å
238	E	96.9	Very high	97.7	Very high	114 Å²	114	40.7 Å²	40.7	53%	0.533	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.4	177.5	76.7	-77.4	-173.4	0	0	114	H236 R478	H236-E238 VanDerWaalsContact CA-OE2 3.26Å; H236-E238 WeakPolarHBondContact CA-OE2 3.27Å; H236-E238 IonicContact ND1-OE1 2.59Å; H236-E238 PolarHBondContact O-N 3.23Å; E238-R478 IonicContact OE1-CZ 2.68Å; E238-R478 IonicContact OE1-NE 3.65Å; E238-R478 PolarHBondContact OE1-NE 2.92Å; E238-R478 IonicContact OE1-NH2 2.59Å; E238-R478 PolarHBondContact OE1-NH2 2.91Å
239	I	97.2	Very high	97.7	Very high	15 Å²	15	40 Å²	40	8%	0.077	19%	0.187	C	C	.	.			trans	-100.7	107.3	-175.7	-58.7	-178	0	0	0	109.6	H236 P237 P241 A242 R243 L474 A477 R478	H236-I239 HydrophobicContact CB-CB 4.38Å; H236-I239 HydrophobicContact CB-CD1 3.82Å; H236-I239 HydrophobicContact CB-CG1 4.08Å; H236-I239 PolarHBondContact O-N 3.37Å; P237-I239 VanDerWaalsContact C-N 3.29Å; P237-I239 PolarHBondContact O-N 2.95Å; I239-P241 HydrophobicContact CG2-CB 4.34Å; I239-P241 HydrophobicContact CG2-CG 4.2Å; I239-A242 HydrophobicContact CB-CB 4.44Å; I239-A242 VanDerWaalsContact O-CB 3.31Å; I239-A242 WeakPolarHBondContact O-CB 3.48Å; I239-A242 PolarHBondContact O-N 2.94Å; I239-R243 PolarHBondContact O-N 3.45Å; I239-L474 HydrophobicContact CB-CD1 4.21Å; I239-L474 HydrophobicContact CD1-CD1 3.81Å; I239-L474 HydrophobicContact CG2-CB 4.49Å; I239-L474 HydrophobicContact CG2-CD1 3.85Å; I239-A477 HydrophobicContact CD1-CB 3.99Å; I239-R478 HydrophobicContact CD1-CB 4.45Å; I239-R478 HydrophobicContact CD1-CG 3.29Å
240	D	97.8	Very high	97.7	Very high	64 Å²	64	40.6 Å²	40.6	34%	0.342	19%	0.19	S	C	.	.	H	α-helix	trans	-55.7	-42.7	-177.1	-174	58.1	0	0	0	114.3	A242 R243 Q244	D240-A242 PolarHBondContact O-N 2.95Å; D240-A242 VanDerWaalsContact O-N 3.16Å; D240-R243 WeakPolarHBondContact O-CA 3.32Å; D240-R243 VanDerWaalsContact O-CB 3.27Å; D240-R243 WeakPolarHBondContact O-CB 3.41Å; D240-R243 PolarHBondContact O-N 2.97Å; D240-R243 IonicContact OD1-CZ 3.14Å; D240-R243 IonicContact OD1-NE 2.79Å; D240-R243 PolarHBondContact OD1-NE 2.91Å; D240-R243 IonicContact OD1-NH2 3.89Å; D240-R243 PolarHBondContact OD1-NH2 3.33Å; D240-Q244 WeakPolarHBondContact O-CG 3.42Å; D240-Q244 PolarHBondContact O-N 2.88Å; D240-Q244 PolarHBondContact OD2-NE2 3.27Å
241	P	98	Very high	97.6	Very high	24 Å²	24	46.5 Å²	46.5	16%	0.156	22%	0.218	C	C	.	.	H	α-helix	trans	-53	-34.5	172.8	-29.9	33.5	0	0	0	115.4	I239 Q244 N245 N470 R473 L474	I239-P241 HydrophobicContact CG2-CB 4.34Å; I239-P241 HydrophobicContact CG2-CG 4.2Å; P241-Q244 PolarHBondContact O-N 3.41Å; P241-N245 PolarHBondContact O-N 3.32Å; P241-N470 HydrophobicContact CB-CB 3.99Å; P241-N470 VanDerWaalsContact CB-O 3.25Å; P241-N470 WeakPolarHBondContact CB-O 3.07Å; P241-R473 HydrophobicContact CB-CB 4.24Å; P241-R473 HydrophobicContact CG-CB 3.93Å; P241-L474 HydrophobicContact CB-CB 4.41Å
242	A	97.9	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-40.5	176.2	0	0	0	0	0	111.5	Y233 I239 D240 R246 L474	Y233-A242 HydrophobicContact CD2-CB 4.33Å; I239-A242 HydrophobicContact CB-CB 4.44Å; I239-A242 VanDerWaalsContact O-CB 3.31Å; I239-A242 WeakPolarHBondContact O-CB 3.48Å; I239-A242 PolarHBondContact O-N 2.94Å; D240-A242 PolarHBondContact O-N 2.95Å; D240-A242 VanDerWaalsContact O-N 3.16Å; A242-R246 PolarHBondContact O-N 3.47Å; A242-R246 VanDerWaalsContact O-N 3.15Å; A242-L474 HydrophobicContact CB-CD1 4.05Å; A242-L474 HydrophobicContact CB-CD2 3.95Å
243	R	97.9	Very high	97.4	Very high	116 Å²	116	46.8 Å²	46.8	44%	0.438	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-47.2	174.4	-172.6	175.9	61.9	150.4	11	110.8	Y233 I239 D240 N245 R246 D247	Y233-R243 VanDerWaalsContact CD2-CA 3.48Å; Y233-R243 HydrophobicContact CD2-CB 3.74Å; Y233-R243 HydrophobicContact CD2-CG 4.34Å; Y233-R243 HydrophobicContact CE2-CB 3.53Å; Y233-R243 HydrophobicContact CE2-CG 3.8Å; I239-R243 PolarHBondContact O-N 3.45Å; D240-R243 WeakPolarHBondContact O-CA 3.32Å; D240-R243 VanDerWaalsContact O-CB 3.27Å; D240-R243 WeakPolarHBondContact O-CB 3.41Å; D240-R243 PolarHBondContact O-N 2.97Å; D240-R243 IonicContact OD1-CZ 3.14Å; D240-R243 IonicContact OD1-NE 2.79Å; D240-R243 PolarHBondContact OD1-NE 2.91Å; D240-R243 IonicContact OD1-NH2 3.89Å; D240-R243 PolarHBondContact OD1-NH2 3.33Å; R243-N245 PolarHBondContact O-N 3.23Å; R243-R246 PolarHBondContact O-N 3.39Å; R243-D247 WeakPolarHBondContact O-CB 3.46Å; R243-D247 PolarHBondContact O-N 3.25Å
244	Q	98.3	Very high	97.3	Very high	79 Å²	79	45.9 Å²	45.9	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-44.5	-179.5	-65.6	-174	9.6	0	0	112.3	D240 P241 D247 F248 N470	D240-Q244 WeakPolarHBondContact O-CG 3.42Å; D240-Q244 PolarHBondContact O-N 2.88Å; D240-Q244 PolarHBondContact OD2-NE2 3.27Å; P241-Q244 PolarHBondContact O-N 3.41Å; Q244-D247 PolarHBondContact O-N 3.27Å; Q244-F248 VanDerWaalsContact O-CB 3.24Å; Q244-F248 WeakPolarHBondContact O-CB 3.2Å; Q244-F248 PolarHBondContact O-N 2.73Å; Q244-N470 PolarHBondContact OE1-ND2 2.97Å; Q244-N470 PolarHBondContact OE1-OD1 3.3Å
245	N	98.4	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.2	175.1	-79.2	167.2	0	0	0	112.5	A229 P241 R243 A249 Q467 N470 A471 N487 F491	A229-N245 HydrophobicContact CB-CB 4.15Å; P241-N245 PolarHBondContact O-N 3.32Å; R243-N245 PolarHBondContact O-N 3.23Å; N245-A249 WeakPolarHBondContact O-CB 3.44Å; N245-A249 PolarHBondContact O-N 2.95Å; N245-Q467 PolarHBondContact ND2-O 3.45Å; N245-Q467 PolarHBondContact ND2-OE1 2.93Å; N245-N470 VanDerWaalsContact ND2-CB 3.3Å; N245-N470 WeakPolarHBondContact ND2-CB 3.48Å; N245-A471 WeakPolarHBondContact OD1-CA 3.48Å; N245-A471 PolarHBondContact OD1-N 2.88Å; N245-N487 PolarHBondContact OD1-ND2 3.47Å; N245-F491 HydrophobicContact CB-CE2 3.98Å; N245-F491 HydrophobicContact CB-CZ 3.8Å
246	R	97.8	Very high	96.9	Very high	29 Å²	29	42.9 Å²	42.9	11%	0.109	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-50	178.6	-176.2	-161.7	65.4	162.2	-2.3	111	N170 A229 Y233 A242 R243 F248 A249 L250	N170-R246 PolarHBondContact OD1-NH1 2.97Å; A229-R246 HydrophobicContact CB-CB 4.25Å; Y233-R246 VanDerWaalsContact CD1-NH1 3.31Å; A242-R246 PolarHBondContact O-N 3.47Å; A242-R246 VanDerWaalsContact O-N 3.15Å; R243-R246 PolarHBondContact O-N 3.39Å; R246-F248 VanDerWaalsContact C-N 3.32Å; R246-F248 PolarHBondContact O-N 2.89Å; R246-A249 PolarHBondContact O-N 3.29Å; R246-L250 HydrophobicContact CG-CD1 3.94Å; R246-L250 HydrophobicContact CG-CG 4.5Å; R246-L250 WeakPolarHBondContact O-CB 3.33Å; R246-L250 WeakPolarHBondContact O-CG 3.3Å; R246-L250 PolarHBondContact O-N 3.3Å
247	D	97.9	Very high	96.8	Very high	50 Å²	50	42.7 Å²	42.7	27%	0.267	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-38.9	-177	-66.6	-2.1	0	0	0	110.8	R243 Q244 Q251	R243-D247 WeakPolarHBondContact O-CB 3.46Å; R243-D247 PolarHBondContact O-N 3.25Å; Q244-D247 PolarHBondContact O-N 3.27Å; D247-Q251 WeakPolarHBondContact O-CB 3.46Å; D247-Q251 WeakPolarHBondContact O-CG 3.31Å; D247-Q251 PolarHBondContact O-N 3.25Å
248	F	98.1	Very high	96.6	Very high	28 Å²	28	42 Å²	42	12%	0.123	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-51.4	171.8	171.5	-93.9	0	0	0	111.9	Q244 R246 L250 Q251 Q252 K463 L464 Q467	Q244-F248 VanDerWaalsContact O-CB 3.24Å; Q244-F248 WeakPolarHBondContact O-CB 3.2Å; Q244-F248 PolarHBondContact O-N 2.73Å; R246-F248 VanDerWaalsContact C-N 3.32Å; R246-F248 PolarHBondContact O-N 2.89Å; F248-L250 PolarHBondContact O-N 2.72Å; F248-Q251 PolarHBondContact O-N 3.28Å; F248-Q252 HydrophobicContact CD1-CG 4.29Å; F248-Q252 HydrophobicContact CD2-CG 4.4Å; F248-Q252 HydrophobicContact CE1-CG 3.84Å; F248-Q252 HydrophobicContact CE2-CG 3.97Å; F248-Q252 HydrophobicContact CZ-CG 3.67Å; F248-Q252 WeakPolarHBondContact O-CG 3.41Å; F248-Q252 PolarHBondContact O-N 2.82Å; F248-K463 HydrophobicContact CE2-CB 4.27Å; F248-K463 HydrophobicContact CZ-CB 4.41Å; F248-L464 HydrophobicContact CE1-CD1 4.33Å; F248-Q467 HydrophobicContact CB-CG 4.26Å; F248-Q467 HydrophobicContact CD1-CB 4.46Å; F248-Q467 HydrophobicContact CD1-CG 3.69Å; F248-Q467 HydrophobicContact CD2-CG 3.78Å; F248-Q467 HydrophobicContact CE1-CG 3.89Å; F248-Q467 HydrophobicContact CE2-CG 3.96Å; F248-Q467 HydrophobicContact CG-CG 3.63Å; F248-Q467 HydrophobicContact CZ-CG 4.01Å
249	A	97.6	Very high	96.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-42.8	-178.5	0	0	0	0	0	111.5	T222 L226 N245 R246 Q251 Q252 M253	T222-A249 HydrophobicContact CG2-CB 4.22Å; L226-A249 HydrophobicContact CB-CB 4.03Å; L226-A249 HydrophobicContact CD1-CB 3.94Å; N245-A249 WeakPolarHBondContact O-CB 3.44Å; N245-A249 PolarHBondContact O-N 2.95Å; R246-A249 PolarHBondContact O-N 3.29Å; A249-Q251 PolarHBondContact O-N 3.43Å; A249-Q252 PolarHBondContact O-N 3.48Å; A249-M253 VanDerWaalsContact O-CG 3.28Å; A249-M253 WeakPolarHBondContact O-CG 3.43Å; A249-M253 PolarHBondContact O-N 2.86Å
250	L	97.5	Very high	96	Very high	13 Å²	13	37 Å²	37	7%	0.068	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-46.4	174	-74.1	168.4	0	0	0	111.7	L166 N170 L226 R246 F248 M253 S254	L166-L250 HydrophobicContact CD1-CD2 3.53Å; L166-L250 HydrophobicContact CG-CD2 3.92Å; N170-L250 HydrophobicContact CB-CD1 3.87Å; N170-L250 HydrophobicContact CB-CD2 4.2Å; N170-L250 VanDerWaalsContact OD1-CD1 3.31Å; N170-L250 WeakPolarHBondContact OD1-CD1 3.24Å; L226-L250 HydrophobicContact CD1-CD2 3.63Å; L226-L250 HydrophobicContact CD1-CG 3.76Å; R246-L250 HydrophobicContact CG-CD1 3.94Å; R246-L250 HydrophobicContact CG-CG 4.5Å; R246-L250 WeakPolarHBondContact O-CB 3.33Å; R246-L250 WeakPolarHBondContact O-CG 3.3Å; R246-L250 PolarHBondContact O-N 3.3Å; F248-L250 PolarHBondContact O-N 2.72Å; L250-M253 PolarHBondContact O-N 2.63Å; L250-S254 PolarHBondContact O-N 2.92Å; L250-S254 PolarHBondContact O-OG 2.75Å
251	Q	96.4	Very high	95.6	Very high	126 Å²	126	36.3 Å²	36.3	59%	0.589	18%	0.175	S	C	*	.	H	α-helix	trans	-64.6	-40.7	179.3	-75	172.8	12.7	0	0	112.6	D247 F248 A249 K255	D247-Q251 WeakPolarHBondContact O-CB 3.46Å; D247-Q251 WeakPolarHBondContact O-CG 3.31Å; D247-Q251 PolarHBondContact O-N 3.25Å; F248-Q251 PolarHBondContact O-N 3.28Å; A249-Q251 PolarHBondContact O-N 3.43Å; Q251-K255 VanDerWaalsContact O-CB 3.24Å; Q251-K255 WeakPolarHBondContact O-CB 3.45Å; Q251-K255 PolarHBondContact O-N 3.21Å
252	Q	95.2	Very high	95.2	Very high	26 Å²	26	37.2 Å²	37.2	12%	0.121	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-43.2	175.8	-71.1	-51.9	-57.8	0	0	111.3	V218 T222 F248 A249 A256	V218-Q252 HydrophobicContact CG1-CB 4.38Å; T222-Q252 HydrophobicContact CG2-CB 3.98Å; F248-Q252 HydrophobicContact CD1-CG 4.29Å; F248-Q252 HydrophobicContact CD2-CG 4.4Å; F248-Q252 HydrophobicContact CE1-CG 3.84Å; F248-Q252 HydrophobicContact CE2-CG 3.97Å; F248-Q252 HydrophobicContact CZ-CG 3.67Å; F248-Q252 WeakPolarHBondContact O-CG 3.41Å; F248-Q252 PolarHBondContact O-N 2.82Å; A249-Q252 PolarHBondContact O-N 3.48Å; Q252-A256 WeakPolarHBondContact O-CB 3.48Å; Q252-A256 PolarHBondContact O-N 3.25Å
253	M	95.7	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-50	177.5	-66	-60.7	-77.1	0	0	111.7	L166 F185 I189 L219 T222 C223 L226 A249 L250 K255 A256 L257	L166-M253 HydrophobicContact CD1-CB 4.3Å; L166-M253 HydrophobicContact CD2-CB 3.72Å; F185-M253 HydrophobicContact CE1-CE 3.64Å; F185-M253 HydrophobicContact CZ-CE 3.39Å; I189-M253 HydrophobicContact CD1-CE 4.14Å; I189-M253 HydrophobicContact CG1-CE 4.29Å; L219-M253 HydrophobicContact CB-CE 4.23Å; L219-M253 HydrophobicContact CD2-CE 3.63Å; L219-M253 HydrophobicContact CD2-SD 3.9Å; T222-M253 VanDerWaalsContact CB-SD 3.57Å; T222-M253 HydrophobicContact CG2-CG 3.89Å; T222-M253 HydrophobicContact CG2-SD 3.8Å; C223-M253 HydrophobicContact CB-CE 4.48Å; L226-M253 HydrophobicContact CD2-CG 4.16Å; A249-M253 VanDerWaalsContact O-CG 3.28Å; A249-M253 WeakPolarHBondContact O-CG 3.43Å; A249-M253 PolarHBondContact O-N 2.86Å; L250-M253 PolarHBondContact O-N 2.63Å; M253-K255 VanDerWaalsContact C-N 3.33Å; M253-K255 PolarHBondContact O-N 3.24Å; M253-A256 PolarHBondContact O-N 3.41Å; M253-L257 WeakPolarHBondContact O-CG 3.5Å; M253-L257 PolarHBondContact O-N 3.22Å
254	S	96	Very high	94.1	Very high	30 Å²	30	32.6 Å²	32.6	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-43.7	177.9	-63.6	0	0	0	0	111.6	Q163 L166 L250 A256 L257 T258	Q163-S254 PolarHBondContact NE2-OG 3.37Å; L166-S254 WeakPolarHBondContact CD2-OG 3.49Å; L250-S254 PolarHBondContact O-N 2.92Å; L250-S254 PolarHBondContact O-OG 2.75Å; S254-A256 PolarHBondContact O-N 3.22Å; S254-L257 PolarHBondContact O-N 2.95Å; S254-T258 PolarHBondContact O-N 2.72Å; S254-T258 PolarHBondContact O-OG1 3.22Å
255	K	93.7	Very high	93.3	Very high	99 Å²	99	31.4 Å²	31.4	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-63.5	-40.4	177.7	-176.2	172.6	179.4	171.4	0	112	Q251 M253 T258 N259	Q251-K255 VanDerWaalsContact O-CB 3.24Å; Q251-K255 WeakPolarHBondContact O-CB 3.45Å; Q251-K255 PolarHBondContact O-N 3.21Å; M253-K255 VanDerWaalsContact C-N 3.33Å; M253-K255 PolarHBondContact O-N 3.24Å; K255-T258 PolarHBondContact O-N 3.13Å; K255-N259 WeakPolarHBondContact O-CB 3.46Å; K255-N259 VanDerWaalsContact O-CG 3.25Å; K255-N259 PolarHBondContact O-N 3Å; K255-N259 PolarHBondContact O-OD1 2.97Å
256	A	93	Very high	92.2	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-40.9	176.7	0	0	0	0	0	111.8	A215 V218 L219 Q252 M253 S254 N259 I260	A215-A256 HydrophobicContact CB-CB 4.44Å; V218-A256 HydrophobicContact CB-CB 4.08Å; V218-A256 HydrophobicContact CG1-CB 3.87Å; L219-A256 HydrophobicContact CD2-CB 3.66Å; L219-A256 HydrophobicContact CG-CB 3.81Å; Q252-A256 WeakPolarHBondContact O-CB 3.48Å; Q252-A256 PolarHBondContact O-N 3.25Å; M253-A256 PolarHBondContact O-N 3.41Å; S254-A256 PolarHBondContact O-N 3.22Å; A256-N259 PolarHBondContact O-N 2.91Å; A256-I260 WeakPolarHBondContact O-CG1 3.4Å; A256-I260 PolarHBondContact O-N 2.81Å
257	L	94.9	Very high	91.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-53.3	171	-66.9	173.3	0	0	0	110.7	M159 A162 Q163 L166 I189 L192 L219 M253 S254 N259 I260 E261	M159-L257 WeakPolarHBondContact CE-O 3.33Å; A162-L257 HydrophobicContact CB-CD1 4.26Å; A162-L257 HydrophobicContact CB-CD2 4.19Å; Q163-L257 HydrophobicContact CB-CD1 4.25Å; L166-L257 HydrophobicContact CD2-CD1 4.37Å; I189-L257 HydrophobicContact CD1-CD2 4.18Å; L192-L257 HydrophobicContact CD2-CD2 3.35Å; L219-L257 HydrophobicContact CD1-CD2 4.11Å; L219-L257 HydrophobicContact CD2-CD2 4.1Å; L219-L257 HydrophobicContact CD2-CG 4.05Å; M253-L257 WeakPolarHBondContact O-CG 3.5Å; M253-L257 PolarHBondContact O-N 3.22Å; S254-L257 PolarHBondContact O-N 2.95Å; L257-N259 VanDerWaalsContact C-N 3.26Å; L257-N259 PolarHBondContact O-N 2.84Å; L257-I260 PolarHBondContact O-N 2.85Å; L257-I260 VanDerWaalsContact O-N 3.09Å; L257-E261 PolarHBondContact O-N 2.94Å
258	T	92.3	Very high	89.9	Confident	60 Å²	60	39.2 Å²	39.2	37%	0.368	21%	0.21	S	C	.	.	H	α-helix	trans	-57.4	-38.4	178.6	-55.1	0	0	0	0	112.8	S254 K255 I260 E261 N262	S254-T258 PolarHBondContact O-N 2.72Å; S254-T258 PolarHBondContact O-OG1 3.22Å; K255-T258 PolarHBondContact O-N 3.13Å; T258-I260 PolarHBondContact O-N 3.12Å; T258-E261 PolarHBondContact O-N 3.46Å; T258-N262 WeakPolarHBondContact O-CB 3.46Å; T258-N262 VanDerWaalsContact O-CG 3.3Å; T258-N262 PolarHBondContact O-N 2.99Å; T258-N262 PolarHBondContact O-ND2 3.31Å
259	N	90.4	Very high	88.4	Confident	23 Å²	23	38.2 Å²	38.2	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-44.1	176.9	-81.5	1.5	0	0	0	111.9	A215 K255 A256 L257 E261 N262 V263 I269 N273	A215-N259 HydrophobicContact CB-CB 4.29Å; K255-N259 WeakPolarHBondContact O-CB 3.46Å; K255-N259 VanDerWaalsContact O-CG 3.25Å; K255-N259 PolarHBondContact O-N 3Å; K255-N259 PolarHBondContact O-OD1 2.97Å; A256-N259 PolarHBondContact O-N 2.91Å; L257-N259 VanDerWaalsContact C-N 3.26Å; L257-N259 PolarHBondContact O-N 2.84Å; N259-E261 VanDerWaalsContact C-N 3.27Å; N259-E261 PolarHBondContact O-N 2.66Å; N259-N262 PolarHBondContact O-N 3.48Å; N259-V263 WeakPolarHBondContact O-CG2 3.36Å; N259-V263 PolarHBondContact O-N 3.08Å; N259-V263 VanDerWaalsContact O-N 3.08Å; N259-I269 HydrophobicContact CB-CD1 4.36Å; N259-I269 WeakPolarHBondContact O-CD1 3.48Å; N259-N273 PolarHBondContact ND2-OD1 3.15Å
260	I	91.1	Very high	86.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-39.7	176.1	-62.4	168.6	0	0	0	109.9	M159 A215 R216 L219 A256 L257 T258 N262 V263 L264	M159-I260 HydrophobicContact CE-CB 3.51Å; M159-I260 HydrophobicContact CE-CG2 3.74Å; M159-I260 HydrophobicContact SD-CB 3.98Å; M159-I260 HydrophobicContact SD-CG2 3.47Å; M159-I260 WeakPolarHBondContact SD-CG2 3.43Å; A215-I260 HydrophobicContact CB-CD1 4.01Å; A215-I260 HydrophobicContact CB-CG1 3.52Å; R216-I260 HydrophobicContact CG-CD1 4.48Å; L219-I260 HydrophobicContact CD1-CD1 3.86Å; A256-I260 WeakPolarHBondContact O-CG1 3.4Å; A256-I260 PolarHBondContact O-N 2.81Å; L257-I260 PolarHBondContact O-N 2.85Å; L257-I260 VanDerWaalsContact O-N 3.09Å; T258-I260 PolarHBondContact O-N 3.12Å; I260-N262 PolarHBondContact O-N 3.17Å; I260-V263 PolarHBondContact O-N 3.31Å; I260-L264 HydrophobicContact CG2-CD1 3.77Å; I260-L264 HydrophobicContact CG2-CG 4.19Å; I260-L264 WeakPolarHBondContact O-CB 3.41Å; I260-L264 WeakPolarHBondContact O-CG 3.43Å; I260-L264 PolarHBondContact O-N 2.94Å
261	E	90.1	Very high	84.7	Confident	49 Å²	49	45.8 Å²	45.8	23%	0.229	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-42.3	-175	-177.3	172.1	-164.2	0	0	110.2	V156 M159 R160 L257 T258 N259 L264 S265	V156-E261 HydrophobicContact CG1-CG 4.18Å; V156-E261 HydrophobicContact CG2-CG 4.41Å; M159-E261 HydrophobicContact CE-CB 3.68Å; M159-E261 VanDerWaalsContact CE-N 3.29Å; R160-E261 IonicContact CZ-OE1 3.91Å; R160-E261 IonicContact NE-OE1 3.43Å; R160-E261 PolarHBondContact NE-OE1 3.48Å; R160-E261 IonicContact NH2-OE1 3.67Å; R160-E261 PolarHBondContact NH2-OE1 3.38Å; L257-E261 PolarHBondContact O-N 2.94Å; T258-E261 PolarHBondContact O-N 3.46Å; N259-E261 VanDerWaalsContact C-N 3.27Å; N259-E261 PolarHBondContact O-N 2.66Å; E261-L264 PolarHBondContact O-N 3.5Å; E261-S265 WeakPolarHBondContact O-CB 3.27Å; E261-S265 PolarHBondContact O-N 3.17Å; E261-S265 PolarHBondContact O-OG 2.94Å
262	N	88.8	Confident	82.7	Confident	43 Å²	43	43.5 Å²	43.5	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-42.9	177	-74.3	-13.2	0	0	0	111.5	T258 N259 I260 S265 G266 Q267 I269	T258-N262 WeakPolarHBondContact O-CB 3.46Å; T258-N262 VanDerWaalsContact O-CG 3.3Å; T258-N262 PolarHBondContact O-N 2.99Å; T258-N262 PolarHBondContact O-ND2 3.31Å; N259-N262 PolarHBondContact O-N 3.48Å; I260-N262 PolarHBondContact O-N 3.17Å; N262-S265 PolarHBondContact O-N 3.13Å; N262-G266 PolarHBondContact O-N 3.36Å; N262-Q267 HydrophobicContact CB-CB 4.36Å; N262-Q267 WeakPolarHBondContact O-CB 3.47Å; N262-Q267 PolarHBondContact O-N 3.42Å; N262-Q267 PolarHBondContact OD1-OE1 2.97Å; N262-I269 HydrophobicContact CB-CD1 3.23Å; N262-I269 HydrophobicContact CB-CG1 4.02Å
263	V	87.2	Confident	80.7	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-45.7	176.8	176.5	0	0	0	0	110.2	Q208 I212 N259 I260 S265 G266 I269	Q208-V263 HydrophobicContact CB-CG1 3.65Å; Q208-V263 HydrophobicContact CG-CG1 3.98Å; I212-V263 HydrophobicContact CD1-CG1 3.95Å; I212-V263 HydrophobicContact CG1-CB 4.15Å; I212-V263 HydrophobicContact CG1-CG1 3.85Å; N259-V263 WeakPolarHBondContact O-CG2 3.36Å; N259-V263 PolarHBondContact O-N 3.08Å; N259-V263 VanDerWaalsContact O-N 3.08Å; I260-V263 PolarHBondContact O-N 3.31Å; V263-S265 PolarHBondContact O-N 3.43Å; V263-G266 WeakPolarHBondContact O-CA 3.47Å; V263-G266 PolarHBondContact O-N 2.9Å; V263-I269 HydrophobicContact CB-CD1 4.43Å; V263-I269 HydrophobicContact CG2-CB 4.44Å; V263-I269 HydrophobicContact CG2-CD1 3.48Å; V263-I269 VanDerWaalsContact CG2-CD1 3.48Å; V263-I269 HydrophobicContact CG2-CG1 3.97Å
264	L	85.9	Confident	78.7	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-34.2	177.9	-72.6	177.7	0	0	0	112.2	V152 I155 V156 M159 R199 I212 I260 E261 G266	V152-L264 HydrophobicContact CG1-CB 3.94Å; V152-L264 HydrophobicContact CG1-CD2 4.4Å; I155-L264 HydrophobicContact CB-CD1 4.04Å; I155-L264 HydrophobicContact CG2-CD1 3.53Å; V156-L264 HydrophobicContact CG2-CB 4.31Å; V156-L264 HydrophobicContact CG2-CD1 4.02Å; M159-L264 HydrophobicContact SD-CD1 3.9Å; R199-L264 HydrophobicContact CG-CD2 3.75Å; I212-L264 HydrophobicContact CD1-CD2 4.27Å; I260-L264 HydrophobicContact CG2-CD1 3.77Å; I260-L264 HydrophobicContact CG2-CG 4.19Å; I260-L264 WeakPolarHBondContact O-CB 3.41Å; I260-L264 WeakPolarHBondContact O-CG 3.43Å; I260-L264 PolarHBondContact O-N 2.94Å; E261-L264 PolarHBondContact O-N 3.5Å; L264-G266 PolarHBondContact O-N 2.92Å
265	S	81.9	Confident	76.7	Confident	55 Å²	55	45.9 Å²	45.9	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.7	174.5	-57.6	0	0	0	0	113.5	E261 N262 V263	E261-S265 WeakPolarHBondContact O-CB 3.27Å; E261-S265 PolarHBondContact O-N 3.17Å; E261-S265 PolarHBondContact O-OG 2.94Å; N262-S265 PolarHBondContact O-N 3.13Å; V263-S265 PolarHBondContact O-N 3.43Å
266	G	75.4	Confident	74.8	Confident	27 Å²	27	47.7 Å²	47.7	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	14.1	179.2	0	0	0	0	0	115.2	R23 N262 V263 L264	R23-G266 VanDerWaalsContact NH1-CA 3.3Å; N262-G266 PolarHBondContact O-N 3.36Å; V263-G266 WeakPolarHBondContact O-CA 3.47Å; V263-G266 PolarHBondContact O-N 2.9Å; L264-G266 PolarHBondContact O-N 2.92Å
267	Q	76.4	Confident	73	Confident	105 Å²	105	49.2 Å²	49.2	49%	0.491	28%	0.283	S	S	.	.			trans	-77.3	136.6	171.9	-60.7	-178.4	4	0	0	110.1	N262 I269	N262-Q267 HydrophobicContact CB-CB 4.36Å; N262-Q267 WeakPolarHBondContact O-CB 3.47Å; N262-Q267 PolarHBondContact O-N 3.42Å; N262-Q267 PolarHBondContact OD1-OE1 2.97Å; Q267-I269 PolarHBondContact O-N 3.13Å
268	D	69.2	Low	71.4	Confident	110 Å²	110	54.7 Å²	54.7	59%	0.588	31%	0.312	S	S	*	.			trans	-82.8	104.1	172.3	-171.9	-1.4	0	0	0	110.1	S270	D268-S270 VanDerWaalsContact C-N 3.35Å; D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 2.9Å; D268-S270 PolarHBondContact OD1-OG 3.46Å
269	I	68.4	Low	70	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.041	31%	0.314	C	S	.	.			trans	-89.9	-5.9	-179.6	-49.8	-175.2	0	0	0	111	N259 N262 V263 Q267 Q271 S272 N273	N259-I269 HydrophobicContact CB-CD1 4.36Å; N259-I269 WeakPolarHBondContact O-CD1 3.48Å; N262-I269 HydrophobicContact CB-CD1 3.23Å; N262-I269 HydrophobicContact CB-CG1 4.02Å; V263-I269 HydrophobicContact CB-CD1 4.43Å; V263-I269 HydrophobicContact CG2-CB 4.44Å; V263-I269 HydrophobicContact CG2-CD1 3.48Å; V263-I269 VanDerWaalsContact CG2-CD1 3.48Å; V263-I269 HydrophobicContact CG2-CG1 3.97Å; Q267-I269 PolarHBondContact O-N 3.13Å; I269-Q271 PolarHBondContact O-N 3.25Å; I269-S272 WeakPolarHBondContact CG2-OG 3.36Å; I269-S272 PolarHBondContact O-N 3.02Å; I269-S272 PolarHBondContact O-OG 3.27Å; I269-N273 PolarHBondContact O-N 3.5Å
270	S	62	Low	69.2	Low	8 Å²	8	53.2 Å²	53.2	6%	0.056	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-36.8	-170.3	-55.5	0	0	0	0	112.7	D268 Y276	D268-S270 VanDerWaalsContact C-N 3.35Å; D268-S270 WeakPolarHBondContact OD1-CB 3.37Å; D268-S270 PolarHBondContact OD1-N 2.9Å; D268-S270 PolarHBondContact OD1-OG 3.46Å; S270-Y276 VanDerWaalsContact O-CE2 3.29Å; S270-Y276 WeakPolarHBondContact O-CE2 3.4Å
271	Q	54.6	Low	68.8	Low	164 Å²	164	54.5 Å²	54.5	77%	0.766	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-36.1	178.6	-63.5	-176.2	5.7	0	0	113.6	I269 N273	I269-Q271 PolarHBondContact O-N 3.25Å; Q271-N273 VanDerWaalsContact C-N 3.33Å; Q271-N273 PolarHBondContact O-N 2.91Å
272	S	53.9	Low	68.8	Low	79 Å²	79	52.6 Å²	52.6	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.9	-174.9	68.6	0	0	0	0	114.9	I269 G274	I269-S272 WeakPolarHBondContact CG2-OG 3.36Å; I269-S272 PolarHBondContact O-N 3.02Å; I269-S272 PolarHBondContact O-OG 3.27Å; S272-G274 PolarHBondContact O-N 3.38Å
273	N	54.2	Low	68.8	Low	24 Å²	24	50.8 Å²	50.8	13%	0.128	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.6	176.7	-80.4	-18.3	0	0	0	113.8	N259 I269 Q271 L275	N259-N273 PolarHBondContact ND2-OD1 3.15Å; I269-N273 PolarHBondContact O-N 3.5Å; Q271-N273 VanDerWaalsContact C-N 3.33Å; Q271-N273 PolarHBondContact O-N 2.91Å; N273-L275 HydrophobicContact CB-CD1 3.7Å; N273-L275 HydrophobicContact CB-CG 3.79Å; N273-L275 PolarHBondContact O-N 3.44Å
274	G	54	Low	68.8	Low	48 Å²	48	53 Å²	53	50%	0.495	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.1	179.9	0	0	0	0	0	114	S272 Y276	S272-G274 PolarHBondContact O-N 3.38Å; G274-Y276 PolarHBondContact O-N 3.47Å
275	L	53.5	Low	69	Low	33 Å²	33	52.3 Å²	52.3	17%	0.173	32%	0.317	C	S	.	.			trans	-67.6	-23.7	-177.1	-67.3	165.3	0	0	0	112.6	N273 G277 N455 Y456	N273-L275 HydrophobicContact CB-CD1 3.7Å; N273-L275 HydrophobicContact CB-CG 3.79Å; N273-L275 PolarHBondContact O-N 3.44Å; L275-G277 PolarHBondContact O-N 3Å; L275-N455 PolarHBondContact O-ND2 3.26Å; L275-Y456 HydrophobicContact CD2-CD2 4.19Å; L275-Y456 HydrophobicContact CD2-CG 4.48Å
276	Y	53.7	Low	69.5	Low	138 Å²	138	49.8 Å²	49.8	54%	0.541	30%	0.299	S	S	.	.			trans	-97.8	81.2	-178.6	-60.5	-80.8	0	0	0	110.3	S270 G274	S270-Y276 VanDerWaalsContact O-CE2 3.29Å; S270-Y276 WeakPolarHBondContact O-CE2 3.4Å; G274-Y276 PolarHBondContact O-N 3.47Å
277	G	54.7	Low	70.1	Confident	36 Å²	36	51.5 Å²	51.5	37%	0.371	30%	0.301	S	S	.	.			trans	-76.6	177.1	163.1	0	0	0	0	0	111.9	L275 A279 N455	L275-G277 PolarHBondContact O-N 3Å; G277-A279 PolarHBondContact O-N 3.43Å; G277-N455 PolarHBondContact N-ND2 3.16Å
278	D	61.4	Low	70.7	Confident	118 Å²	118	50 Å²	50	63%	0.631	29%	0.294	S	S	*	.			trans	-66.6	74.7	173.2	-172.7	35.8	0	0	0	110.5	G280 S281	D278-G280 PolarHBondContact O-N 3.08Å; D278-S281 WeakPolarHBondContact OD1-CB 3.22Å; D278-S281 WeakPolarHBondContact OD2-CB 3.22Å; D278-S281 PolarHBondContact OD2-OG 2.89Å
279	A	63.2	Low	71.9	Confident	49 Å²	49	44.8 Å²	44.8	41%	0.405	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	121.6	-171.8	0	0	0	0	0	110.4	G277 S281 V451	G277-A279 PolarHBondContact O-N 3.43Å; A279-S281 PolarHBondContact O-N 2.86Å; A279-V451 HydrophobicContact CB-CB 4.13Å; A279-V451 HydrophobicContact CB-CG1 3.57Å; A279-V451 HydrophobicContact CB-CG2 4.22Å
280	G	72.7	Confident	72.8	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	26.2	169	0	0	0	0	0	114.7	D278 L282 A283 A284 C442 K443 C445	D278-G280 PolarHBondContact O-N 3.08Å; G280-L282 VanDerWaalsContact C-N 3.25Å; G280-L282 PolarHBondContact O-N 3.05Å; G280-A283 PolarHBondContact O-N 3.26Å; G280-A284 WeakPolarHBondContact O-CB 3.47Å; G280-A284 PolarHBondContact O-N 3.5Å; G280-C442 WeakPolarHBondContact CA-O 3.46Å; G280-C442 PolarHBondContact N-O 3.47Å; G280-K443 CarbonylContact C-O 3.49Å; G280-K443 WeakPolarHBondContact CA-O 3.48Å; G280-C445 WeakPolarHBondContact CA-O 3.39Å
281	S	84.3	Confident	74	Confident	29 Å²	29	51 Å²	51	20%	0.203	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-33.5	-173.9	56.5	0	0	0	0	113.8	D278 A279 A285 R315	D278-S281 WeakPolarHBondContact OD1-CB 3.22Å; D278-S281 WeakPolarHBondContact OD2-CB 3.22Å; D278-S281 PolarHBondContact OD2-OG 2.89Å; A279-S281 PolarHBondContact O-N 2.86Å; S281-A285 WeakPolarHBondContact O-CB 3.21Å; S281-A285 PolarHBondContact O-N 3.35Å; S281-A285 VanDerWaalsContact O-N 3.09Å; S281-R315 PolarHBondContact O-NH1 2.72Å
282	L	90.1	Very high	75.6	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-80.8	-41.3	174.3	-174.5	55.3	0	0	0	111.9	G280 A284 A285 L286 I316 I323 L386 K443 M444	G280-L282 VanDerWaalsContact C-N 3.25Å; G280-L282 PolarHBondContact O-N 3.05Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-A284 PolarHBondContact O-N 3.39Å; L282-A285 VanDerWaalsContact O-CB 3.31Å; L282-A285 WeakPolarHBondContact O-CB 3.4Å; L282-A285 PolarHBondContact O-N 2.76Å; L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CG 3.28Å; L282-L286 PolarHBondContact O-N 3.28Å; L282-I316 HydrophobicContact CD1-CB 4.44Å; L282-I316 HydrophobicContact CD1-CG2 4.19Å; L282-I323 HydrophobicContact CD2-CD1 3.79Å; L282-L386 HydrophobicContact CD2-CD1 4.08Å; L282-K443 HydrophobicContact CB-CB 4.44Å; L282-K443 PolarHBondContact N-O 3.34Å; L282-M444 HydrophobicContact CB-SD 4.27Å; L282-M444 HydrophobicContact CD2-SD 3.67Å; L282-M444 HydrophobicContact CG-SD 3.89Å
283	A	87.6	Confident	77.3	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-43.8	173.8	0	0	0	0	0	112.2	G280 L286 N287 K443	G280-A283 PolarHBondContact O-N 3.26Å; A283-L286 PolarHBondContact O-N 2.84Å; A283-N287 WeakPolarHBondContact O-CB 3.44Å; A283-N287 PolarHBondContact O-N 3.19Å; A283-N287 PolarHBondContact O-ND2 2.72Å; A283-N287 PolarHBondContact O-OD1 3.47Å; A283-K443 PolarHBondContact N-O 3.35Å; A283-K443 VanDerWaalsContact N-O 3.07Å
284	A	87.8	Confident	78.8	Confident	52 Å²	52	45.3 Å²	45.3	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-38	174.4	0	0	0	0	0	111.3	G280 L282 N287 E288	G280-A284 WeakPolarHBondContact O-CB 3.47Å; G280-A284 PolarHBondContact O-N 3.5Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-A284 PolarHBondContact O-N 3.39Å; A284-N287 PolarHBondContact O-N 2.56Å; A284-E288 WeakPolarHBondContact O-CB 3.4Å; A284-E288 PolarHBondContact O-N 3.21Å
285	A	90.7	Very high	80.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-51	172.1	0	0	0	0	0	112.4	S281 L282 N287 E288 F289 I316	S281-A285 WeakPolarHBondContact O-CB 3.21Å; S281-A285 PolarHBondContact O-N 3.35Å; S281-A285 VanDerWaalsContact O-N 3.09Å; L282-A285 VanDerWaalsContact O-CB 3.31Å; L282-A285 WeakPolarHBondContact O-CB 3.4Å; L282-A285 PolarHBondContact O-N 2.76Å; A285-N287 VanDerWaalsContact C-N 3.34Å; A285-N287 PolarHBondContact O-N 3.24Å; A285-E288 PolarHBondContact O-N 3.2Å; A285-F289 VanDerWaalsContact O-CB 3.31Å; A285-F289 WeakPolarHBondContact O-CB 3.38Å; A285-F289 PolarHBondContact O-N 3.43Å; A285-I316 HydrophobicContact CB-CD1 4.33Å; A285-I316 HydrophobicContact CB-CG1 3.6Å
286	L	91.6	Very high	81.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-43.2	179.1	-70.3	161.6	0	0	0	111.1	L282 A283 F289 D290 I316 T379 L382 R383 L386 M444	L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CG 3.28Å; L282-L286 PolarHBondContact O-N 3.28Å; A283-L286 PolarHBondContact O-N 2.84Å; L286-F289 PolarHBondContact O-N 3.12Å; L286-D290 WeakPolarHBondContact O-CB 3.46Å; L286-D290 VanDerWaalsContact O-CG 3.26Å; L286-D290 PolarHBondContact O-N 3.42Å; L286-I316 HydrophobicContact CD2-CD1 4.15Å; L286-I316 HydrophobicContact CD2-CG1 4.4Å; L286-I316 HydrophobicContact CD2-CG2 3.6Å; L286-I316 HydrophobicContact CG-CG2 4.23Å; L286-T379 HydrophobicContact CD2-CG2 3.68Å; L286-L382 HydrophobicContact CD2-CD2 4.44Å; L286-R383 VanDerWaalsContact CB-NH2 3.34Å; L286-R383 HydrophobicContact CD1-CB 4.09Å; L286-R383 HydrophobicContact CD1-CG 4.01Å; L286-L386 HydrophobicContact CD1-CD1 4.36Å; L286-M444 HydrophobicContact CD1-CE 4.21Å
287	N	88.3	Confident	82.6	Confident	63 Å²	63	40.4 Å²	40.4	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-43.3	177.7	-66.7	-14.3	0	0	0	112	A283 A284 A285 F289 D290 H291 R383	A283-N287 WeakPolarHBondContact O-CB 3.44Å; A283-N287 PolarHBondContact O-N 3.19Å; A283-N287 PolarHBondContact O-ND2 2.72Å; A283-N287 PolarHBondContact O-OD1 3.47Å; A284-N287 PolarHBondContact O-N 2.56Å; A285-N287 VanDerWaalsContact C-N 3.34Å; A285-N287 PolarHBondContact O-N 3.24Å; N287-F289 VanDerWaalsContact C-N 3.33Å; N287-D290 PolarHBondContact O-N 3.34Å; N287-H291 PolarHBondContact O-CD2 3.11Å; N287-H291 PolarHBondContact O-N 3.29Å; N287-R383 PolarHBondContact OD1-NH2 2.98Å
288	E	89.8	Confident	83.7	Confident	74 Å²	74	42 Å²	42	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-41.2	176.8	-177.5	63.6	-171.2	0	0	111	A284 A285 H291 R292	A284-E288 WeakPolarHBondContact O-CB 3.4Å; A284-E288 PolarHBondContact O-N 3.21Å; A285-E288 PolarHBondContact O-N 3.2Å; E288-H291 PolarHBondContact O-N 2.93Å; E288-R292 HydrophobicContact CG-CG 4.28Å; E288-R292 WeakPolarHBondContact O-CB 3.48Å; E288-R292 VanDerWaalsContact O-CG 3.31Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 3.09Å; E288-R292 IonicContact OE1-CZ 2.88Å; E288-R292 IonicContact OE1-NE 3.77Å; E288-R292 PolarHBondContact OE1-NE 3.3Å; E288-R292 IonicContact OE1-NH2 3.31Å; E288-R292 PolarHBondContact OE1-NH2 2.87Å
289	F	93.8	Very high	84.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-51.5	174.1	-178.8	-102.8	0	0	0	111.3	A285 L286 N287 H291 R292 V293 E312 L313 I316 V344 L348 V375 T379	A285-F289 VanDerWaalsContact O-CB 3.31Å; A285-F289 WeakPolarHBondContact O-CB 3.38Å; A285-F289 PolarHBondContact O-N 3.43Å; L286-F289 PolarHBondContact O-N 3.12Å; N287-F289 VanDerWaalsContact C-N 3.33Å; F289-H291 PolarHBondContact O-N 3.17Å; F289-H291 VanDerWaalsContact O-N 3.14Å; F289-R292 PolarHBondContact O-N 3.08Å; F289-R292 VanDerWaalsContact O-N 3.09Å; F289-V293 HydrophobicContact CD1-CG2 3.9Å; F289-V293 HydrophobicContact CD2-CG2 4Å; F289-V293 HydrophobicContact CE1-CG2 3.65Å; F289-V293 HydrophobicContact CE2-CG2 3.75Å; F289-V293 HydrophobicContact CG-CG2 4.08Å; F289-V293 HydrophobicContact CZ-CG2 3.57Å; F289-V293 WeakPolarHBondContact O-CB 3.22Å; F289-V293 WeakPolarHBondContact O-CG2 3.44Å; F289-V293 PolarHBondContact O-N 2.84Å; F289-E312 HydrophobicContact CB-CG 4.2Å; F289-E312 HydrophobicContact CD2-CB 4.36Å; F289-E312 HydrophobicContact CD2-CG 4.3Å; F289-L313 HydrophobicContact CD2-CB 4.45Å; F289-L313 HydrophobicContact CE2-CB 3.89Å; F289-L313 HydrophobicContact CE2-CD1 4.48Å; F289-L313 HydrophobicContact CZ-CB 4.4Å; F289-L313 HydrophobicContact CZ-CD1 4.26Å; F289-I316 HydrophobicContact CB-CD1 3.51Å; F289-I316 HydrophobicContact CD1-CD1 4.3Å; F289-I316 HydrophobicContact CD2-CD1 4.3Å; F289-I316 HydrophobicContact CG-CD1 3.8Å; F289-V344 HydrophobicContact CE1-CG1 4.01Å; F289-V344 HydrophobicContact CZ-CG1 4.23Å; F289-L348 HydrophobicContact CE2-CD1 4.46Å; F289-L348 HydrophobicContact CE2-CD2 4.15Å; F289-L348 HydrophobicContact CZ-CD1 4.32Å; F289-L348 HydrophobicContact CZ-CD2 4.26Å; F289-V375 HydrophobicContact CE1-CG1 3.78Å; F289-V375 HydrophobicContact CZ-CG1 4.18Å; F289-T379 HydrophobicContact CD1-CG2 4.21Å
290	D	87.7	Confident	85.5	Confident	48 Å²	48	40.1 Å²	40.1	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-54.7	-35.4	176.2	-73.4	-30.9	0	0	0	111.8	L286 N287 T379 R383	L286-D290 WeakPolarHBondContact O-CB 3.46Å; L286-D290 VanDerWaalsContact O-CG 3.26Å; L286-D290 PolarHBondContact O-N 3.42Å; N287-D290 PolarHBondContact O-N 3.34Å; D290-T379 WeakPolarHBondContact OD1-CB 3.48Å; D290-T379 WeakPolarHBondContact OD1-CG2 3.49Å; D290-R383 IonicContact OD2-CZ 3.63Å; D290-R383 IonicContact OD2-NH1 3.78Å; D290-R383 PolarHBondContact OD2-NH1 3.43Å; D290-R383 VanDerWaalsContact OD2-NH1 3.13Å; D290-R383 IonicContact OD2-NH2 2.7Å; D290-R383 PolarHBondContact OD2-NH2 2.92Å
291	H	86.6	Confident	86.1	Confident	100 Å²	100	42.6 Å²	42.6	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-74.5	-45.4	175.5	-73.3	-48.7	0	0	0	113.6	N287 E288 F289 R700	N287-H291 PolarHBondContact O-CD2 3.11Å; N287-H291 PolarHBondContact O-N 3.29Å; E288-H291 PolarHBondContact O-N 2.93Å; F289-H291 PolarHBondContact O-N 3.17Å; F289-H291 VanDerWaalsContact O-N 3.14Å; H291-R700 PolarHBondContact O-NH1 3.36Å; H291-R700 PolarHBondContact O-NH2 2.86Å
292	R	88.4	Confident	86	Confident	93 Å²	93	43.3 Å²	43.3	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-72.7	-30	-175.9	-76	-171.7	-177.4	163.3	15.7	114.2	E288 F289 F294 L309 E312	E288-R292 HydrophobicContact CG-CG 4.28Å; E288-R292 WeakPolarHBondContact O-CB 3.48Å; E288-R292 VanDerWaalsContact O-CG 3.31Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 3.09Å; E288-R292 IonicContact OE1-CZ 2.88Å; E288-R292 IonicContact OE1-NE 3.77Å; E288-R292 PolarHBondContact OE1-NE 3.3Å; E288-R292 IonicContact OE1-NH2 3.31Å; E288-R292 PolarHBondContact OE1-NH2 2.87Å; F289-R292 PolarHBondContact O-N 3.08Å; F289-R292 VanDerWaalsContact O-N 3.09Å; R292-F294 PolarHBondContact O-N 3.03Å; R292-F294 VanDerWaalsContact O-N 3.1Å; R292-L309 HydrophobicContact CB-CD2 3.63Å; R292-E312 IonicContact CZ-OE2 2.77Å; R292-E312 IonicContact NH1-OE2 3.99Å; R292-E312 PolarHBondContact NH1-OE2 2.89Å; R292-E312 IonicContact NH2-OE2 2.72Å
293	V	90.1	Very high	85.7	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.3	178.1	160.7	0	0	0	0	111.9	F289 L309 L351 Y355 L372 V375	F289-V293 HydrophobicContact CD1-CG2 3.9Å; F289-V293 HydrophobicContact CD2-CG2 4Å; F289-V293 HydrophobicContact CE1-CG2 3.65Å; F289-V293 HydrophobicContact CE2-CG2 3.75Å; F289-V293 HydrophobicContact CG-CG2 4.08Å; F289-V293 HydrophobicContact CZ-CG2 3.57Å; F289-V293 WeakPolarHBondContact O-CB 3.22Å; F289-V293 WeakPolarHBondContact O-CG2 3.44Å; F289-V293 PolarHBondContact O-N 2.84Å; V293-L309 HydrophobicContact CG2-CD2 4.22Å; V293-L351 HydrophobicContact CB-CD2 4.5Å; V293-L351 HydrophobicContact CG1-CD2 3.34Å; V293-Y355 WeakPolarHBondContact O-CE2 3.33Å; V293-Y355 PolarHBondContact O-OH 3.32Å; V293-L372 HydrophobicContact CG1-CD2 3.89Å; V293-V375 HydrophobicContact CG1-CB 4.2Å; V293-V375 HydrophobicContact CG1-CG1 3.77Å; V293-V375 HydrophobicContact CG2-CG1 3.99Å
294	F	84.7	Confident	85.7	Confident	47 Å²	47	54.9 Å²	54.9	21%	0.206	30%	0.296	C	S	.	.			trans	-86.7	116.7	173.1	-179.2	-87.7	0	0	0	111.8	R292 Y355 L372 K697 R700	R292-F294 PolarHBondContact O-N 3.03Å; R292-F294 VanDerWaalsContact O-N 3.1Å; F294-Y355 WeakPolarHBondContact CA-OH 3.4Å; F294-L372 HydrophobicContact CD2-CD1 4.31Å; F294-K697 HydrophobicContact CD2-CG 4.4Å; F294-K697 HydrophobicContact CE2-CB 4.49Å; F294-K697 HydrophobicContact CE2-CD 4.05Å; F294-K697 HydrophobicContact CE2-CG 3.3Å; F294-K697 HydrophobicContact CZ-CB 4.42Å; F294-K697 HydrophobicContact CZ-CD 4.43Å; F294-K697 HydrophobicContact CZ-CG 3.56Å; F294-R700 VanDerWaalsContact CB-NH1 3.32Å; F294-R700 VanDerWaalsContact CG-CZ 3.4Å
295	V	84	Confident	85.7	Confident	25 Å²	25	53.4 Å²	53.4	15%	0.152	28%	0.282	C	S	.	.			trans	-126.5	141.4	175.8	-178.7	0	0	0	0	107.8	P297 Y300 V305 Y355	V295-P297 WeakPolarHBondContact O-CD 3.41Å; V295-Y300 HydrophobicContact CG1-CD2 4.44Å; V295-V305 HydrophobicContact CG1-CG2 4.35Å; V295-V305 HydrophobicContact CG2-CG1 3.87Å; V295-V305 HydrophobicContact CG2-CG2 4.36Å; V295-Y355 HydrophobicContact CB-CE1 4.17Å; V295-Y355 PolarHBondContact N-OH 3.42Å; V295-Y355 VanDerWaalsContact O-CE1 3.24Å; V295-Y355 WeakPolarHBondContact O-CE1 3.35Å; V295-Y355 PolarHBondContact O-OH 2.98Å
296	E	78.5	Confident	85.7	Confident	73 Å²	73	56.2 Å²	56.2	34%	0.341	29%	0.293	S	S	.	.			trans	-67.8	125.6	172.4	-167.9	163.5	-137	0	0	109	S298 N299 Y300 K834	E296-S298 PolarHBondContact O-N 3.29Å; E296-S298 VanDerWaalsContact O-N 3.07Å; E296-N299 HydrophobicContact CB-CB 4.39Å; E296-N299 WeakPolarHBondContact O-CA 3.49Å; E296-N299 PolarHBondContact O-N 3.43Å; E296-N299 PolarHBondContact OE2-ND2 3.38Å; E296-Y300 PolarHBondContact O-N 2.95Å; E296-K834 IonicContact OE1-NZ 3.17Å; E296-K834 PolarHBondContact OE1-NZ 2.82Å
297	P	78.7	Confident	85.7	Confident	18 Å²	18	59.4 Å²	59.4	12%	0.117	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-56.7	-30.5	-172.7	-28.1	34.9	0	0	0	114.4	V295 N299 Y300 N358 P364 L368	V295-P297 WeakPolarHBondContact O-CD 3.41Å; P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 PolarHBondContact O-N 3.42Å; P297-Y300 PolarHBondContact O-N 2.83Å; P297-N358 HydrophobicContact CB-CB 4.27Å; P297-P364 HydrophobicContact CG-CB 4.29Å; P297-L368 HydrophobicContact CG-CD2 3.72Å
298	S	77.3	Confident	85.9	Confident	69 Å²	69	58.9 Å²	58.9	48%	0.483	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.5	-24.9	175.3	60.6	0	0	0	0	113.9	E296	E296-S298 PolarHBondContact O-N 3.29Å; E296-S298 VanDerWaalsContact O-N 3.07Å
299	N	80.3	Confident	86.1	Confident	105 Å²	105	55.5 Å²	55.5	56%	0.561	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-103.4	2.9	-176.2	-55.2	-16.8	0	0	0	111.7	E296 P297 S301	E296-N299 HydrophobicContact CB-CB 4.39Å; E296-N299 WeakPolarHBondContact O-CA 3.49Å; E296-N299 PolarHBondContact O-N 3.43Å; E296-N299 PolarHBondContact OE2-ND2 3.38Å; P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 PolarHBondContact O-N 3.42Å; N299-S301 PolarHBondContact O-N 2.88Å
300	Y	83.4	Confident	86.2	Confident	22 Å²	22	58.5 Å²	58.5	9%	0.086	31%	0.313	C	S	.	.			trans	-66.3	124.6	-179.9	178.5	-98.9	0	0	0	110.6	V295 E296 P297 V305 L352 Y355 E356 A359	V295-Y300 HydrophobicContact CG1-CD2 4.44Å; E296-Y300 PolarHBondContact O-N 2.95Å; P297-Y300 PolarHBondContact O-N 2.83Å; Y300-V305 HydrophobicContact CD2-CB 4.09Å; Y300-V305 HydrophobicContact CD2-CG1 4.01Å; Y300-V305 HydrophobicContact CD2-CG2 4.15Å; Y300-V305 HydrophobicContact CE2-CB 3.85Å; Y300-V305 HydrophobicContact CE2-CG1 3.72Å; Y300-V305 HydrophobicContact CE2-CG2 4.42Å; Y300-L352 HydrophobicContact CE2-CD2 4.06Å; Y300-Y355 HydrophobicContact CD2-CD1 4.22Å; Y300-Y355 HydrophobicContact CD2-CD2 4.26Å; Y300-Y355 AromaticContact CD2-CG 3.81Å; Y300-Y355 HydrophobicContact CD2-CG 3.81Å; Y300-Y355 HydrophobicContact CE2-CD2 4.18Å; Y300-Y355 HydrophobicContact CE2-CG 4.01Å; Y300-Y355 HydrophobicContact CG-CG 4.33Å; Y300-E356 HydrophobicContact CE1-CG 3.56Å; Y300-A359 HydrophobicContact CD1-CB 4.49Å
301	S	84.1	Confident	86.5	Confident	55 Å²	55	59.3 Å²	59.3	39%	0.385	33%	0.326	S	S	.	.			trans	-124.5	109.7	172.5	173.4	0	0	0	0	108.6	N299 K303 A304 V305	N299-S301 PolarHBondContact O-N 2.88Å; S301-K303 PolarHBondContact O-N 2.95Å; S301-K303 VanDerWaalsContact O-N 3.16Å; S301-A304 PolarHBondContact O-N 3.49Å; S301-V305 WeakPolarHBondContact O-CB 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.24Å; S301-V305 PolarHBondContact O-N 3.08Å
302	S	82.7	Confident	86.9	Confident	44 Å²	44	55.4 Å²	55.4	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-55	-36	-179.3	-173.7	0	0	0	0	111.9	A304 R306 P307 E356	S302-A304 VanDerWaalsContact C-N 3.33Å; S302-A304 PolarHBondContact O-N 3.34Å; S302-R306 WeakPolarHBondContact O-CB 3.42Å; S302-R306 PolarHBondContact O-N 3.49Å; S302-P307 WeakPolarHBondContact O-CD 3.34Å; S302-E356 PolarHBondContact OG-OE1 3.44Å
303	K	84.8	Confident	87.2	Confident	195 Å²	195	51.1 Å²	51.1	85%	0.848	29%	0.292	S	S	*	.	H	α-helix	trans	-67.8	-25.8	179.2	-67.3	-173.8	179.2	-178.2	0	114.9	S301	S301-K303 PolarHBondContact O-N 2.95Å; S301-K303 VanDerWaalsContact O-N 3.16Å
304	A	86	Confident	87.4	Confident	61 Å²	61	54.6 Å²	54.6	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-105.1	-44.7	-176.7	0	0	0	0	0	112.1	S301 S302 S308	S301-A304 PolarHBondContact O-N 3.49Å; S302-A304 VanDerWaalsContact C-N 3.33Å; S302-A304 PolarHBondContact O-N 3.34Å; A304-S308 WeakPolarHBondContact O-CB 3.32Å
305	V	87.9	Confident	87.9	Confident	22 Å²	22	57.7 Å²	57.7	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-74.6	-47.6	-172.5	176.2	0	0	0	0	111.5	V295 Y300 S301 S308 L309 L352	V295-V305 HydrophobicContact CG1-CG2 4.35Å; V295-V305 HydrophobicContact CG2-CG1 3.87Å; V295-V305 HydrophobicContact CG2-CG2 4.36Å; Y300-V305 HydrophobicContact CD2-CB 4.09Å; Y300-V305 HydrophobicContact CD2-CG1 4.01Å; Y300-V305 HydrophobicContact CD2-CG2 4.15Å; Y300-V305 HydrophobicContact CE2-CB 3.85Å; Y300-V305 HydrophobicContact CE2-CG1 3.72Å; Y300-V305 HydrophobicContact CE2-CG2 4.42Å; S301-V305 WeakPolarHBondContact O-CB 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.24Å; S301-V305 PolarHBondContact O-N 3.08Å; V305-S308 PolarHBondContact O-N 2.96Å; V305-L309 HydrophobicContact CG1-CD1 3.65Å; V305-L309 HydrophobicContact CG1-CG 4.19Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 2.98Å; V305-L352 HydrophobicContact CG1-CD2 4.47Å
306	R	91.1	Very high	88.4	Confident	58 Å²	58	56.5 Å²	56.5	22%	0.219	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-54.2	-176.2	167	178.7	-103.5	144.3	-2.7	112.1	S302 S308 L309 E310 Q349 L352 E356	S302-R306 WeakPolarHBondContact O-CB 3.42Å; S302-R306 PolarHBondContact O-N 3.49Å; R306-S308 VanDerWaalsContact C-N 3.25Å; R306-S308 PolarHBondContact O-N 3.49Å; R306-L309 PolarHBondContact O-N 3.27Å; R306-E310 VanDerWaalsContact CG-CD 3.46Å; R306-E310 HydrophobicContact CG-CG 4.29Å; R306-E310 WeakPolarHBondContact CG-OE1 3.31Å; R306-E310 IonicContact NE-OE1 3.8Å; R306-E310 WeakPolarHBondContact O-CB 3.38Å; R306-E310 WeakPolarHBondContact O-CG 3.2Å; R306-E310 PolarHBondContact O-N 2.94Å; R306-Q349 VanDerWaalsContact NH2-OE1 3.1Å; R306-L352 HydrophobicContact CB-CD1 4.09Å; R306-L352 HydrophobicContact CB-CD2 4.23Å; R306-L352 HydrophobicContact CG-CD1 3.85Å; R306-E356 IonicContact CZ-OE1 3.84Å; R306-E356 IonicContact NH1-OE1 3.23Å; R306-E356 PolarHBondContact NH1-OE1 3.48Å; R306-E356 IonicContact NH1-OE2 3.49Å
307	P	92.2	Very high	89.2	Confident	68 Å²	68	54.1 Å²	54.1	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-34.7	179.3	-23.8	34.4	0	0	0	113.1	S302 A311	S302-P307 WeakPolarHBondContact O-CD 3.34Å; P307-A311 WeakPolarHBondContact O-CB 3.37Å; P307-A311 PolarHBondContact O-N 3.32Å
308	S	92.5	Very high	89.9	Confident	53 Å²	53	56.8 Å²	56.8	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-44.2	179	-179.7	0	0	0	0	112.4	A304 V305 R306 E312	A304-S308 WeakPolarHBondContact O-CB 3.32Å; V305-S308 PolarHBondContact O-N 2.96Å; R306-S308 VanDerWaalsContact C-N 3.25Å; R306-S308 PolarHBondContact O-N 3.49Å; S308-E312 WeakPolarHBondContact O-CB 3.3Å; S308-E312 PolarHBondContact O-N 2.62Å; S308-E312 VanDerWaalsContact O-N 3.11Å
309	L	93.9	Very high	90.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-70.9	-40	178.2	-70.9	178.4	0	0	0	112	R292 V293 V305 R306 E312 L313 L348 L352	R292-L309 HydrophobicContact CB-CD2 3.63Å; V293-L309 HydrophobicContact CG2-CD2 4.22Å; V305-L309 HydrophobicContact CG1-CD1 3.65Å; V305-L309 HydrophobicContact CG1-CG 4.19Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 2.98Å; R306-L309 PolarHBondContact O-N 3.27Å; L309-E312 PolarHBondContact O-N 3.3Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 PolarHBondContact O-N 3.41Å; L309-L348 HydrophobicContact CB-CD1 4.13Å; L309-L348 HydrophobicContact CB-CD2 4.28Å; L309-L348 HydrophobicContact CD1-CD1 4.06Å; L309-L352 HydrophobicContact CD1-CD2 4.16Å
310	E	95	Very high	91.3	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-44.7	176	-72.5	173.3	168	0	0	111.1	R306 E312 L313 E314 L348 Q349	R306-E310 VanDerWaalsContact CG-CD 3.46Å; R306-E310 HydrophobicContact CG-CG 4.29Å; R306-E310 WeakPolarHBondContact CG-OE1 3.31Å; R306-E310 IonicContact NE-OE1 3.8Å; R306-E310 WeakPolarHBondContact O-CB 3.38Å; R306-E310 WeakPolarHBondContact O-CG 3.2Å; R306-E310 PolarHBondContact O-N 2.94Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 3.31Å; E310-L313 PolarHBondContact O-N 2.77Å; E310-E314 WeakPolarHBondContact O-CG 3.43Å; E310-E314 PolarHBondContact O-N 2.95Å; E310-L348 HydrophobicContact CG-CD2 4.38Å; E310-Q349 PolarHBondContact OE1-NE2 2.92Å
311	A	94.2	Very high	91.8	Very high	64 Å²	64	50.2 Å²	50.2	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-39.8	176.2	0	0	0	0	0	112.7	P307 E314 R315	P307-A311 WeakPolarHBondContact O-CB 3.37Å; P307-A311 PolarHBondContact O-N 3.32Å; A311-E314 PolarHBondContact O-N 3.5Å; A311-R315 PolarHBondContact O-N 2.8Å; A311-R315 VanDerWaalsContact O-N 3.1Å
312	E	94.1	Very high	92.1	Very high	19 Å²	19	53 Å²	53	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-42.2	176	-165.9	64.7	-126.4	0	0	111.5	F289 R292 S308 L309 E310 R315 I316	F289-E312 HydrophobicContact CB-CG 4.2Å; F289-E312 HydrophobicContact CD2-CB 4.36Å; F289-E312 HydrophobicContact CD2-CG 4.3Å; R292-E312 IonicContact CZ-OE2 2.77Å; R292-E312 IonicContact NH1-OE2 3.99Å; R292-E312 PolarHBondContact NH1-OE2 2.89Å; R292-E312 IonicContact NH2-OE2 2.72Å; S308-E312 WeakPolarHBondContact O-CB 3.3Å; S308-E312 PolarHBondContact O-N 2.62Å; S308-E312 VanDerWaalsContact O-N 3.11Å; L309-E312 PolarHBondContact O-N 3.3Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 3.31Å; E312-R315 WeakPolarHBondContact O-CB 3.29Å; E312-R315 PolarHBondContact O-N 2.7Å; E312-R315 IonicContact OE1-CZ 2.79Å; E312-R315 IonicContact OE1-NE 3.88Å; E312-R315 PolarHBondContact OE1-NE 3.29Å; E312-R315 IonicContact OE1-NH2 2.69Å; E312-R315 PolarHBondContact OE1-NH2 3.48Å; E312-I316 WeakPolarHBondContact O-CG1 3.38Å; E312-I316 PolarHBondContact O-N 2.68Å; E312-I316 VanDerWaalsContact O-N 3.13Å
313	L	96	Very high	92.5	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-44.6	175.7	179.5	58.9	0	0	0	111.9	F289 L309 E310 R315 I316 I317 V344 R345 L348	F289-L313 HydrophobicContact CD2-CB 4.45Å; F289-L313 HydrophobicContact CE2-CB 3.89Å; F289-L313 HydrophobicContact CE2-CD1 4.48Å; F289-L313 HydrophobicContact CZ-CB 4.4Å; F289-L313 HydrophobicContact CZ-CD1 4.26Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 PolarHBondContact O-N 3.41Å; E310-L313 PolarHBondContact O-N 2.77Å; L313-R315 PolarHBondContact O-N 3.02Å; L313-I316 WeakPolarHBondContact O-CA 3.48Å; L313-I316 WeakPolarHBondContact O-CB 3.32Å; L313-I316 PolarHBondContact O-N 3.31Å; L313-I317 HydrophobicContact CD1-CD1 4Å; L313-I317 HydrophobicContact CD1-CG1 4.11Å; L313-I317 HydrophobicContact CD2-CD1 4.35Å; L313-I317 HydrophobicContact CG-CD1 3.81Å; L313-I317 HydrophobicContact CG-CG1 4.31Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 3.44Å; L313-V344 HydrophobicContact CD1-CB 4.31Å; L313-V344 HydrophobicContact CD1-CG1 3.48Å; L313-V344 VanDerWaalsContact CD1-CG1 3.48Å; L313-V344 HydrophobicContact CD2-CG1 4.22Å; L313-R345 HydrophobicContact CD2-CB 4.03Å; L313-R345 HydrophobicContact CD2-CG 4.28Å; L313-L348 HydrophobicContact CB-CD2 4.2Å; L313-L348 HydrophobicContact CD2-CB 4.35Å; L313-L348 HydrophobicContact CD2-CD2 3.65Å
314	E	94.9	Very high	92.8	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-65.3	-29.3	178.9	-69	-55.6	148.6	0	0	112.2	E310 A311 I317 S318 R345	E310-E314 WeakPolarHBondContact O-CG 3.43Å; E310-E314 PolarHBondContact O-N 2.95Å; A311-E314 PolarHBondContact O-N 3.5Å; E314-I317 PolarHBondContact O-N 2.91Å; E314-S318 WeakPolarHBondContact O-CB 3Å; E314-S318 PolarHBondContact O-N 2.66Å; E314-S318 PolarHBondContact O-OG 3.41Å; E314-R345 IonicContact OE1-CZ 3.88Å; E314-R345 IonicContact OE1-NE 2.99Å; E314-R345 PolarHBondContact OE1-NE 3.28Å; E314-R345 IonicContact OE1-NH2 2.94Å; E314-R345 PolarHBondContact OE1-NH2 3.48Å; E314-R345 IonicContact OE2-NH2 3.92Å; E314-R345 PolarHBondContact OE2-NH2 3.35Å
315	R	93.4	Very high	93.1	Very high	112 Å²	112	44.1 Å²	44.1	42%	0.423	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-43.4	169.3	-171	178.7	74.4	93.8	-15.3	112.1	S281 A311 E312 L313 S318 G319	S281-R315 PolarHBondContact O-NH1 2.72Å; A311-R315 PolarHBondContact O-N 2.8Å; A311-R315 VanDerWaalsContact O-N 3.1Å; E312-R315 WeakPolarHBondContact O-CB 3.29Å; E312-R315 PolarHBondContact O-N 2.7Å; E312-R315 IonicContact OE1-CZ 2.79Å; E312-R315 IonicContact OE1-NE 3.88Å; E312-R315 PolarHBondContact OE1-NE 3.29Å; E312-R315 IonicContact OE1-NH2 2.69Å; E312-R315 PolarHBondContact OE1-NH2 3.48Å; L313-R315 PolarHBondContact O-N 3.02Å; R315-S318 PolarHBondContact O-N 3.47Å; R315-G319 PolarHBondContact O-N 3.32Å; R315-G319 VanDerWaalsContact O-N 3.09Å
316	I	95.3	Very high	93.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-46.9	174.7	-69.5	163	0	0	0	110.3	L282 A285 L286 F289 E312 L313 S318 G319 A320 L382	L282-I316 HydrophobicContact CD1-CB 4.44Å; L282-I316 HydrophobicContact CD1-CG2 4.19Å; A285-I316 HydrophobicContact CB-CD1 4.33Å; A285-I316 HydrophobicContact CB-CG1 3.6Å; L286-I316 HydrophobicContact CD2-CD1 4.15Å; L286-I316 HydrophobicContact CD2-CG1 4.4Å; L286-I316 HydrophobicContact CD2-CG2 3.6Å; L286-I316 HydrophobicContact CG-CG2 4.23Å; F289-I316 HydrophobicContact CB-CD1 3.51Å; F289-I316 HydrophobicContact CD1-CD1 4.3Å; F289-I316 HydrophobicContact CD2-CD1 4.3Å; F289-I316 HydrophobicContact CG-CD1 3.8Å; E312-I316 WeakPolarHBondContact O-CG1 3.38Å; E312-I316 PolarHBondContact O-N 2.68Å; E312-I316 VanDerWaalsContact O-N 3.13Å; L313-I316 WeakPolarHBondContact O-CA 3.48Å; L313-I316 WeakPolarHBondContact O-CB 3.32Å; L313-I316 PolarHBondContact O-N 3.31Å; I316-S318 VanDerWaalsContact C-N 3.32Å; I316-S318 PolarHBondContact O-N 3Å; I316-G319 CarbonylContact O-C 3.39Å; I316-G319 PolarHBondContact O-N 3.3Å; I316-G319 VanDerWaalsContact O-N 3.13Å; I316-A320 WeakPolarHBondContact O-CB 3.48Å; I316-A320 PolarHBondContact O-N 3.37Å; I316-L382 HydrophobicContact CG2-CD2 3.94Å
317	I	95.4	Very high	92.8	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-39.1	-178.6	-68	177.3	0	0	0	110.9	L313 E314 G319 A320 A321 C341 R345	L313-I317 HydrophobicContact CD1-CD1 4Å; L313-I317 HydrophobicContact CD1-CG1 4.11Å; L313-I317 HydrophobicContact CD2-CD1 4.35Å; L313-I317 HydrophobicContact CG-CD1 3.81Å; L313-I317 HydrophobicContact CG-CG1 4.31Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 3.44Å; E314-I317 PolarHBondContact O-N 2.91Å; I317-G319 PolarHBondContact O-N 3Å; I317-A320 PolarHBondContact O-N 2.99Å; I317-A321 WeakPolarHBondContact O-CB 3.24Å; I317-A321 PolarHBondContact O-N 3.48Å; I317-C341 HydrophobicContact CD1-CB 4.35Å; I317-C341 HydrophobicContact CG1-CB 4.19Å; I317-R345 VanDerWaalsContact CD1-CZ 3.5Å
318	S	93.4	Very high	92.4	Very high	73 Å²	73	45.6 Å²	45.6	51%	0.51	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-42.9	173.4	-60.2	0	0	0	0	111.8	E314 R315 I316 A321 L322	E314-S318 WeakPolarHBondContact O-CB 3Å; E314-S318 PolarHBondContact O-N 2.66Å; E314-S318 PolarHBondContact O-OG 3.41Å; R315-S318 PolarHBondContact O-N 3.47Å; I316-S318 VanDerWaalsContact C-N 3.32Å; I316-S318 PolarHBondContact O-N 3Å; S318-A321 PolarHBondContact O-N 3.41Å; S318-L322 PolarHBondContact O-N 3.07Å
319	G	92.4	Very high	92.1	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-39.3	174.4	0	0	0	0	0	113.1	R315 I316 I317	R315-G319 PolarHBondContact O-N 3.32Å; R315-G319 VanDerWaalsContact O-N 3.09Å; I316-G319 CarbonylContact O-C 3.39Å; I316-G319 PolarHBondContact O-N 3.3Å; I316-G319 VanDerWaalsContact O-N 3.13Å; I317-G319 PolarHBondContact O-N 3Å
320	A	94.6	Very high	91.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-40.9	175.5	0	0	0	0	0	112.2	I316 I317 L322 I323 A324 I337 L386	I316-A320 WeakPolarHBondContact O-CB 3.48Å; I316-A320 PolarHBondContact O-N 3.37Å; I317-A320 PolarHBondContact O-N 2.99Å; A320-L322 VanDerWaalsContact C-N 3.35Å; A320-L322 PolarHBondContact O-N 3.37Å; A320-I323 PolarHBondContact O-N 3.24Å; A320-I323 VanDerWaalsContact O-N 3.16Å; A320-A324 WeakPolarHBondContact O-CB 3.35Å; A320-A324 PolarHBondContact O-N 2.9Å; A320-I337 HydrophobicContact CB-CG2 4.24Å; A320-L386 HydrophobicContact CB-CD1 4.24Å; A320-L386 HydrophobicContact CB-CD2 3.7Å
321	A	93.3	Very high	91.6	Very high	38 Å²	38	49.4 Å²	49.4	31%	0.314	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-41.9	178	0	0	0	0	0	111.9	I317 S318 I323 A324 D325	I317-A321 WeakPolarHBondContact O-CB 3.24Å; I317-A321 PolarHBondContact O-N 3.48Å; S318-A321 PolarHBondContact O-N 3.41Å; A321-I323 VanDerWaalsContact C-N 3.25Å; A321-I323 PolarHBondContact O-N 3.4Å; A321-A324 PolarHBondContact O-N 2.96Å; A321-A324 VanDerWaalsContact O-N 3.1Å; A321-D325 WeakPolarHBondContact O-CB 3.08Å; A321-D325 PolarHBondContact O-N 3.39Å
322	L	90.9	Very high	91.4	Very high	115 Å²	115	52.5 Å²	52.5	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-60.3	-34.5	175.9	-68.3	175.3	0	0	0	113.1	S318 A320	S318-L322 PolarHBondContact O-N 3.07Å; A320-L322 VanDerWaalsContact C-N 3.35Å; A320-L322 PolarHBondContact O-N 3.37Å
323	I	91.9	Very high	91.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-75.4	-43.2	174.2	-63.8	173	0	0	0	109.4	L282 A320 A321 D325 S326 T329 L386 A389 V390 M440 M444	L282-I323 HydrophobicContact CD2-CD1 3.79Å; A320-I323 PolarHBondContact O-N 3.24Å; A320-I323 VanDerWaalsContact O-N 3.16Å; A321-I323 VanDerWaalsContact C-N 3.25Å; A321-I323 PolarHBondContact O-N 3.4Å; I323-D325 PolarHBondContact O-N 3.26Å; I323-S326 PolarHBondContact O-N 3.22Å; I323-S326 PolarHBondContact O-OG 3.05Å; I323-T329 PolarHBondContact O-OG1 3.28Å; I323-L386 HydrophobicContact CB-CD2 4.26Å; I323-L386 HydrophobicContact CD1-CD2 4.13Å; I323-L386 HydrophobicContact CG2-CD2 4.38Å; I323-A389 HydrophobicContact CG2-CB 3.61Å; I323-V390 HydrophobicContact CD1-CG2 4.23Å; I323-V390 HydrophobicContact CG2-CG2 4.49Å; I323-M440 HydrophobicContact CD1-CG 4.5Å; I323-M440 HydrophobicContact CG1-CG 4.12Å; I323-M440 HydrophobicContact CG1-SD 4.16Å; I323-M440 HydrophobicContact CG2-SD 4.17Å; I323-M444 HydrophobicContact CD1-CG 4.47Å
324	A	91.4	Very high	91.2	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-35.9	-178.1	0	0	0	0	0	113.9	A320 A321 S326 K334 I337	A320-A324 WeakPolarHBondContact O-CB 3.35Å; A320-A324 PolarHBondContact O-N 2.9Å; A321-A324 PolarHBondContact O-N 2.96Å; A321-A324 VanDerWaalsContact O-N 3.1Å; A324-S326 VanDerWaalsContact C-N 3.34Å; A324-K334 HydrophobicContact CB-CG 4.32Å; A324-I337 HydrophobicContact CB-CB 4.41Å; A324-I337 HydrophobicContact CB-CD1 4.23Å; A324-I337 HydrophobicContact CB-CG2 4.09Å
325	D	90.8	Very high	91.2	Very high	107 Å²	107	55 Å²	55	57%	0.572	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.2	-178.3	-73	-34.5	0	0	0	114	A321 I323 K334	A321-D325 WeakPolarHBondContact O-CB 3.08Å; A321-D325 PolarHBondContact O-N 3.39Å; I323-D325 PolarHBondContact O-N 3.26Å; D325-K334 WeakPolarHBondContact OD1-CE 3.35Å; D325-K334 IonicContact OD1-NZ 2.97Å; D325-K334 PolarHBondContact OD1-NZ 3.48Å
326	S	89.2	Confident	91.2	Very high	25 Å²	25	52.6 Å²	52.6	18%	0.175	29%	0.292	C	S	.	.	S	Bend	trans	-77.5	150.4	179.4	63.3	0	0	0	0	112.4	I323 A324 N328 T329 H393	I323-S326 PolarHBondContact O-N 3.22Å; I323-S326 PolarHBondContact O-OG 3.05Å; A324-S326 VanDerWaalsContact C-N 3.34Å; S326-N328 VanDerWaalsContact C-N 3.32Å; S326-N328 PolarHBondContact O-N 3.06Å; S326-N328 VanDerWaalsContact O-N 3.11Å; S326-T329 PolarHBondContact O-N 3.34Å; S326-T329 PolarHBondContact OG-OG1 3.49Å; S326-H393 VanDerWaalsContact CB-CE1 3.49Å; S326-H393 WeakPolarHBondContact CB-CE1 2.8Å; S326-H393 PolarHBondContact OG-CE1 3.08Å; S326-H393 PolarHBondContact OG-NE2 2.98Å
327	T	83	Confident	91.2	Very high	120 Å²	120	52.7 Å²	52.7	74%	0.736	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.8	-162.5	56.9	0	0	0	0	116.6	K433	T327-K433 PolarHBondContact OG1-NZ 3.35Å
328	N	85.7	Confident	91.2	Very high	35 Å²	35	55 Å²	55	19%	0.187	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.9	-176.2	-49.3	7.2	0	0	0	112.3	S326 R330 H393 D396 S397 K433	S326-N328 VanDerWaalsContact C-N 3.32Å; S326-N328 PolarHBondContact O-N 3.06Å; S326-N328 VanDerWaalsContact O-N 3.11Å; N328-R330 PolarHBondContact O-N 3.37Å; N328-H393 WeakPolarHBondContact CB-ND1 3.21Å; N328-H393 PolarHBondContact N-CE1 3.36Å; N328-H393 VanDerWaalsContact N-CE1 3.34Å; N328-D396 HydrophobicContact CB-CB 4.42Å; N328-S397 PolarHBondContact ND2-OG 2.96Å; N328-S397 VanDerWaalsContact ND2-OG 3.13Å; N328-K433 WeakPolarHBondContact ND2-CE 3.4Å; N328-K433 PolarHBondContact OD1-NZ 3.37Å
329	T	86.4	Confident	91.2	Very high	12 Å²	12	57.1 Å²	57.1	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-76.8	114.9	172.6	-58.1	0	0	0	0	108.5	I323 S326 R333 K334 A389 H393	I323-T329 PolarHBondContact O-OG1 3.28Å; S326-T329 PolarHBondContact O-N 3.34Å; S326-T329 PolarHBondContact OG-OG1 3.49Å; T329-R333 HydrophobicContact CG2-CB 4.29Å; T329-K334 HydrophobicContact CG2-CB 4.3Å; T329-A389 HydrophobicContact CG2-CB 4.34Å; T329-H393 PolarHBondContact N-NE2 3.2Å; T329-H393 PolarHBondContact OG1-NE2 3.45Å
330	R	88.7	Confident	91.4	Very high	50 Å²	50	57 Å²	57	19%	0.189	30%	0.303	C	S	.	.			trans	-61.1	147.4	177.7	-71.7	159.9	171.6	65.5	2.9	111.6	N328 E332 R333 K334 D396 H522 E525	N328-R330 PolarHBondContact O-N 3.37Å; R330-E332 VanDerWaalsContact C-N 3.28Å; R330-E332 PolarHBondContact O-N 3.4Å; R330-R333 PolarHBondContact O-N 3.14Å; R330-K334 PolarHBondContact O-N 3.48Å; R330-D396 IonicContact CZ-OD2 2.83Å; R330-D396 IonicContact NH1-OD1 2.81Å; R330-D396 IonicContact NH1-OD2 3.93Å; R330-D396 PolarHBondContact NH1-OD2 3.33Å; R330-D396 IonicContact NH2-OD1 2.85Å; R330-D396 IonicContact NH2-OD2 2.95Å; R330-H522 PolarHBondContact NE-NE2 3.29Å; R330-H522 PolarHBondContact NH1-CE1 3.45Å; R330-H522 PolarHBondContact NH1-NE2 2.93Å; R330-H522 PolarHBondContact NH2-ND1 2.95Å; R330-E525 IonicContact CZ-OE2 2.91Å; R330-E525 IonicContact NE-OE2 3.98Å; R330-E525 PolarHBondContact NE-OE2 2.91Å; R330-E525 IonicContact NH2-OE2 3.22Å; R330-E525 PolarHBondContact NH2-OE2 3.47Å
331	D	89.4	Confident	91.5	Very high	136 Å²	136	57.4 Å²	57.4	73%	0.727	31%	0.306	S	S	*	.	H	α-helix	trans	-57.5	-38.5	-178.1	-74.8	-30.4	0	0	0	113.3	R333 K334 S335	D331-R333 VanDerWaalsContact C-N 3.33Å; D331-R333 PolarHBondContact O-N 3.06Å; D331-K334 PolarHBondContact O-N 3.25Å; D331-S335 WeakPolarHBondContact O-CB 3.37Å; D331-S335 PolarHBondContact O-N 3.41Å
332	E	89.7	Confident	91.6	Very high	130 Å²	130	59.6 Å²	59.6	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-43.8	175.6	-167.7	-164	145.4	0	0	111.3	R330 S335 K336	R330-E332 VanDerWaalsContact C-N 3.28Å; R330-E332 PolarHBondContact O-N 3.4Å; E332-S335 PolarHBondContact O-N 3.23Å; E332-K336 WeakPolarHBondContact O-CG 3.07Å; E332-K336 PolarHBondContact O-N 3.42Å; E332-K336 WeakPolarHBondContact OE1-CE 3.46Å; E332-K336 IonicContact OE1-NZ 3.84Å; E332-K336 PolarHBondContact OE1-NZ 3.05Å
333	R	92.8	Very high	91.9	Very high	27 Å²	27	55.3 Å²	55.3	10%	0.102	29%	0.293	C	S	.	.	H	α-helix	trans	-72.3	-38.1	179.8	-161.7	178.3	-52.5	-65.4	2.6	111.7	T329 R330 D331 S335 K336 I337 A389 D392	T329-R333 HydrophobicContact CG2-CB 4.29Å; R330-R333 PolarHBondContact O-N 3.14Å; D331-R333 VanDerWaalsContact C-N 3.33Å; D331-R333 PolarHBondContact O-N 3.06Å; R333-S335 VanDerWaalsContact C-N 3.32Å; R333-S335 PolarHBondContact O-N 3.48Å; R333-K336 PolarHBondContact O-N 3.22Å; R333-I337 HydrophobicContact CG-CD1 4.4Å; R333-I337 WeakPolarHBondContact O-CG1 3.44Å; R333-I337 PolarHBondContact O-N 3.17Å; R333-A389 VanDerWaalsContact CD-N 3.35Å; R333-A389 HydrophobicContact CG-CB 4.38Å; R333-D392 VanDerWaalsContact CD-OD2 3.3Å; R333-D392 WeakPolarHBondContact CD-OD2 3.27Å; R333-D392 IonicContact CZ-OD1 2.74Å; R333-D392 VanDerWaalsContact CZ-OD1 3.23Å; R333-D392 IonicContact CZ-OD2 3.02Å; R333-D392 IonicContact NE-OD1 2.68Å; R333-D392 PolarHBondContact NE-OD1 2.99Å; R333-D392 IonicContact NE-OD2 3.66Å; R333-D392 PolarHBondContact NE-OD2 3.19Å; R333-D392 IonicContact NH2-OD1 3.1Å; R333-D392 PolarHBondContact NH2-OD1 2.95Å; R333-D392 IonicContact NH2-OD2 2.7Å
334	K	93.6	Very high	92.1	Very high	70 Å²	70	55.2 Å²	55.2	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-56.1	-48	171.3	-178.9	174.6	-173.5	164.9	0	110.8	A324 D325 T329 R330 D331 K336 I337 V338	A324-K334 HydrophobicContact CB-CG 4.32Å; D325-K334 WeakPolarHBondContact OD1-CE 3.35Å; D325-K334 IonicContact OD1-NZ 2.97Å; D325-K334 PolarHBondContact OD1-NZ 3.48Å; T329-K334 HydrophobicContact CG2-CB 4.3Å; R330-K334 PolarHBondContact O-N 3.48Å; D331-K334 PolarHBondContact O-N 3.25Å; K334-K336 PolarHBondContact O-N 3.11Å; K334-I337 PolarHBondContact O-N 3.13Å; K334-V338 WeakPolarHBondContact O-CG2 3.38Å; K334-V338 PolarHBondContact O-N 2.93Å
335	S	93.7	Very high	92.3	Very high	57 Å²	57	58.3 Å²	58.3	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-46.9	176	-173.2	0	0	0	0	111.9	D331 E332 R333 I337 V338 Q339	D331-S335 WeakPolarHBondContact O-CB 3.37Å; D331-S335 PolarHBondContact O-N 3.41Å; E332-S335 PolarHBondContact O-N 3.23Å; R333-S335 VanDerWaalsContact C-N 3.32Å; R333-S335 PolarHBondContact O-N 3.48Å; S335-I337 PolarHBondContact O-N 3.41Å; S335-V338 PolarHBondContact O-N 2.93Å; S335-Q339 WeakPolarHBondContact O-CB 3.42Å; S335-Q339 VanDerWaalsContact O-CG 3.25Å; S335-Q339 WeakPolarHBondContact O-CG 3.44Å; S335-Q339 PolarHBondContact O-N 3.47Å; S335-Q339 PolarHBondContact OG-NE2 2.97Å
336	K	93.7	Very high	92.6	Very high	61 Å²	61	58.4 Å²	58.4	27%	0.265	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-44.8	176.2	-74.9	172.6	170.8	171.3	0	112.6	E332 R333 K334 Q339 E340	E332-K336 WeakPolarHBondContact O-CG 3.07Å; E332-K336 PolarHBondContact O-N 3.42Å; E332-K336 WeakPolarHBondContact OE1-CE 3.46Å; E332-K336 IonicContact OE1-NZ 3.84Å; E332-K336 PolarHBondContact OE1-NZ 3.05Å; R333-K336 PolarHBondContact O-N 3.22Å; K334-K336 PolarHBondContact O-N 3.11Å; K336-Q339 PolarHBondContact O-N 3.34Å; K336-E340 WeakPolarHBondContact O-CB 3.46Å; K336-E340 PolarHBondContact O-N 3.05Å
337	I	94.6	Very high	92.9	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-46.1	176.9	-68.2	165.5	0	0	0	111.1	A320 A324 R333 K334 S335 E340 C341 L382 H385 L386 A389	A320-I337 HydrophobicContact CB-CG2 4.24Å; A324-I337 HydrophobicContact CB-CB 4.41Å; A324-I337 HydrophobicContact CB-CD1 4.23Å; A324-I337 HydrophobicContact CB-CG2 4.09Å; R333-I337 HydrophobicContact CG-CD1 4.4Å; R333-I337 WeakPolarHBondContact O-CG1 3.44Å; R333-I337 PolarHBondContact O-N 3.17Å; K334-I337 PolarHBondContact O-N 3.13Å; S335-I337 PolarHBondContact O-N 3.41Å; I337-E340 PolarHBondContact O-N 3.21Å; I337-C341 WeakPolarHBondContact O-CB 3.27Å; I337-C341 PolarHBondContact O-N 3.38Å; I337-C341 PolarHBondContact O-SG 3.39Å; I337-L382 HydrophobicContact CG2-CD1 4.23Å; I337-H385 HydrophobicContact CG1-CB 3.82Å; I337-L386 HydrophobicContact CD1-CD2 4.28Å; I337-L386 HydrophobicContact CG2-CD2 4.23Å; I337-A389 HydrophobicContact CD1-CB 3.82Å
338	V	95.3	Very high	93.6	Very high	71 Å²	71	51.7 Å²	51.7	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-43.7	-179.5	172	0	0	0	0	111.2	K334 S335 E340 C341 N342	K334-V338 WeakPolarHBondContact O-CG2 3.38Å; K334-V338 PolarHBondContact O-N 2.93Å; S335-V338 PolarHBondContact O-N 2.93Å; V338-E340 VanDerWaalsContact C-N 3.34Å; V338-C341 PolarHBondContact O-N 3.43Å; V338-N342 PolarHBondContact O-N 3.39Å; V338-N342 VanDerWaalsContact O-N 3.12Å; V338-N342 PolarHBondContact O-ND2 2.87Å
339	Q	94.9	Very high	94.1	Very high	119 Å²	119	52.4 Å²	52.4	56%	0.556	26%	0.261	S	S	*	.	H	α-helix	trans	-59.9	-45.9	175.5	-72.1	175.2	34.3	0	0	111.1	S335 K336 N342 A343	S335-Q339 WeakPolarHBondContact O-CB 3.42Å; S335-Q339 VanDerWaalsContact O-CG 3.25Å; S335-Q339 WeakPolarHBondContact O-CG 3.44Å; S335-Q339 PolarHBondContact O-N 3.47Å; S335-Q339 PolarHBondContact OG-NE2 2.97Å; K336-Q339 PolarHBondContact O-N 3.34Å; Q339-N342 PolarHBondContact O-N 3.45Å; Q339-A343 WeakPolarHBondContact O-CB 3.43Å; Q339-A343 PolarHBondContact O-N 2.7Å
340	E	95.9	Very high	94.5	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-36.8	-178.2	-161	54.4	-135.2	0	0	112.2	K336 I337 V338 N342 A343 V344 R378 D381 L382	K336-E340 WeakPolarHBondContact O-CB 3.46Å; K336-E340 PolarHBondContact O-N 3.05Å; I337-E340 PolarHBondContact O-N 3.21Å; V338-E340 VanDerWaalsContact C-N 3.34Å; E340-N342 VanDerWaalsContact C-N 3.29Å; E340-N342 PolarHBondContact O-N 3.35Å; E340-A343 WeakPolarHBondContact O-CB 3.49Å; E340-A343 PolarHBondContact O-N 3.17Å; E340-A343 VanDerWaalsContact O-N 3.12Å; E340-V344 WeakPolarHBondContact O-CG2 3.32Å; E340-V344 PolarHBondContact O-N 3.36Å; E340-R378 WeakPolarHBondContact OE1-CA 3.32Å; E340-R378 VanDerWaalsContact OE1-CB 3.29Å; E340-R378 WeakPolarHBondContact OE1-CB 3.3Å; E340-R378 WeakPolarHBondContact OE1-CD 3.34Å; E340-R378 IonicContact OE1-NH1 3.59Å; E340-R378 IonicContact OE2-NH1 3.79Å; E340-D381 HydrophobicContact CG-CB 3.9Å; E340-L382 HydrophobicContact CB-CD1 4.47Å; E340-L382 HydrophobicContact CG-CB 3.88Å
341	C	96.9	Very high	94.7	Very high	9 Å²	9	53 Å²	53	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-43.2	169.8	-77.8	0	0	0	0	112	I317 I337 V338 R345	I317-C341 HydrophobicContact CD1-CB 4.35Å; I317-C341 HydrophobicContact CG1-CB 4.19Å; I337-C341 WeakPolarHBondContact O-CB 3.27Å; I337-C341 PolarHBondContact O-N 3.38Å; I337-C341 PolarHBondContact O-SG 3.39Å; V338-C341 PolarHBondContact O-N 3.43Å; C341-R345 PolarHBondContact O-N 3.38Å; C341-R345 VanDerWaalsContact O-N 3.11Å
342	N	96.1	Very high	94.9	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-68.9	-36.6	176	-69.9	-32.4	0	0	0	111.9	V338 Q339 E340 R345 Q346	V338-N342 PolarHBondContact O-N 3.39Å; V338-N342 VanDerWaalsContact O-N 3.12Å; V338-N342 PolarHBondContact O-ND2 2.87Å; Q339-N342 PolarHBondContact O-N 3.45Å; E340-N342 VanDerWaalsContact C-N 3.29Å; E340-N342 PolarHBondContact O-N 3.35Å; N342-R345 PolarHBondContact O-N 3.37Å; N342-R345 PolarHBondContact OD1-NH1 3.33Å; N342-Q346 PolarHBondContact O-N 2.95Å
343	A	95.7	Very high	95	Very high	24 Å²	24	42.9 Å²	42.9	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176.5	0	0	0	0	0	112.2	Q339 E340 R345 Q346 A347 R378	Q339-A343 WeakPolarHBondContact O-CB 3.43Å; Q339-A343 PolarHBondContact O-N 2.7Å; E340-A343 WeakPolarHBondContact O-CB 3.49Å; E340-A343 PolarHBondContact O-N 3.17Å; E340-A343 VanDerWaalsContact O-N 3.12Å; A343-R345 VanDerWaalsContact C-N 3.33Å; A343-R345 PolarHBondContact O-N 2.83Å; A343-Q346 PolarHBondContact O-N 3.48Å; A343-A347 VanDerWaalsContact O-CB 3.32Å; A343-A347 WeakPolarHBondContact O-CB 3.32Å; A343-A347 PolarHBondContact O-N 3.33Å; A343-R378 HydrophobicContact CB-CG 4.47Å
344	V	96.6	Very high	95	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-42.6	172.4	178.4	0	0	0	0	110.6	F289 L313 E340 A347 L348 R378 L382	F289-V344 HydrophobicContact CE1-CG1 4.01Å; F289-V344 HydrophobicContact CZ-CG1 4.23Å; L313-V344 HydrophobicContact CD1-CB 4.31Å; L313-V344 HydrophobicContact CD1-CG1 3.48Å; L313-V344 VanDerWaalsContact CD1-CG1 3.48Å; L313-V344 HydrophobicContact CD2-CG1 4.22Å; E340-V344 WeakPolarHBondContact O-CG2 3.32Å; E340-V344 PolarHBondContact O-N 3.36Å; V344-A347 PolarHBondContact O-N 3.14Å; V344-L348 WeakPolarHBondContact O-CB 3.2Å; V344-L348 PolarHBondContact O-N 3.31Å; V344-R378 HydrophobicContact CB-CB 4.39Å; V344-R378 HydrophobicContact CG2-CB 3.61Å; V344-L382 HydrophobicContact CG2-CB 4.28Å; V344-L382 HydrophobicContact CG2-CD2 4.2Å
345	R	96.8	Very high	94.9	Very high	68 Å²	68	39.5 Å²	39.5	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-61.3	-45.4	176.9	-170	-178.7	-69.1	110.2	-11.5	111.9	L313 E314 I317 C341 N342 A343 L348 Q349	L313-R345 HydrophobicContact CD2-CB 4.03Å; L313-R345 HydrophobicContact CD2-CG 4.28Å; E314-R345 IonicContact OE1-CZ 3.88Å; E314-R345 IonicContact OE1-NE 2.99Å; E314-R345 PolarHBondContact OE1-NE 3.28Å; E314-R345 IonicContact OE1-NH2 2.94Å; E314-R345 PolarHBondContact OE1-NH2 3.48Å; E314-R345 IonicContact OE2-NH2 3.92Å; E314-R345 PolarHBondContact OE2-NH2 3.35Å; I317-R345 VanDerWaalsContact CD1-CZ 3.5Å; C341-R345 PolarHBondContact O-N 3.38Å; C341-R345 VanDerWaalsContact O-N 3.11Å; N342-R345 PolarHBondContact O-N 3.37Å; N342-R345 PolarHBondContact OD1-NH1 3.33Å; A343-R345 VanDerWaalsContact C-N 3.33Å; A343-R345 PolarHBondContact O-N 2.83Å; R345-L348 PolarHBondContact O-N 3.42Å; R345-Q349 WeakPolarHBondContact O-CG 3.37Å; R345-Q349 PolarHBondContact O-N 2.93Å; R345-Q349 VanDerWaalsContact O-N 3.12Å
346	Q	97.1	Very high	94.7	Very high	109 Å²	109	40.4 Å²	40.4	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-47.2	176.7	-176.2	58.9	48.1	0	0	111.5	N342 A343 L348 Q349 D350	N342-Q346 PolarHBondContact O-N 2.95Å; A343-Q346 PolarHBondContact O-N 3.48Å; Q346-L348 PolarHBondContact O-N 3.1Å; Q346-Q349 PolarHBondContact O-N 3.27Å; Q346-D350 PolarHBondContact NE2-OD1 3.41Å; Q346-D350 PolarHBondContact O-N 3.43Å
347	A	95.3	Very high	94.4	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-37.6	178.2	0	0	0	0	0	111.9	A343 V344 D350 L351 V375 R378	A343-A347 VanDerWaalsContact O-CB 3.32Å; A343-A347 WeakPolarHBondContact O-CB 3.32Å; A343-A347 PolarHBondContact O-N 3.33Å; V344-A347 PolarHBondContact O-N 3.14Å; A347-D350 PolarHBondContact O-N 3.25Å; A347-L351 VanDerWaalsContact O-CB 3.32Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 PolarHBondContact O-N 2.89Å; A347-V375 HydrophobicContact CB-CG2 3.72Å; A347-V375 VanDerWaalsContact O-CG2 3.27Å; A347-V375 WeakPolarHBondContact O-CG2 3.37Å; A347-R378 HydrophobicContact CB-CG 4.16Å
348	L	96.3	Very high	94	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-42.9	173.7	178.3	61.9	0	0	0	111.6	F289 L309 E310 L313 V344 R345 Q346 L351 L352	F289-L348 HydrophobicContact CE2-CD1 4.46Å; F289-L348 HydrophobicContact CE2-CD2 4.15Å; F289-L348 HydrophobicContact CZ-CD1 4.32Å; F289-L348 HydrophobicContact CZ-CD2 4.26Å; L309-L348 HydrophobicContact CB-CD1 4.13Å; L309-L348 HydrophobicContact CB-CD2 4.28Å; L309-L348 HydrophobicContact CD1-CD1 4.06Å; E310-L348 HydrophobicContact CG-CD2 4.38Å; L313-L348 HydrophobicContact CB-CD2 4.2Å; L313-L348 HydrophobicContact CD2-CB 4.35Å; L313-L348 HydrophobicContact CD2-CD2 3.65Å; V344-L348 WeakPolarHBondContact O-CB 3.2Å; V344-L348 PolarHBondContact O-N 3.31Å; R345-L348 PolarHBondContact O-N 3.42Å; Q346-L348 PolarHBondContact O-N 3.1Å; L348-L351 PolarHBondContact O-N 3.49Å; L348-L352 HydrophobicContact CD1-CD1 4.28Å; L348-L352 HydrophobicContact CD1-CG 4.18Å; L348-L352 HydrophobicContact CG-CD1 4.09Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CB 3.46Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.27Å; L348-L352 PolarHBondContact O-N 3.24Å
349	Q	95.9	Very high	93.3	Very high	51 Å²	51	43.6 Å²	43.6	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-38.9	177.9	-66.5	-55.2	-31.7	0	0	112.5	R306 E310 R345 Q346 L351 L352 T353	R306-Q349 VanDerWaalsContact NH2-OE1 3.1Å; E310-Q349 PolarHBondContact OE1-NE2 2.92Å; R345-Q349 WeakPolarHBondContact O-CG 3.37Å; R345-Q349 PolarHBondContact O-N 2.93Å; R345-Q349 VanDerWaalsContact O-N 3.12Å; Q346-Q349 PolarHBondContact O-N 3.27Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; Q349-L352 PolarHBondContact O-N 2.97Å; Q349-T353 WeakPolarHBondContact O-CB 3.44Å; Q349-T353 PolarHBondContact O-N 3.42Å; Q349-T353 PolarHBondContact O-OG1 3.44Å
350	D	95.4	Very high	92.4	Very high	75 Å²	75	41.1 Å²	41.1	40%	0.401	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-44.7	174.2	-63.6	-22.2	0	0	0	110.5	Q346 A347 T353 E354	Q346-D350 PolarHBondContact NE2-OD1 3.41Å; Q346-D350 PolarHBondContact O-N 3.43Å; A347-D350 PolarHBondContact O-N 3.25Å; D350-T353 WeakPolarHBondContact O-CB 3.36Å; D350-T353 PolarHBondContact O-N 3.11Å; D350-E354 PolarHBondContact O-N 2.86Å
351	L	94.2	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-46.6	176	174.6	64.2	0	0	0	112.6	V293 A347 L348 Q349 T353 E354 Y355 L368 A371 L372 V375	V293-L351 HydrophobicContact CB-CD2 4.5Å; V293-L351 HydrophobicContact CG1-CD2 3.34Å; A347-L351 VanDerWaalsContact O-CB 3.32Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 PolarHBondContact O-N 2.89Å; L348-L351 PolarHBondContact O-N 3.49Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; L351-T353 VanDerWaalsContact C-N 3.27Å; L351-T353 PolarHBondContact O-N 3.34Å; L351-E354 PolarHBondContact O-N 3.15Å; L351-Y355 HydrophobicContact CD1-CD2 3.89Å; L351-Y355 HydrophobicContact CD1-CE2 3.54Å; L351-Y355 HydrophobicContact CD2-CD2 4.49Å; L351-Y355 HydrophobicContact CD2-CE2 3.86Å; L351-Y355 HydrophobicContact CG-CD2 3.77Å; L351-Y355 HydrophobicContact CG-CE2 3.55Å; L351-Y355 WeakPolarHBondContact O-CD2 3.34Å; L351-Y355 PolarHBondContact O-N 2.84Å; L351-L368 HydrophobicContact CD1-CD1 3.69Å; L351-A371 HydrophobicContact CB-CB 4.17Å; L351-A371 HydrophobicContact CD1-CB 3.97Å; L351-L372 HydrophobicContact CD1-CB 4.49Å; L351-L372 HydrophobicContact CD1-CD2 3.73Å; L351-L372 HydrophobicContact CD1-CG 3.66Å; L351-L372 HydrophobicContact CD2-CD2 3.9Å; L351-L372 HydrophobicContact CG-CD2 4.49Å; L351-V375 HydrophobicContact CB-CG2 3.98Å; L351-V375 HydrophobicContact CD2-CB 4.48Å; L351-V375 HydrophobicContact CD2-CG2 3.88Å
352	L	93	Very high	90.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-38.1	177.9	-70.9	172.3	0	0	0	111.4	Y300 V305 R306 L309 L348 Q349 Y355 E356	Y300-L352 HydrophobicContact CE2-CD2 4.06Å; V305-L352 HydrophobicContact CG1-CD2 4.47Å; R306-L352 HydrophobicContact CB-CD1 4.09Å; R306-L352 HydrophobicContact CB-CD2 4.23Å; R306-L352 HydrophobicContact CG-CD1 3.85Å; L309-L352 HydrophobicContact CD1-CD2 4.16Å; L348-L352 HydrophobicContact CD1-CD1 4.28Å; L348-L352 HydrophobicContact CD1-CG 4.18Å; L348-L352 HydrophobicContact CG-CD1 4.09Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CB 3.46Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.27Å; L348-L352 PolarHBondContact O-N 3.24Å; Q349-L352 PolarHBondContact O-N 2.97Å; L352-Y355 PolarHBondContact O-N 3.26Å; L352-E356 WeakPolarHBondContact O-CG 3.39Å; L352-E356 PolarHBondContact O-N 3.26Å
353	T	92.4	Very high	88.7	Confident	53 Å²	53	49 Å²	49	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-42.5	174.6	-58.2	0	0	0	0	111.5	Q349 D350 L351 E356 K357	Q349-T353 WeakPolarHBondContact O-CB 3.44Å; Q349-T353 PolarHBondContact O-N 3.42Å; Q349-T353 PolarHBondContact O-OG1 3.44Å; D350-T353 WeakPolarHBondContact O-CB 3.36Å; D350-T353 PolarHBondContact O-N 3.11Å; L351-T353 VanDerWaalsContact C-N 3.27Å; L351-T353 PolarHBondContact O-N 3.34Å; T353-E356 PolarHBondContact O-N 3.21Å; T353-K357 WeakPolarHBondContact O-CG 3.48Å; T353-K357 PolarHBondContact O-N 2.69Å; T353-K357 VanDerWaalsContact O-N 3.13Å
354	E	91.7	Very high	87.7	Confident	24 Å²	24	49.6 Å²	49.6	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-35.8	175	-69.3	-55.4	128.7	0	0	112.1	D350 L351 E356 K357 N358 K367 L368 A371	D350-E354 PolarHBondContact O-N 2.86Å; L351-E354 PolarHBondContact O-N 3.15Å; E354-E356 VanDerWaalsContact C-N 3.34Å; E354-E356 PolarHBondContact O-N 3.45Å; E354-K357 PolarHBondContact O-N 2.89Å; E354-K357 IonicContact OE1-NZ 3.56Å; E354-K357 PolarHBondContact OE1-NZ 2.96Å; E354-N358 WeakPolarHBondContact O-CB 3.27Å; E354-N358 PolarHBondContact O-N 2.89Å; E354-N358 PolarHBondContact O-ND2 2.94Å; E354-K367 HydrophobicContact CG-CB 4.48Å; E354-K367 WeakPolarHBondContact OE2-CB 3.24Å; E354-L368 HydrophobicContact CB-CB 4.39Å; E354-L368 HydrophobicContact CB-CD1 3.9Å; E354-A371 HydrophobicContact CB-CB 4.47Å; E354-A371 HydrophobicContact CG-CB 4.24Å
355	Y	91.1	Very high	87	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-42	171.4	-85.5	-56.1	0	0	0	112.5	V293 F294 V295 Y300 L351 L352 K357 N358 A359 L368	V293-Y355 WeakPolarHBondContact O-CE2 3.33Å; V293-Y355 PolarHBondContact O-OH 3.32Å; F294-Y355 WeakPolarHBondContact CA-OH 3.4Å; V295-Y355 HydrophobicContact CB-CE1 4.17Å; V295-Y355 PolarHBondContact N-OH 3.42Å; V295-Y355 VanDerWaalsContact O-CE1 3.24Å; V295-Y355 WeakPolarHBondContact O-CE1 3.35Å; V295-Y355 PolarHBondContact O-OH 2.98Å; Y300-Y355 HydrophobicContact CD2-CD1 4.22Å; Y300-Y355 HydrophobicContact CD2-CD2 4.26Å; Y300-Y355 AromaticContact CD2-CG 3.81Å; Y300-Y355 HydrophobicContact CD2-CG 3.81Å; Y300-Y355 HydrophobicContact CE2-CD2 4.18Å; Y300-Y355 HydrophobicContact CE2-CG 4.01Å; Y300-Y355 HydrophobicContact CG-CG 4.33Å; L351-Y355 HydrophobicContact CD1-CD2 3.89Å; L351-Y355 HydrophobicContact CD1-CE2 3.54Å; L351-Y355 HydrophobicContact CD2-CD2 4.49Å; L351-Y355 HydrophobicContact CD2-CE2 3.86Å; L351-Y355 HydrophobicContact CG-CD2 3.77Å; L351-Y355 HydrophobicContact CG-CE2 3.55Å; L351-Y355 WeakPolarHBondContact O-CD2 3.34Å; L351-Y355 PolarHBondContact O-N 2.84Å; L352-Y355 PolarHBondContact O-N 3.26Å; Y355-K357 VanDerWaalsContact C-N 3.32Å; Y355-K357 PolarHBondContact O-N 3.3Å; Y355-N358 CarbonylContact O-C 3.43Å; Y355-N358 PolarHBondContact O-N 2.89Å; Y355-N358 VanDerWaalsContact O-N 3.16Å; Y355-A359 PolarHBondContact O-N 2.77Å; Y355-L368 HydrophobicContact CD1-CD1 3.79Å; Y355-L368 HydrophobicContact CD1-CD2 4.17Å; Y355-L368 HydrophobicContact CD2-CD1 4.36Å; Y355-L368 HydrophobicContact CE1-CD1 3.88Å; Y355-L368 HydrophobicContact CE1-CD2 4.09Å; Y355-L368 HydrophobicContact CE2-CD1 4.47Å; Y355-L368 HydrophobicContact CG-CD1 4.02Å
356	E	89.3	Confident	86.2	Confident	77 Å²	77	52.8 Å²	52.8	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-39.4	176.8	-75.4	173.8	175.7	0	0	111.9	Y300 S302 R306 L352 T353 E354 N358 A359	Y300-E356 HydrophobicContact CE1-CG 3.56Å; S302-E356 PolarHBondContact OG-OE1 3.44Å; R306-E356 IonicContact CZ-OE1 3.84Å; R306-E356 IonicContact NH1-OE1 3.23Å; R306-E356 PolarHBondContact NH1-OE1 3.48Å; R306-E356 IonicContact NH1-OE2 3.49Å; L352-E356 WeakPolarHBondContact O-CG 3.39Å; L352-E356 PolarHBondContact O-N 3.26Å; T353-E356 PolarHBondContact O-N 3.21Å; E354-E356 VanDerWaalsContact C-N 3.34Å; E354-E356 PolarHBondContact O-N 3.45Å; E356-N358 VanDerWaalsContact C-N 3.32Å; E356-N358 PolarHBondContact O-N 2.76Å; E356-A359 WeakPolarHBondContact O-CB 3.32Å; E356-A359 PolarHBondContact O-N 2.81Å
357	K	88.4	Confident	85.7	Confident	137 Å²	137	54.3 Å²	54.3	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-68.7	-29.2	174.4	-68.1	172.4	-168.8	164.2	0	113.4	T353 E354 Y355	T353-K357 WeakPolarHBondContact O-CG 3.48Å; T353-K357 PolarHBondContact O-N 2.69Å; T353-K357 VanDerWaalsContact O-N 3.13Å; E354-K357 PolarHBondContact O-N 2.89Å; E354-K357 IonicContact OE1-NZ 3.56Å; E354-K357 PolarHBondContact OE1-NZ 2.96Å; Y355-K357 VanDerWaalsContact C-N 3.32Å; Y355-K357 PolarHBondContact O-N 3.3Å
358	N	85.9	Confident	85.4	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.053	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.3	-179.3	-72.6	-103.2	0	0	0	112.5	P297 E354 Y355 E356 G360 A361 S365 L368	P297-N358 HydrophobicContact CB-CB 4.27Å; E354-N358 WeakPolarHBondContact O-CB 3.27Å; E354-N358 PolarHBondContact O-N 2.89Å; E354-N358 PolarHBondContact O-ND2 2.94Å; Y355-N358 CarbonylContact O-C 3.43Å; Y355-N358 PolarHBondContact O-N 2.89Å; Y355-N358 VanDerWaalsContact O-N 3.16Å; E356-N358 VanDerWaalsContact C-N 3.32Å; E356-N358 PolarHBondContact O-N 2.76Å; N358-G360 PolarHBondContact O-N 2.96Å; N358-A361 VanDerWaalsContact O-CB 3.26Å; N358-A361 WeakPolarHBondContact O-CB 3.41Å; N358-A361 PolarHBondContact O-N 3.42Å; N358-S365 PolarHBondContact ND2-OG 3Å; N358-S365 VanDerWaalsContact OD1-CB 3.25Å; N358-S365 WeakPolarHBondContact OD1-CB 3.42Å; N358-S365 PolarHBondContact OD1-N 3.17Å; N358-S365 PolarHBondContact OD1-OG 3.26Å; N358-L368 HydrophobicContact CB-CD2 4.15Å
359	A	81.4	Confident	84.8	Confident	54 Å²	54	54.7 Å²	54.7	45%	0.446	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	118.6	-178.8	0	0	0	0	0	110.6	Y300 Y355 E356 A361	Y300-A359 HydrophobicContact CD1-CB 4.49Å; Y355-A359 PolarHBondContact O-N 2.77Å; E356-A359 WeakPolarHBondContact O-CB 3.32Å; E356-A359 PolarHBondContact O-N 2.81Å; A359-A361 VanDerWaalsContact C-N 3.28Å; A359-A361 PolarHBondContact O-N 2.94Å
360	G	75.6	Confident	84.3	Confident	66 Å²	66	56.3 Å²	56.3	68%	0.68	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	2.3	-176.2	0	0	0	0	0	115.4	N358	N358-G360 PolarHBondContact O-N 2.96Å
361	A	75.3	Confident	84.1	Confident	39 Å²	39	53.3 Å²	53.3	32%	0.322	29%	0.292	S	S	.	.			trans	-68.2	139.3	173	0	0	0	0	0	111	N358 A359 E363	N358-A361 VanDerWaalsContact O-CB 3.26Å; N358-A361 WeakPolarHBondContact O-CB 3.41Å; N358-A361 PolarHBondContact O-N 3.42Å; A359-A361 VanDerWaalsContact C-N 3.28Å; A359-A361 PolarHBondContact O-N 2.94Å; A361-E363 VanDerWaalsContact C-N 3.34Å
362	K	67.9	Low	83.8	Confident	155 Å²	155	54 Å²	54	67%	0.674	30%	0.296	S	S	*	.	S	Bend	trans	-68.7	-32.2	176.5	-74	-169.5	175.6	-168.6	0	112.5	E771	K362-E771 IonicContact NZ-OE1 3.86Å; K362-E771 PolarHBondContact NZ-OE1 3.49Å
363	E	68	Low	83.4	Confident	81 Å²	81	54.9 Å²	54.9	38%	0.379	30%	0.303	S	S	.	.	S	Bend	trans	-129.4	136.4	-179.5	-67.1	-177	-174.7	0	0	110.1	A361 R782	A361-E363 VanDerWaalsContact C-N 3.34Å; E363-R782 IonicContact OE1-CZ 3.6Å; E363-R782 VanDerWaalsContact OE1-CZ 3.31Å; E363-R782 IonicContact OE1-NH1 3Å; E363-R782 PolarHBondContact OE1-NH1 3.4Å; E363-R782 IonicContact OE1-NH2 2.72Å; E363-R782 PolarHBondContact OE1-NH2 3.11Å; E363-R782 IonicContact OE2-NH1 2.66Å
364	P	73.6	Confident	83.2	Confident	37 Å²	37	54.7 Å²	54.7	24%	0.24	30%	0.304	C	S	.	.			trans	-68.5	137.6	176.9	27.5	-32.5	0	0	0	111.2	P297 L368	P297-P364 HydrophobicContact CG-CB 4.29Å; P364-L368 HydrophobicContact CB-CD2 3.99Å
365	S	82.2	Confident	83.3	Confident	39 Å²	39	53.5 Å²	53.5	27%	0.273	30%	0.298	S	S	.	.			trans	-69.6	153.1	173.5	67.6	0	0	0	0	112.6	N358 K367 L368 D369	N358-S365 PolarHBondContact ND2-OG 3Å; N358-S365 VanDerWaalsContact OD1-CB 3.25Å; N358-S365 WeakPolarHBondContact OD1-CB 3.42Å; N358-S365 PolarHBondContact OD1-N 3.17Å; N358-S365 PolarHBondContact OD1-OG 3.26Å; S365-K367 PolarHBondContact O-N 2.96Å; S365-L368 WeakPolarHBondContact O-CB 3.37Å; S365-L368 PolarHBondContact O-N 3.2Å; S365-L368 VanDerWaalsContact O-N 3.1Å; S365-L368 PolarHBondContact OG-N 3.36Å; S365-D369 PolarHBondContact O-N 3.28Å
366	E	80.5	Confident	83	Confident	98 Å²	98	55.1 Å²	55.1	46%	0.458	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-30.5	173.5	-177.3	162.5	-127.5	0	0	112.6	D369 L370 K823	E366-D369 PolarHBondContact O-N 3Å; E366-L370 HydrophobicContact CG-CD1 4.37Å; E366-L370 WeakPolarHBondContact O-CG 3.49Å; E366-L370 PolarHBondContact O-N 3.48Å; E366-K823 IonicContact OE1-NZ 3.73Å; E366-K823 PolarHBondContact OE1-NZ 3.05Å
367	K	87	Confident	82.9	Confident	141 Å²	141	55.8 Å²	55.8	61%	0.613	32%	0.318	S	S	*	.	H	α-helix	trans	-64.5	-38.3	174.1	-67.6	-174	178.7	-177.3	0	112.6	E354 S365 D369 L370 A371	E354-K367 HydrophobicContact CG-CB 4.48Å; E354-K367 WeakPolarHBondContact OE2-CB 3.24Å; S365-K367 PolarHBondContact O-N 2.96Å; K367-D369 VanDerWaalsContact C-N 3.32Å; K367-L370 PolarHBondContact O-N 2.88Å; K367-A371 WeakPolarHBondContact O-CB 3.4Å; K367-A371 PolarHBondContact O-N 3.07Å
368	L	87.7	Confident	83.1	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-40.6	174.3	179.3	63.9	0	0	0	111.1	P297 L351 E354 Y355 N358 P364 S365 A371 L372	P297-L368 HydrophobicContact CG-CD2 3.72Å; L351-L368 HydrophobicContact CD1-CD1 3.69Å; E354-L368 HydrophobicContact CB-CB 4.39Å; E354-L368 HydrophobicContact CB-CD1 3.9Å; Y355-L368 HydrophobicContact CD1-CD1 3.79Å; Y355-L368 HydrophobicContact CD1-CD2 4.17Å; Y355-L368 HydrophobicContact CD2-CD1 4.36Å; Y355-L368 HydrophobicContact CE1-CD1 3.88Å; Y355-L368 HydrophobicContact CE1-CD2 4.09Å; Y355-L368 HydrophobicContact CE2-CD1 4.47Å; Y355-L368 HydrophobicContact CG-CD1 4.02Å; N358-L368 HydrophobicContact CB-CD2 4.15Å; P364-L368 HydrophobicContact CB-CD2 3.99Å; S365-L368 WeakPolarHBondContact O-CB 3.37Å; S365-L368 PolarHBondContact O-N 3.2Å; S365-L368 VanDerWaalsContact O-N 3.1Å; S365-L368 PolarHBondContact OG-N 3.36Å; L368-A371 PolarHBondContact O-N 2.83Å; L368-L372 HydrophobicContact CG-CD1 4.43Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.42Å
369	D	83.8	Confident	83.3	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.048	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-37.9	177.9	-71.3	-10.8	0	0	0	112.1	S365 E366 K367 L372 A373 V690 V693 K697	S365-D369 PolarHBondContact O-N 3.28Å; E366-D369 PolarHBondContact O-N 3Å; K367-D369 VanDerWaalsContact C-N 3.32Å; D369-L372 PolarHBondContact O-N 3.09Å; D369-A373 WeakPolarHBondContact O-CB 3.25Å; D369-A373 PolarHBondContact O-N 3.15Å; D369-V690 HydrophobicContact CB-CG1 3.98Å; D369-V693 HydrophobicContact CB-CG1 4.3Å; D369-K697 VanDerWaalsContact CG-NZ 3.31Å; D369-K697 IonicContact OD1-NZ 2.69Å; D369-K697 PolarHBondContact OD1-NZ 2.89Å; D369-K697 IonicContact OD2-NZ 2.7Å; D369-K697 PolarHBondContact OD2-NZ 3.26Å
370	L	86.5	Confident	83.7	Confident	85 Å²	85	54.6 Å²	54.6	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-42.7	171.3	-74.7	164.9	0	0	0	112.2	E366 K367 A373 S374 V690	E366-L370 HydrophobicContact CG-CD1 4.37Å; E366-L370 WeakPolarHBondContact O-CG 3.49Å; E366-L370 PolarHBondContact O-N 3.48Å; K367-L370 PolarHBondContact O-N 2.88Å; L370-A373 PolarHBondContact O-N 3.33Å; L370-S374 WeakPolarHBondContact O-CB 3.32Å; L370-S374 PolarHBondContact O-N 3.45Å; L370-V690 HydrophobicContact CD2-CG2 3.4Å; L370-V690 VanDerWaalsContact CD2-CG2 3.4Å; L370-V690 HydrophobicContact CG-CG2 4.09Å
371	A	90.2	Very high	84.3	Confident	12 Å²	12	52.5 Å²	52.5	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-39.2	177.5	0	0	0	0	0	112	L351 E354 K367 L368 S374 V375	L351-A371 HydrophobicContact CB-CB 4.17Å; L351-A371 HydrophobicContact CD1-CB 3.97Å; E354-A371 HydrophobicContact CB-CB 4.47Å; E354-A371 HydrophobicContact CG-CB 4.24Å; K367-A371 WeakPolarHBondContact O-CB 3.4Å; K367-A371 PolarHBondContact O-N 3.07Å; L368-A371 PolarHBondContact O-N 2.83Å; A371-S374 WeakPolarHBondContact O-CB 3.42Å; A371-S374 PolarHBondContact O-N 3.48Å; A371-V375 PolarHBondContact O-N 3.33Å
372	L	88.8	Confident	85.2	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-45.6	172.9	-80.9	169.8	0	0	0	112	V293 F294 L351 L368 D369 S374 V375 G376 V693	V293-L372 HydrophobicContact CG1-CD2 3.89Å; F294-L372 HydrophobicContact CD2-CD1 4.31Å; L351-L372 HydrophobicContact CD1-CB 4.49Å; L351-L372 HydrophobicContact CD1-CD2 3.73Å; L351-L372 HydrophobicContact CD1-CG 3.66Å; L351-L372 HydrophobicContact CD2-CD2 3.9Å; L351-L372 HydrophobicContact CG-CD2 4.49Å; L368-L372 HydrophobicContact CG-CD1 4.43Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.42Å; D369-L372 PolarHBondContact O-N 3.09Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.42Å; L372-V375 PolarHBondContact O-N 2.83Å; L372-G376 PolarHBondContact O-N 2.69Å; L372-V693 HydrophobicContact CB-CG1 3.96Å; L372-V693 HydrophobicContact CB-CG2 4.06Å; L372-V693 HydrophobicContact CD1-CG1 3.8Å
373	A	84	Confident	86.4	Confident	18 Å²	18	45 Å²	45	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.1	0	0	0	0	0	111.1	D369 L370 G376 H377 D689 V693	D369-A373 WeakPolarHBondContact O-CB 3.25Å; D369-A373 PolarHBondContact O-N 3.15Å; L370-A373 PolarHBondContact O-N 3.33Å; A373-G376 PolarHBondContact O-N 3.01Å; A373-H377 WeakPolarHBondContact O-CB 3.31Å; A373-H377 PolarHBondContact O-N 3.08Å; A373-D689 HydrophobicContact CB-CB 4.33Å; A373-V693 HydrophobicContact CB-CG2 3.82Å
374	S	88.9	Confident	87.4	Confident	48 Å²	48	41.4 Å²	41.4	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-58.4	-51	176.4	-176.6	0	0	0	0	111.8	L370 A371 L372 G376 H377 R378	L370-S374 WeakPolarHBondContact O-CB 3.32Å; L370-S374 PolarHBondContact O-N 3.45Å; A371-S374 WeakPolarHBondContact O-CB 3.42Å; A371-S374 PolarHBondContact O-N 3.48Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.42Å; S374-G376 VanDerWaalsContact C-N 3.34Å; S374-G376 PolarHBondContact O-N 3.15Å; S374-H377 PolarHBondContact O-N 3.36Å; S374-R378 VanDerWaalsContact O-CG 3.23Å; S374-R378 WeakPolarHBondContact O-CG 3.46Å; S374-R378 PolarHBondContact O-N 2.91Å
375	V	92.3	Very high	88.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-46.1	176.7	175.1	0	0	0	0	111.1	F289 V293 A347 L351 A371 L372 H377 R378 T379	F289-V375 HydrophobicContact CE1-CG1 3.78Å; F289-V375 HydrophobicContact CZ-CG1 4.18Å; V293-V375 HydrophobicContact CG1-CB 4.2Å; V293-V375 HydrophobicContact CG1-CG1 3.77Å; V293-V375 HydrophobicContact CG2-CG1 3.99Å; A347-V375 HydrophobicContact CB-CG2 3.72Å; A347-V375 VanDerWaalsContact O-CG2 3.27Å; A347-V375 WeakPolarHBondContact O-CG2 3.37Å; L351-V375 HydrophobicContact CB-CG2 3.98Å; L351-V375 HydrophobicContact CD2-CB 4.48Å; L351-V375 HydrophobicContact CD2-CG2 3.88Å; A371-V375 PolarHBondContact O-N 3.33Å; L372-V375 PolarHBondContact O-N 2.83Å; V375-H377 VanDerWaalsContact C-N 3.34Å; V375-H377 PolarHBondContact O-N 3.35Å; V375-R378 PolarHBondContact O-N 2.84Å; V375-T379 PolarHBondContact O-N 3.09Å; V375-T379 PolarHBondContact O-OG1 3.26Å
376	G	86.6	Confident	88.9	Confident	34 Å²	34	38.3 Å²	38.3	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-60.3	-41.5	178.6	0	0	0	0	0	113.3	L372 A373 S374 K380	L372-G376 PolarHBondContact O-N 2.69Å; A373-G376 PolarHBondContact O-N 3.01Å; S374-G376 VanDerWaalsContact C-N 3.34Å; S374-G376 PolarHBondContact O-N 3.15Å; G376-K380 WeakPolarHBondContact O-CB 3.2Å; G376-K380 PolarHBondContact O-N 3.14Å
377	H	86.3	Confident	89.5	Confident	92 Å²	92	36 Å²	36	43%	0.426	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-50.5	175.6	-173.8	-70.6	0	0	0	111.2	A373 S374 V375 T379 K380 D381	A373-H377 WeakPolarHBondContact O-CB 3.31Å; A373-H377 PolarHBondContact O-N 3.08Å; S374-H377 PolarHBondContact O-N 3.36Å; V375-H377 VanDerWaalsContact C-N 3.34Å; V375-H377 PolarHBondContact O-N 3.35Å; H377-T379 PolarHBondContact O-N 3.43Å; H377-K380 WeakPolarHBondContact O-CA 3.35Å; H377-K380 VanDerWaalsContact O-CB 3.29Å; H377-K380 WeakPolarHBondContact O-CB 3.28Å; H377-K380 PolarHBondContact O-N 3.48Å; H377-K380 VanDerWaalsContact O-N 3.08Å; H377-D381 IonicContact CE1-OD1 3.54Å; H377-D381 IonicContact CE1-OD2 2.76Å; H377-D381 PolarHBondContact CE1-OD2 2.84Å; H377-D381 IonicContact ND1-OD2 3.87Å; H377-D381 PolarHBondContact ND1-OD2 3.3Å; H377-D381 PolarHBondContact O-N 3.23Å
378	R	92.5	Very high	89.7	Confident	92 Å²	92	30.4 Å²	30.4	35%	0.347	16%	0.155	S	C	.	.	H	α-helix	trans	-62.1	-41.3	-179.6	-61.9	-64	178.6	-172.6	-1.8	112.4	E340 A343 V344 A347 S374 V375 K380 D381 L382	E340-R378 WeakPolarHBondContact OE1-CA 3.32Å; E340-R378 VanDerWaalsContact OE1-CB 3.29Å; E340-R378 WeakPolarHBondContact OE1-CB 3.3Å; E340-R378 WeakPolarHBondContact OE1-CD 3.34Å; E340-R378 IonicContact OE1-NH1 3.59Å; E340-R378 IonicContact OE2-NH1 3.79Å; A343-R378 HydrophobicContact CB-CG 4.47Å; V344-R378 HydrophobicContact CB-CB 4.39Å; V344-R378 HydrophobicContact CG2-CB 3.61Å; A347-R378 HydrophobicContact CB-CG 4.16Å; S374-R378 VanDerWaalsContact O-CG 3.23Å; S374-R378 WeakPolarHBondContact O-CG 3.46Å; S374-R378 PolarHBondContact O-N 2.91Å; V375-R378 PolarHBondContact O-N 2.84Å; R378-K380 VanDerWaalsContact C-N 3.3Å; R378-K380 PolarHBondContact O-N 2.84Å; R378-D381 PolarHBondContact O-N 3.34Å; R378-L382 WeakPolarHBondContact O-CB 3.31Å; R378-L382 PolarHBondContact O-N 3.38Å
379	T	91.2	Very high	90	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-34.4	175.1	-51.6	0	0	0	0	111.9	L286 F289 D290 V375 H377 R383	L286-T379 HydrophobicContact CD2-CG2 3.68Å; F289-T379 HydrophobicContact CD1-CG2 4.21Å; D290-T379 WeakPolarHBondContact OD1-CB 3.48Å; D290-T379 WeakPolarHBondContact OD1-CG2 3.49Å; V375-T379 PolarHBondContact O-N 3.09Å; V375-T379 PolarHBondContact O-OG1 3.26Å; H377-T379 PolarHBondContact O-N 3.43Å; T379-R383 VanDerWaalsContact O-CB 3.29Å; T379-R383 WeakPolarHBondContact O-CB 3.42Å; T379-R383 PolarHBondContact O-N 3.38Å
380	K	88.3	Confident	90.5	Very high	82 Å²	82	30 Å²	30	36%	0.357	15%	0.154	S	C	.	.	H	α-helix	trans	-65.3	-46	175.2	-161.7	-168.1	-164.8	-140.3	0	111.2	G376 H377 R378 R383 R384 D643	G376-K380 WeakPolarHBondContact O-CB 3.2Å; G376-K380 PolarHBondContact O-N 3.14Å; H377-K380 WeakPolarHBondContact O-CA 3.35Å; H377-K380 VanDerWaalsContact O-CB 3.29Å; H377-K380 WeakPolarHBondContact O-CB 3.28Å; H377-K380 PolarHBondContact O-N 3.48Å; H377-K380 VanDerWaalsContact O-N 3.08Å; R378-K380 VanDerWaalsContact C-N 3.3Å; R378-K380 PolarHBondContact O-N 2.84Å; K380-R383 WeakPolarHBondContact O-CB 3.35Å; K380-R383 PolarHBondContact O-N 2.74Å; K380-R384 WeakPolarHBondContact O-CB 3.4Å; K380-R384 PolarHBondContact O-N 3.1Å; K380-D643 WeakPolarHBondContact CE-OD1 3.22Å; K380-D643 IonicContact NZ-OD1 3.74Å; K380-D643 PolarHBondContact NZ-OD1 2.88Å
381	D	89.2	Confident	90.9	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-44.2	177.6	-68.8	-22.2	0	0	0	111.7	E340 H377 R378 R383 R384 H385	E340-D381 HydrophobicContact CG-CB 3.9Å; H377-D381 IonicContact CE1-OD1 3.54Å; H377-D381 IonicContact CE1-OD2 2.76Å; H377-D381 PolarHBondContact CE1-OD2 2.84Å; H377-D381 IonicContact ND1-OD2 3.87Å; H377-D381 PolarHBondContact ND1-OD2 3.3Å; H377-D381 PolarHBondContact O-N 3.23Å; R378-D381 PolarHBondContact O-N 3.34Å; D381-R383 VanDerWaalsContact C-N 3.35Å; D381-R383 PolarHBondContact O-N 2.7Å; D381-R384 WeakPolarHBondContact O-CB 3.43Å; D381-R384 PolarHBondContact O-N 2.92Å; D381-R384 VanDerWaalsContact O-N 3.17Å; D381-H385 PolarHBondContact O-CD2 2.97Å; D381-H385 PolarHBondContact O-N 3.44Å
382	L	94	Very high	91.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-50	174.6	178.5	57.4	0	0	0	110.6	L286 I316 I337 E340 V344 R378 R384 H385 L386	L286-L382 HydrophobicContact CD2-CD2 4.44Å; I316-L382 HydrophobicContact CG2-CD2 3.94Å; I337-L382 HydrophobicContact CG2-CD1 4.23Å; E340-L382 HydrophobicContact CB-CD1 4.47Å; E340-L382 HydrophobicContact CG-CB 3.88Å; V344-L382 HydrophobicContact CG2-CB 4.28Å; V344-L382 HydrophobicContact CG2-CD2 4.2Å; R378-L382 WeakPolarHBondContact O-CB 3.31Å; R378-L382 PolarHBondContact O-N 3.38Å; L382-R384 PolarHBondContact O-N 2.88Å; L382-H385 PolarHBondContact O-N 3.05Å; L382-L386 HydrophobicContact CD1-CD1 4.1Å; L382-L386 HydrophobicContact CD1-CG 4.13Å; L382-L386 HydrophobicContact CG-CD1 3.96Å; L382-L386 HydrophobicContact CG-CG 4.44Å; L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 VanDerWaalsContact O-CG 3.23Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 2.92Å
383	R	92.8	Very high	91.3	Very high	36 Å²	36	24.9 Å²	24.9	14%	0.136	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-40.7	178.9	-175.8	-174.9	-81.4	105.6	-17.2	111.2	L286 N287 D290 T379 K380 D381 R387 M444	L286-R383 VanDerWaalsContact CB-NH2 3.34Å; L286-R383 HydrophobicContact CD1-CB 4.09Å; L286-R383 HydrophobicContact CD1-CG 4.01Å; N287-R383 PolarHBondContact OD1-NH2 2.98Å; D290-R383 IonicContact OD2-CZ 3.63Å; D290-R383 IonicContact OD2-NH1 3.78Å; D290-R383 PolarHBondContact OD2-NH1 3.43Å; D290-R383 VanDerWaalsContact OD2-NH1 3.13Å; D290-R383 IonicContact OD2-NH2 2.7Å; D290-R383 PolarHBondContact OD2-NH2 2.92Å; T379-R383 VanDerWaalsContact O-CB 3.29Å; T379-R383 WeakPolarHBondContact O-CB 3.42Å; T379-R383 PolarHBondContact O-N 3.38Å; K380-R383 WeakPolarHBondContact O-CB 3.35Å; K380-R383 PolarHBondContact O-N 2.74Å; D381-R383 VanDerWaalsContact C-N 3.35Å; D381-R383 PolarHBondContact O-N 2.7Å; R383-R387 WeakPolarHBondContact O-CG 3.26Å; R383-R387 PolarHBondContact O-N 3.36Å; R383-M444 HydrophobicContact CG-CE 4.01Å
384	R	89.4	Confident	91.8	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-68.9	-47	178.1	178.5	-163.2	171.6	-153.5	-26.9	112.6	K380 D381 L382 L386 R387 R388 D643 D645	K380-R384 WeakPolarHBondContact O-CB 3.4Å; K380-R384 PolarHBondContact O-N 3.1Å; D381-R384 WeakPolarHBondContact O-CB 3.43Å; D381-R384 PolarHBondContact O-N 2.92Å; D381-R384 VanDerWaalsContact O-N 3.17Å; L382-R384 PolarHBondContact O-N 2.88Å; R384-L386 PolarHBondContact O-N 3.31Å; R384-R387 PolarHBondContact O-N 2.85Å; R384-R388 VanDerWaalsContact NH2-NH2 3.11Å; R384-R388 WeakPolarHBondContact O-CG 3.22Å; R384-R388 PolarHBondContact O-N 3.06Å; R384-D643 HydrophobicContact CB-CB 4.49Å; R384-D643 WeakPolarHBondContact CD-O 3.43Å; R384-D643 HydrophobicContact CG-CB 4.01Å; R384-D643 PolarHBondContact NE-O 3.38Å; R384-D645 VanDerWaalsContact CZ-CG 3.48Å; R384-D645 IonicContact CZ-OD1 2.56Å; R384-D645 IonicContact CZ-OD2 2.89Å; R384-D645 IonicContact NH1-OD1 2.74Å; R384-D645 PolarHBondContact NH1-OD1 3.39Å; R384-D645 IonicContact NH1-OD2 3.24Å; R384-D645 IonicContact NH2-OD1 2.79Å; R384-D645 PolarHBondContact NH2-OD1 2.98Å; R384-D645 IonicContact NH2-OD2 3.36Å; R384-D645 PolarHBondContact NH2-OD2 2.95Å
385	H	93	Very high	91.9	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-37.9	175.3	-74.1	-47.6	0	0	0	111.8	I337 D381 L382 R388 A389 D645	I337-H385 HydrophobicContact CG1-CB 3.82Å; D381-H385 PolarHBondContact O-CD2 2.97Å; D381-H385 PolarHBondContact O-N 3.44Å; L382-H385 PolarHBondContact O-N 3.05Å; H385-R388 PolarHBondContact O-N 3.37Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 3.27Å; H385-D645 IonicContact CE1-OD2 2.93Å
386	L	93.8	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-46.8	174	-67.6	171	0	0	0	112.5	L282 L286 A320 I323 I337 L382 R384 R388 A389 V390 M444	L282-L386 HydrophobicContact CD2-CD1 4.08Å; L286-L386 HydrophobicContact CD1-CD1 4.36Å; A320-L386 HydrophobicContact CB-CD1 4.24Å; A320-L386 HydrophobicContact CB-CD2 3.7Å; I323-L386 HydrophobicContact CB-CD2 4.26Å; I323-L386 HydrophobicContact CD1-CD2 4.13Å; I323-L386 HydrophobicContact CG2-CD2 4.38Å; I337-L386 HydrophobicContact CD1-CD2 4.28Å; I337-L386 HydrophobicContact CG2-CD2 4.23Å; L382-L386 HydrophobicContact CD1-CD1 4.1Å; L382-L386 HydrophobicContact CD1-CG 4.13Å; L382-L386 HydrophobicContact CG-CD1 3.96Å; L382-L386 HydrophobicContact CG-CG 4.44Å; L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 VanDerWaalsContact O-CG 3.23Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 2.92Å; R384-L386 PolarHBondContact O-N 3.31Å; L386-R388 VanDerWaalsContact C-N 3.32Å; L386-R388 PolarHBondContact O-N 3.13Å; L386-A389 PolarHBondContact O-N 2.98Å; L386-V390 WeakPolarHBondContact O-CG2 3.44Å; L386-V390 PolarHBondContact O-N 3.16Å; L386-M444 HydrophobicContact CB-CE 3.69Å; L386-M444 HydrophobicContact CB-SD 4.08Å; L386-M444 HydrophobicContact CD1-CE 4.36Å; L386-M444 HydrophobicContact CD1-SD 4.41Å
387	R	92.3	Very high	92.2	Very high	48 Å²	48	23.1 Å²	23.1	18%	0.181	10%	0.103	C	C	.	.	H	α-helix	trans	-58.4	-44.8	175.3	-73.4	-167.1	-50	-97.1	0.6	111.7	R383 R384 A389 V390 I391 M444 D514 D643	R383-R387 WeakPolarHBondContact O-CG 3.26Å; R383-R387 PolarHBondContact O-N 3.36Å; R384-R387 PolarHBondContact O-N 2.85Å; R387-A389 VanDerWaalsContact C-N 3.34Å; R387-V390 WeakPolarHBondContact O-CB 3.35Å; R387-V390 PolarHBondContact O-N 3.48Å; R387-I391 WeakPolarHBondContact O-CG1 3.37Å; R387-I391 PolarHBondContact O-N 2.68Å; R387-M444 HydrophobicContact CG-CE 3.88Å; R387-D514 IonicContact CZ-OD2 2.68Å; R387-D514 IonicContact NE-OD2 2.85Å; R387-D514 PolarHBondContact NE-OD2 3.47Å; R387-D514 IonicContact NH2-OD2 3.15Å; R387-D514 PolarHBondContact NH2-OD2 2.95Å; R387-D643 IonicContact CZ-OD2 3.79Å; R387-D643 IonicContact NH1-OD2 2.87Å; R387-D643 IonicContact NH2-OD2 3.21Å; R387-D643 PolarHBondContact NH2-OD2 3.24Å
388	R	93.1	Very high	92.6	Very high	24 Å²	24	19.1 Å²	19.1	9%	0.091	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-36.9	177.8	-70.2	-179.1	178.6	-161	-0.5	112.3	R384 H385 L386 I391 D392 D514 V518 D643	R384-R388 VanDerWaalsContact NH2-NH2 3.11Å; R384-R388 WeakPolarHBondContact O-CG 3.22Å; R384-R388 PolarHBondContact O-N 3.06Å; H385-R388 PolarHBondContact O-N 3.37Å; L386-R388 VanDerWaalsContact C-N 3.32Å; L386-R388 PolarHBondContact O-N 3.13Å; R388-I391 CarbonylContact O-C 3.57Å; R388-I391 PolarHBondContact O-N 3.39Å; R388-D392 PolarHBondContact O-N 3.29Å; R388-D514 HydrophobicContact CG-CB 4Å; R388-D514 IonicContact CZ-OD1 2.69Å; R388-D514 IonicContact NE-OD1 3.53Å; R388-D514 PolarHBondContact NE-OD1 3.13Å; R388-D514 IonicContact NH2-OD1 3.38Å; R388-V518 HydrophobicContact CB-CG2 3.75Å; R388-V518 HydrophobicContact CG-CG2 3.92Å; R388-D643 PolarHBondContact NH2-O 3.49Å; R388-D643 VanDerWaalsContact NH2-O 3.09Å
389	A	94.2	Very high	92.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-47.4	173.6	0	0	0	0	0	111.3	I323 T329 R333 I337 H385 L386 R387 I391 D392 H393	I323-A389 HydrophobicContact CG2-CB 3.61Å; T329-A389 HydrophobicContact CG2-CB 4.34Å; R333-A389 VanDerWaalsContact CD-N 3.35Å; R333-A389 HydrophobicContact CG-CB 4.38Å; I337-A389 HydrophobicContact CD1-CB 3.82Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 3.27Å; L386-A389 PolarHBondContact O-N 2.98Å; R387-A389 VanDerWaalsContact C-N 3.34Å; A389-I391 PolarHBondContact O-N 3.33Å; A389-D392 WeakPolarHBondContact O-CA 3.37Å; A389-D392 VanDerWaalsContact O-CB 3.27Å; A389-D392 WeakPolarHBondContact O-CB 3.5Å; A389-D392 PolarHBondContact O-N 2.94Å; A389-H393 PolarHBondContact O-CD2 2.93Å; A389-H393 PolarHBondContact O-N 2.88Å
390	V	93.9	Very high	92.3	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.024	9%	0.092	C	C	.	.	H	α-helix	trans	-53.6	-42.4	172.8	172.6	0	0	0	0	111.3	I323 L386 R387 D392 H393 V394 M440 T441 M444	I323-V390 HydrophobicContact CD1-CG2 4.23Å; I323-V390 HydrophobicContact CG2-CG2 4.49Å; L386-V390 WeakPolarHBondContact O-CG2 3.44Å; L386-V390 PolarHBondContact O-N 3.16Å; R387-V390 WeakPolarHBondContact O-CB 3.35Å; R387-V390 PolarHBondContact O-N 3.48Å; V390-D392 VanDerWaalsContact C-N 3.33Å; V390-D392 PolarHBondContact O-N 3.26Å; V390-H393 WeakPolarHBondContact O-CB 3.48Å; V390-H393 PolarHBondContact O-N 3.46Å; V390-V394 WeakPolarHBondContact O-CG2 3.49Å; V390-V394 PolarHBondContact O-N 2.89Å; V390-M440 HydrophobicContact CG2-CG 3.94Å; V390-M440 HydrophobicContact CG2-SD 4.04Å; V390-T441 HydrophobicContact CG1-CG2 4.31Å; V390-T441 WeakPolarHBondContact CG1-OG1 3.48Å; V390-M444 HydrophobicContact CG2-CG 4.03Å
391	I	93.7	Very high	92.4	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.015	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-31.6	177.8	-67	171.3	0	0	0	112.1	R387 R388 A389 H393 V394 S395 I510 D514 F515 V518	R387-I391 WeakPolarHBondContact O-CG1 3.37Å; R387-I391 PolarHBondContact O-N 2.68Å; R388-I391 CarbonylContact O-C 3.57Å; R388-I391 PolarHBondContact O-N 3.39Å; A389-I391 PolarHBondContact O-N 3.33Å; I391-H393 VanDerWaalsContact C-N 3.27Å; I391-H393 PolarHBondContact O-N 3.06Å; I391-V394 PolarHBondContact O-N 2.97Å; I391-S395 WeakPolarHBondContact O-CB 3.18Å; I391-S395 PolarHBondContact O-N 3.16Å; I391-I510 HydrophobicContact CD1-CB 4.11Å; I391-I510 HydrophobicContact CD1-CG2 4.37Å; I391-I510 HydrophobicContact CG1-CB 4.13Å; I391-I510 HydrophobicContact CG1-CG2 3.86Å; I391-D514 HydrophobicContact CD1-CB 3.4Å; I391-F515 HydrophobicContact CD1-CB 4.43Å; I391-F515 HydrophobicContact CG2-CD2 4.17Å; I391-V518 HydrophobicContact CB-CB 4.39Å; I391-V518 HydrophobicContact CB-CG1 4.4Å; I391-V518 HydrophobicContact CB-CG2 4.16Å; I391-V518 HydrophobicContact CG2-CB 3.61Å; I391-V518 HydrophobicContact CG2-CG1 3.7Å; I391-V518 HydrophobicContact CG2-CG2 3.91Å
392	D	94.1	Very high	92.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.6	-48.2	170.7	-65.1	-8.8	0	0	0	110.1	R333 R388 A389 V390 V394 S395 D396 V518 H522	R333-D392 VanDerWaalsContact CD-OD2 3.3Å; R333-D392 WeakPolarHBondContact CD-OD2 3.27Å; R333-D392 IonicContact CZ-OD1 2.74Å; R333-D392 VanDerWaalsContact CZ-OD1 3.23Å; R333-D392 IonicContact CZ-OD2 3.02Å; R333-D392 IonicContact NE-OD1 2.68Å; R333-D392 PolarHBondContact NE-OD1 2.99Å; R333-D392 IonicContact NE-OD2 3.66Å; R333-D392 PolarHBondContact NE-OD2 3.19Å; R333-D392 IonicContact NH2-OD1 3.1Å; R333-D392 PolarHBondContact NH2-OD1 2.95Å; R333-D392 IonicContact NH2-OD2 2.7Å; R388-D392 PolarHBondContact O-N 3.29Å; A389-D392 WeakPolarHBondContact O-CA 3.37Å; A389-D392 VanDerWaalsContact O-CB 3.27Å; A389-D392 WeakPolarHBondContact O-CB 3.5Å; A389-D392 PolarHBondContact O-N 2.94Å; V390-D392 VanDerWaalsContact C-N 3.33Å; V390-D392 PolarHBondContact O-N 3.26Å; D392-V394 VanDerWaalsContact C-N 3.35Å; D392-V394 PolarHBondContact O-N 2.96Å; D392-S395 PolarHBondContact O-N 3.33Å; D392-D396 PolarHBondContact O-N 3.34Å; D392-V518 WeakPolarHBondContact OD1-CG1 3.37Å; D392-H522 IonicContact OD1-CE1 3.32Å; D392-H522 IonicContact OD1-NE2 2.91Å; D392-H522 PolarHBondContact OD1-NE2 3.24Å; D392-H522 VanDerWaalsContact OD1-NE2 3.14Å
393	H	93.9	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-42.2	178.4	-70.7	-88.5	0	0	0	112.7	S326 N328 T329 A389 V390 I391 S397 K433 V437	S326-H393 VanDerWaalsContact CB-CE1 3.49Å; S326-H393 WeakPolarHBondContact CB-CE1 2.8Å; S326-H393 PolarHBondContact OG-CE1 3.08Å; S326-H393 PolarHBondContact OG-NE2 2.98Å; N328-H393 WeakPolarHBondContact CB-ND1 3.21Å; N328-H393 PolarHBondContact N-CE1 3.36Å; N328-H393 VanDerWaalsContact N-CE1 3.34Å; T329-H393 PolarHBondContact N-NE2 3.2Å; T329-H393 PolarHBondContact OG1-NE2 3.45Å; A389-H393 PolarHBondContact O-CD2 2.93Å; A389-H393 PolarHBondContact O-N 2.88Å; V390-H393 WeakPolarHBondContact O-CB 3.48Å; V390-H393 PolarHBondContact O-N 3.46Å; I391-H393 VanDerWaalsContact C-N 3.27Å; I391-H393 PolarHBondContact O-N 3.06Å; H393-S397 WeakPolarHBondContact O-CB 3.34Å; H393-S397 PolarHBondContact O-N 3.03Å; H393-S397 PolarHBondContact O-OG 3.46Å; H393-K433 PolarHBondContact ND1-NZ 3.19Å; H393-V437 HydrophobicContact CB-CB 4.38Å; H393-V437 HydrophobicContact CB-CG1 3.76Å; H393-V437 HydrophobicContact CB-CG2 3.73Å
394	V	94	Very high	92.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-49.2	176.7	174.6	0	0	0	0	110	V390 I391 D392 D396 F398 V437 V506	V390-V394 WeakPolarHBondContact O-CG2 3.49Å; V390-V394 PolarHBondContact O-N 2.89Å; I391-V394 PolarHBondContact O-N 2.97Å; D392-V394 VanDerWaalsContact C-N 3.35Å; D392-V394 PolarHBondContact O-N 2.96Å; V394-D396 VanDerWaalsContact C-N 3.26Å; V394-D396 PolarHBondContact O-N 3.48Å; V394-F398 HydrophobicContact CG1-CD2 4.22Å; V394-F398 VanDerWaalsContact O-CB 3.32Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 PolarHBondContact O-N 3.44Å; V394-V437 HydrophobicContact CB-CG1 4.41Å; V394-V437 HydrophobicContact CG2-CG1 3.68Å; V394-V506 HydrophobicContact CB-CG1 4.39Å; V394-V506 HydrophobicContact CG1-CG1 3.8Å; V394-V506 HydrophobicContact CG2-CG1 3.6Å
395	S	92.2	Very high	93.1	Very high	11 Å²	11	24 Å²	24	8%	0.077	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-35.3	-177.8	-164.4	0	0	0	0	111.8	I391 D392 L399 H522 R552	I391-S395 WeakPolarHBondContact O-CB 3.18Å; I391-S395 PolarHBondContact O-N 3.16Å; D392-S395 PolarHBondContact O-N 3.33Å; S395-L399 WeakPolarHBondContact O-CB 3.26Å; S395-H522 PolarHBondContact OG-ND1 3.36Å; S395-R552 VanDerWaalsContact C-NH1 3.31Å; S395-R552 PolarHBondContact O-NH1 3.48Å; S395-R552 PolarHBondContact OG-NH1 3.12Å
396	D	92.2	Very high	93.4	Very high	44 Å²	44	27.2 Å²	27.2	24%	0.235	14%	0.138	C	C	.	.	H	α-helix	trans	-87.3	-43.2	180	-64.9	-20.9	0	0	0	112.8	N328 R330 D392 V394 H522 R552	N328-D396 HydrophobicContact CB-CB 4.42Å; R330-D396 IonicContact CZ-OD2 2.83Å; R330-D396 IonicContact NH1-OD1 2.81Å; R330-D396 IonicContact NH1-OD2 3.93Å; R330-D396 PolarHBondContact NH1-OD2 3.33Å; R330-D396 IonicContact NH2-OD1 2.85Å; R330-D396 IonicContact NH2-OD2 2.95Å; D392-D396 PolarHBondContact O-N 3.34Å; V394-D396 VanDerWaalsContact C-N 3.26Å; V394-D396 PolarHBondContact O-N 3.48Å; D396-H522 IonicContact OD1-CE1 2.62Å; D396-H522 IonicContact OD1-ND1 3.99Å; D396-R552 IonicContact OD1-CZ 2.71Å; D396-R552 IonicContact OD1-NH1 3.61Å; D396-R552 PolarHBondContact OD1-NH1 2.8Å; D396-R552 IonicContact OD1-NH2 2.81Å; D396-R552 PolarHBondContact OD1-NH2 2.81Å
397	S	92.8	Very high	93.6	Very high	7 Å²	7	31 Å²	31	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-79.6	-30	-173.1	-48	0	0	0	0	113.3	N328 H393 H430 K433 L434 V437	N328-S397 PolarHBondContact ND2-OG 2.96Å; N328-S397 VanDerWaalsContact ND2-OG 3.13Å; H393-S397 WeakPolarHBondContact O-CB 3.34Å; H393-S397 PolarHBondContact O-N 3.03Å; H393-S397 PolarHBondContact O-OG 3.46Å; S397-H430 PolarHBondContact O-NE2 2.64Å; S397-K433 WeakPolarHBondContact OG-CE 3.42Å; S397-L434 VanDerWaalsContact O-CD2 3.28Å; S397-L434 WeakPolarHBondContact O-CD2 3.49Å; S397-V437 WeakPolarHBondContact OG-CG2 3.33Å
398	F	93.4	Very high	93.9	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.035	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7	178.9	-69.5	-100.6	0	0	0	113.2	V394 T401 L434 V437 L502 T503 V506	V394-F398 HydrophobicContact CG1-CD2 4.22Å; V394-F398 VanDerWaalsContact O-CB 3.32Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 PolarHBondContact O-N 3.44Å; F398-T401 HydrophobicContact CB-CG2 4.44Å; F398-T401 HydrophobicContact CD1-CG2 4.4Å; F398-L434 HydrophobicContact CD1-CD2 3.86Å; F398-L434 HydrophobicContact CD2-CD2 4Å; F398-L434 HydrophobicContact CE1-CD2 3.82Å; F398-L434 HydrophobicContact CE2-CD2 3.95Å; F398-L434 HydrophobicContact CG-CD2 3.96Å; F398-L434 HydrophobicContact CZ-CB 4.3Å; F398-L434 HydrophobicContact CZ-CD2 3.86Å; F398-V437 HydrophobicContact CD2-CG1 4.36Å; F398-V437 HydrophobicContact CE2-CB 4.13Å; F398-V437 HydrophobicContact CE2-CG1 3.84Å; F398-L502 HydrophobicContact CE1-CD2 4.1Å; F398-L502 HydrophobicContact CE1-CG 3.96Å; F398-L502 HydrophobicContact CZ-CD2 4.06Å; F398-L502 HydrophobicContact CZ-CG 4.07Å; F398-T503 HydrophobicContact CD1-CG2 4.22Å; F398-T503 WeakPolarHBondContact CD1-OG1 3.45Å; F398-V506 HydrophobicContact CZ-CG2 4.09Å
399	L	90.3	Very high	94.1	Very high	33 Å²	33	28.9 Å²	28.9	17%	0.173	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-58.6	177.9	-170.9	55.3	0	0	0	111.1	S395 A548 G551 R552	S395-L399 WeakPolarHBondContact O-CB 3.26Å; L399-A548 HydrophobicContact CD2-CB 4.09Å; L399-G551 VanDerWaalsContact CD1-C 3.47Å; L399-R552 HydrophobicContact CD1-CB 4.37Å; L399-R552 HydrophobicContact CD1-CG 3.62Å; L399-R552 HydrophobicContact CD2-CG 4.18Å
400	D	87.8	Confident	94.3	Very high	64 Å²	64	32.1 Å²	32.1	34%	0.342	17%	0.17	S	C	.	.			trans	-116	82	-177.4	-70.4	-48.1	0	0	0	110.3	I403 H430	D400-I403 HydrophobicContact CB-CD1 3.94Å; D400-I403 HydrophobicContact CB-CG1 4.33Å; D400-H430 PolarHBondContact O-NE2 3.42Å
401	T	90.9	Very high	94.5	Very high	31 Å²	31	32 Å²	32	19%	0.19	17%	0.169	C	C	.	.	S	Bend	trans	-82.7	-15.7	-179.2	53.3	0	0	0	0	114.1	F398 L434 V499	F398-T401 HydrophobicContact CB-CG2 4.44Å; F398-T401 HydrophobicContact CD1-CG2 4.4Å; T401-L434 HydrophobicContact CG2-CD2 4.34Å; T401-V499 HydrophobicContact CG2-CG1 3.83Å
402	Q	92.1	Very high	94.8	Very high	107 Å²	107	31.8 Å²	31.8	50%	0.5	17%	0.168	S	C	.	.	S	Bend	trans	-100.6	-30.5	-172	-66.4	-178.7	-8.7	0	0	114	L405 L406	Q402-L405 WeakPolarHBondContact O-CB 3.36Å; Q402-L405 PolarHBondContact O-N 3.19Å; Q402-L405 VanDerWaalsContact O-N 3.14Å; Q402-L406 HydrophobicContact CB-CD1 4.37Å; Q402-L406 WeakPolarHBondContact O-CG 3.34Å; Q402-L406 PolarHBondContact O-N 2.9Å
403	I	93.8	Very high	94.9	Very high	85 Å²	85	34.5 Å²	34.5	44%	0.436	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-48.6	-172.1	-62.4	176.3	0	0	0	112.4	D400 L405 L406 L407	D400-I403 HydrophobicContact CB-CD1 3.94Å; D400-I403 HydrophobicContact CB-CG1 4.33Å; I403-L405 VanDerWaalsContact C-N 3.26Å; I403-L405 PolarHBondContact O-N 2.88Å; I403-L406 PolarHBondContact O-N 2.86Å; I403-L406 VanDerWaalsContact O-N 3.15Å; I403-L407 HydrophobicContact CG2-CD1 3.89Å; I403-L407 HydrophobicContact CG2-CG 4.21Å; I403-L407 WeakPolarHBondContact O-CG 3.5Å; I403-L407 PolarHBondContact O-N 3.22Å
404	P	96.4	Very high	95.1	Very high	19 Å²	19	40.4 Å²	40.4	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-36.1	178.8	-25.2	35.8	0	0	0	113.4	L408 F427 H430	P404-L408 WeakPolarHBondContact O-CB 3.4Å; P404-L408 PolarHBondContact O-N 3.01Å; P404-F427 HydrophobicContact CB-CB 4.47Å; P404-F427 HydrophobicContact CB-CD2 4.34Å; P404-H430 HydrophobicContact CB-CB 4.42Å; P404-H430 HydrophobicContact CG-CB 4.14Å
405	L	98.3	Very high	95.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-45.2	176.2	178.5	70.3	0	0	0	111.5	Q402 I403 L408 I409 F427 V468 K492 W495 E496	Q402-L405 WeakPolarHBondContact O-CB 3.36Å; Q402-L405 PolarHBondContact O-N 3.19Å; Q402-L405 VanDerWaalsContact O-N 3.14Å; I403-L405 VanDerWaalsContact C-N 3.26Å; I403-L405 PolarHBondContact O-N 2.88Å; L405-L408 WeakPolarHBondContact O-CB 3.33Å; L405-L408 PolarHBondContact O-N 3.44Å; L405-I409 HydrophobicContact CD1-CD1 3.97Å; L405-I409 HydrophobicContact CD1-CG1 4.45Å; L405-I409 HydrophobicContact CG-CD1 3.88Å; L405-I409 VanDerWaalsContact O-CG1 3.32Å; L405-I409 WeakPolarHBondContact O-CG1 3.25Å; L405-I409 PolarHBondContact O-N 2.88Å; L405-F427 HydrophobicContact CB-CD2 4.31Å; L405-F427 HydrophobicContact CB-CE2 4.09Å; L405-F427 HydrophobicContact CD1-CD2 4.49Å; L405-F427 HydrophobicContact CD1-CE2 3.84Å; L405-F427 HydrophobicContact CD1-CZ 4.4Å; L405-V468 HydrophobicContact CD1-CG1 3.56Å; L405-K492 HydrophobicContact CD2-CG 3.8Å; L405-K492 HydrophobicContact CG-CG 4.45Å; L405-W495 HydrophobicContact CD1-CG 4.49Å; L405-W495 HydrophobicContact CD2-CG 4.45Å; L405-E496 HydrophobicContact CD2-CG 3.93Å
406	L	98	Very high	95.5	Very high	80 Å²	80	43.9 Å²	43.9	42%	0.419	23%	0.232	S	C	.	.	H	α-helix	trans	-65	-42.8	-178.8	-68	175.3	0	0	0	111.7	Q402 I403 L408 I409 D410	Q402-L406 HydrophobicContact CB-CD1 4.37Å; Q402-L406 WeakPolarHBondContact O-CG 3.34Å; Q402-L406 PolarHBondContact O-N 2.9Å; I403-L406 PolarHBondContact O-N 2.86Å; I403-L406 VanDerWaalsContact O-N 3.15Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.26Å; L406-I409 PolarHBondContact O-N 3.16Å; L406-D410 WeakPolarHBondContact O-CB 3.44Å; L406-D410 PolarHBondContact O-N 2.89Å
407	L	97.8	Very high	95.7	Very high	81 Å²	81	46.7 Å²	46.7	42%	0.424	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-40	175.1	-68.3	175.9	0	0	0	112	I403 A411 N423	I403-L407 HydrophobicContact CG2-CD1 3.89Å; I403-L407 HydrophobicContact CG2-CG 4.21Å; I403-L407 WeakPolarHBondContact O-CG 3.5Å; I403-L407 PolarHBondContact O-N 3.22Å; L407-A411 WeakPolarHBondContact O-CB 3.47Å; L407-A411 PolarHBondContact O-N 3.02Å; L407-A411 VanDerWaalsContact O-N 3.12Å; L407-N423 PolarHBondContact O-ND2 3.01Å
408	L	98.6	Very high	95.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-47.3	174.9	175.5	61.5	0	0	0	111.7	P404 L405 L406 A412 T420 N423 A424 F427 V468 V469 A472	P404-L408 WeakPolarHBondContact O-CB 3.4Å; P404-L408 PolarHBondContact O-N 3.01Å; L405-L408 WeakPolarHBondContact O-CB 3.33Å; L405-L408 PolarHBondContact O-N 3.44Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.26Å; L408-A412 WeakPolarHBondContact O-CB 3.33Å; L408-A412 PolarHBondContact O-N 3.39Å; L408-A412 VanDerWaalsContact O-N 3.1Å; L408-T420 HydrophobicContact CD1-CG2 3.87Å; L408-T420 WeakPolarHBondContact CD1-O 2.92Å; L408-N423 HydrophobicContact CB-CB 4.22Å; L408-N423 HydrophobicContact CD1-CB 4.24Å; L408-A424 HydrophobicContact CD1-CB 4.03Å; L408-F427 HydrophobicContact CD2-CB 4.17Å; L408-F427 HydrophobicContact CD2-CD1 4.16Å; L408-F427 HydrophobicContact CD2-CD2 4.36Å; L408-F427 HydrophobicContact CD2-CG 3.96Å; L408-V468 HydrophobicContact CD2-CG1 4.32Å; L408-V469 HydrophobicContact CD2-CG2 4.37Å; L408-A472 HydrophobicContact CD1-CB 3.67Å; L408-A472 HydrophobicContact CD2-CB 3.93Å; L408-A472 HydrophobicContact CG-CB 3.62Å
409	I	98.4	Very high	96.2	Very high	27 Å²	27	57 Å²	57	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-42	-178.9	-68.3	172.6	0	0	0	111.4	L405 L406 A412 S413 M488 K492	L405-I409 HydrophobicContact CD1-CD1 3.97Å; L405-I409 HydrophobicContact CD1-CG1 4.45Å; L405-I409 HydrophobicContact CG-CD1 3.88Å; L405-I409 VanDerWaalsContact O-CG1 3.32Å; L405-I409 WeakPolarHBondContact O-CG1 3.25Å; L405-I409 PolarHBondContact O-N 2.88Å; L406-I409 PolarHBondContact O-N 3.16Å; I409-A412 PolarHBondContact O-N 3.27Å; I409-S413 WeakPolarHBondContact O-CB 3.32Å; I409-S413 PolarHBondContact O-N 2.97Å; I409-M488 HydrophobicContact CD1-CE 3.88Å; I409-M488 HydrophobicContact CD1-CG 4.42Å; I409-M488 HydrophobicContact CG1-CE 3.69Å; I409-M488 HydrophobicContact CG1-CG 4.07Å; I409-M488 HydrophobicContact CG1-SD 4.16Å; I409-M488 HydrophobicContact CG2-CG 4.41Å; I409-K492 HydrophobicContact CD1-CB 3.88Å; I409-K492 HydrophobicContact CD1-CD 3.73Å; I409-K492 HydrophobicContact CD1-CG 3.63Å
410	D	98.3	Very high	96.5	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-50.7	179.2	175.2	50.7	0	0	0	111.2	L406 A412 S413 R414	L406-D410 WeakPolarHBondContact O-CB 3.44Å; L406-D410 PolarHBondContact O-N 2.89Å; D410-A412 VanDerWaalsContact C-N 3.32Å; D410-A412 PolarHBondContact O-N 2.78Å; D410-S413 PolarHBondContact O-N 3.45Å; D410-S413 PolarHBondContact O-OG 3.22Å; D410-R414 PolarHBondContact O-N 2.9Å; D410-R414 IonicContact OD1-CZ 3.81Å; D410-R414 IonicContact OD1-NH1 3.12Å; D410-R414 PolarHBondContact OD1-NH1 2.75Å; D410-R414 IonicContact OD2-CZ 2.76Å; D410-R414 VanDerWaalsContact OD2-CZ 3.24Å; D410-R414 IonicContact OD2-NH1 2.63Å; D410-R414 PolarHBondContact OD2-NH1 2.85Å; D410-R414 IonicContact OD2-NH2 2.75Å; D410-R414 PolarHBondContact OD2-NH2 3.39Å
411	A	98.2	Very high	97	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-43.7	174.5	0	0	0	0	0	112.5	L407 R414 G415 N416 E419	L407-A411 WeakPolarHBondContact O-CB 3.47Å; L407-A411 PolarHBondContact O-N 3.02Å; L407-A411 VanDerWaalsContact O-N 3.12Å; A411-R414 PolarHBondContact O-N 3.46Å; A411-G415 PolarHBondContact O-N 3.26Å; A411-N416 PolarHBondContact O-N 2.92Å; A411-N416 VanDerWaalsContact O-N 3.14Å; A411-E419 HydrophobicContact CB-CB 4.04Å; A411-E419 HydrophobicContact CB-CG 3.66Å
412	A	98.3	Very high	97.4	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-39.1	178.2	0	0	0	0	0	112.6	L408 I409 D410 R414 G415 T420 A472 L475 A476	L408-A412 WeakPolarHBondContact O-CB 3.33Å; L408-A412 PolarHBondContact O-N 3.39Å; L408-A412 VanDerWaalsContact O-N 3.1Å; I409-A412 PolarHBondContact O-N 3.27Å; D410-A412 VanDerWaalsContact C-N 3.32Å; D410-A412 PolarHBondContact O-N 2.78Å; A412-R414 PolarHBondContact O-N 3.5Å; A412-G415 PolarHBondContact O-N 3.39Å; A412-T420 WeakPolarHBondContact CA-OG1 3.34Å; A412-T420 HydrophobicContact CB-CG2 4.11Å; A412-T420 PolarHBondContact N-OG1 3.19Å; A412-A472 HydrophobicContact CB-CB 4.21Å; A412-A472 WeakPolarHBondContact CB-O 3.46Å; A412-L475 HydrophobicContact CB-CB 4.14Å; A412-L475 HydrophobicContact CB-CD2 3.99Å; A412-L475 HydrophobicContact CB-CG 4.12Å; A412-A476 HydrophobicContact CB-CB 4.15Å; A412-A476 WeakPolarHBondContact O-CA 3.17Å
413	S	98	Very high	97.7	Very high	56 Å²	56	55.1 Å²	55.1	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-27.9	179	78.8	0	0	0	0	113	I409 D410 G415	I409-S413 WeakPolarHBondContact O-CB 3.32Å; I409-S413 PolarHBondContact O-N 2.97Å; D410-S413 PolarHBondContact O-N 3.45Å; D410-S413 PolarHBondContact O-OG 3.22Å; S413-G415 VanDerWaalsContact C-N 3.29Å
414	R	97.4	Very high	97.9	Very high	124 Å²	124	51.1 Å²	51.1	47%	0.468	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.1	172.6	-66.6	-167.6	-67.8	-107.1	2.3	113.7	D410 A411 A412 N416 E419	D410-R414 PolarHBondContact O-N 2.9Å; D410-R414 IonicContact OD1-CZ 3.81Å; D410-R414 IonicContact OD1-NH1 3.12Å; D410-R414 PolarHBondContact OD1-NH1 2.75Å; D410-R414 IonicContact OD2-CZ 2.76Å; D410-R414 VanDerWaalsContact OD2-CZ 3.24Å; D410-R414 IonicContact OD2-NH1 2.63Å; D410-R414 PolarHBondContact OD2-NH1 2.85Å; D410-R414 IonicContact OD2-NH2 2.75Å; D410-R414 PolarHBondContact OD2-NH2 3.39Å; A411-R414 PolarHBondContact O-N 3.46Å; A412-R414 PolarHBondContact O-N 3.5Å; R414-N416 VanDerWaalsContact C-N 3.27Å; R414-E419 IonicContact CZ-OE2 3.26Å; R414-E419 IonicContact NE-OE2 3.43Å; R414-E419 VanDerWaalsContact NH2-CD 3.25Å; R414-E419 IonicContact NH2-OE1 2.64Å; R414-E419 PolarHBondContact NH2-OE1 3.48Å; R414-E419 IonicContact NH2-OE2 3.13Å; R414-E419 PolarHBondContact NH2-OE2 3.46Å
415	G	97	Very high	98	Very high	23 Å²	23	57.3 Å²	57.3	24%	0.237	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	18.4	-173.8	0	0	0	0	0	113.8	A411 A412 S413 M417 A476	A411-G415 PolarHBondContact O-N 3.26Å; A412-G415 PolarHBondContact O-N 3.39Å; S413-G415 VanDerWaalsContact C-N 3.29Å; G415-M417 PolarHBondContact O-N 2.96Å; G415-A476 WeakPolarHBondContact CA-O 3.26Å
416	N	97.6	Very high	97.9	Very high	63 Å²	63	60.3 Å²	60.3	34%	0.337	30%	0.298	S	S	.	.			trans	-84.7	90.6	-178.9	-170.7	-6.6	0	0	0	110.6	A411 R414 E418 E419 T420	A411-N416 PolarHBondContact O-N 2.92Å; A411-N416 VanDerWaalsContact O-N 3.14Å; R414-N416 VanDerWaalsContact C-N 3.27Å; N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 PolarHBondContact O-N 3.38Å; N416-E419 HydrophobicContact CB-CB 4.11Å; N416-E419 VanDerWaalsContact CG-CB 3.45Å; N416-E419 WeakPolarHBondContact ND2-CB 3.45Å; N416-E419 PolarHBondContact ND2-OE2 2.92Å; N416-E419 PolarHBondContact OD1-N 3.33Å; N416-T420 VanDerWaalsContact O-CB 3.28Å; N416-T420 WeakPolarHBondContact O-CB 3.14Å; N416-T420 PolarHBondContact O-N 3.24Å; N416-T420 PolarHBondContact O-OG1 3.11Å
417	M	96.1	Very high	98	Very high	104 Å²	104	56.6 Å²	56.6	51%	0.512	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-37.7	-175.7	-67.7	-70	-67.1	0	0	113.5	G415 E421 A476 A477	G415-M417 PolarHBondContact O-N 2.96Å; M417-E421 PolarHBondContact O-N 2.68Å; M417-E421 VanDerWaalsContact O-N 3.08Å; M417-A476 HydrophobicContact CG-CB 4.45Å; M417-A476 VanDerWaalsContact SD-C 3.59Å; M417-A476 HydrophobicContact SD-CB 3.39Å; M417-A476 WeakPolarHBondContact SD-CB 3.32Å; M417-A477 HydrophobicContact SD-CB 4.24Å
418	E	97.7	Very high	98	Very high	167 Å²	167	55.8 Å²	55.8	78%	0.78	28%	0.275	S	S	*	.	H	α-helix	trans	-69.9	-49.1	-177.4	-175.3	174.8	-174.9	0	0	111.3	N416 T420 E421 Q422	N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 PolarHBondContact O-N 3.38Å; E418-T420 VanDerWaalsContact C-N 3.32Å; E418-T420 PolarHBondContact O-N 3.07Å; E418-E421 PolarHBondContact O-N 2.68Å; E418-Q422 PolarHBondContact O-N 2.73Å; E418-Q422 VanDerWaalsContact O-N 3.1Å
419	E	98.2	Very high	97.9	Very high	63 Å²	63	62.6 Å²	62.6	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-38.1	175.6	-172.7	-175	-173.9	0	0	111.7	A411 R414 N416 E421 Q422 N423	A411-E419 HydrophobicContact CB-CB 4.04Å; A411-E419 HydrophobicContact CB-CG 3.66Å; R414-E419 IonicContact CZ-OE2 3.26Å; R414-E419 IonicContact NE-OE2 3.43Å; R414-E419 VanDerWaalsContact NH2-CD 3.25Å; R414-E419 IonicContact NH2-OE1 2.64Å; R414-E419 PolarHBondContact NH2-OE1 3.48Å; R414-E419 IonicContact NH2-OE2 3.13Å; R414-E419 PolarHBondContact NH2-OE2 3.46Å; N416-E419 HydrophobicContact CB-CB 4.11Å; N416-E419 VanDerWaalsContact CG-CB 3.45Å; N416-E419 WeakPolarHBondContact ND2-CB 3.45Å; N416-E419 PolarHBondContact ND2-OE2 2.92Å; N416-E419 PolarHBondContact OD1-N 3.33Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.37Å; E419-Q422 PolarHBondContact O-N 2.95Å; E419-N423 WeakPolarHBondContact O-CB 3.43Å; E419-N423 PolarHBondContact O-N 3.41Å
420	T	98.3	Very high	97.8	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-42.4	174.8	-59.2	0	0	0	0	111.2	L408 A412 N416 E418 A424 A472 A476	L408-T420 HydrophobicContact CD1-CG2 3.87Å; L408-T420 WeakPolarHBondContact CD1-O 2.92Å; A412-T420 WeakPolarHBondContact CA-OG1 3.34Å; A412-T420 HydrophobicContact CB-CG2 4.11Å; A412-T420 PolarHBondContact N-OG1 3.19Å; N416-T420 VanDerWaalsContact O-CB 3.28Å; N416-T420 WeakPolarHBondContact O-CB 3.14Å; N416-T420 PolarHBondContact O-N 3.24Å; N416-T420 PolarHBondContact O-OG1 3.11Å; E418-T420 VanDerWaalsContact C-N 3.32Å; E418-T420 PolarHBondContact O-N 3.07Å; T420-A424 WeakPolarHBondContact O-CB 3.44Å; T420-A424 PolarHBondContact O-N 2.95Å; T420-A472 HydrophobicContact CG2-CB 4.26Å; T420-A476 HydrophobicContact CG2-CB 4.04Å
421	E	98.2	Very high	97.8	Very high	62 Å²	62	59.8 Å²	59.8	29%	0.29	29%	0.291	S	S	.	.	H	α-helix	trans	-71.1	-35.4	-179.8	-172.5	58.8	-153.9	0	0	112.2	M417 E418 E419 A424 R425 R473	M417-E421 PolarHBondContact O-N 2.68Å; M417-E421 VanDerWaalsContact O-N 3.08Å; E418-E421 PolarHBondContact O-N 2.68Å; E419-E421 VanDerWaalsContact C-N 3.32Å; E419-E421 PolarHBondContact O-N 3.37Å; E421-A424 PolarHBondContact O-N 3.43Å; E421-R425 WeakPolarHBondContact O-CG 3.45Å; E421-R425 PolarHBondContact O-N 3.36Å; E421-R473 VanDerWaalsContact CD-NH2 3.3Å; E421-R473 IonicContact OE1-CZ 2.61Å; E421-R473 IonicContact OE1-NH2 3.83Å; E421-R473 PolarHBondContact OE1-NH2 3.26Å; E421-R473 IonicContact OE2-CZ 3.01Å; E421-R473 VanDerWaalsContact OE2-CZ 3.32Å; E421-R473 IonicContact OE2-NE 3.62Å; E421-R473 PolarHBondContact OE2-NE 3.28Å; E421-R473 IonicContact OE2-NH2 3.85Å; E421-R473 PolarHBondContact OE2-NH2 3.26Å
422	Q	98.1	Very high	97.7	Very high	107 Å²	107	66.1 Å²	66.1	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-48.3	173.3	-176.2	59.3	24.5	0	0	111.2	E418 E419 A424 R425 T426	E418-Q422 PolarHBondContact O-N 2.73Å; E418-Q422 VanDerWaalsContact O-N 3.1Å; E419-Q422 PolarHBondContact O-N 2.95Å; Q422-A424 PolarHBondContact O-N 2.97Å; Q422-R425 WeakPolarHBondContact O-CB 3.36Å; Q422-R425 PolarHBondContact O-N 3.33Å; Q422-R425 VanDerWaalsContact O-N 3.15Å; Q422-T426 PolarHBondContact O-N 3.32Å; Q422-T426 PolarHBondContact O-OG1 2.88Å
423	N	98.3	Very high	97.6	Very high	25 Å²	25	67.9 Å²	67.9	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-30.6	177	-70	-15	0	0	0	111.9	L407 L408 E419 R425 T426 F427	L407-N423 PolarHBondContact O-ND2 3.01Å; L408-N423 HydrophobicContact CB-CB 4.22Å; L408-N423 HydrophobicContact CD1-CB 4.24Å; E419-N423 WeakPolarHBondContact O-CB 3.43Å; E419-N423 PolarHBondContact O-N 3.41Å; N423-R425 VanDerWaalsContact C-N 3.34Å; N423-R425 PolarHBondContact O-N 2.91Å; N423-T426 PolarHBondContact O-N 3.4Å; N423-F427 VanDerWaalsContact O-CB 3.26Å; N423-F427 WeakPolarHBondContact O-CB 3.3Å; N423-F427 PolarHBondContact O-N 3.27Å
424	A	98.5	Very high	97.5	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-38.8	174.4	0	0	0	0	0	112.1	L408 T420 E421 Q422 F427 L428 V469	L408-A424 HydrophobicContact CD1-CB 4.03Å; T420-A424 WeakPolarHBondContact O-CB 3.44Å; T420-A424 PolarHBondContact O-N 2.95Å; E421-A424 PolarHBondContact O-N 3.43Å; Q422-A424 PolarHBondContact O-N 2.97Å; A424-F427 PolarHBondContact O-N 3.5Å; A424-L428 WeakPolarHBondContact O-CB 3.18Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.48Å; A424-L428 PolarHBondContact O-N 3.47Å; A424-V469 HydrophobicContact CB-CB 4.48Å; A424-V469 HydrophobicContact CB-CG1 3.7Å; A424-V469 HydrophobicContact CB-CG2 4.03Å
425	R	98.3	Very high	97.4	Very high	150 Å²	150	60.5 Å²	60.5	57%	0.566	29%	0.293	S	S	*	.	H	α-helix	trans	-64.7	-48.4	175.3	-66.8	173.2	-173.1	-178.9	1.7	111.2	E421 Q422 N423 F427 L428 E429	E421-R425 WeakPolarHBondContact O-CG 3.45Å; E421-R425 PolarHBondContact O-N 3.36Å; Q422-R425 WeakPolarHBondContact O-CB 3.36Å; Q422-R425 PolarHBondContact O-N 3.33Å; Q422-R425 VanDerWaalsContact O-N 3.15Å; N423-R425 VanDerWaalsContact C-N 3.34Å; N423-R425 PolarHBondContact O-N 2.91Å; R425-F427 VanDerWaalsContact C-N 3.31Å; R425-F427 PolarHBondContact O-N 3.1Å; R425-L428 PolarHBondContact O-N 2.94Å; R425-E429 WeakPolarHBondContact O-CB 3.44Å; R425-E429 PolarHBondContact O-N 3.23Å
426	T	97.5	Very high	97.2	Very high	64 Å²	64	63.4 Å²	63.4	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-42	176.8	-57	0	0	0	0	111.7	Q422 N423 E429 H430	Q422-T426 PolarHBondContact O-N 3.32Å; Q422-T426 PolarHBondContact O-OG1 2.88Å; N423-T426 PolarHBondContact O-N 3.4Å; T426-E429 PolarHBondContact O-N 3.35Å; T426-H430 WeakPolarHBondContact O-CB 3.22Å; T426-H430 PolarHBondContact O-N 2.96Å
427	F	98.5	Very high	97	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-45.7	175.8	173.8	-93.5	0	0	0	112.4	P404 L405 L408 N423 A424 R425 H430 A431 A465 V468 V469 W495	P404-F427 HydrophobicContact CB-CB 4.47Å; P404-F427 HydrophobicContact CB-CD2 4.34Å; L405-F427 HydrophobicContact CB-CD2 4.31Å; L405-F427 HydrophobicContact CB-CE2 4.09Å; L405-F427 HydrophobicContact CD1-CD2 4.49Å; L405-F427 HydrophobicContact CD1-CE2 3.84Å; L405-F427 HydrophobicContact CD1-CZ 4.4Å; L408-F427 HydrophobicContact CD2-CB 4.17Å; L408-F427 HydrophobicContact CD2-CD1 4.16Å; L408-F427 HydrophobicContact CD2-CD2 4.36Å; L408-F427 HydrophobicContact CD2-CG 3.96Å; N423-F427 VanDerWaalsContact O-CB 3.26Å; N423-F427 WeakPolarHBondContact O-CB 3.3Å; N423-F427 PolarHBondContact O-N 3.27Å; A424-F427 PolarHBondContact O-N 3.5Å; R425-F427 VanDerWaalsContact C-N 3.31Å; R425-F427 PolarHBondContact O-N 3.1Å; F427-H430 PolarHBondContact O-N 3.01Å; F427-A431 WeakPolarHBondContact O-CB 3.49Å; F427-A431 PolarHBondContact O-N 2.82Å; F427-A465 HydrophobicContact CE1-CB 4.21Å; F427-V468 HydrophobicContact CE1-CB 3.9Å; F427-V468 HydrophobicContact CE1-CG1 4.03Å; F427-V468 HydrophobicContact CE2-CG1 4.3Å; F427-V468 HydrophobicContact CZ-CB 3.87Å; F427-V468 HydrophobicContact CZ-CG1 3.72Å; F427-V468 HydrophobicContact CZ-CG2 4.18Å; F427-V469 HydrophobicContact CD1-CG2 3.76Å; F427-V469 HydrophobicContact CE1-CG2 4.22Å; F427-W495 HydrophobicContact CE1-CH2 4.42Å; F427-W495 HydrophobicContact CE2-CD2 4.12Å; F427-W495 AromaticContact CE2-CE2 3.53Å; F427-W495 HydrophobicContact CE2-CH2 4.36Å; F427-W495 AromaticContact CE2-CZ2 3.67Å; F427-W495 HydrophobicContact CE2-CZ2 3.67Å; F427-W495 AromaticContact CE2-NE1 3.7Å; F427-W495 AromaticContact CZ-CD2 3.67Å; F427-W495 HydrophobicContact CZ-CD2 3.67Å; F427-W495 AromaticContact CZ-CE2 3.47Å; F427-W495 VanDerWaalsContact CZ-CE2 3.47Å; F427-W495 AromaticContact CZ-CE3 3.9Å; F427-W495 HydrophobicContact CZ-CE3 3.9Å; F427-W495 HydrophobicContact CZ-CG 4.36Å; F427-W495 AromaticContact CZ-CH2 3.79Å; F427-W495 HydrophobicContact CZ-CH2 3.79Å; F427-W495 AromaticContact CZ-CZ2 3.54Å; F427-W495 HydrophobicContact CZ-CZ2 3.54Å; F427-W495 AromaticContact CZ-CZ3 3.96Å; F427-W495 HydrophobicContact CZ-CZ3 3.96Å
428	L	98.4	Very high	96.9	Very high	65 Å²	65	55.5 Å²	55.5	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-36.9	178.6	-71.2	173.8	0	0	0	112.4	A424 R425 A431 K432 A465 V469	A424-L428 WeakPolarHBondContact O-CB 3.18Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.48Å; A424-L428 PolarHBondContact O-N 3.47Å; R425-L428 PolarHBondContact O-N 2.94Å; L428-A431 PolarHBondContact O-N 3.44Å; L428-K432 WeakPolarHBondContact O-CB 3.18Å; L428-K432 PolarHBondContact O-N 3.4Å; L428-A465 HydrophobicContact CD2-CB 4.01Å; L428-V469 HydrophobicContact CD1-CG2 4.14Å; L428-V469 HydrophobicContact CD2-CG2 3.87Å; L428-V469 HydrophobicContact CG-CG2 3.81Å
429	E	97	Very high	96.6	Very high	143 Å²	143	49.8 Å²	49.8	67%	0.668	24%	0.241	S	C	*	.	H	α-helix	trans	-64.6	-44.1	174.3	-175.3	171.5	-166.7	0	0	111.3	R425 T426 K432 K433	R425-E429 WeakPolarHBondContact O-CB 3.44Å; R425-E429 PolarHBondContact O-N 3.23Å; T426-E429 PolarHBondContact O-N 3.35Å; E429-K432 PolarHBondContact O-N 3.47Å; E429-K433 PolarHBondContact O-N 3Å
430	H	97.1	Very high	96.3	Very high	33 Å²	33	47.9 Å²	47.9	15%	0.153	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-47	174.3	-179.7	-99.2	0	0	0	112	S397 D400 P404 T426 F427 K432 K433 L434	S397-H430 PolarHBondContact O-NE2 2.64Å; D400-H430 PolarHBondContact O-NE2 3.42Å; P404-H430 HydrophobicContact CB-CB 4.42Å; P404-H430 HydrophobicContact CG-CB 4.14Å; T426-H430 WeakPolarHBondContact O-CB 3.22Å; T426-H430 PolarHBondContact O-N 2.96Å; F427-H430 PolarHBondContact O-N 3.01Å; H430-K432 VanDerWaalsContact C-N 3.32Å; H430-K432 PolarHBondContact O-N 3.37Å; H430-K433 WeakPolarHBondContact O-CB 3.37Å; H430-K433 PolarHBondContact O-N 2.77Å; H430-K433 VanDerWaalsContact O-N 3.1Å; H430-L434 WeakPolarHBondContact O-CG 3.38Å; H430-L434 PolarHBondContact O-N 2.88Å
431	A	97.8	Very high	96	Very high	3 Å²	3	48 Å²	48	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-56	-45.1	174.8	0	0	0	0	0	112.4	F427 L428 K433 L434 V435 A465 W495	F427-A431 WeakPolarHBondContact O-CB 3.49Å; F427-A431 PolarHBondContact O-N 2.82Å; L428-A431 PolarHBondContact O-N 3.44Å; A431-K433 VanDerWaalsContact C-N 3.34Å; A431-L434 PolarHBondContact O-N 2.88Å; A431-V435 WeakPolarHBondContact O-CG2 3.41Å; A431-V435 PolarHBondContact O-N 3.4Å; A431-A465 HydrophobicContact CB-CB 3.75Å; A431-W495 HydrophobicContact CB-CH2 3.52Å; A431-W495 HydrophobicContact CB-CZ2 4.21Å; A431-W495 HydrophobicContact CB-CZ3 4.44Å
432	K	96.4	Very high	95.6	Very high	132 Å²	132	45.2 Å²	45.2	57%	0.574	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-43.6	176.2	-170.9	-172.3	-177.7	-119.5	0	111.1	L428 E429 H430 L434 V435 E436	L428-K432 WeakPolarHBondContact O-CB 3.18Å; L428-K432 PolarHBondContact O-N 3.4Å; E429-K432 PolarHBondContact O-N 3.47Å; H430-K432 VanDerWaalsContact C-N 3.32Å; H430-K432 PolarHBondContact O-N 3.37Å; K432-L434 PolarHBondContact O-N 2.93Å; K432-V435 PolarHBondContact O-N 3.3Å; K432-E436 WeakPolarHBondContact CE-OE1 3.48Å; K432-E436 HydrophobicContact CG-CG 4.49Å; K432-E436 IonicContact NZ-OE1 3.6Å; K432-E436 PolarHBondContact NZ-OE1 2.92Å; K432-E436 WeakPolarHBondContact O-CG 3.39Å; K432-E436 PolarHBondContact O-N 3.4Å
433	K	95	Very high	95.2	Very high	37 Å²	37	43.5 Å²	43.5	16%	0.161	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-43.1	177.4	-174.7	66.2	-179.3	-179	0	111.7	T327 N328 H393 S397 E429 H430 A431 V435 E436 V437	T327-K433 PolarHBondContact OG1-NZ 3.35Å; N328-K433 WeakPolarHBondContact ND2-CE 3.4Å; N328-K433 PolarHBondContact OD1-NZ 3.37Å; H393-K433 PolarHBondContact ND1-NZ 3.19Å; S397-K433 WeakPolarHBondContact OG-CE 3.42Å; E429-K433 PolarHBondContact O-N 3Å; H430-K433 WeakPolarHBondContact O-CB 3.37Å; H430-K433 PolarHBondContact O-N 2.77Å; H430-K433 VanDerWaalsContact O-N 3.1Å; A431-K433 VanDerWaalsContact C-N 3.34Å; K433-V435 VanDerWaalsContact C-N 3.3Å; K433-V435 PolarHBondContact O-N 3.42Å; K433-E436 PolarHBondContact O-N 2.91Å; K433-V437 HydrophobicContact CD-CG2 4.27Å; K433-V437 HydrophobicContact CG-CG2 4.43Å; K433-V437 VanDerWaalsContact O-CG2 3.31Å; K433-V437 WeakPolarHBondContact O-CG2 3.36Å; K433-V437 PolarHBondContact O-N 2.91Å
434	L	96.6	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.1	-44.9	175.2	-66.4	177.4	0	0	0	111.9	S397 F398 T401 H430 A431 K432 A438 V499 L502	S397-L434 VanDerWaalsContact O-CD2 3.28Å; S397-L434 WeakPolarHBondContact O-CD2 3.49Å; F398-L434 HydrophobicContact CD1-CD2 3.86Å; F398-L434 HydrophobicContact CD2-CD2 4Å; F398-L434 HydrophobicContact CE1-CD2 3.82Å; F398-L434 HydrophobicContact CE2-CD2 3.95Å; F398-L434 HydrophobicContact CG-CD2 3.96Å; F398-L434 HydrophobicContact CZ-CB 4.3Å; F398-L434 HydrophobicContact CZ-CD2 3.86Å; T401-L434 HydrophobicContact CG2-CD2 4.34Å; H430-L434 WeakPolarHBondContact O-CG 3.38Å; H430-L434 PolarHBondContact O-N 2.88Å; A431-L434 PolarHBondContact O-N 2.88Å; K432-L434 PolarHBondContact O-N 2.93Å; L434-A438 WeakPolarHBondContact O-CB 3.42Å; L434-A438 PolarHBondContact O-N 3.35Å; L434-V499 HydrophobicContact CD1-CG1 4.16Å; L434-V499 HydrophobicContact CD1-CG2 4.28Å; L434-L502 HydrophobicContact CB-CD2 4.2Å
435	V	95.4	Very high	94.2	Very high	26 Å²	26	44 Å²	44	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-43.1	178.5	173.2	0	0	0	0	111.6	A431 K432 K433 V437 A438 A439 A458 V461 E462	A431-V435 WeakPolarHBondContact O-CG2 3.41Å; A431-V435 PolarHBondContact O-N 3.4Å; K432-V435 PolarHBondContact O-N 3.3Å; K433-V435 VanDerWaalsContact C-N 3.3Å; K433-V435 PolarHBondContact O-N 3.42Å; V435-V437 PolarHBondContact O-N 2.82Å; V435-A438 PolarHBondContact O-N 3.4Å; V435-A439 WeakPolarHBondContact O-CB 3.25Å; V435-A439 PolarHBondContact O-N 2.96Å; V435-A458 HydrophobicContact CG1-CB 4.37Å; V435-A458 HydrophobicContact CG2-CB 4.5Å; V435-V461 HydrophobicContact CG2-CB 4.45Å; V435-V461 HydrophobicContact CG2-CG1 4.14Å; V435-E462 HydrophobicContact CG2-CB 4.2Å
436	E	92.9	Very high	93.3	Very high	83 Å²	83	41.3 Å²	41.3	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-42.7	177.1	-74.1	176	-178.3	0	0	112	K432 K433 A439 M440	K432-E436 WeakPolarHBondContact CE-OE1 3.48Å; K432-E436 HydrophobicContact CG-CG 4.49Å; K432-E436 IonicContact NZ-OE1 3.6Å; K432-E436 PolarHBondContact NZ-OE1 2.92Å; K432-E436 WeakPolarHBondContact O-CG 3.39Å; K432-E436 PolarHBondContact O-N 3.4Å; K433-E436 PolarHBondContact O-N 2.91Å; E436-A439 PolarHBondContact O-N 2.87Å; E436-M440 WeakPolarHBondContact O-CB 3.4Å; E436-M440 PolarHBondContact O-N 2.97Å
437	V	93.8	Very high	92.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-69.7	-38.4	178	174.6	0	0	0	0	111.8	H393 V394 S397 F398 K433 V435 M440 T441	H393-V437 HydrophobicContact CB-CB 4.38Å; H393-V437 HydrophobicContact CB-CG1 3.76Å; H393-V437 HydrophobicContact CB-CG2 3.73Å; V394-V437 HydrophobicContact CB-CG1 4.41Å; V394-V437 HydrophobicContact CG2-CG1 3.68Å; S397-V437 WeakPolarHBondContact OG-CG2 3.33Å; F398-V437 HydrophobicContact CD2-CG1 4.36Å; F398-V437 HydrophobicContact CE2-CB 4.13Å; F398-V437 HydrophobicContact CE2-CG1 3.84Å; K433-V437 HydrophobicContact CD-CG2 4.27Å; K433-V437 HydrophobicContact CG-CG2 4.43Å; K433-V437 VanDerWaalsContact O-CG2 3.31Å; K433-V437 WeakPolarHBondContact O-CG2 3.36Å; K433-V437 PolarHBondContact O-N 2.91Å; V435-V437 PolarHBondContact O-N 2.82Å; V437-M440 WeakPolarHBondContact O-CB 3.4Å; V437-M440 PolarHBondContact O-N 3.19Å; V437-T441 PolarHBondContact O-N 3.32Å; V437-T441 PolarHBondContact O-OG1 3.31Å
438	A	93.4	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-46.4	172.6	0	0	0	0	0	111.6	L434 V435 M440 T441 C442 V454 A458 L502 V506	L434-A438 WeakPolarHBondContact O-CB 3.42Å; L434-A438 PolarHBondContact O-N 3.35Å; V435-A438 PolarHBondContact O-N 3.4Å; A438-M440 VanDerWaalsContact C-N 3.32Å; A438-M440 PolarHBondContact O-N 3.4Å; A438-T441 WeakPolarHBondContact O-CB 3.29Å; A438-T441 PolarHBondContact O-N 3.32Å; A438-C442 PolarHBondContact O-N 2.68Å; A438-C442 VanDerWaalsContact O-N 3.15Å; A438-C442 PolarHBondContact O-SG 2.59Å; A438-V454 HydrophobicContact CB-CG1 3.78Å; A438-A458 HydrophobicContact CB-CB 4.26Å; A438-L502 HydrophobicContact CB-CD1 3.74Å; A438-L502 HydrophobicContact CB-CD2 4.48Å; A438-L502 HydrophobicContact CB-CG 4.47Å; A438-V506 HydrophobicContact CB-CG2 4.05Å
439	A	91.5	Very high	90.7	Very high	48 Å²	48	45.6 Å²	45.6	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-37.6	175.5	0	0	0	0	0	112.3	V435 E436 T441 C442 K443	V435-A439 WeakPolarHBondContact O-CB 3.25Å; V435-A439 PolarHBondContact O-N 2.96Å; E436-A439 PolarHBondContact O-N 2.87Å; A439-T441 VanDerWaalsContact C-N 3.33Å; A439-T441 PolarHBondContact O-N 3.38Å; A439-C442 WeakPolarHBondContact O-CB 3.12Å; A439-C442 PolarHBondContact O-N 3.29Å; A439-K443 PolarHBondContact O-N 3.19Å
440	M	91	Very high	90	Very high	23 Å²	23	39.5 Å²	39.5	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-40.7	174.8	-166	-172.1	-70.6	0	0	111.7	I323 V390 E436 V437 A438 C442 K443	I323-M440 HydrophobicContact CD1-CG 4.5Å; I323-M440 HydrophobicContact CG1-CG 4.12Å; I323-M440 HydrophobicContact CG1-SD 4.16Å; I323-M440 HydrophobicContact CG2-SD 4.17Å; V390-M440 HydrophobicContact CG2-CG 3.94Å; V390-M440 HydrophobicContact CG2-SD 4.04Å; E436-M440 WeakPolarHBondContact O-CB 3.4Å; E436-M440 PolarHBondContact O-N 2.97Å; V437-M440 WeakPolarHBondContact O-CB 3.4Å; V437-M440 PolarHBondContact O-N 3.19Å; A438-M440 VanDerWaalsContact C-N 3.32Å; A438-M440 PolarHBondContact O-N 3.4Å; M440-C442 VanDerWaalsContact C-N 3.31Å; M440-C442 PolarHBondContact O-N 3.08Å; M440-K443 WeakPolarHBondContact O-CB 3.38Å; M440-K443 PolarHBondContact O-N 3.3Å; M440-K443 VanDerWaalsContact O-N 3.16Å
441	T	91.7	Very high	89.4	Confident	3 Å²	3	38 Å²	38	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-39.2	176.8	-53.8	0	0	0	0	111.7	V390 V437 A438 A439 K443 M444 C445 V506 I509 I510	V390-T441 HydrophobicContact CG1-CG2 4.31Å; V390-T441 WeakPolarHBondContact CG1-OG1 3.48Å; V437-T441 PolarHBondContact O-N 3.32Å; V437-T441 PolarHBondContact O-OG1 3.31Å; A438-T441 WeakPolarHBondContact O-CB 3.29Å; A438-T441 PolarHBondContact O-N 3.32Å; A439-T441 VanDerWaalsContact C-N 3.33Å; A439-T441 PolarHBondContact O-N 3.38Å; T441-K443 VanDerWaalsContact C-N 3.29Å; T441-K443 PolarHBondContact O-N 3.01Å; T441-M444 PolarHBondContact O-N 3.07Å; T441-C445 PolarHBondContact O-N 3.09Å; T441-V506 HydrophobicContact CG2-CG1 4.3Å; T441-I509 HydrophobicContact CG2-CB 3.74Å; T441-I509 HydrophobicContact CG2-CD1 4.09Å; T441-I509 HydrophobicContact CG2-CG1 4.48Å; T441-I509 HydrophobicContact CG2-CG2 3.58Å; T441-I510 HydrophobicContact CG2-CG2 4.34Å
442	C	91.5	Very high	88.7	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-29.6	175.4	-68.7	0	0	0	0	114	G280 A438 A439 M440 M444 C445 V451 V454	G280-C442 WeakPolarHBondContact CA-O 3.46Å; G280-C442 PolarHBondContact N-O 3.47Å; A438-C442 PolarHBondContact O-N 2.68Å; A438-C442 VanDerWaalsContact O-N 3.15Å; A438-C442 PolarHBondContact O-SG 2.59Å; A439-C442 WeakPolarHBondContact O-CB 3.12Å; A439-C442 PolarHBondContact O-N 3.29Å; M440-C442 VanDerWaalsContact C-N 3.31Å; M440-C442 PolarHBondContact O-N 3.08Å; C442-M444 VanDerWaalsContact C-N 3.26Å; C442-M444 PolarHBondContact O-N 3.34Å; C442-C445 PolarHBondContact O-N 3.17Å; C442-V451 HydrophobicContact CB-CG1 4.04Å; C442-V451 HydrophobicContact CB-CG2 4.29Å; C442-V454 WeakPolarHBondContact SG-CG1 3.47Å
443	K	89.1	Confident	88.1	Confident	71 Å²	71	35.5 Å²	35.5	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-65.9	-28.5	179.8	-66.3	179.1	-179.2	179.3	0	113.1	G280 L282 A283 A439 M440 T441	G280-K443 CarbonylContact C-O 3.49Å; G280-K443 WeakPolarHBondContact CA-O 3.48Å; L282-K443 HydrophobicContact CB-CB 4.44Å; L282-K443 PolarHBondContact N-O 3.34Å; A283-K443 PolarHBondContact N-O 3.35Å; A283-K443 VanDerWaalsContact N-O 3.07Å; A439-K443 PolarHBondContact O-N 3.19Å; M440-K443 WeakPolarHBondContact O-CB 3.38Å; M440-K443 PolarHBondContact O-N 3.3Å; M440-K443 VanDerWaalsContact O-N 3.16Å; T441-K443 VanDerWaalsContact C-N 3.29Å; T441-K443 PolarHBondContact O-N 3.01Å
444	M	88.5	Confident	87.9	Confident	25 Å²	25	33.7 Å²	33.7	12%	0.123	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.2	179.7	-67.8	-59	-67	0	0	113.3	L282 L286 I323 R383 L386 R387 V390 T441 C442	L282-M444 HydrophobicContact CB-SD 4.27Å; L282-M444 HydrophobicContact CD2-SD 3.67Å; L282-M444 HydrophobicContact CG-SD 3.89Å; L286-M444 HydrophobicContact CD1-CE 4.21Å; I323-M444 HydrophobicContact CD1-CG 4.47Å; R383-M444 HydrophobicContact CG-CE 4.01Å; L386-M444 HydrophobicContact CB-CE 3.69Å; L386-M444 HydrophobicContact CB-SD 4.08Å; L386-M444 HydrophobicContact CD1-CE 4.36Å; L386-M444 HydrophobicContact CD1-SD 4.41Å; R387-M444 HydrophobicContact CG-CE 3.88Å; V390-M444 HydrophobicContact CG2-CG 4.03Å; T441-M444 PolarHBondContact O-N 3.07Å; C442-M444 VanDerWaalsContact C-N 3.26Å; C442-M444 PolarHBondContact O-N 3.34Å
445	C	86.6	Confident	87.5	Confident	11 Å²	11	35 Å²	35	7%	0.074	20%	0.199	C	C	.	.			trans	-93	126.3	179.7	-170.6	0	0	0	0	111.4	G280 T441 C442 E447 V451 I509	G280-C445 WeakPolarHBondContact CA-O 3.39Å; T441-C445 PolarHBondContact O-N 3.09Å; C442-C445 PolarHBondContact O-N 3.17Å; C445-E447 PolarHBondContact SG-N 3.03Å; C445-E447 PolarHBondContact SG-O 3.23Å; C445-V451 HydrophobicContact CB-CG2 3.72Å; C445-I509 HydrophobicContact CB-CD1 4.15Å; C445-I509 HydrophobicContact CB-CG2 3.71Å
446	S	80.1	Confident	87.1	Confident	94 Å²	94	35.5 Å²	35.5	66%	0.657	20%	0.198	S	C	*	.			trans	-88.2	-10.4	174.6	52.6	0	0	0	0	113.9
447	E	80.3	Confident	87	Confident	84 Å²	84	31.6 Å²	31.6	39%	0.393	18%	0.18	S	C	.	.			trans	-100.3	113.7	-173.5	-76.4	-162.3	-140.6	0	0	111.6	C445 D449 Y450 V451	C445-E447 PolarHBondContact SG-N 3.03Å; C445-E447 PolarHBondContact SG-O 3.23Å; E447-D449 VanDerWaalsContact C-N 3.31Å; E447-D449 PolarHBondContact O-N 3.46Å; E447-Y450 HydrophobicContact CB-CD2 3.57Å; E447-Y450 HydrophobicContact CB-CE2 3.99Å; E447-Y450 VanDerWaalsContact CD-CE2 3.48Å; E447-Y450 HydrophobicContact CG-CD2 4.36Å; E447-Y450 HydrophobicContact CG-CE2 4.31Å; E447-Y450 WeakPolarHBondContact OE2-CE2 3.39Å; E447-V451 WeakPolarHBondContact O-CG2 3.32Å; E447-V451 PolarHBondContact O-N 2.96Å
448	G	78.8	Confident	87	Confident	39 Å²	39	32 Å²	32	40%	0.402	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-29.2	-172.9	0	0	0	0	0	115.1	V451 K452	G448-V451 PolarHBondContact O-N 3.45Å; G448-K452 WeakPolarHBondContact O-CG 3.28Å; G448-K452 PolarHBondContact O-N 3.28Å; G448-K452 VanDerWaalsContact O-N 3.11Å
449	D	80	Confident	86.9	Confident	97 Å²	97	33.9 Å²	33.9	52%	0.519	19%	0.193	S	C	.	.	H	α-helix	trans	-74.9	-39.1	-176	-67.1	-26.5	0	0	0	112.7	E447 V451 K452 I453	E447-D449 VanDerWaalsContact C-N 3.31Å; E447-D449 PolarHBondContact O-N 3.46Å; D449-V451 VanDerWaalsContact C-N 3.31Å; D449-V451 PolarHBondContact O-N 3.46Å; D449-K452 PolarHBondContact O-N 3.3Å; D449-K452 IonicContact OD1-NZ 2.75Å; D449-K452 PolarHBondContact OD1-NZ 3.2Å; D449-I453 PolarHBondContact O-N 2.86Å
450	Y	82.6	Confident	86.9	Confident	15 Å²	15	32.4 Å²	32.4	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-39.5	171.7	-59.7	-69.6	0	0	0	111.5	E447 K452 I453 V454 S508 I509 R887 L889	E447-Y450 HydrophobicContact CB-CD2 3.57Å; E447-Y450 HydrophobicContact CB-CE2 3.99Å; E447-Y450 VanDerWaalsContact CD-CE2 3.48Å; E447-Y450 HydrophobicContact CG-CD2 4.36Å; E447-Y450 HydrophobicContact CG-CE2 4.31Å; E447-Y450 WeakPolarHBondContact OE2-CE2 3.39Å; Y450-K452 VanDerWaalsContact C-N 3.34Å; Y450-K452 PolarHBondContact O-N 3.41Å; Y450-I453 PolarHBondContact O-N 3.05Å; Y450-V454 PolarHBondContact O-N 3.47Å; Y450-S508 WeakPolarHBondContact CD1-OG 3.38Å; Y450-I509 HydrophobicContact CG-CG1 4.39Å; Y450-R887 HydrophobicContact CE1-CB 4.4Å; Y450-R887 WeakPolarHBondContact OH-CB 3.38Å; Y450-L889 HydrophobicContact CD1-CD2 3.21Å; Y450-L889 HydrophobicContact CD1-CG 4.41Å; Y450-L889 HydrophobicContact CE1-CD2 3.25Å; Y450-L889 HydrophobicContact CE1-CG 4.09Å; Y450-L889 HydrophobicContact CG-CD2 4.32Å
451	V	85.2	Confident	87.2	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-41.5	179.1	174.1	0	0	0	0	111.5	A279 C442 C445 E447 G448 D449 I453 V454 N455	A279-V451 HydrophobicContact CB-CB 4.13Å; A279-V451 HydrophobicContact CB-CG1 3.57Å; A279-V451 HydrophobicContact CB-CG2 4.22Å; C442-V451 HydrophobicContact CB-CG1 4.04Å; C442-V451 HydrophobicContact CB-CG2 4.29Å; C445-V451 HydrophobicContact CB-CG2 3.72Å; E447-V451 WeakPolarHBondContact O-CG2 3.32Å; E447-V451 PolarHBondContact O-N 2.96Å; G448-V451 PolarHBondContact O-N 3.45Å; D449-V451 VanDerWaalsContact C-N 3.31Å; D449-V451 PolarHBondContact O-N 3.46Å; V451-I453 VanDerWaalsContact C-N 3.29Å; V451-I453 PolarHBondContact O-N 3.34Å; V451-V454 PolarHBondContact O-N 3.49Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.36Å; V451-N455 WeakPolarHBondContact O-CB 3.44Å; V451-N455 PolarHBondContact O-N 3.19Å; V451-N455 PolarHBondContact O-ND2 2.92Å
452	K	82	Confident	87.4	Confident	59 Å²	59	37.1 Å²	37.1	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-42.6	175.4	-71.3	168.4	-168.4	164.1	0	111.9	G448 D449 Y450 Y456	G448-K452 WeakPolarHBondContact O-CG 3.28Å; G448-K452 PolarHBondContact O-N 3.28Å; G448-K452 VanDerWaalsContact O-N 3.11Å; D449-K452 PolarHBondContact O-N 3.3Å; D449-K452 IonicContact OD1-NZ 2.75Å; D449-K452 PolarHBondContact OD1-NZ 3.2Å; Y450-K452 VanDerWaalsContact C-N 3.34Å; Y450-K452 PolarHBondContact O-N 3.41Å; K452-Y456 WeakPolarHBondContact O-CB 3.48Å; K452-Y456 PolarHBondContact O-N 3.44Å
453	I	85.2	Confident	87.5	Confident	22 Å²	22	40 Å²	40	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-44.1	-177.8	-66.7	166.1	0	0	0	110.8	D449 Y450 V451 Y456 A457 A505 L889 P891 I892	D449-I453 PolarHBondContact O-N 2.86Å; Y450-I453 PolarHBondContact O-N 3.05Å; V451-I453 VanDerWaalsContact C-N 3.29Å; V451-I453 PolarHBondContact O-N 3.34Å; I453-Y456 PolarHBondContact O-N 3.31Å; I453-A457 WeakPolarHBondContact O-CB 3.43Å; I453-A457 PolarHBondContact O-N 2.85Å; I453-A505 HydrophobicContact CG2-CB 3.8Å; I453-L889 HydrophobicContact CD1-CB 4.39Å; I453-L889 HydrophobicContact CD1-CD1 3.69Å; I453-L889 HydrophobicContact CD1-CD2 3.48Å; I453-L889 VanDerWaalsContact CD1-CD2 3.48Å; I453-L889 HydrophobicContact CD1-CG 4.06Å; I453-P891 HydrophobicContact CD1-CB 4.3Å; I453-P891 HydrophobicContact CG2-CB 3.51Å; I453-P891 HydrophobicContact CG2-CG 3.86Å; I453-I892 HydrophobicContact CD1-CG1 4.5Å
454	V	90.1	Very high	87.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.3	173.4	0	0	0	0	111	A438 C442 Y450 V451 Y456 A457 A458 L502 A505 V506 I509	A438-V454 HydrophobicContact CB-CG1 3.78Å; C442-V454 WeakPolarHBondContact SG-CG1 3.47Å; Y450-V454 PolarHBondContact O-N 3.47Å; V451-V454 PolarHBondContact O-N 3.49Å; V454-Y456 VanDerWaalsContact C-N 3.33Å; V454-Y456 PolarHBondContact O-N 2.91Å; V454-A457 PolarHBondContact O-N 3.24Å; V454-A458 WeakPolarHBondContact O-CB 3.35Å; V454-A458 PolarHBondContact O-N 3.43Å; V454-L502 HydrophobicContact CG1-CD1 4.38Å; V454-A505 HydrophobicContact CB-CB 4.47Å; V454-A505 HydrophobicContact CG2-CB 3.63Å; V454-A505 WeakPolarHBondContact CG2-O 3.38Å; V454-V506 HydrophobicContact CG1-CG2 4.35Å; V454-I509 HydrophobicContact CB-CD1 4.37Å; V454-I509 HydrophobicContact CG2-CD1 3.55Å; V454-I509 HydrophobicContact CG2-CG1 4.33Å
455	N	88.2	Confident	88.4	Confident	28 Å²	28	35.7 Å²	35.7	15%	0.15	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-42.3	177.7	-70.4	-22.3	0	0	0	111.8	L275 G277 V451 M459	L275-N455 PolarHBondContact O-ND2 3.26Å; G277-N455 PolarHBondContact N-ND2 3.16Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.36Å; V451-N455 WeakPolarHBondContact O-CB 3.44Å; V451-N455 PolarHBondContact O-N 3.19Å; V451-N455 PolarHBondContact O-ND2 2.92Å; N455-M459 VanDerWaalsContact O-CB 3.25Å; N455-M459 WeakPolarHBondContact O-CB 3.48Å; N455-M459 PolarHBondContact O-N 3.18Å
456	Y	86.1	Confident	89	Confident	35 Å²	35	37.8 Å²	37.8	14%	0.137	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-52.4	175.4	176.7	-96.8	0	0	0	111.2	A214 L275 K452 I453 V454 A458 M459 Q460	A214-Y456 HydrophobicContact CB-CE2 4.43Å; L275-Y456 HydrophobicContact CD2-CD2 4.19Å; L275-Y456 HydrophobicContact CD2-CG 4.48Å; K452-Y456 WeakPolarHBondContact O-CB 3.48Å; K452-Y456 PolarHBondContact O-N 3.44Å; I453-Y456 PolarHBondContact O-N 3.31Å; V454-Y456 VanDerWaalsContact C-N 3.33Å; V454-Y456 PolarHBondContact O-N 2.91Å; Y456-A458 VanDerWaalsContact C-N 3.34Å; Y456-A458 PolarHBondContact O-N 3.29Å; Y456-M459 HydrophobicContact CD2-CE 3.92Å; Y456-M459 HydrophobicContact CE2-CE 4.27Å; Y456-M459 WeakPolarHBondContact O-CB 3.37Å; Y456-M459 PolarHBondContact O-N 3.05Å; Y456-Q460 HydrophobicContact CD1-CG 4.28Å; Y456-Q460 HydrophobicContact CE1-CG 3.89Å; Y456-Q460 HydrophobicContact CE2-CG 4.44Å; Y456-Q460 WeakPolarHBondContact O-CG 3.42Å; Y456-Q460 PolarHBondContact O-N 3.45Å
457	A	91.3	Very high	89.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-42.6	-179.5	0	0	0	0	0	111.8	I453 V454 M459 Q460 V461 L501 L502	I453-A457 WeakPolarHBondContact O-CB 3.43Å; I453-A457 PolarHBondContact O-N 2.85Å; V454-A457 PolarHBondContact O-N 3.24Å; A457-M459 PolarHBondContact O-N 3.02Å; A457-Q460 WeakPolarHBondContact O-CB 3.35Å; A457-Q460 PolarHBondContact O-N 3.45Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; A457-V461 WeakPolarHBondContact O-CG2 3.38Å; A457-V461 PolarHBondContact O-N 3.13Å; A457-L501 HydrophobicContact CB-CD2 4.27Å; A457-L501 HydrophobicContact CB-CG 4.08Å; A457-L502 HydrophobicContact CB-CB 4.03Å; A457-L502 HydrophobicContact CB-CD1 3.9Å
458	A	93.8	Very high	90.7	Very high	9 Å²	9	30.3 Å²	30.3	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-43.8	177.1	0	0	0	0	0	111.5	V435 A438 V454 Y456 Q460 V461 E462 L502	V435-A458 HydrophobicContact CG1-CB 4.37Å; V435-A458 HydrophobicContact CG2-CB 4.5Å; A438-A458 HydrophobicContact CB-CB 4.26Å; V454-A458 WeakPolarHBondContact O-CB 3.35Å; V454-A458 PolarHBondContact O-N 3.43Å; Y456-A458 VanDerWaalsContact C-N 3.34Å; Y456-A458 PolarHBondContact O-N 3.29Å; A458-Q460 VanDerWaalsContact C-N 3.3Å; A458-Q460 PolarHBondContact O-N 2.85Å; A458-V461 PolarHBondContact O-N 3Å; A458-E462 WeakPolarHBondContact O-CB 3.44Å; A458-E462 PolarHBondContact O-N 3.17Å; A458-L502 HydrophobicContact CB-CD1 4.02Å
459	M	91.5	Very high	91.7	Very high	41 Å²	41	28.6 Å²	28.6	20%	0.202	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-37.6	174.4	179.5	-166.4	60.3	0	0	112	N455 Y456 A457 K463	N455-M459 VanDerWaalsContact O-CB 3.25Å; N455-M459 WeakPolarHBondContact O-CB 3.48Å; N455-M459 PolarHBondContact O-N 3.18Å; Y456-M459 HydrophobicContact CD2-CE 3.92Å; Y456-M459 HydrophobicContact CE2-CE 4.27Å; Y456-M459 WeakPolarHBondContact O-CB 3.37Å; Y456-M459 PolarHBondContact O-N 3.05Å; A457-M459 PolarHBondContact O-N 3.02Å; M459-K463 HydrophobicContact CG-CD 4.13Å; M459-K463 WeakPolarHBondContact O-CB 3.22Å; M459-K463 WeakPolarHBondContact O-CG 3.43Å; M459-K463 PolarHBondContact O-N 3.22Å; M459-K463 VanDerWaalsContact O-N 3.09Å; M459-K463 PolarHBondContact SD-NZ 3.39Å
460	Q	92	Very high	92.5	Very high	17 Å²	17	24.2 Å²	24.2	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-43.6	176.3	-65.3	-57.1	-35.8	0	0	111.5	Y456 A457 A458 L464 R498	Y456-Q460 HydrophobicContact CD1-CG 4.28Å; Y456-Q460 HydrophobicContact CE1-CG 3.89Å; Y456-Q460 HydrophobicContact CE2-CG 4.44Å; Y456-Q460 WeakPolarHBondContact O-CG 3.42Å; Y456-Q460 PolarHBondContact O-N 3.45Å; A457-Q460 WeakPolarHBondContact O-CB 3.35Å; A457-Q460 PolarHBondContact O-N 3.45Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; A458-Q460 VanDerWaalsContact C-N 3.3Å; A458-Q460 PolarHBondContact O-N 2.85Å; Q460-L464 VanDerWaalsContact O-CB 3.3Å; Q460-L464 WeakPolarHBondContact O-CB 3.25Å; Q460-L464 PolarHBondContact O-N 3.44Å; Q460-R498 HydrophobicContact CB-CG 4.08Å
461	V	96	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-49.7	175.6	170.3	0	0	0	0	110.5	V435 A457 A458 K463 L464 A465 W495 R498 V499 L502	V435-V461 HydrophobicContact CG2-CB 4.45Å; V435-V461 HydrophobicContact CG2-CG1 4.14Å; A457-V461 WeakPolarHBondContact O-CG2 3.38Å; A457-V461 PolarHBondContact O-N 3.13Å; A458-V461 PolarHBondContact O-N 3Å; V461-K463 VanDerWaalsContact C-N 3.35Å; V461-K463 PolarHBondContact O-N 3.48Å; V461-L464 PolarHBondContact O-N 2.9Å; V461-A465 PolarHBondContact O-N 3.23Å; V461-W495 HydrophobicContact CG1-CH2 3.54Å; V461-W495 HydrophobicContact CG1-CZ2 4.47Å; V461-W495 HydrophobicContact CG1-CZ3 3.74Å; V461-W495 WeakPolarHBondContact O-CZ3 3.45Å; V461-R498 HydrophobicContact CG2-CB 4.06Å; V461-V499 HydrophobicContact CG2-CG2 4.21Å; V461-L502 HydrophobicContact CB-CD2 4.42Å; V461-L502 HydrophobicContact CG2-CB 4.24Å; V461-L502 HydrophobicContact CG2-CD2 3.97Å
462	E	96	Very high	94	Very high	124 Å²	124	23.3 Å²	23.3	58%	0.579	12%	0.115	S	C	*	.	H	α-helix	trans	-58	-44	-180	-173	179.5	-160.3	0	0	112.4	V435 A458 P466	V435-E462 HydrophobicContact CG2-CB 4.2Å; A458-E462 WeakPolarHBondContact O-CB 3.44Å; A458-E462 PolarHBondContact O-N 3.17Å; E462-P466 VanDerWaalsContact O-CD 3.26Å; E462-P466 WeakPolarHBondContact O-CD 3.36Å
463	K	95.1	Very high	94.8	Very high	65 Å²	65	24.1 Å²	24.1	28%	0.283	12%	0.116	S	C	.	.	H	α-helix	trans	-69.7	-35.2	178.6	-75.4	174.2	179.4	166.4	0	113.2	F248 M459 V461	F248-K463 HydrophobicContact CE2-CB 4.27Å; F248-K463 HydrophobicContact CZ-CB 4.41Å; M459-K463 HydrophobicContact CG-CD 4.13Å; M459-K463 WeakPolarHBondContact O-CB 3.22Å; M459-K463 WeakPolarHBondContact O-CG 3.43Å; M459-K463 PolarHBondContact O-N 3.22Å; M459-K463 VanDerWaalsContact O-N 3.09Å; M459-K463 PolarHBondContact SD-NZ 3.39Å; V461-K463 VanDerWaalsContact C-N 3.35Å; V461-K463 PolarHBondContact O-N 3.48Å
464	L	97.3	Very high	95.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-81.9	-33.3	-175.2	-172	66	0	0	0	112.6	M225 F248 Q460 V461 Q467 V468 F491 A494 W495	M225-L464 HydrophobicContact CE-CD1 4.41Å; M225-L464 HydrophobicContact SD-CD1 3.73Å; F248-L464 HydrophobicContact CE1-CD1 4.33Å; Q460-L464 VanDerWaalsContact O-CB 3.3Å; Q460-L464 WeakPolarHBondContact O-CB 3.25Å; Q460-L464 PolarHBondContact O-N 3.44Å; V461-L464 PolarHBondContact O-N 2.9Å; L464-Q467 HydrophobicContact CD1-CB 4.23Å; L464-Q467 WeakPolarHBondContact O-CA 3.14Å; L464-Q467 VanDerWaalsContact O-CB 3.31Å; L464-Q467 WeakPolarHBondContact O-CB 3.29Å; L464-Q467 PolarHBondContact O-N 2.86Å; L464-V468 HydrophobicContact CG-CG2 4.07Å; L464-V468 PolarHBondContact O-N 2.96Å; L464-F491 HydrophobicContact CD1-CD1 3.78Å; L464-F491 HydrophobicContact CD1-CE1 3.97Å; L464-A494 HydrophobicContact CD2-CB 3.91Å; L464-W495 HydrophobicContact CB-CE3 4.44Å; L464-W495 HydrophobicContact CD2-CB 4.06Å; L464-W495 HydrophobicContact CD2-CE3 4.3Å; L464-W495 HydrophobicContact CG-CE3 4.39Å
465	A	98.3	Very high	95.8	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-46.8	-52.9	-178.3	0	0	0	0	0	114.5	F427 L428 A431 V461 Q467 V468 V469 W495	F427-A465 HydrophobicContact CE1-CB 4.21Å; L428-A465 HydrophobicContact CD2-CB 4.01Å; A431-A465 HydrophobicContact CB-CB 3.75Å; V461-A465 PolarHBondContact O-N 3.23Å; A465-Q467 PolarHBondContact O-N 3.44Å; A465-V468 PolarHBondContact O-N 2.87Å; A465-V469 PolarHBondContact O-N 3.33Å; A465-W495 HydrophobicContact CB-CH2 4.04Å; A465-W495 HydrophobicContact CB-CZ3 3.66Å
466	P	98.4	Very high	96.3	Very high	54 Å²	54	22.3 Å²	22.3	35%	0.351	11%	0.108	S	C	.	.	H	α-helix	trans	-63.6	-25.7	177.6	25.1	-35	0	0	0	113.2	E462 V469 N470	E462-P466 VanDerWaalsContact O-CD 3.26Å; E462-P466 WeakPolarHBondContact O-CD 3.36Å; P466-V469 PolarHBondContact O-N 2.74Å; P466-N470 VanDerWaalsContact O-CG 3.3Å; P466-N470 PolarHBondContact O-N 3.35Å; P466-N470 PolarHBondContact O-ND2 2.79Å
467	Q	98.5	Very high	96.8	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-77.5	-34.1	179.6	-49	-52.1	-35.3	0	0	112.5	N245 F248 L464 A465 V469 N470 A471 F491	N245-Q467 PolarHBondContact ND2-O 3.45Å; N245-Q467 PolarHBondContact ND2-OE1 2.93Å; F248-Q467 HydrophobicContact CB-CG 4.26Å; F248-Q467 HydrophobicContact CD1-CB 4.46Å; F248-Q467 HydrophobicContact CD1-CG 3.69Å; F248-Q467 HydrophobicContact CD2-CG 3.78Å; F248-Q467 HydrophobicContact CE1-CG 3.89Å; F248-Q467 HydrophobicContact CE2-CG 3.96Å; F248-Q467 HydrophobicContact CG-CG 3.63Å; F248-Q467 HydrophobicContact CZ-CG 4.01Å; L464-Q467 HydrophobicContact CD1-CB 4.23Å; L464-Q467 WeakPolarHBondContact O-CA 3.14Å; L464-Q467 VanDerWaalsContact O-CB 3.31Å; L464-Q467 WeakPolarHBondContact O-CB 3.29Å; L464-Q467 PolarHBondContact O-N 2.86Å; A465-Q467 PolarHBondContact O-N 3.44Å; Q467-V469 VanDerWaalsContact C-N 3.31Å; Q467-N470 WeakPolarHBondContact O-CB 3.41Å; Q467-N470 PolarHBondContact O-N 2.77Å; Q467-N470 PolarHBondContact OE1-ND2 2.97Å; Q467-A471 PolarHBondContact O-N 3.47Å; Q467-F491 HydrophobicContact CB-CD1 3.89Å; Q467-F491 HydrophobicContact CB-CE1 3.51Å; Q467-F491 HydrophobicContact CB-CZ 4.48Å; Q467-F491 HydrophobicContact CG-CE1 4.49Å
468	V	98.7	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-43.5	170.2	180	0	0	0	0	110.1	L405 L408 F427 L464 A465 N470 A471 A472 M488 W495	L405-V468 HydrophobicContact CD1-CG1 3.56Å; L408-V468 HydrophobicContact CD2-CG1 4.32Å; F427-V468 HydrophobicContact CE1-CB 3.9Å; F427-V468 HydrophobicContact CE1-CG1 4.03Å; F427-V468 HydrophobicContact CE2-CG1 4.3Å; F427-V468 HydrophobicContact CZ-CB 3.87Å; F427-V468 HydrophobicContact CZ-CG1 3.72Å; F427-V468 HydrophobicContact CZ-CG2 4.18Å; L464-V468 HydrophobicContact CG-CG2 4.07Å; L464-V468 PolarHBondContact O-N 2.96Å; A465-V468 PolarHBondContact O-N 2.87Å; V468-N470 VanDerWaalsContact C-N 3.33Å; V468-N470 PolarHBondContact O-N 3.06Å; V468-A471 WeakPolarHBondContact O-CB 3.29Å; V468-A471 PolarHBondContact O-N 3Å; V468-A472 PolarHBondContact O-N 2.89Å; V468-M488 HydrophobicContact CG1-CE 3.79Å; V468-W495 HydrophobicContact CG2-CB 3.89Å; V468-W495 HydrophobicContact CG2-CD2 4.22Å; V468-W495 HydrophobicContact CG2-CE3 3.97Å; V468-W495 HydrophobicContact CG2-CG 4.21Å
469	V	98.7	Very high	97.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-42.1	174.5	171.4	0	0	0	0	111.5	L408 A424 F427 L428 A465 P466 Q467 A471 A472 R473	L408-V469 HydrophobicContact CD2-CG2 4.37Å; A424-V469 HydrophobicContact CB-CB 4.48Å; A424-V469 HydrophobicContact CB-CG1 3.7Å; A424-V469 HydrophobicContact CB-CG2 4.03Å; F427-V469 HydrophobicContact CD1-CG2 3.76Å; F427-V469 HydrophobicContact CE1-CG2 4.22Å; L428-V469 HydrophobicContact CD1-CG2 4.14Å; L428-V469 HydrophobicContact CD2-CG2 3.87Å; L428-V469 HydrophobicContact CG-CG2 3.81Å; A465-V469 PolarHBondContact O-N 3.33Å; P466-V469 PolarHBondContact O-N 2.74Å; Q467-V469 VanDerWaalsContact C-N 3.31Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 3.28Å; V469-A472 PolarHBondContact O-N 3.13Å; V469-R473 HydrophobicContact CG1-CG 4.36Å; V469-R473 WeakPolarHBondContact O-CB 3.27Å; V469-R473 WeakPolarHBondContact O-CG 3.35Å; V469-R473 PolarHBondContact O-N 3.48Å
470	N	98.6	Very high	97.5	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-40.9	175.2	-75.7	-22.7	0	0	0	112.5	P241 Q244 N245 P466 Q467 V468 A472 R473 L474	P241-N470 HydrophobicContact CB-CB 3.99Å; P241-N470 VanDerWaalsContact CB-O 3.25Å; P241-N470 WeakPolarHBondContact CB-O 3.07Å; Q244-N470 PolarHBondContact OE1-ND2 2.97Å; Q244-N470 PolarHBondContact OE1-OD1 3.3Å; N245-N470 VanDerWaalsContact ND2-CB 3.3Å; N245-N470 WeakPolarHBondContact ND2-CB 3.48Å; P466-N470 VanDerWaalsContact O-CG 3.3Å; P466-N470 PolarHBondContact O-N 3.35Å; P466-N470 PolarHBondContact O-ND2 2.79Å; Q467-N470 WeakPolarHBondContact O-CB 3.41Å; Q467-N470 PolarHBondContact O-N 2.77Å; Q467-N470 PolarHBondContact OE1-ND2 2.97Å; V468-N470 VanDerWaalsContact C-N 3.33Å; V468-N470 PolarHBondContact O-N 3.06Å; N470-A472 VanDerWaalsContact C-N 3.33Å; N470-A472 PolarHBondContact O-N 2.73Å; N470-R473 PolarHBondContact O-N 3.34Å; N470-L474 WeakPolarHBondContact O-CB 3.36Å; N470-L474 PolarHBondContact O-N 3.03Å
471	A	98.7	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-41.2	175	0	0	0	0	0	111.2	N245 Q467 V468 V469 L474 L475 M488 F491	N245-A471 WeakPolarHBondContact OD1-CA 3.48Å; N245-A471 PolarHBondContact OD1-N 2.88Å; Q467-A471 PolarHBondContact O-N 3.47Å; V468-A471 WeakPolarHBondContact O-CB 3.29Å; V468-A471 PolarHBondContact O-N 3Å; V469-A471 VanDerWaalsContact C-N 3.34Å; V469-A471 PolarHBondContact O-N 3.28Å; A471-L474 PolarHBondContact O-N 2.77Å; A471-L475 WeakPolarHBondContact O-CB 3.48Å; A471-L475 PolarHBondContact O-N 2.81Å; A471-M488 VanDerWaalsContact C-SD 3.52Å; A471-M488 HydrophobicContact CB-CE 4.22Å; A471-M488 HydrophobicContact CB-SD 3.77Å; A471-F491 HydrophobicContact CB-CB 3.94Å; A471-F491 HydrophobicContact CB-CD2 4.1Å; A471-F491 HydrophobicContact CB-CG 4.05Å
472	A	98.7	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-42.5	176.5	0	0	0	0	0	112.3	L408 A412 T420 V468 V469 N470 L474 L475 A476 M488	L408-A472 HydrophobicContact CD1-CB 3.67Å; L408-A472 HydrophobicContact CD2-CB 3.93Å; L408-A472 HydrophobicContact CG-CB 3.62Å; A412-A472 HydrophobicContact CB-CB 4.21Å; A412-A472 WeakPolarHBondContact CB-O 3.46Å; T420-A472 HydrophobicContact CG2-CB 4.26Å; V468-A472 PolarHBondContact O-N 2.89Å; V469-A472 PolarHBondContact O-N 3.13Å; N470-A472 VanDerWaalsContact C-N 3.33Å; N470-A472 PolarHBondContact O-N 2.73Å; A472-L474 VanDerWaalsContact C-N 3.35Å; A472-L474 PolarHBondContact O-N 2.69Å; A472-L475 PolarHBondContact O-N 3.33Å; A472-A476 WeakPolarHBondContact O-CB 3.43Å; A472-A476 PolarHBondContact O-N 2.99Å; A472-M488 VanDerWaalsContact CA-SD 3.51Å; A472-M488 HydrophobicContact CB-SD 3.89Å; A472-M488 PolarHBondContact N-SD 2.82Å
473	R	98.6	Very high	97.9	Very high	75 Å²	75	37.1 Å²	37.1	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-62.4	-40.7	174.9	-74.3	173	175.3	157.7	-1.4	112.1	P241 E421 V469 N470 A476 A477	P241-R473 HydrophobicContact CB-CB 4.24Å; P241-R473 HydrophobicContact CG-CB 3.93Å; E421-R473 VanDerWaalsContact CD-NH2 3.3Å; E421-R473 IonicContact OE1-CZ 2.61Å; E421-R473 IonicContact OE1-NH2 3.83Å; E421-R473 PolarHBondContact OE1-NH2 3.26Å; E421-R473 IonicContact OE2-CZ 3.01Å; E421-R473 VanDerWaalsContact OE2-CZ 3.32Å; E421-R473 IonicContact OE2-NE 3.62Å; E421-R473 PolarHBondContact OE2-NE 3.28Å; E421-R473 IonicContact OE2-NH2 3.85Å; E421-R473 PolarHBondContact OE2-NH2 3.26Å; V469-R473 HydrophobicContact CG1-CG 4.36Å; V469-R473 WeakPolarHBondContact O-CB 3.27Å; V469-R473 WeakPolarHBondContact O-CG 3.35Å; V469-R473 PolarHBondContact O-N 3.48Å; N470-R473 PolarHBondContact O-N 3.34Å; R473-A476 PolarHBondContact O-N 2.96Å; R473-A477 WeakPolarHBondContact O-CB 3.46Å; R473-A477 PolarHBondContact O-N 3.46Å
474	L	98.6	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-46.9	172.3	167.2	62.7	0	0	0	111.1	A232 H236 I239 P241 A242 N470 A471 A472 A477 R478 A484 N487	A232-L474 HydrophobicContact CB-CD2 3.69Å; H236-L474 HydrophobicContact CB-CD1 4.45Å; I239-L474 HydrophobicContact CB-CD1 4.21Å; I239-L474 HydrophobicContact CD1-CD1 3.81Å; I239-L474 HydrophobicContact CG2-CB 4.49Å; I239-L474 HydrophobicContact CG2-CD1 3.85Å; P241-L474 HydrophobicContact CB-CB 4.41Å; A242-L474 HydrophobicContact CB-CD1 4.05Å; A242-L474 HydrophobicContact CB-CD2 3.95Å; N470-L474 WeakPolarHBondContact O-CB 3.36Å; N470-L474 PolarHBondContact O-N 3.03Å; A471-L474 PolarHBondContact O-N 2.77Å; A472-L474 VanDerWaalsContact C-N 3.35Å; A472-L474 PolarHBondContact O-N 2.69Å; L474-A477 PolarHBondContact O-N 3.37Å; L474-R478 PolarHBondContact O-N 3.23Å; L474-A484 HydrophobicContact CD1-CB 4.38Å; L474-A484 HydrophobicContact CD2-CB 4.32Å; L474-A484 HydrophobicContact CG-CB 3.99Å; L474-N487 HydrophobicContact CD2-CB 4.44Å
475	L	98.6	Very high	98.1	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-45.6	178.4	179.9	63.3	0	0	0	110.9	A412 A471 A472 A477 R478 H479 A484 Q485 M488	A412-L475 HydrophobicContact CB-CB 4.14Å; A412-L475 HydrophobicContact CB-CD2 3.99Å; A412-L475 HydrophobicContact CB-CG 4.12Å; A471-L475 WeakPolarHBondContact O-CB 3.48Å; A471-L475 PolarHBondContact O-N 2.81Å; A472-L475 PolarHBondContact O-N 3.33Å; L475-A477 VanDerWaalsContact C-N 3.32Å; L475-A477 PolarHBondContact O-N 3.34Å; L475-R478 CarbonylContact O-C 3.58Å; L475-R478 PolarHBondContact O-N 3.47Å; L475-R478 VanDerWaalsContact O-N 3.13Å; L475-H479 WeakPolarHBondContact O-CA 3.34Å; L475-H479 WeakPolarHBondContact O-CB 3.34Å; L475-H479 PolarHBondContact O-N 3.05Å; L475-A484 HydrophobicContact CD1-CB 4.43Å; L475-Q485 HydrophobicContact CD1-CB 4.44Å; L475-Q485 HydrophobicContact CD1-CG 3.67Å; L475-M488 HydrophobicContact CB-CB 4.41Å; L475-M488 HydrophobicContact CD2-CB 3.88Å; L475-M488 HydrophobicContact CD2-CG 3.75Å
476	A	98.1	Very high	98.1	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-42.6	176.9	0	0	0	0	0	112.3	A412 G415 M417 T420 A472 R473 R478	A412-A476 HydrophobicContact CB-CB 4.15Å; A412-A476 WeakPolarHBondContact O-CA 3.17Å; G415-A476 WeakPolarHBondContact CA-O 3.26Å; M417-A476 HydrophobicContact CG-CB 4.45Å; M417-A476 VanDerWaalsContact SD-C 3.59Å; M417-A476 HydrophobicContact SD-CB 3.39Å; M417-A476 WeakPolarHBondContact SD-CB 3.32Å; T420-A476 HydrophobicContact CG2-CB 4.04Å; A472-A476 WeakPolarHBondContact O-CB 3.43Å; A472-A476 PolarHBondContact O-N 2.99Å; R473-A476 PolarHBondContact O-N 2.96Å; A476-R478 VanDerWaalsContact C-N 3.32Å; A476-R478 PolarHBondContact O-N 3.26Å
477	A	97.9	Very high	98.1	Very high	31 Å²	31	37.5 Å²	37.5	26%	0.256	17%	0.172	S	C	.	.	H	α-helix	trans	-70	-25.7	178.2	0	0	0	0	0	113.8	I239 M417 R473 L474 L475	I239-A477 HydrophobicContact CD1-CB 3.99Å; M417-A477 HydrophobicContact SD-CB 4.24Å; R473-A477 WeakPolarHBondContact O-CB 3.46Å; R473-A477 PolarHBondContact O-N 3.46Å; L474-A477 PolarHBondContact O-N 3.37Å; L475-A477 VanDerWaalsContact C-N 3.32Å; L475-A477 PolarHBondContact O-N 3.34Å
478	R	97.6	Very high	98.1	Very high	97 Å²	97	36.5 Å²	36.5	37%	0.366	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	52.8	-176	-64.2	-68.5	-177.1	-97.7	0.8	112	E238 I239 L474 L475 A476 K480 S481 A484	E238-R478 IonicContact OE1-CZ 2.68Å; E238-R478 IonicContact OE1-NE 3.65Å; E238-R478 PolarHBondContact OE1-NE 2.92Å; E238-R478 IonicContact OE1-NH2 2.59Å; E238-R478 PolarHBondContact OE1-NH2 2.91Å; I239-R478 HydrophobicContact CD1-CB 4.45Å; I239-R478 HydrophobicContact CD1-CG 3.29Å; L474-R478 PolarHBondContact O-N 3.23Å; L475-R478 CarbonylContact O-C 3.58Å; L475-R478 PolarHBondContact O-N 3.47Å; L475-R478 VanDerWaalsContact O-N 3.13Å; A476-R478 VanDerWaalsContact C-N 3.32Å; A476-R478 PolarHBondContact O-N 3.26Å; R478-K480 PolarHBondContact O-N 3.41Å; R478-S481 WeakPolarHBondContact O-CB 3.35Å; R478-S481 PolarHBondContact O-N 2.94Å; R478-A484 HydrophobicContact CB-CB 4.41Å
479	H	95.9	Very high	98.1	Very high	68 Å²	68	40.4 Å²	40.4	32%	0.315	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.9	-168.9	69.5	104.6	0	0	0	115.3	L475 Q485	L475-H479 WeakPolarHBondContact O-CA 3.34Å; L475-H479 WeakPolarHBondContact O-CB 3.34Å; L475-H479 PolarHBondContact O-N 3.05Å; H479-Q485 PolarHBondContact O-NE2 3.28Å
480	K	96.9	Very high	98.1	Very high	175 Å²	175	40.9 Å²	40.9	76%	0.761	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.2	174.7	-58.6	-175.8	-177.5	178.7	0	114.2	R478 K482	R478-K480 PolarHBondContact O-N 3.41Å; K480-K482 PolarHBondContact O-N 3.15Å
481	S	97.7	Very high	98	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	19%	0.191	C	C	.	.			trans	-82.6	115.7	-175.7	171.6	0	0	0	0	111.2	H236 R478 P483 A484 Q485	H236-S481 VanDerWaalsContact NE2-CB 3.26Å; H236-S481 WeakPolarHBondContact NE2-CB 3.29Å; H236-S481 PolarHBondContact NE2-OG 3.49Å; R478-S481 WeakPolarHBondContact O-CB 3.35Å; R478-S481 PolarHBondContact O-N 2.94Å; S481-P483 WeakPolarHBondContact OG-CD 3.42Å; S481-A484 WeakPolarHBondContact O-CA 3.5Å; S481-A484 WeakPolarHBondContact O-CB 3.4Å; S481-A484 PolarHBondContact O-N 3.19Å; S481-Q485 PolarHBondContact O-N 3.42Å
482	K	97.8	Very high	98	Very high	140 Å²	140	43.4 Å²	43.4	61%	0.609	20%	0.203	S	C	*	.	H	α-helix	trans	-53.6	-46.7	175.4	-176.6	175.4	-174.6	178.3	0	113.7	K480 A484 Q485 E486	K480-K482 PolarHBondContact O-N 3.15Å; K482-A484 PolarHBondContact O-N 3.48Å; K482-Q485 PolarHBondContact O-N 3.12Å; K482-E486 WeakPolarHBondContact CE-OE1 3.39Å; K482-E486 HydrophobicContact CG-CG 4.29Å; K482-E486 WeakPolarHBondContact O-CG 3.42Å; K482-E486 PolarHBondContact O-N 3.06Å
483	P	97.5	Very high	98	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.078	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-27.3	173.3	-28.4	34.9	0	0	0	115.5	R235 S481 N487	R235-P483 HydrophobicContact CB-CB 4.35Å; R235-P483 HydrophobicContact CB-CG 4.27Å; R235-P483 HydrophobicContact CG-CG 4.21Å; S481-P483 WeakPolarHBondContact OG-CD 3.42Å; P483-N487 VanDerWaalsContact O-CB 3.31Å; P483-N487 WeakPolarHBondContact O-CB 3.41Å; P483-N487 PolarHBondContact O-N 2.91Å; P483-N487 VanDerWaalsContact O-N 3.15Å
484	A	98.1	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-78.7	-38.3	178.4	0	0	0	0	0	110.9	L474 L475 R478 S481 K482 N487 M488	L474-A484 HydrophobicContact CD1-CB 4.38Å; L474-A484 HydrophobicContact CD2-CB 4.32Å; L474-A484 HydrophobicContact CG-CB 3.99Å; L475-A484 HydrophobicContact CD1-CB 4.43Å; R478-A484 HydrophobicContact CB-CB 4.41Å; S481-A484 WeakPolarHBondContact O-CA 3.5Å; S481-A484 WeakPolarHBondContact O-CB 3.4Å; S481-A484 PolarHBondContact O-N 3.19Å; K482-A484 PolarHBondContact O-N 3.48Å; A484-N487 PolarHBondContact O-N 3.44Å; A484-M488 PolarHBondContact O-N 3.28Å
485	Q	98.5	Very high	97.8	Very high	81 Å²	81	46.3 Å²	46.3	38%	0.379	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-52	172.7	-66.6	169.2	-1.4	0	0	111	L475 H479 S481 K482 N487 M488 D489	L475-Q485 HydrophobicContact CD1-CB 4.44Å; L475-Q485 HydrophobicContact CD1-CG 3.67Å; H479-Q485 PolarHBondContact O-NE2 3.28Å; S481-Q485 PolarHBondContact O-N 3.42Å; K482-Q485 PolarHBondContact O-N 3.12Å; Q485-N487 PolarHBondContact O-N 3.11Å; Q485-M488 WeakPolarHBondContact O-CB 3.27Å; Q485-M488 PolarHBondContact O-N 3.35Å; Q485-D489 PolarHBondContact O-N 3.45Å
486	E	98.2	Very high	97.7	Very high	52 Å²	52	48.8 Å²	48.8	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-36.4	176.3	-69.6	172.6	178.4	0	0	112.1	T228 K231 K482 A490	T228-E486 HydrophobicContact CG2-CB 4.26Å; K231-E486 WeakPolarHBondContact CE-OE2 3.5Å; K231-E486 IonicContact NZ-OE1 2.77Å; K231-E486 IonicContact NZ-OE2 3.7Å; K231-E486 PolarHBondContact NZ-OE2 3.47Å; K482-E486 WeakPolarHBondContact CE-OE1 3.39Å; K482-E486 HydrophobicContact CG-CG 4.29Å; K482-E486 WeakPolarHBondContact O-CG 3.42Å; K482-E486 PolarHBondContact O-N 3.06Å; E486-A490 WeakPolarHBondContact O-CB 3.31Å; E486-A490 PolarHBondContact O-N 3.49Å; E486-A490 VanDerWaalsContact O-N 3.09Å
487	N	98.3	Very high	97.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66	-47.7	173.6	-172.4	74.1	0	0	0	111.9	A229 A232 N245 L474 P483 A484 Q485 D489 A490 F491	A229-N487 WeakPolarHBondContact CA-OD1 3.33Å; A229-N487 PolarHBondContact N-OD1 3.18Å; A232-N487 HydrophobicContact CB-CB 3.98Å; N245-N487 PolarHBondContact OD1-ND2 3.47Å; L474-N487 HydrophobicContact CD2-CB 4.44Å; P483-N487 VanDerWaalsContact O-CB 3.31Å; P483-N487 WeakPolarHBondContact O-CB 3.41Å; P483-N487 PolarHBondContact O-N 2.91Å; P483-N487 VanDerWaalsContact O-N 3.15Å; A484-N487 PolarHBondContact O-N 3.44Å; Q485-N487 PolarHBondContact O-N 3.11Å; N487-D489 VanDerWaalsContact C-N 3.3Å; N487-D489 PolarHBondContact O-N 2.97Å; N487-A490 PolarHBondContact O-N 2.84Å; N487-F491 VanDerWaalsContact O-CD2 3.29Å; N487-F491 WeakPolarHBondContact O-CD2 3.26Å; N487-F491 PolarHBondContact O-N 3.24Å; N487-F491 VanDerWaalsContact O-N 3.1Å; N487-F491 WeakPolarHBondContact OD1-CE2 3.48Å
488	M	98.6	Very high	97.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-45	176	-171	67.4	-120.6	0	0	111.7	I409 V468 A471 A472 L475 A484 Q485 A490 F491 K492	I409-M488 HydrophobicContact CD1-CE 3.88Å; I409-M488 HydrophobicContact CD1-CG 4.42Å; I409-M488 HydrophobicContact CG1-CE 3.69Å; I409-M488 HydrophobicContact CG1-CG 4.07Å; I409-M488 HydrophobicContact CG1-SD 4.16Å; I409-M488 HydrophobicContact CG2-CG 4.41Å; V468-M488 HydrophobicContact CG1-CE 3.79Å; A471-M488 VanDerWaalsContact C-SD 3.52Å; A471-M488 HydrophobicContact CB-CE 4.22Å; A471-M488 HydrophobicContact CB-SD 3.77Å; A472-M488 VanDerWaalsContact CA-SD 3.51Å; A472-M488 HydrophobicContact CB-SD 3.89Å; A472-M488 PolarHBondContact N-SD 2.82Å; L475-M488 HydrophobicContact CB-CB 4.41Å; L475-M488 HydrophobicContact CD2-CB 3.88Å; L475-M488 HydrophobicContact CD2-CG 3.75Å; A484-M488 PolarHBondContact O-N 3.28Å; Q485-M488 WeakPolarHBondContact O-CB 3.27Å; Q485-M488 PolarHBondContact O-N 3.35Å; M488-A490 PolarHBondContact O-N 3.23Å; M488-F491 PolarHBondContact O-N 3.03Å; M488-K492 VanDerWaalsContact O-CB 3.32Å; M488-K492 WeakPolarHBondContact O-CB 3.19Å; M488-K492 PolarHBondContact O-N 2.86Å
489	D	98.4	Very high	97.3	Very high	82 Å²	82	47.6 Å²	47.6	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-45.4	-179.7	-66.3	-29.9	0	0	0	111.6	Q485 N487 F491 K492 E493	Q485-D489 PolarHBondContact O-N 3.45Å; N487-D489 VanDerWaalsContact C-N 3.3Å; N487-D489 PolarHBondContact O-N 2.97Å; D489-F491 PolarHBondContact O-N 3.21Å; D489-K492 WeakPolarHBondContact O-CB 3.19Å; D489-K492 PolarHBondContact O-N 2.83Å; D489-E493 WeakPolarHBondContact O-CG 3.24Å; D489-E493 PolarHBondContact O-N 2.86Å
490	A	98.1	Very high	97.2	Very high	11 Å²	11	49.4 Å²	49.4	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-39.2	177.4	0	0	0	0	0	113.1	T228 E486 N487 M488 A494	T228-A490 HydrophobicContact CG2-CB 3.86Å; T228-A490 WeakPolarHBondContact OG1-CB 3.4Å; E486-A490 WeakPolarHBondContact O-CB 3.31Å; E486-A490 PolarHBondContact O-N 3.49Å; E486-A490 VanDerWaalsContact O-N 3.09Å; N487-A490 PolarHBondContact O-N 2.84Å; M488-A490 PolarHBondContact O-N 3.23Å; A490-A494 VanDerWaalsContact O-CB 3.3Å; A490-A494 WeakPolarHBondContact O-CB 3.48Å; A490-A494 PolarHBondContact O-N 3.34Å; A490-A494 VanDerWaalsContact O-N 3.09Å
491	F	98.4	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.9	-30.8	176.5	-84	-89.5	0	0	0	112.5	M225 A229 N245 L464 Q467 A471 N487 M488 D489 W495	M225-F491 HydrophobicContact CB-CE2 4.18Å; M225-F491 HydrophobicContact CB-CZ 4.12Å; M225-F491 HydrophobicContact CG-CD2 4.49Å; M225-F491 HydrophobicContact CG-CE1 4.43Å; M225-F491 HydrophobicContact CG-CE2 4.44Å; M225-F491 HydrophobicContact CG-CZ 4.41Å; M225-F491 HydrophobicContact SD-CD1 3.82Å; M225-F491 HydrophobicContact SD-CE1 3.73Å; M225-F491 HydrophobicContact SD-CG 4.36Å; M225-F491 HydrophobicContact SD-CZ 4.23Å; A229-F491 HydrophobicContact CB-CE2 4.32Å; N245-F491 HydrophobicContact CB-CE2 3.98Å; N245-F491 HydrophobicContact CB-CZ 3.8Å; L464-F491 HydrophobicContact CD1-CD1 3.78Å; L464-F491 HydrophobicContact CD1-CE1 3.97Å; Q467-F491 HydrophobicContact CB-CD1 3.89Å; Q467-F491 HydrophobicContact CB-CE1 3.51Å; Q467-F491 HydrophobicContact CB-CZ 4.48Å; Q467-F491 HydrophobicContact CG-CE1 4.49Å; A471-F491 HydrophobicContact CB-CB 3.94Å; A471-F491 HydrophobicContact CB-CD2 4.1Å; A471-F491 HydrophobicContact CB-CG 4.05Å; N487-F491 VanDerWaalsContact O-CD2 3.29Å; N487-F491 WeakPolarHBondContact O-CD2 3.26Å; N487-F491 PolarHBondContact O-N 3.24Å; N487-F491 VanDerWaalsContact O-N 3.1Å; N487-F491 WeakPolarHBondContact OD1-CE2 3.48Å; M488-F491 PolarHBondContact O-N 3.03Å; D489-F491 PolarHBondContact O-N 3.21Å; F491-W495 VanDerWaalsContact O-CB 3.28Å; F491-W495 WeakPolarHBondContact O-CB 3.23Å; F491-W495 PolarHBondContact O-N 3.45Å
492	K	98.2	Very high	96.8	Very high	58 Å²	58	41.6 Å²	41.6	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-63.5	-52.9	171.6	178.6	-159.6	170	-172	0	110.8	L405 I409 M488 D489 A494 W495 E496	L405-K492 HydrophobicContact CD2-CG 3.8Å; L405-K492 HydrophobicContact CG-CG 4.45Å; I409-K492 HydrophobicContact CD1-CB 3.88Å; I409-K492 HydrophobicContact CD1-CD 3.73Å; I409-K492 HydrophobicContact CD1-CG 3.63Å; M488-K492 VanDerWaalsContact O-CB 3.32Å; M488-K492 WeakPolarHBondContact O-CB 3.19Å; M488-K492 PolarHBondContact O-N 2.86Å; D489-K492 WeakPolarHBondContact O-CB 3.19Å; D489-K492 PolarHBondContact O-N 2.83Å; K492-A494 VanDerWaalsContact C-N 3.33Å; K492-A494 PolarHBondContact O-N 2.95Å; K492-W495 WeakPolarHBondContact O-CB 3.49Å; K492-W495 PolarHBondContact O-N 3.49Å; K492-W495 VanDerWaalsContact O-N 3.13Å; K492-E496 WeakPolarHBondContact CE-OE1 2.97Å; K492-E496 IonicContact NZ-OE1 3.75Å; K492-E496 WeakPolarHBondContact O-CG 3.42Å; K492-E496 PolarHBondContact O-N 2.89Å
493	E	97.2	Very high	96.6	Very high	129 Å²	129	35.6 Å²	35.6	60%	0.603	17%	0.173	S	C	*	.	H	α-helix	trans	-59.5	-44.8	179	-72.3	178.4	177.8	0	0	111.2	D489 W495 E496 E497	D489-E493 WeakPolarHBondContact O-CG 3.24Å; D489-E493 PolarHBondContact O-N 2.86Å; E493-W495 VanDerWaalsContact C-N 3.28Å; E493-W495 PolarHBondContact O-N 3.37Å; E493-E496 PolarHBondContact O-N 2.92Å; E493-E497 WeakPolarHBondContact O-CB 3.25Å; E493-E497 PolarHBondContact O-N 2.8Å
494	A	96.3	Very high	96.3	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-38.5	176.6	0	0	0	0	0	112.4	M225 L464 A490 K492 R498	M225-A494 HydrophobicContact CE-CB 4.02Å; M225-A494 HydrophobicContact CG-CB 3.97Å; M225-A494 HydrophobicContact SD-CB 3.41Å; M225-A494 WeakPolarHBondContact SD-CB 3.49Å; L464-A494 HydrophobicContact CD2-CB 3.91Å; A490-A494 VanDerWaalsContact O-CB 3.3Å; A490-A494 WeakPolarHBondContact O-CB 3.48Å; A490-A494 PolarHBondContact O-N 3.34Å; A490-A494 VanDerWaalsContact O-N 3.09Å; K492-A494 VanDerWaalsContact C-N 3.33Å; K492-A494 PolarHBondContact O-N 2.95Å; A494-R498 WeakPolarHBondContact O-CD 3.31Å; A494-R498 WeakPolarHBondContact O-CG 3.35Å; A494-R498 PolarHBondContact O-N 3.1Å; A494-R498 PolarHBondContact O-NH1 2.89Å
495	W	97.9	Very high	96	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-50.7	176.8	173.9	-93.6	0	0	0	112	L405 F427 A431 V461 L464 A465 V468 F491 K492 E493 E497 R498 V499	L405-W495 HydrophobicContact CD1-CG 4.49Å; L405-W495 HydrophobicContact CD2-CG 4.45Å; F427-W495 HydrophobicContact CE1-CH2 4.42Å; F427-W495 HydrophobicContact CE2-CD2 4.12Å; F427-W495 AromaticContact CE2-CE2 3.53Å; F427-W495 HydrophobicContact CE2-CH2 4.36Å; F427-W495 AromaticContact CE2-CZ2 3.67Å; F427-W495 HydrophobicContact CE2-CZ2 3.67Å; F427-W495 AromaticContact CE2-NE1 3.7Å; F427-W495 AromaticContact CZ-CD2 3.67Å; F427-W495 HydrophobicContact CZ-CD2 3.67Å; F427-W495 AromaticContact CZ-CE2 3.47Å; F427-W495 VanDerWaalsContact CZ-CE2 3.47Å; F427-W495 AromaticContact CZ-CE3 3.9Å; F427-W495 HydrophobicContact CZ-CE3 3.9Å; F427-W495 HydrophobicContact CZ-CG 4.36Å; F427-W495 AromaticContact CZ-CH2 3.79Å; F427-W495 HydrophobicContact CZ-CH2 3.79Å; F427-W495 AromaticContact CZ-CZ2 3.54Å; F427-W495 HydrophobicContact CZ-CZ2 3.54Å; F427-W495 AromaticContact CZ-CZ3 3.96Å; F427-W495 HydrophobicContact CZ-CZ3 3.96Å; A431-W495 HydrophobicContact CB-CH2 3.52Å; A431-W495 HydrophobicContact CB-CZ2 4.21Å; A431-W495 HydrophobicContact CB-CZ3 4.44Å; V461-W495 HydrophobicContact CG1-CH2 3.54Å; V461-W495 HydrophobicContact CG1-CZ2 4.47Å; V461-W495 HydrophobicContact CG1-CZ3 3.74Å; V461-W495 WeakPolarHBondContact O-CZ3 3.45Å; L464-W495 HydrophobicContact CB-CE3 4.44Å; L464-W495 HydrophobicContact CD2-CB 4.06Å; L464-W495 HydrophobicContact CD2-CE3 4.3Å; L464-W495 HydrophobicContact CG-CE3 4.39Å; A465-W495 HydrophobicContact CB-CH2 4.04Å; A465-W495 HydrophobicContact CB-CZ3 3.66Å; V468-W495 HydrophobicContact CG2-CB 3.89Å; V468-W495 HydrophobicContact CG2-CD2 4.22Å; V468-W495 HydrophobicContact CG2-CE3 3.97Å; V468-W495 HydrophobicContact CG2-CG 4.21Å; F491-W495 VanDerWaalsContact O-CB 3.28Å; F491-W495 WeakPolarHBondContact O-CB 3.23Å; F491-W495 PolarHBondContact O-N 3.45Å; K492-W495 WeakPolarHBondContact O-CB 3.49Å; K492-W495 PolarHBondContact O-N 3.49Å; K492-W495 VanDerWaalsContact O-N 3.13Å; E493-W495 VanDerWaalsContact C-N 3.28Å; E493-W495 PolarHBondContact O-N 3.37Å; W495-E497 VanDerWaalsContact C-N 3.29Å; W495-E497 PolarHBondContact O-N 3.37Å; W495-R498 PolarHBondContact O-N 3.33Å; W495-R498 VanDerWaalsContact O-N 3.13Å; W495-V499 HydrophobicContact CD2-CG2 3.94Å; W495-V499 VanDerWaalsContact CE2-CG2 3.44Å; W495-V499 HydrophobicContact CE3-CG2 4.49Å; W495-V499 HydrophobicContact CG-CG2 4.39Å; W495-V499 HydrophobicContact CH2-CG2 4.17Å; W495-V499 HydrophobicContact CZ2-CG2 3.59Å; W495-V499 WeakPolarHBondContact O-CG2 3.2Å; W495-V499 PolarHBondContact O-N 3.24Å
496	E	96.7	Very high	95.7	Very high	60 Å²	60	32.4 Å²	32.4	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-57.2	-43.3	178.8	-71.5	174.6	165.2	0	0	111.1	L405 K492 E493 R498 H500	L405-E496 HydrophobicContact CD2-CG 3.93Å; K492-E496 WeakPolarHBondContact CE-OE1 2.97Å; K492-E496 IonicContact NZ-OE1 3.75Å; K492-E496 WeakPolarHBondContact O-CG 3.42Å; K492-E496 PolarHBondContact O-N 2.89Å; E493-E496 PolarHBondContact O-N 2.92Å; E496-R498 PolarHBondContact O-N 3.44Å; E496-H500 WeakPolarHBondContact O-CB 3.5Å; E496-H500 PolarHBondContact O-N 3.44Å
497	E	93.6	Very high	95.4	Very high	89 Å²	89	30.8 Å²	30.8	42%	0.416	15%	0.151	S	C	.	.	H	α-helix	trans	-60.5	-44.7	175.4	-174.2	-172.1	-157.2	0	0	112.5	E493 W495 H500 L501	E493-E497 WeakPolarHBondContact O-CB 3.25Å; E493-E497 PolarHBondContact O-N 2.8Å; W495-E497 VanDerWaalsContact C-N 3.29Å; W495-E497 PolarHBondContact O-N 3.37Å; E497-H500 PolarHBondContact O-N 2.96Å; E497-L501 PolarHBondContact O-N 3.07Å
498	R	94.4	Very high	94.9	Very high	13 Å²	13	31.4 Å²	31.4	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-72.5	-38.6	-178.1	-76.4	154.3	-175.8	63.6	3.1	112.7	T221 Q460 V461 A494 W495 E496 H500 L501 L502	T221-R498 PolarHBondContact OG1-NH2 3.4Å; T221-R498 VanDerWaalsContact OG1-NH2 3.13Å; Q460-R498 HydrophobicContact CB-CG 4.08Å; V461-R498 HydrophobicContact CG2-CB 4.06Å; A494-R498 WeakPolarHBondContact O-CD 3.31Å; A494-R498 WeakPolarHBondContact O-CG 3.35Å; A494-R498 PolarHBondContact O-N 3.1Å; A494-R498 PolarHBondContact O-NH1 2.89Å; W495-R498 PolarHBondContact O-N 3.33Å; W495-R498 VanDerWaalsContact O-N 3.13Å; E496-R498 PolarHBondContact O-N 3.44Å; R498-H500 VanDerWaalsContact C-N 3.34Å; R498-L501 PolarHBondContact O-N 3.47Å; R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 PolarHBondContact O-N 3.32Å
499	V	96.4	Very high	94.4	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-38.9	173.9	174.5	0	0	0	0	110.3	T401 L434 V461 W495 L502 T503	T401-V499 HydrophobicContact CG2-CG1 3.83Å; L434-V499 HydrophobicContact CD1-CG1 4.16Å; L434-V499 HydrophobicContact CD1-CG2 4.28Å; V461-V499 HydrophobicContact CG2-CG2 4.21Å; W495-V499 HydrophobicContact CD2-CG2 3.94Å; W495-V499 VanDerWaalsContact CE2-CG2 3.44Å; W495-V499 HydrophobicContact CE3-CG2 4.49Å; W495-V499 HydrophobicContact CG-CG2 4.39Å; W495-V499 HydrophobicContact CH2-CG2 4.17Å; W495-V499 HydrophobicContact CZ2-CG2 3.59Å; W495-V499 WeakPolarHBondContact O-CG2 3.2Å; W495-V499 PolarHBondContact O-N 3.24Å; V499-L502 PolarHBondContact O-N 2.97Å; V499-T503 WeakPolarHBondContact O-CB 3.38Å; V499-T503 PolarHBondContact O-N 3.38Å; V499-T503 PolarHBondContact O-OG1 2.97Å
500	H	93.6	Very high	93.9	Very high	107 Å²	107	29.4 Å²	29.4	50%	0.495	14%	0.144	S	C	.	.	H	α-helix	trans	-60.6	-46.5	173.3	-177.3	60.5	0	0	0	111.7	E496 E497 R498 L502 T503 L504	E496-H500 WeakPolarHBondContact O-CB 3.5Å; E496-H500 PolarHBondContact O-N 3.44Å; E497-H500 PolarHBondContact O-N 2.96Å; R498-H500 VanDerWaalsContact C-N 3.34Å; H500-L502 PolarHBondContact O-N 3.41Å; H500-T503 WeakPolarHBondContact O-CB 3.01Å; H500-T503 PolarHBondContact O-N 2.84Å; H500-L504 WeakPolarHBondContact NE2-CD1 3.49Å; H500-L504 WeakPolarHBondContact O-CG 3.48Å; H500-L504 PolarHBondContact O-N 3.32Å
501	L	91.8	Very high	93.3	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.141	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-44.2	174.9	179.8	63.5	0	0	0	112.2	A457 E497 R498 T503 L504 A505 P891	A457-L501 HydrophobicContact CB-CD2 4.27Å; A457-L501 HydrophobicContact CB-CG 4.08Å; E497-L501 PolarHBondContact O-N 3.07Å; R498-L501 PolarHBondContact O-N 3.47Å; L501-T503 VanDerWaalsContact C-N 3.31Å; L501-T503 PolarHBondContact O-N 2.83Å; L501-L504 PolarHBondContact O-N 3.07Å; L501-A505 WeakPolarHBondContact O-CB 3.41Å; L501-A505 PolarHBondContact O-N 3.22Å; L501-P891 HydrophobicContact CD1-CB 4.15Å
502	L	95	Very high	92.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-42.9	176.6	-179.3	60.1	0	0	0	111.4	F398 L434 A438 V454 A457 A458 V461 R498 V499 H500 A505 V506	F398-L502 HydrophobicContact CE1-CD2 4.1Å; F398-L502 HydrophobicContact CE1-CG 3.96Å; F398-L502 HydrophobicContact CZ-CD2 4.06Å; F398-L502 HydrophobicContact CZ-CG 4.07Å; L434-L502 HydrophobicContact CB-CD2 4.2Å; A438-L502 HydrophobicContact CB-CD1 3.74Å; A438-L502 HydrophobicContact CB-CD2 4.48Å; A438-L502 HydrophobicContact CB-CG 4.47Å; V454-L502 HydrophobicContact CG1-CD1 4.38Å; A457-L502 HydrophobicContact CB-CB 4.03Å; A457-L502 HydrophobicContact CB-CD1 3.9Å; A458-L502 HydrophobicContact CB-CD1 4.02Å; V461-L502 HydrophobicContact CB-CD2 4.42Å; V461-L502 HydrophobicContact CG2-CB 4.24Å; V461-L502 HydrophobicContact CG2-CD2 3.97Å; R498-L502 WeakPolarHBondContact O-CB 3.48Å; R498-L502 PolarHBondContact O-N 3.32Å; V499-L502 PolarHBondContact O-N 2.97Å; H500-L502 PolarHBondContact O-N 3.41Å; L502-A505 PolarHBondContact O-N 2.93Å; L502-V506 HydrophobicContact CD1-CG2 4.27Å; L502-V506 WeakPolarHBondContact O-CG2 3.15Å; L502-V506 PolarHBondContact O-N 3.19Å
503	T	93.9	Very high	92.3	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.08	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-50.6	178.4	-56.9	0	0	0	0	110.9	F398 V499 H500 L501 A505 V506 D507 R555	F398-T503 HydrophobicContact CD1-CG2 4.22Å; F398-T503 WeakPolarHBondContact CD1-OG1 3.45Å; V499-T503 WeakPolarHBondContact O-CB 3.38Å; V499-T503 PolarHBondContact O-N 3.38Å; V499-T503 PolarHBondContact O-OG1 2.97Å; H500-T503 WeakPolarHBondContact O-CB 3.01Å; H500-T503 PolarHBondContact O-N 2.84Å; L501-T503 VanDerWaalsContact C-N 3.31Å; L501-T503 PolarHBondContact O-N 2.83Å; T503-A505 VanDerWaalsContact C-N 3.31Å; T503-A505 PolarHBondContact O-N 2.83Å; T503-V506 PolarHBondContact O-N 2.7Å; T503-D507 PolarHBondContact O-N 3.18Å; T503-R555 VanDerWaalsContact CG2-CZ 3.42Å
504	L	91.4	Very high	91.9	Very high	26 Å²	26	24.2 Å²	24.2	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-37	176.7	-68.5	177.6	0	0	0	112.6	H500 L501 S508 I894	H500-L504 WeakPolarHBondContact NE2-CD1 3.49Å; H500-L504 WeakPolarHBondContact O-CG 3.48Å; H500-L504 PolarHBondContact O-N 3.32Å; L501-L504 PolarHBondContact O-N 3.07Å; L504-S508 PolarHBondContact O-N 3.13Å; L504-I894 HydrophobicContact CD1-CD1 3.44Å; L504-I894 VanDerWaalsContact CD1-CD1 3.44Å
505	A	91.3	Very high	91.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-44	177.7	0	0	0	0	0	111.6	I453 V454 L501 L502 T503 S508 P891	I453-A505 HydrophobicContact CG2-CB 3.8Å; V454-A505 HydrophobicContact CB-CB 4.47Å; V454-A505 HydrophobicContact CG2-CB 3.63Å; V454-A505 WeakPolarHBondContact CG2-O 3.38Å; L501-A505 WeakPolarHBondContact O-CB 3.41Å; L501-A505 PolarHBondContact O-N 3.22Å; L502-A505 PolarHBondContact O-N 2.93Å; T503-A505 VanDerWaalsContact C-N 3.31Å; T503-A505 PolarHBondContact O-N 2.83Å; A505-S508 PolarHBondContact O-N 3.21Å; A505-S508 PolarHBondContact O-OG 3.36Å; A505-P891 HydrophobicContact CB-CG 4.47Å
506	V	93.1	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-43.7	175.4	168	0	0	0	0	110.8	V394 F398 A438 T441 V454 L502 T503 S508 I509 I510	V394-V506 HydrophobicContact CB-CG1 4.39Å; V394-V506 HydrophobicContact CG1-CG1 3.8Å; V394-V506 HydrophobicContact CG2-CG1 3.6Å; F398-V506 HydrophobicContact CZ-CG2 4.09Å; A438-V506 HydrophobicContact CB-CG2 4.05Å; T441-V506 HydrophobicContact CG2-CG1 4.3Å; V454-V506 HydrophobicContact CG1-CG2 4.35Å; L502-V506 HydrophobicContact CD1-CG2 4.27Å; L502-V506 WeakPolarHBondContact O-CG2 3.15Å; L502-V506 PolarHBondContact O-N 3.19Å; T503-V506 PolarHBondContact O-N 2.7Å; V506-S508 PolarHBondContact O-N 2.92Å; V506-I509 PolarHBondContact O-N 2.89Å; V506-I510 PolarHBondContact O-N 3.41Å
507	D	91.3	Very high	91.2	Very high	18 Å²	18	21.6 Å²	21.6	10%	0.096	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-32.3	176.9	-70.5	-15	0	0	0	113.2	T503 I509 I510 R555	T503-D507 PolarHBondContact O-N 3.18Å; D507-I509 PolarHBondContact O-N 3.41Å; D507-I510 WeakPolarHBondContact O-CG1 3.33Å; D507-I510 PolarHBondContact O-N 2.92Å; D507-R555 IonicContact OD1-CZ 3.91Å; D507-R555 IonicContact OD1-NH2 3Å; D507-R555 PolarHBondContact OD1-NH2 3.46Å; D507-R555 IonicContact OD2-CZ 3.87Å; D507-R555 IonicContact OD2-NH1 3.17Å; D507-R555 PolarHBondContact OD2-NH1 3.41Å; D507-R555 IonicContact OD2-NH2 2.64Å; D507-R555 PolarHBondContact OD2-NH2 3.35Å
508	S	87.7	Confident	91.2	Very high	14 Å²	14	17.4 Å²	17.4	10%	0.098	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	178	78.6	0	0	0	0	113.6	Y450 L504 A505 V506 R887	Y450-S508 WeakPolarHBondContact CD1-OG 3.38Å; L504-S508 PolarHBondContact O-N 3.13Å; A505-S508 PolarHBondContact O-N 3.21Å; A505-S508 PolarHBondContact O-OG 3.36Å; V506-S508 PolarHBondContact O-N 2.92Å; S508-R887 VanDerWaalsContact C-NH1 3.27Å; S508-R887 PolarHBondContact O-NH1 2.72Å
509	I	87.5	Confident	91.2	Very high	29 Å²	29	16.9 Å²	16.9	15%	0.149	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-39.4	175.9	-63.4	-178.4	0	0	0	111.7	T441 C445 Y450 V454 V506 D507	T441-I509 HydrophobicContact CG2-CB 3.74Å; T441-I509 HydrophobicContact CG2-CD1 4.09Å; T441-I509 HydrophobicContact CG2-CG1 4.48Å; T441-I509 HydrophobicContact CG2-CG2 3.58Å; C445-I509 HydrophobicContact CB-CD1 4.15Å; C445-I509 HydrophobicContact CB-CG2 3.71Å; Y450-I509 HydrophobicContact CG-CG1 4.39Å; V454-I509 HydrophobicContact CB-CD1 4.37Å; V454-I509 HydrophobicContact CG2-CD1 3.55Å; V454-I509 HydrophobicContact CG2-CG1 4.33Å; V506-I509 PolarHBondContact O-N 2.89Å; D507-I509 PolarHBondContact O-N 3.41Å
510	I	88.5	Confident	91.1	Very high	11 Å²	11	17 Å²	17	6%	0.056	9%	0.091	C	C	.	.	S	Bend	trans	-69.2	147.6	-176.8	68.3	-176.2	0	0	0	111.1	I391 T441 V506 D507 F515	I391-I510 HydrophobicContact CD1-CB 4.11Å; I391-I510 HydrophobicContact CD1-CG2 4.37Å; I391-I510 HydrophobicContact CG1-CB 4.13Å; I391-I510 HydrophobicContact CG1-CG2 3.86Å; T441-I510 HydrophobicContact CG2-CG2 4.34Å; V506-I510 PolarHBondContact O-N 3.41Å; D507-I510 WeakPolarHBondContact O-CG1 3.33Å; D507-I510 PolarHBondContact O-N 2.92Å; I510-F515 HydrophobicContact CD1-CB 4.07Å; I510-F515 HydrophobicContact CD1-CD2 3.67Å; I510-F515 HydrophobicContact CD1-CE2 4.45Å; I510-F515 HydrophobicContact CD1-CG 4.03Å; I510-F515 HydrophobicContact CG1-CB 4.49Å
511	T	86.2	Confident	91	Very high	48 Å²	48	14.3 Å²	14.3	29%	0.294	9%	0.087	S	C	.	.			trans	-84.2	141.7	175.3	75.6	0	0	0	0	109.3	D513 D514 F515	T511-D513 PolarHBondContact O-N 2.69Å; T511-D514 PolarHBondContact O-N 2.95Å; T511-D514 VanDerWaalsContact OG1-CB 3.3Å; T511-D514 WeakPolarHBondContact OG1-CB 3.47Å; T511-D514 PolarHBondContact OG1-N 2.99Å; T511-D514 PolarHBondContact OG1-OD2 3.22Å; T511-F515 VanDerWaalsContact O-CB 3.32Å; T511-F515 WeakPolarHBondContact O-CB 3.47Å; T511-F515 PolarHBondContact O-N 3.44Å
512	L	88.5	Confident	91.1	Very high	14 Å²	14	13 Å²	13	7%	0.073	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-38	-177.9	-174.1	60.4	0	0	0	111.9	F515 L516 V559 V560 E563 V633	L512-F515 HydrophobicContact CD1-CD1 4.42Å; L512-F515 PolarHBondContact O-N 3.22Å; L512-L516 HydrophobicContact CD1-CD1 4.12Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CD2-CD1 4.43Å; L512-L516 HydrophobicContact CG-CD1 3.83Å; L512-L516 HydrophobicContact CG-CG 4.33Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 VanDerWaalsContact O-CG 3.25Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.01Å; L512-V559 HydrophobicContact CD1-CG1 4Å; L512-V560 HydrophobicContact CD1-CG2 3.85Å; L512-E563 HydrophobicContact CD2-CG 4.11Å; L512-V633 HydrophobicContact CD2-CB 4.48Å; L512-V633 HydrophobicContact CD2-CG1 3.65Å; L512-V633 HydrophobicContact CD2-CG2 3.92Å; L512-V633 HydrophobicContact CG-CG1 4.2Å
513	D	85.4	Confident	91.1	Very high	23 Å²	23	13 Å²	13	12%	0.123	8%	0.08	C	C	.	.	H	α-helix	trans	-70	-45.9	-176.9	-65.3	14	0	0	0	112.3	T511 F515 L516 A517 L634 R637	T511-D513 PolarHBondContact O-N 2.69Å; D513-F515 VanDerWaalsContact C-N 3.27Å; D513-F515 PolarHBondContact O-N 2.79Å; D513-L516 PolarHBondContact O-N 3.45Å; D513-A517 VanDerWaalsContact O-CB 3.31Å; D513-A517 WeakPolarHBondContact O-CB 3.19Å; D513-A517 PolarHBondContact O-N 2.99Å; D513-L634 WeakPolarHBondContact OD2-CD2 3.43Å; D513-R637 IonicContact OD1-NH1 2.89Å; D513-R637 WeakPolarHBondContact OD2-CD 3.37Å; D513-R637 IonicContact OD2-CZ 2.68Å; D513-R637 IonicContact OD2-NE 2.73Å; D513-R637 IonicContact OD2-NH1 2.89Å; D513-R637 PolarHBondContact OD2-NH1 3.34Å
514	D	89.7	Confident	91.1	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-36.3	176.2	-68.9	-47	0	0	0	109.9	R387 R388 I391 T511 V518	R387-D514 IonicContact CZ-OD2 2.68Å; R387-D514 IonicContact NE-OD2 2.85Å; R387-D514 PolarHBondContact NE-OD2 3.47Å; R387-D514 IonicContact NH2-OD2 3.15Å; R387-D514 PolarHBondContact NH2-OD2 2.95Å; R388-D514 HydrophobicContact CG-CB 4Å; R388-D514 IonicContact CZ-OD1 2.69Å; R388-D514 IonicContact NE-OD1 3.53Å; R388-D514 PolarHBondContact NE-OD1 3.13Å; R388-D514 IonicContact NH2-OD1 3.38Å; I391-D514 HydrophobicContact CD1-CB 3.4Å; T511-D514 PolarHBondContact O-N 2.95Å; T511-D514 VanDerWaalsContact OG1-CB 3.3Å; T511-D514 WeakPolarHBondContact OG1-CB 3.47Å; T511-D514 PolarHBondContact OG1-N 2.99Å; T511-D514 PolarHBondContact OG1-OD2 3.22Å; D514-V518 WeakPolarHBondContact O-CB 3.4Å; D514-V518 VanDerWaalsContact O-CG2 3.23Å; D514-V518 WeakPolarHBondContact O-CG2 3.22Å; D514-V518 PolarHBondContact O-N 2.87Å
515	F	93	Very high	91.2	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-47.1	175.4	174.2	-102.3	0	0	0	112.7	I391 I510 T511 L512 D513 S519 R555 V556 V559	I391-F515 HydrophobicContact CD1-CB 4.43Å; I391-F515 HydrophobicContact CG2-CD2 4.17Å; I510-F515 HydrophobicContact CD1-CB 4.07Å; I510-F515 HydrophobicContact CD1-CD2 3.67Å; I510-F515 HydrophobicContact CD1-CE2 4.45Å; I510-F515 HydrophobicContact CD1-CG 4.03Å; I510-F515 HydrophobicContact CG1-CB 4.49Å; T511-F515 VanDerWaalsContact O-CB 3.32Å; T511-F515 WeakPolarHBondContact O-CB 3.47Å; T511-F515 PolarHBondContact O-N 3.44Å; L512-F515 HydrophobicContact CD1-CD1 4.42Å; L512-F515 PolarHBondContact O-N 3.22Å; D513-F515 VanDerWaalsContact C-N 3.27Å; D513-F515 PolarHBondContact O-N 2.79Å; F515-S519 WeakPolarHBondContact CE2-OG 3.42Å; F515-S519 WeakPolarHBondContact CZ-OG 3.37Å; F515-S519 VanDerWaalsContact O-CB 3.24Å; F515-S519 WeakPolarHBondContact O-CB 3.4Å; F515-S519 PolarHBondContact O-N 3.46Å; F515-S519 PolarHBondContact O-OG 3.02Å; F515-R555 HydrophobicContact CE2-CG 4.49Å; F515-R555 HydrophobicContact CZ-CG 4.02Å; F515-V556 HydrophobicContact CE1-CG2 4.1Å; F515-V556 HydrophobicContact CZ-CG2 4.37Å; F515-V559 HydrophobicContact CD1-CB 4.19Å; F515-V559 HydrophobicContact CD1-CG1 3.84Å; F515-V559 HydrophobicContact CE1-CB 3.69Å; F515-V559 HydrophobicContact CE1-CG1 3.88Å; F515-V559 HydrophobicContact CE1-CG2 3.88Å; F515-V559 HydrophobicContact CE2-CG2 4.44Å; F515-V559 HydrophobicContact CG-CG1 4.46Å; F515-V559 HydrophobicContact CZ-CB 4.17Å; F515-V559 HydrophobicContact CZ-CG2 3.82Å
516	L	93.1	Very high	91.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-43.1	178.4	-72.3	170.8	0	0	0	111.6	L512 D513 V518 S519 E520 V556 V560 I629 R630 V633	L512-L516 HydrophobicContact CD1-CD1 4.12Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CD2-CD1 4.43Å; L512-L516 HydrophobicContact CG-CD1 3.83Å; L512-L516 HydrophobicContact CG-CG 4.33Å; L512-L516 WeakPolarHBondContact O-CB 3.43Å; L512-L516 VanDerWaalsContact O-CG 3.25Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.01Å; D513-L516 PolarHBondContact O-N 3.45Å; L516-V518 PolarHBondContact O-N 2.88Å; L516-S519 PolarHBondContact O-N 3.39Å; L516-E520 VanDerWaalsContact O-CB 3.3Å; L516-E520 WeakPolarHBondContact O-CB 3.46Å; L516-E520 PolarHBondContact O-N 3.14Å; L516-V556 HydrophobicContact CD2-CG1 3.74Å; L516-V556 HydrophobicContact CD2-CG2 4.4Å; L516-V560 HydrophobicContact CD1-CG2 4.47Å; L516-V560 HydrophobicContact CD2-CG2 3.9Å; L516-I629 HydrophobicContact CD1-CG2 4.5Å; L516-I629 HydrophobicContact CD2-CG2 4.19Å; L516-R630 HydrophobicContact CB-CB 4.36Å; L516-R630 HydrophobicContact CB-CG 4.19Å; L516-R630 HydrophobicContact CD1-CB 4.49Å; L516-V633 HydrophobicContact CD1-CB 4.12Å; L516-V633 HydrophobicContact CD1-CG1 4.2Å; L516-V633 HydrophobicContact CD1-CG2 3.96Å
517	A	90.6	Very high	91.4	Very high	9 Å²	9	18.1 Å²	18.1	7%	0.074	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-41.3	178.3	0	0	0	0	0	112.3	D513 A521	D513-A517 VanDerWaalsContact O-CB 3.31Å; D513-A517 WeakPolarHBondContact O-CB 3.19Å; D513-A517 PolarHBondContact O-N 2.99Å; A517-A521 PolarHBondContact O-N 2.61Å
518	V	92.7	Very high	91.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-70.7	-44.7	176.6	172.4	0	0	0	0	111.1	R388 I391 D392 D514 L516 E520 A521 H522	R388-V518 HydrophobicContact CB-CG2 3.75Å; R388-V518 HydrophobicContact CG-CG2 3.92Å; I391-V518 HydrophobicContact CB-CB 4.39Å; I391-V518 HydrophobicContact CB-CG1 4.4Å; I391-V518 HydrophobicContact CB-CG2 4.16Å; I391-V518 HydrophobicContact CG2-CB 3.61Å; I391-V518 HydrophobicContact CG2-CG1 3.7Å; I391-V518 HydrophobicContact CG2-CG2 3.91Å; D392-V518 WeakPolarHBondContact OD1-CG1 3.37Å; D514-V518 WeakPolarHBondContact O-CB 3.4Å; D514-V518 VanDerWaalsContact O-CG2 3.23Å; D514-V518 WeakPolarHBondContact O-CG2 3.22Å; D514-V518 PolarHBondContact O-N 2.87Å; L516-V518 PolarHBondContact O-N 2.88Å; V518-E520 VanDerWaalsContact C-N 3.32Å; V518-E520 PolarHBondContact O-N 2.98Å; V518-A521 PolarHBondContact O-N 3.3Å; V518-H522 VanDerWaalsContact CG1-NE2 3.34Å; V518-H522 WeakPolarHBondContact CG1-NE2 3.32Å; V518-H522 PolarHBondContact O-CD2 3.14Å; V518-H522 VanDerWaalsContact O-CG 3.31Å; V518-H522 PolarHBondContact O-N 3.4Å
519	S	94.1	Very high	91.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-41	179.4	-60.3	0	0	0	0	112	F515 L516 H522 I523	F515-S519 WeakPolarHBondContact CE2-OG 3.42Å; F515-S519 WeakPolarHBondContact CZ-OG 3.37Å; F515-S519 VanDerWaalsContact O-CB 3.24Å; F515-S519 WeakPolarHBondContact O-CB 3.4Å; F515-S519 PolarHBondContact O-N 3.46Å; F515-S519 PolarHBondContact O-OG 3.02Å; L516-S519 PolarHBondContact O-N 3.39Å; S519-H522 PolarHBondContact O-N 2.99Å; S519-I523 WeakPolarHBondContact O-CB 3.43Å; S519-I523 VanDerWaalsContact O-CG1 3.23Å; S519-I523 WeakPolarHBondContact O-CG1 3.47Å; S519-I523 PolarHBondContact O-N 3.4Å
520	E	93.9	Very high	92.2	Very high	9 Å²	9	24 Å²	24	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-48.8	174.3	-173.8	-177.1	174.5	0	0	111.5	L516 V518 H522 I523 V524 H623 V626 R630	L516-E520 VanDerWaalsContact O-CB 3.3Å; L516-E520 WeakPolarHBondContact O-CB 3.46Å; L516-E520 PolarHBondContact O-N 3.14Å; V518-E520 VanDerWaalsContact C-N 3.32Å; V518-E520 PolarHBondContact O-N 2.98Å; E520-H522 VanDerWaalsContact C-N 3.29Å; E520-H522 PolarHBondContact O-N 3.31Å; E520-I523 PolarHBondContact O-N 3.18Å; E520-V524 WeakPolarHBondContact O-CG2 3.49Å; E520-V524 PolarHBondContact O-N 3.04Å; E520-H623 IonicContact OE1-CD2 3.41Å; E520-H623 IonicContact OE1-NE2 2.63Å; E520-H623 PolarHBondContact OE1-NE2 2.88Å; E520-V626 HydrophobicContact CB-CG1 4.15Å; E520-V626 HydrophobicContact CG-CG1 4.47Å; E520-R630 WeakPolarHBondContact OE2-CD 3.33Å; E520-R630 IonicContact OE2-CZ 2.66Å; E520-R630 IonicContact OE2-NE 2.89Å; E520-R630 IonicContact OE2-NH1 3.99Å; E520-R630 PolarHBondContact OE2-NH1 2.94Å
521	A	92.8	Very high	92.4	Very high	50 Å²	50	25.5 Å²	25.5	41%	0.413	14%	0.139	S	C	.	.	H	α-helix	trans	-59.9	-40.1	178.2	0	0	0	0	0	112.3	A517 V518 V524 E525	A517-A521 PolarHBondContact O-N 2.61Å; V518-A521 PolarHBondContact O-N 3.3Å; A521-V524 PolarHBondContact O-N 3.18Å; A521-E525 PolarHBondContact O-N 3.47Å
522	H	93.8	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-40.8	177	-69.7	-160.2	0	0	0	111.8	R330 D392 S395 D396 V518 S519 E520 V524 E525 D526 R552	R330-H522 PolarHBondContact NE-NE2 3.29Å; R330-H522 PolarHBondContact NH1-CE1 3.45Å; R330-H522 PolarHBondContact NH1-NE2 2.93Å; R330-H522 PolarHBondContact NH2-ND1 2.95Å; D392-H522 IonicContact OD1-CE1 3.32Å; D392-H522 IonicContact OD1-NE2 2.91Å; D392-H522 PolarHBondContact OD1-NE2 3.24Å; D392-H522 VanDerWaalsContact OD1-NE2 3.14Å; S395-H522 PolarHBondContact OG-ND1 3.36Å; D396-H522 IonicContact OD1-CE1 2.62Å; D396-H522 IonicContact OD1-ND1 3.99Å; V518-H522 VanDerWaalsContact CG1-NE2 3.34Å; V518-H522 WeakPolarHBondContact CG1-NE2 3.32Å; V518-H522 PolarHBondContact O-CD2 3.14Å; V518-H522 VanDerWaalsContact O-CG 3.31Å; V518-H522 PolarHBondContact O-N 3.4Å; S519-H522 PolarHBondContact O-N 2.99Å; E520-H522 VanDerWaalsContact C-N 3.29Å; E520-H522 PolarHBondContact O-N 3.31Å; H522-V524 VanDerWaalsContact C-N 3.28Å; H522-V524 PolarHBondContact O-N 3.29Å; H522-E525 WeakPolarHBondContact O-CB 3.08Å; H522-E525 PolarHBondContact O-N 2.97Å; H522-D526 WeakPolarHBondContact O-CB 3.49Å; H522-D526 PolarHBondContact O-N 3.49Å; H522-R552 PolarHBondContact ND1-NH1 3.34Å
523	I	94.6	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-40.4	175.3	-71.9	168	0	0	0	110.3	S519 E520 E525 D526 V527 R552 V622 V626	S519-I523 WeakPolarHBondContact O-CB 3.43Å; S519-I523 VanDerWaalsContact O-CG1 3.23Å; S519-I523 WeakPolarHBondContact O-CG1 3.47Å; S519-I523 PolarHBondContact O-N 3.4Å; E520-I523 PolarHBondContact O-N 3.18Å; I523-E525 VanDerWaalsContact C-N 3.33Å; I523-E525 PolarHBondContact O-N 3.03Å; I523-D526 PolarHBondContact O-N 3.24Å; I523-V527 HydrophobicContact CG2-CG2 4.37Å; I523-V527 WeakPolarHBondContact O-CB 3.09Å; I523-V527 WeakPolarHBondContact O-CG2 3.46Å; I523-V527 PolarHBondContact O-N 3.42Å; I523-R552 HydrophobicContact CD1-CB 4.24Å; I523-R552 HydrophobicContact CG1-CB 4.04Å; I523-V622 HydrophobicContact CG2-CG1 4.4Å; I523-V626 HydrophobicContact CD1-CG1 4.37Å; I523-V626 HydrophobicContact CD1-CG2 3.76Å
524	V	93.8	Very high	93.4	Very high	43 Å²	43	26.2 Å²	26.2	26%	0.261	14%	0.138	S	C	.	.	H	α-helix	trans	-62.8	-39.9	175.5	171.3	0	0	0	0	111.8	E520 A521 H522 K528	E520-V524 WeakPolarHBondContact O-CG2 3.49Å; E520-V524 PolarHBondContact O-N 3.04Å; A521-V524 PolarHBondContact O-N 3.18Å; H522-V524 VanDerWaalsContact C-N 3.28Å; H522-V524 PolarHBondContact O-N 3.29Å; V524-K528 WeakPolarHBondContact O-CG 3.48Å; V524-K528 PolarHBondContact O-N 2.98Å; V524-K528 VanDerWaalsContact O-N 3.1Å
525	E	92.8	Very high	93.5	Very high	72 Å²	72	30.7 Å²	30.7	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-64	-47.7	173.2	-177.7	-176.5	-167.3	0	0	111.8	R330 A521 H522 I523 V527 K528 N529	R330-E525 IonicContact CZ-OE2 2.91Å; R330-E525 IonicContact NE-OE2 3.98Å; R330-E525 PolarHBondContact NE-OE2 2.91Å; R330-E525 IonicContact NH2-OE2 3.22Å; R330-E525 PolarHBondContact NH2-OE2 3.47Å; A521-E525 PolarHBondContact O-N 3.47Å; H522-E525 WeakPolarHBondContact O-CB 3.08Å; H522-E525 PolarHBondContact O-N 2.97Å; I523-E525 VanDerWaalsContact C-N 3.33Å; I523-E525 PolarHBondContact O-N 3.03Å; E525-V527 PolarHBondContact O-N 3.4Å; E525-K528 WeakPolarHBondContact O-CB 3.3Å; E525-K528 PolarHBondContact O-N 3.35Å; E525-N529 PolarHBondContact O-N 2.89Å
526	D	94.7	Very high	93.6	Very high	11 Å²	11	36 Å²	36	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-33.9	178.8	-63.3	-34	0	0	0	111.1	H522 I523 N529 C530 I549 R552	H522-D526 WeakPolarHBondContact O-CB 3.49Å; H522-D526 PolarHBondContact O-N 3.49Å; I523-D526 PolarHBondContact O-N 3.24Å; D526-N529 PolarHBondContact O-N 2.96Å; D526-C530 PolarHBondContact O-N 2.97Å; D526-C530 PolarHBondContact O-SG 2.86Å; D526-I549 HydrophobicContact CB-CD1 4.11Å; D526-I549 HydrophobicContact CB-CG1 3.48Å; D526-I549 VanDerWaalsContact CB-CG1 3.48Å; D526-R552 IonicContact OD2-CZ 3.62Å; D526-R552 IonicContact OD2-NE 3.39Å; D526-R552 PolarHBondContact OD2-NE 2.86Å; D526-R552 IonicContact OD2-NH2 3.33Å
527	V	94.5	Very high	93.5	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-44.5	172.5	164	0	0	0	0	111.1	I523 E525 N529 C530 I531 I549 C619	I523-V527 HydrophobicContact CG2-CG2 4.37Å; I523-V527 WeakPolarHBondContact O-CB 3.09Å; I523-V527 WeakPolarHBondContact O-CG2 3.46Å; I523-V527 PolarHBondContact O-N 3.42Å; E525-V527 PolarHBondContact O-N 3.4Å; V527-N529 VanDerWaalsContact C-N 3.3Å; V527-N529 PolarHBondContact O-N 3.26Å; V527-C530 PolarHBondContact O-N 2.89Å; V527-I531 HydrophobicContact CG1-CD1 3.77Å; V527-I531 HydrophobicContact CG1-CG1 4.49Å; V527-I531 VanDerWaalsContact O-CG1 3.3Å; V527-I531 WeakPolarHBondContact O-CG1 3.31Å; V527-I531 PolarHBondContact O-N 3.49Å; V527-I549 HydrophobicContact CB-CD1 4.5Å; V527-I549 HydrophobicContact CG2-CD1 3.71Å; V527-I549 HydrophobicContact CG2-CG1 4.5Å; V527-C619 HydrophobicContact CB-CB 4.32Å; V527-C619 HydrophobicContact CG1-CB 3.61Å; V527-C619 HydrophobicContact CG2-CB 3.76Å
528	K	94.2	Very high	93.7	Very high	138 Å²	138	43.3 Å²	43.3	60%	0.6	22%	0.224	S	C	*	.	H	α-helix	trans	-60.3	-42.2	175.2	-70.1	169.7	-176.5	175.3	0	111.1	V524 E525 I531 Q532	V524-K528 WeakPolarHBondContact O-CG 3.48Å; V524-K528 PolarHBondContact O-N 2.98Å; V524-K528 VanDerWaalsContact O-N 3.1Å; E525-K528 WeakPolarHBondContact O-CB 3.3Å; E525-K528 PolarHBondContact O-N 3.35Å; K528-I531 PolarHBondContact O-N 3.27Å; K528-Q532 WeakPolarHBondContact O-CB 3.28Å; K528-Q532 PolarHBondContact O-N 3.31Å
529	N	94.9	Very high	93.7	Very high	47 Å²	47	45 Å²	45	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-42.2	176.2	-66.8	-24.4	0	0	0	111.6	E525 D526 V527 I531 Q532 A533 S545	E525-N529 PolarHBondContact O-N 2.89Å; D526-N529 PolarHBondContact O-N 2.96Å; V527-N529 VanDerWaalsContact C-N 3.3Å; V527-N529 PolarHBondContact O-N 3.26Å; N529-I531 PolarHBondContact O-N 3.42Å; N529-Q532 PolarHBondContact O-N 3.31Å; N529-A533 VanDerWaalsContact O-CB 3.29Å; N529-A533 WeakPolarHBondContact O-CB 3.4Å; N529-A533 PolarHBondContact O-N 3.16Å; N529-S545 VanDerWaalsContact CB-OG 3.27Å; N529-S545 WeakPolarHBondContact CB-OG 3.5Å
530	C	94.2	Very high	93.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-45.8	174.3	-67.2	0	0	0	0	112	D526 V527 A533 V534 L542 S545 I549 F615	D526-C530 PolarHBondContact O-N 2.97Å; D526-C530 PolarHBondContact O-SG 2.86Å; V527-C530 PolarHBondContact O-N 2.89Å; C530-A533 PolarHBondContact O-N 2.94Å; C530-V534 WeakPolarHBondContact O-CG2 3.36Å; C530-V534 PolarHBondContact O-N 3.48Å; C530-L542 HydrophobicContact CB-CD1 4.08Å; C530-S545 VanDerWaalsContact SG-C 3.57Å; C530-S545 WeakPolarHBondContact SG-CB 3.41Å; C530-I549 VanDerWaalsContact SG-CD1 3.54Å; C530-F615 HydrophobicContact CB-CE1 3.75Å; C530-F615 HydrophobicContact CB-CZ 4.2Å
531	I	93.1	Very high	93.7	Very high	42 Å²	42	53.2 Å²	53.2	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-45.2	178.9	-65.4	160.4	0	0	0	110.2	V527 K528 N529 A533 V534 V535 V612 I616	V527-I531 HydrophobicContact CG1-CD1 3.77Å; V527-I531 HydrophobicContact CG1-CG1 4.49Å; V527-I531 VanDerWaalsContact O-CG1 3.3Å; V527-I531 WeakPolarHBondContact O-CG1 3.31Å; V527-I531 PolarHBondContact O-N 3.49Å; K528-I531 PolarHBondContact O-N 3.27Å; N529-I531 PolarHBondContact O-N 3.42Å; I531-A533 VanDerWaalsContact C-N 3.33Å; I531-A533 PolarHBondContact O-N 3.41Å; I531-V534 PolarHBondContact O-N 2.98Å; I531-V535 WeakPolarHBondContact O-CG2 3.32Å; I531-V535 PolarHBondContact O-N 2.99Å; I531-V612 HydrophobicContact CG2-CG1 4.22Å; I531-I616 HydrophobicContact CD1-CD1 4.44Å; I531-I616 HydrophobicContact CD1-CG1 3.7Å; I531-I616 HydrophobicContact CG1-CG1 3.91Å
532	Q	94.5	Very high	93.8	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-44.6	175.9	179.8	179.7	-22.3	0	0	111.4	K528 N529 V534 V535 Q536	K528-Q532 WeakPolarHBondContact O-CB 3.28Å; K528-Q532 PolarHBondContact O-N 3.31Å; N529-Q532 PolarHBondContact O-N 3.31Å; Q532-V534 VanDerWaalsContact C-N 3.34Å; Q532-V534 PolarHBondContact O-N 3.4Å; Q532-V535 PolarHBondContact O-N 2.9Å; Q532-Q536 HydrophobicContact CG-CG 4.29Å; Q532-Q536 VanDerWaalsContact NE2-NE2 3.18Å; Q532-Q536 VanDerWaalsContact NE2-OE1 3.17Å; Q532-Q536 WeakPolarHBondContact O-CB 3.21Å; Q532-Q536 WeakPolarHBondContact O-CG 3.34Å; Q532-Q536 PolarHBondContact O-N 3.33Å
533	A	94.2	Very high	93.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-41	178.6	0	0	0	0	0	112.1	N529 C530 I531 Q536 K537 D538 L541 L542	N529-A533 VanDerWaalsContact O-CB 3.29Å; N529-A533 WeakPolarHBondContact O-CB 3.4Å; N529-A533 PolarHBondContact O-N 3.16Å; C530-A533 PolarHBondContact O-N 2.94Å; I531-A533 VanDerWaalsContact C-N 3.33Å; I531-A533 PolarHBondContact O-N 3.41Å; A533-Q536 PolarHBondContact O-N 3.49Å; A533-K537 CarbonylContact O-C 3.01Å; A533-K537 WeakPolarHBondContact O-CA 3.17Å; A533-K537 PolarHBondContact O-N 2.94Å; A533-D538 HydrophobicContact CB-CB 4.48Å; A533-D538 PolarHBondContact O-N 2.7Å; A533-L541 HydrophobicContact CB-CB 3.93Å; A533-L541 HydrophobicContact CB-CD2 3.91Å; A533-L541 HydrophobicContact CB-CG 3.83Å; A533-L542 HydrophobicContact CB-CB 3.75Å
534	V	92.8	Very high	93.6	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-45.5	174.3	171.4	0	0	0	0	111.5	C530 I531 Q532 K537 L542 I602 V610 V612 F615	C530-V534 WeakPolarHBondContact O-CG2 3.36Å; C530-V534 PolarHBondContact O-N 3.48Å; I531-V534 PolarHBondContact O-N 2.98Å; Q532-V534 VanDerWaalsContact C-N 3.34Å; Q532-V534 PolarHBondContact O-N 3.4Å; V534-K537 PolarHBondContact O-N 2.74Å; V534-L542 HydrophobicContact CG2-CD1 3.92Å; V534-L542 HydrophobicContact CG2-CD2 4.02Å; V534-I602 HydrophobicContact CG2-CD1 4.37Å; V534-V610 HydrophobicContact CG1-CB 3.77Å; V534-V610 HydrophobicContact CG1-CG1 3.88Å; V534-V612 HydrophobicContact CG1-CG2 4.08Å; V534-F615 HydrophobicContact CG2-CD1 3.97Å; V534-F615 HydrophobicContact CG2-CE1 3.92Å; V534-F615 HydrophobicContact CG2-CG 4.4Å; V534-F615 HydrophobicContact CG2-CZ 4.3Å
535	V	92	Very high	93.6	Very high	97 Å²	97	59.7 Å²	59.7	59%	0.588	30%	0.3	S	S	*	.	H	α-helix	trans	-65.5	-42.2	179.4	172.1	0	0	0	0	111.5	I531 Q532 K537 V612	I531-V535 WeakPolarHBondContact O-CG2 3.32Å; I531-V535 PolarHBondContact O-N 2.99Å; Q532-V535 PolarHBondContact O-N 2.9Å; V535-K537 VanDerWaalsContact C-N 3.28Å; V535-K537 PolarHBondContact O-N 3.13Å; V535-V612 HydrophobicContact CG2-CG2 4.35Å
536	Q	93.5	Very high	93.7	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-80.9	-8.2	-179.7	-68.2	177.5	-10.7	0	0	113.2	Q532 A533 D538	Q532-Q536 HydrophobicContact CG-CG 4.29Å; Q532-Q536 VanDerWaalsContact NE2-NE2 3.18Å; Q532-Q536 VanDerWaalsContact NE2-OE1 3.17Å; Q532-Q536 WeakPolarHBondContact O-CB 3.21Å; Q532-Q536 WeakPolarHBondContact O-CG 3.34Å; Q532-Q536 PolarHBondContact O-N 3.33Å; A533-Q536 PolarHBondContact O-N 3.49Å; Q536-D538 PolarHBondContact O-N 2.86Å
537	K	91.9	Very high	93.6	Very high	102 Å²	102	56.7 Å²	56.7	44%	0.443	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	34.8	-173.6	-59.7	-176.1	173.9	-165.7	0	112.7	A533 V534 V535 I602 P607	A533-K537 CarbonylContact O-C 3.01Å; A533-K537 WeakPolarHBondContact O-CA 3.17Å; A533-K537 PolarHBondContact O-N 2.94Å; V534-K537 PolarHBondContact O-N 2.74Å; V535-K537 VanDerWaalsContact C-N 3.28Å; V535-K537 PolarHBondContact O-N 3.13Å; K537-I602 HydrophobicContact CB-CG2 3.79Å; K537-I602 HydrophobicContact CG-CG2 4.41Å; K537-I602 WeakPolarHBondContact O-CG2 3.4Å; K537-P607 HydrophobicContact CD-CB 3.98Å; K537-P607 HydrophobicContact CD-CG 3.88Å; K537-P607 PolarHBondContact NZ-O 2.99Å
538	D	94	Very high	93.6	Very high	62 Å²	62	56 Å²	56	33%	0.332	29%	0.287	S	S	.	.			trans	-87.5	106.7	175.4	-170.2	-26.2	0	0	0	109.4	A533 Q536 D540 L541 L542	A533-D538 HydrophobicContact CB-CB 4.48Å; A533-D538 PolarHBondContact O-N 2.7Å; Q536-D538 PolarHBondContact O-N 2.86Å; D538-D540 PolarHBondContact OD1-N 3.08Å; D538-D540 VanDerWaalsContact OD1-N 3.16Å; D538-L541 HydrophobicContact CB-CB 4.07Å; D538-L541 PolarHBondContact OD1-N 2.8Å; D538-L542 WeakPolarHBondContact O-CB 3.33Å; D538-L542 PolarHBondContact O-N 2.69Å
539	V	93.4	Very high	93.6	Very high	37 Å²	37	49.5 Å²	49.5	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-72.6	-39.6	-176.3	-179	0	0	0	0	111.3	L542 D543 V599 I602 S603	V539-L542 PolarHBondContact O-N 2.66Å; V539-D543 PolarHBondContact O-N 3.09Å; V539-V599 HydrophobicContact CG1-CG1 3.92Å; V539-I602 HydrophobicContact CG2-CB 4.09Å; V539-I602 HydrophobicContact CG2-CG2 3.53Å; V539-S603 WeakPolarHBondContact CG1-OG 3.46Å
540	D	93.2	Very high	93.6	Very high	134 Å²	134	52.3 Å²	52.3	72%	0.717	27%	0.265	S	S	*	.	H	α-helix	trans	-71.1	-43.1	-174.1	-63.9	-33.6	0	0	0	110.2	D538 L542 H544	D538-D540 PolarHBondContact OD1-N 3.08Å; D538-D540 VanDerWaalsContact OD1-N 3.16Å; D540-L542 VanDerWaalsContact C-N 3.34Å; D540-H544 VanDerWaalsContact O-CB 3.31Å; D540-H544 WeakPolarHBondContact O-CB 3.4Å; D540-H544 PolarHBondContact O-N 2.66Å
541	L	94.4	Very high	93.6	Very high	47 Å²	47	53.1 Å²	53.1	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-41	174.2	-177	62	0	0	0	111.5	A533 D538 S545	A533-L541 HydrophobicContact CB-CB 3.93Å; A533-L541 HydrophobicContact CB-CD2 3.91Å; A533-L541 HydrophobicContact CB-CG 3.83Å; D538-L541 HydrophobicContact CB-CB 4.07Å; D538-L541 PolarHBondContact OD1-N 2.8Å; L541-S545 WeakPolarHBondContact O-CB 3.3Å; L541-S545 PolarHBondContact O-N 2.93Å; L541-S545 PolarHBondContact O-OG 3.33Å
542	L	95	Very high	93.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-47.8	179.1	179.1	58.7	0	0	0	111.7	C530 A533 V534 D538 V539 D540 A546 A598 V599 I602 F615	C530-L542 HydrophobicContact CB-CD1 4.08Å; A533-L542 HydrophobicContact CB-CB 3.75Å; V534-L542 HydrophobicContact CG2-CD1 3.92Å; V534-L542 HydrophobicContact CG2-CD2 4.02Å; D538-L542 WeakPolarHBondContact O-CB 3.33Å; D538-L542 PolarHBondContact O-N 2.69Å; V539-L542 PolarHBondContact O-N 2.66Å; D540-L542 VanDerWaalsContact C-N 3.34Å; L542-A546 WeakPolarHBondContact O-CB 3.44Å; L542-A546 PolarHBondContact O-N 3.43Å; L542-A598 HydrophobicContact CD2-CB 3.99Å; L542-V599 HydrophobicContact CB-CG2 4.41Å; L542-V599 HydrophobicContact CD2-CG2 3.76Å; L542-V599 HydrophobicContact CG-CG2 3.8Å; L542-I602 HydrophobicContact CD2-CD1 3.74Å; L542-F615 HydrophobicContact CD1-CE1 4.35Å; L542-F615 HydrophobicContact CD1-CZ 3.88Å
543	D	92.5	Very high	93.8	Very high	102 Å²	102	47.4 Å²	47.4	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-44.6	179.3	-172.8	63.4	0	0	0	111.3	V539 A546 G547 V599	V539-D543 PolarHBondContact O-N 3.09Å; D543-A546 PolarHBondContact O-N 2.72Å; D543-G547 PolarHBondContact O-N 3.14Å; D543-V599 HydrophobicContact CB-CG2 4.33Å
544	H	92.2	Very high	93.8	Very high	126 Å²	126	50.6 Å²	50.6	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-62.3	-50.7	178	-177.6	64.6	0	0	0	112.5	D540 A546 G547 A548	D540-H544 VanDerWaalsContact O-CB 3.31Å; D540-H544 WeakPolarHBondContact O-CB 3.4Å; D540-H544 PolarHBondContact O-N 2.66Å; H544-A546 PolarHBondContact O-N 3Å; H544-G547 PolarHBondContact O-N 3.01Å; H544-A548 PolarHBondContact O-N 2.85Å
545	S	94	Very high	93.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-36	179.8	-64.6	0	0	0	0	112.3	N529 C530 L541 A548 I549	N529-S545 VanDerWaalsContact CB-OG 3.27Å; N529-S545 WeakPolarHBondContact CB-OG 3.5Å; C530-S545 VanDerWaalsContact SG-C 3.57Å; C530-S545 WeakPolarHBondContact SG-CB 3.41Å; L541-S545 WeakPolarHBondContact O-CB 3.3Å; L541-S545 PolarHBondContact O-N 2.93Å; L541-S545 PolarHBondContact O-OG 3.33Å; S545-A548 PolarHBondContact O-N 3.34Å; S545-I549 WeakPolarHBondContact O-CG1 3.45Å; S545-I549 PolarHBondContact O-N 3.19Å
546	A	94.4	Very high	94	Very high	6 Å²	6	47.1 Å²	47.1	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-39.2	174.1	0	0	0	0	0	112.2	L542 D543 H544 A548 I549 R550 F591 A595	L542-A546 WeakPolarHBondContact O-CB 3.44Å; L542-A546 PolarHBondContact O-N 3.43Å; D543-A546 PolarHBondContact O-N 2.72Å; H544-A546 PolarHBondContact O-N 3Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A546-I549 PolarHBondContact O-N 3.32Å; A546-R550 WeakPolarHBondContact O-CB 3.42Å; A546-R550 PolarHBondContact O-N 2.85Å; A546-F591 HydrophobicContact CB-CE1 4.18Å; A546-F591 HydrophobicContact CB-CZ 3.91Å; A546-A595 HydrophobicContact CB-CB 3.75Å
547	G	93	Very high	94.1	Very high	14 Å²	14	42.1 Å²	42.1	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-45.9	170.3	0	0	0	0	0	112	D543 H544 R550 G551	D543-G547 PolarHBondContact O-N 3.14Å; H544-G547 PolarHBondContact O-N 3.01Å; G547-R550 PolarHBondContact O-N 3Å; G547-G551 PolarHBondContact O-N 3.22Å
548	A	93.9	Very high	94.2	Very high	6 Å²	6	42.8 Å²	42.8	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-46.6	178.4	0	0	0	0	0	112.7	L399 H544 S545 A546 R550 G551 R552	L399-A548 HydrophobicContact CD2-CB 4.09Å; H544-A548 PolarHBondContact O-N 2.85Å; S545-A548 PolarHBondContact O-N 3.34Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A548-R550 VanDerWaalsContact C-N 3.32Å; A548-R550 PolarHBondContact O-N 2.89Å; A548-G551 PolarHBondContact O-N 3.47Å; A548-R552 WeakPolarHBondContact O-CB 3.49Å; A548-R552 WeakPolarHBondContact O-CG 3.02Å; A548-R552 PolarHBondContact O-N 2.94Å
549	I	95.4	Very high	94.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-48.2	175.3	-68.9	169.4	0	0	0	110.4	D526 V527 C530 S545 A546 S553 F591 V622	D526-I549 HydrophobicContact CB-CD1 4.11Å; D526-I549 HydrophobicContact CB-CG1 3.48Å; D526-I549 VanDerWaalsContact CB-CG1 3.48Å; V527-I549 HydrophobicContact CB-CD1 4.5Å; V527-I549 HydrophobicContact CG2-CD1 3.71Å; V527-I549 HydrophobicContact CG2-CG1 4.5Å; C530-I549 VanDerWaalsContact SG-CD1 3.54Å; S545-I549 WeakPolarHBondContact O-CG1 3.45Å; S545-I549 PolarHBondContact O-N 3.19Å; A546-I549 PolarHBondContact O-N 3.32Å; I549-S553 WeakPolarHBondContact O-CB 3.41Å; I549-S553 PolarHBondContact O-N 3.28Å; I549-S553 PolarHBondContact O-OG 2.99Å; I549-F591 HydrophobicContact CB-CE1 3.8Å; I549-F591 HydrophobicContact CB-CZ 3.86Å; I549-F591 HydrophobicContact CD1-CE1 4.43Å; I549-F591 HydrophobicContact CD1-CE2 3.97Å; I549-F591 HydrophobicContact CD1-CZ 3.6Å; I549-F591 HydrophobicContact CG1-CZ 4.32Å; I549-F591 HydrophobicContact CG2-CD1 4.04Å; I549-F591 HydrophobicContact CG2-CE1 3.64Å; I549-F591 HydrophobicContact CG2-CE2 4.32Å; I549-F591 HydrophobicContact CG2-CZ 3.82Å; I549-V622 HydrophobicContact CG2-CB 4.43Å; I549-V622 HydrophobicContact CG2-CG1 3.84Å
550	R	94.5	Very high	94	Very high	105 Å²	105	38.7 Å²	38.7	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-48.6	179	-179.5	-179.9	64.8	-140.8	-6.1	111.1	A546 G547 A548 S553 L554 I588	A546-R550 WeakPolarHBondContact O-CB 3.42Å; A546-R550 PolarHBondContact O-N 2.85Å; G547-R550 PolarHBondContact O-N 3Å; A548-R550 VanDerWaalsContact C-N 3.32Å; A548-R550 PolarHBondContact O-N 2.89Å; R550-S553 PolarHBondContact O-N 3.28Å; R550-L554 HydrophobicContact CG-CD1 4.12Å; R550-L554 WeakPolarHBondContact O-CB 3.39Å; R550-L554 WeakPolarHBondContact O-CG 3.39Å; R550-L554 PolarHBondContact O-N 2.97Å; R550-I588 HydrophobicContact CG-CG2 3.99Å
551	G	93.6	Very high	93.9	Very high	17 Å²	17	33.1 Å²	33.1	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-50.3	180	0	0	0	0	0	112.3	L399 G547 A548 S553 L554 R555	L399-G551 VanDerWaalsContact CD1-C 3.47Å; G547-G551 PolarHBondContact O-N 3.22Å; A548-G551 PolarHBondContact O-N 3.47Å; G551-S553 VanDerWaalsContact C-N 3.35Å; G551-S553 PolarHBondContact O-N 2.72Å; G551-L554 PolarHBondContact O-N 2.64Å; G551-R555 WeakPolarHBondContact O-CB 3.46Å; G551-R555 PolarHBondContact O-N 3.42Å
552	R	95.5	Very high	93.6	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.045	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-40.2	179.7	-68.9	-172.4	-156.1	-84.6	6.3	111.7	S395 D396 L399 H522 I523 D526 A548 R555 V556	S395-R552 VanDerWaalsContact C-NH1 3.31Å; S395-R552 PolarHBondContact O-NH1 3.48Å; S395-R552 PolarHBondContact OG-NH1 3.12Å; D396-R552 IonicContact OD1-CZ 2.71Å; D396-R552 IonicContact OD1-NH1 3.61Å; D396-R552 PolarHBondContact OD1-NH1 2.8Å; D396-R552 IonicContact OD1-NH2 2.81Å; D396-R552 PolarHBondContact OD1-NH2 2.81Å; L399-R552 HydrophobicContact CD1-CB 4.37Å; L399-R552 HydrophobicContact CD1-CG 3.62Å; L399-R552 HydrophobicContact CD2-CG 4.18Å; H522-R552 PolarHBondContact ND1-NH1 3.34Å; I523-R552 HydrophobicContact CD1-CB 4.24Å; I523-R552 HydrophobicContact CG1-CB 4.04Å; D526-R552 IonicContact OD2-CZ 3.62Å; D526-R552 IonicContact OD2-NE 3.39Å; D526-R552 PolarHBondContact OD2-NE 2.86Å; D526-R552 IonicContact OD2-NH2 3.33Å; A548-R552 WeakPolarHBondContact O-CB 3.49Å; A548-R552 WeakPolarHBondContact O-CG 3.02Å; A548-R552 PolarHBondContact O-N 2.94Å; R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 PolarHBondContact O-N 3.33Å; R552-V556 WeakPolarHBondContact O-CG2 3.48Å; R552-V556 PolarHBondContact O-N 3.16Å
553	S	96.4	Very high	93.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-42.2	178.1	-58.5	0	0	0	0	112	I549 R550 G551 R555 V556 C557 I588 V622	I549-S553 WeakPolarHBondContact O-CB 3.41Å; I549-S553 PolarHBondContact O-N 3.28Å; I549-S553 PolarHBondContact O-OG 2.99Å; R550-S553 PolarHBondContact O-N 3.28Å; G551-S553 VanDerWaalsContact C-N 3.35Å; G551-S553 PolarHBondContact O-N 2.72Å; S553-R555 VanDerWaalsContact C-N 3.3Å; S553-R555 PolarHBondContact O-N 3.06Å; S553-V556 WeakPolarHBondContact O-CB 3.43Å; S553-V556 PolarHBondContact O-N 3.11Å; S553-C557 PolarHBondContact O-N 2.77Å; S553-C557 VanDerWaalsContact O-N 3.12Å; S553-C557 PolarHBondContact O-SG 3.2Å; S553-C557 VanDerWaalsContact O-SG 3.36Å; S553-I588 VanDerWaalsContact CB-CD1 3.41Å; S553-V622 WeakPolarHBondContact OG-CG1 3.38Å
554	L	95	Very high	92.9	Very high	68 Å²	68	28.9 Å²	28.9	36%	0.356	15%	0.152	S	C	.	.	H	α-helix	trans	-64.1	-37.8	173	-72.9	173.3	0	0	0	111.5	R550 G551 C557 Q558 I588	R550-L554 HydrophobicContact CG-CD1 4.12Å; R550-L554 WeakPolarHBondContact O-CB 3.39Å; R550-L554 WeakPolarHBondContact O-CG 3.39Å; R550-L554 PolarHBondContact O-N 2.97Å; G551-L554 PolarHBondContact O-N 2.64Å; L554-C557 WeakPolarHBondContact O-CB 3.4Å; L554-C557 PolarHBondContact O-N 3.07Å; L554-Q558 WeakPolarHBondContact O-CG 3.23Å; L554-Q558 PolarHBondContact O-N 3.24Å; L554-I588 HydrophobicContact CD2-CD1 3.82Å; L554-I588 HydrophobicContact CG-CD1 4.01Å
555	R	93.8	Very high	92.6	Very high	33 Å²	33	29.1 Å²	29.1	13%	0.125	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-41.7	175.9	-163.1	65	167.3	106.9	19.6	112.1	T503 D507 F515 G551 R552 S553 C557 Q558 V559	T503-R555 VanDerWaalsContact CG2-CZ 3.42Å; D507-R555 IonicContact OD1-CZ 3.91Å; D507-R555 IonicContact OD1-NH2 3Å; D507-R555 PolarHBondContact OD1-NH2 3.46Å; D507-R555 IonicContact OD2-CZ 3.87Å; D507-R555 IonicContact OD2-NH1 3.17Å; D507-R555 PolarHBondContact OD2-NH1 3.41Å; D507-R555 IonicContact OD2-NH2 2.64Å; D507-R555 PolarHBondContact OD2-NH2 3.35Å; F515-R555 HydrophobicContact CE2-CG 4.49Å; F515-R555 HydrophobicContact CZ-CG 4.02Å; G551-R555 WeakPolarHBondContact O-CB 3.46Å; G551-R555 PolarHBondContact O-N 3.42Å; R552-R555 WeakPolarHBondContact O-CB 3.44Å; R552-R555 PolarHBondContact O-N 3.33Å; S553-R555 VanDerWaalsContact C-N 3.3Å; S553-R555 PolarHBondContact O-N 3.06Å; R555-C557 VanDerWaalsContact C-N 3.32Å; R555-C557 PolarHBondContact O-N 3.38Å; R555-Q558 PolarHBondContact O-N 3.17Å; R555-V559 HydrophobicContact CG-CG2 4.38Å; R555-V559 WeakPolarHBondContact O-CG2 3.43Å; R555-V559 PolarHBondContact O-N 2.73Å
556	V	95.4	Very high	91.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.6	-48.4	171.7	168.4	0	0	0	0	110.7	F515 L516 R552 S553 Q558 V560 L583 I629	F515-V556 HydrophobicContact CE1-CG2 4.1Å; F515-V556 HydrophobicContact CZ-CG2 4.37Å; L516-V556 HydrophobicContact CD2-CG1 3.74Å; L516-V556 HydrophobicContact CD2-CG2 4.4Å; R552-V556 WeakPolarHBondContact O-CG2 3.48Å; R552-V556 PolarHBondContact O-N 3.16Å; S553-V556 WeakPolarHBondContact O-CB 3.43Å; S553-V556 PolarHBondContact O-N 3.11Å; V556-Q558 VanDerWaalsContact C-N 3.33Å; V556-Q558 PolarHBondContact O-N 2.71Å; V556-V560 HydrophobicContact CG1-CG2 4.15Å; V556-V560 VanDerWaalsContact O-CB 3.29Å; V556-V560 WeakPolarHBondContact O-CB 3.3Å; V556-V560 WeakPolarHBondContact O-CG2 3.19Å; V556-V560 PolarHBondContact O-N 2.96Å; V556-L583 HydrophobicContact CB-CD2 4.34Å; V556-L583 HydrophobicContact CG1-CD2 4.02Å; V556-I629 HydrophobicContact CG1-CD1 4.04Å; V556-I629 HydrophobicContact CG1-CG2 4.46Å
557	C	95.7	Very high	91.1	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.068	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-42.6	176.7	-65.3	0	0	0	0	112.8	S553 L554 R555 G561 V580	S553-C557 PolarHBondContact O-N 2.77Å; S553-C557 VanDerWaalsContact O-N 3.12Å; S553-C557 PolarHBondContact O-SG 3.2Å; S553-C557 VanDerWaalsContact O-SG 3.36Å; L554-C557 WeakPolarHBondContact O-CB 3.4Å; L554-C557 PolarHBondContact O-N 3.07Å; R555-C557 VanDerWaalsContact C-N 3.32Å; R555-C557 PolarHBondContact O-N 3.38Å; C557-G561 WeakPolarHBondContact O-CA 3.47Å; C557-G561 PolarHBondContact O-N 3.26Å; C557-V580 HydrophobicContact CB-CG1 3.89Å
558	Q	92.5	Very high	90.5	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.542	20%	0.203	S	C	.	.	H	α-helix	trans	-66.2	-51.7	-179.9	-71	169.9	-0.7	0	0	112.2	L554 R555 V556 G561 A562	L554-Q558 WeakPolarHBondContact O-CG 3.23Å; L554-Q558 PolarHBondContact O-N 3.24Å; R555-Q558 PolarHBondContact O-N 3.17Å; V556-Q558 VanDerWaalsContact C-N 3.33Å; V556-Q558 PolarHBondContact O-N 2.71Å; Q558-G561 PolarHBondContact O-N 2.68Å; Q558-A562 WeakPolarHBondContact O-CB 3.45Å; Q558-A562 PolarHBondContact O-N 3.37Å
559	V	92	Very high	89.9	Confident	14 Å²	14	45.6 Å²	45.6	9%	0.085	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-45.1	-176.6	174.5	0	0	0	0	110.8	L512 F515 R555 E563	L512-V559 HydrophobicContact CD1-CG1 4Å; F515-V559 HydrophobicContact CD1-CB 4.19Å; F515-V559 HydrophobicContact CD1-CG1 3.84Å; F515-V559 HydrophobicContact CE1-CB 3.69Å; F515-V559 HydrophobicContact CE1-CG1 3.88Å; F515-V559 HydrophobicContact CE1-CG2 3.88Å; F515-V559 HydrophobicContact CE2-CG2 4.44Å; F515-V559 HydrophobicContact CG-CG1 4.46Å; F515-V559 HydrophobicContact CZ-CB 4.17Å; F515-V559 HydrophobicContact CZ-CG2 3.82Å; R555-V559 HydrophobicContact CG-CG2 4.38Å; R555-V559 WeakPolarHBondContact O-CG2 3.43Å; R555-V559 PolarHBondContact O-N 2.73Å; V559-E563 WeakPolarHBondContact O-CB 3.48Å; V559-E563 PolarHBondContact O-N 3.36Å; V559-E563 VanDerWaalsContact O-N 3.11Å
560	V	92.5	Very high	89.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-42.9	177.7	179.6	0	0	0	0	110.5	L512 L516 V556 E563 M564 V576 V580 I629 V633	L512-V560 HydrophobicContact CD1-CG2 3.85Å; L516-V560 HydrophobicContact CD1-CG2 4.47Å; L516-V560 HydrophobicContact CD2-CG2 3.9Å; V556-V560 HydrophobicContact CG1-CG2 4.15Å; V556-V560 VanDerWaalsContact O-CB 3.29Å; V556-V560 WeakPolarHBondContact O-CB 3.3Å; V556-V560 WeakPolarHBondContact O-CG2 3.19Å; V556-V560 PolarHBondContact O-N 2.96Å; V560-E563 PolarHBondContact O-N 3.45Å; V560-M564 HydrophobicContact CG1-CG 4.27Å; V560-M564 WeakPolarHBondContact O-CB 3.27Å; V560-M564 VanDerWaalsContact O-CG 3.25Å; V560-M564 WeakPolarHBondContact O-CG 3.39Å; V560-M564 PolarHBondContact O-N 2.91Å; V560-V576 HydrophobicContact CG1-CG1 3.38Å; V560-V580 HydrophobicContact CB-CG2 3.9Å; V560-V580 HydrophobicContact CG1-CG2 3.5Å; V560-V580 VanDerWaalsContact CG1-CG2 3.5Å; V560-I629 HydrophobicContact CG1-CG2 4.11Å; V560-I629 HydrophobicContact CG2-CG2 3.86Å; V560-V633 HydrophobicContact CG1-CG2 4.49Å
561	G	91.3	Very high	88.7	Confident	17 Å²	17	47 Å²	47	18%	0.175	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-51.6	177.4	0	0	0	0	0	112	C557 Q558 E563 M564 E565	C557-G561 WeakPolarHBondContact O-CA 3.47Å; C557-G561 PolarHBondContact O-N 3.26Å; Q558-G561 PolarHBondContact O-N 2.68Å; G561-E563 PolarHBondContact O-N 2.77Å; G561-M564 CarbonylContact O-C 3.59Å; G561-M564 PolarHBondContact O-N 3.46Å; G561-M564 VanDerWaalsContact O-N 3.11Å; G561-E565 WeakPolarHBondContact O-CG 3.49Å; G561-E565 PolarHBondContact O-N 3.2Å
562	A	87.6	Confident	88.3	Confident	27 Å²	27	46.9 Å²	46.9	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.6	0	0	0	0	0	112.2	Q558 M564 E565 M566	Q558-A562 WeakPolarHBondContact O-CB 3.45Å; Q558-A562 PolarHBondContact O-N 3.37Å; A562-M564 VanDerWaalsContact C-N 3.31Å; A562-M564 PolarHBondContact O-N 3.28Å; A562-E565 PolarHBondContact O-N 3.49Å; A562-M566 WeakPolarHBondContact O-CG 3.47Å; A562-M566 PolarHBondContact O-N 3.3Å
563	E	85	Confident	87.9	Confident	33 Å²	33	46.3 Å²	46.3	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-34.6	176.1	179.1	70.1	-158.9	0	0	112.1	L512 V559 V560 G561 R567 R887	L512-E563 HydrophobicContact CD2-CG 4.11Å; V559-E563 WeakPolarHBondContact O-CB 3.48Å; V559-E563 PolarHBondContact O-N 3.36Å; V559-E563 VanDerWaalsContact O-N 3.11Å; V560-E563 PolarHBondContact O-N 3.45Å; G561-E563 PolarHBondContact O-N 2.77Å; E563-R567 IonicContact OE1-CZ 3.61Å; E563-R567 IonicContact OE1-NE 2.77Å; E563-R567 PolarHBondContact OE1-NE 3.14Å; E563-R567 IonicContact OE1-NH2 3.53Å; E563-R567 PolarHBondContact OE1-NH2 2.76Å; E563-R887 IonicContact OE2-CZ 2.93Å; E563-R887 IonicContact OE2-NE 3.79Å; E563-R887 PolarHBondContact OE2-NE 2.96Å; E563-R887 IonicContact OE2-NH2 3.03Å; E563-R887 PolarHBondContact OE2-NH2 3Å
564	M	87.4	Confident	87.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-78.7	-18	177.4	-67.6	-56.8	102	0	0	113.8	V560 G561 A562 Y572 V576 K577	V560-M564 HydrophobicContact CG1-CG 4.27Å; V560-M564 WeakPolarHBondContact O-CB 3.27Å; V560-M564 VanDerWaalsContact O-CG 3.25Å; V560-M564 WeakPolarHBondContact O-CG 3.39Å; V560-M564 PolarHBondContact O-N 2.91Å; G561-M564 CarbonylContact O-C 3.59Å; G561-M564 PolarHBondContact O-N 3.46Å; G561-M564 VanDerWaalsContact O-N 3.11Å; A562-M564 VanDerWaalsContact C-N 3.31Å; A562-M564 PolarHBondContact O-N 3.28Å; M564-Y572 HydrophobicContact CE-CE1 4.29Å; M564-Y572 HydrophobicContact SD-CE1 4.02Å; M564-V576 HydrophobicContact CG-CB 4.11Å; M564-V576 HydrophobicContact CG-CG1 3.66Å; M564-V576 HydrophobicContact SD-CB 3.87Å; M564-V576 HydrophobicContact SD-CG1 3.83Å; M564-V576 HydrophobicContact SD-CG2 4.2Å; M564-K577 HydrophobicContact CB-CG 4.1Å; M564-K577 HydrophobicContact CG-CG 4.5Å; M564-K577 WeakPolarHBondContact O-CE 3.39Å
565	E	85.1	Confident	87.2	Confident	131 Å²	131	53.4 Å²	53.4	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-74.9	-31.7	172.5	-76.4	174.8	-175.3	0	0	112.4	G561 A562 R567	G561-E565 WeakPolarHBondContact O-CG 3.49Å; G561-E565 PolarHBondContact O-N 3.2Å; A562-E565 PolarHBondContact O-N 3.49Å; E565-R567 PolarHBondContact O-N 3.18Å
566	M	79.5	Confident	87	Confident	64 Å²	64	51.8 Å²	51.8	32%	0.315	27%	0.274	S	S	.	.	S	Bend	trans	-76.8	-5.5	177.6	-54.1	-54.7	-97.9	0	0	112.9	A562 E888 Q890	A562-M566 WeakPolarHBondContact O-CG 3.47Å; A562-M566 PolarHBondContact O-N 3.3Å; M566-E888 HydrophobicContact CE-CB 3.94Å; M566-E888 WeakPolarHBondContact CE-O 3.34Å; M566-Q890 HydrophobicContact CE-CG 3.76Å; M566-Q890 HydrophobicContact SD-CG 4.06Å
567	R	79	Confident	86.9	Confident	83 Å²	83	54.6 Å²	54.6	31%	0.313	29%	0.286	S	S	.	.	S	Bend	trans	-102.3	146.6	-178.9	-69.1	-177.8	-173.2	-154.5	4.1	111.4	E563 E565	E563-R567 IonicContact OE1-CZ 3.61Å; E563-R567 IonicContact OE1-NE 2.77Å; E563-R567 PolarHBondContact OE1-NE 3.14Å; E563-R567 IonicContact OE1-NH2 3.53Å; E563-R567 PolarHBondContact OE1-NH2 2.76Å; E565-R567 PolarHBondContact O-N 3.18Å
568	P	80	Confident	86.8	Confident	95 Å²	95	59.5 Å²	59.5	62%	0.617	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-56.4	139.9	169.2	-22.3	32.6	0	0	0	111.5	D570 S573	P568-D570 PolarHBondContact O-N 3.02Å; P568-S573 PolarHBondContact O-OG 3.34Å
569	L	80.8	Confident	86.9	Confident	132 Å²	132	54.8 Å²	54.8	69%	0.691	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-65.6	118.1	176.3	-68.2	169.5	0	0	0	110.5
570	D	82.8	Confident	87.1	Confident	60 Å²	60	54.6 Å²	54.6	32%	0.321	29%	0.288	S	S	.	.			trans	-148.6	175.9	-178.5	71.1	1.5	0	0	0	111.2	P568 Y572 S573 N574	P568-D570 PolarHBondContact O-N 3.02Å; D570-Y572 PolarHBondContact O-N 2.82Å; D570-Y572 VanDerWaalsContact O-N 3.16Å; D570-Y572 PolarHBondContact OD1-N 3.45Å; D570-S573 PolarHBondContact N-OG 3.25Å; D570-S573 PolarHBondContact O-N 2.64Å; D570-S573 PolarHBondContact O-OG 2.85Å; D570-S573 WeakPolarHBondContact OD1-CB 3.41Å; D570-S573 PolarHBondContact OD1-N 3.5Å; D570-S573 PolarHBondContact OD1-OG 2.78Å; D570-N574 WeakPolarHBondContact O-CB 3.4Å; D570-N574 VanDerWaalsContact O-CG 3.27Å; D570-N574 PolarHBondContact O-N 2.67Å; D570-N574 PolarHBondContact O-ND2 3.45Å
571	A	82.3	Confident	87.3	Confident	76 Å²	76	57.6 Å²	57.6	63%	0.628	30%	0.303	S	S	*	.	H	α-helix	trans	-59.8	-27.7	-178	0	0	0	0	0	113.5	R575	A571-R575 WeakPolarHBondContact O-CB 3.34Å; A571-R575 PolarHBondContact O-N 3.24Å
572	Y	84.2	Confident	87.5	Confident	14 Å²	14	60 Å²	60	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-78.3	-52.9	178.8	160.6	-101.8	0	0	0	112.5	M564 D570 N574 R575 V576 A632 V633 N636	M564-Y572 HydrophobicContact CE-CE1 4.29Å; M564-Y572 HydrophobicContact SD-CE1 4.02Å; D570-Y572 PolarHBondContact O-N 2.82Å; D570-Y572 VanDerWaalsContact O-N 3.16Å; D570-Y572 PolarHBondContact OD1-N 3.45Å; Y572-N574 PolarHBondContact O-N 2.87Å; Y572-R575 WeakPolarHBondContact O-CA 3.35Å; Y572-R575 WeakPolarHBondContact O-CB 3.46Å; Y572-R575 PolarHBondContact O-N 3.43Å; Y572-V576 HydrophobicContact CD2-CG2 4.04Å; Y572-V576 HydrophobicContact CE1-CG2 4.36Å; Y572-V576 HydrophobicContact CE2-CG2 3.65Å; Y572-V576 WeakPolarHBondContact O-CG2 3.13Å; Y572-V576 PolarHBondContact O-N 2.92Å; Y572-A632 WeakPolarHBondContact CE2-O 3.5Å; Y572-V633 PolarHBondContact OH-O 2.96Å; Y572-V633 VanDerWaalsContact OH-O 3.13Å; Y572-N636 WeakPolarHBondContact CB-ND2 3.42Å; Y572-N636 HydrophobicContact CD2-CB 3.37Å; Y572-N636 WeakPolarHBondContact CD2-ND2 3.15Å; Y572-N636 HydrophobicContact CE2-CB 3.37Å; Y572-N636 HydrophobicContact CG-CB 3.95Å; Y572-N636 VanDerWaalsContact CG-CG 3.43Å
573	S	86.9	Confident	88	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-36.8	176.7	51.5	0	0	0	0	110.6	P568 D570 K577	P568-S573 PolarHBondContact O-OG 3.34Å; D570-S573 PolarHBondContact N-OG 3.25Å; D570-S573 PolarHBondContact O-N 2.64Å; D570-S573 PolarHBondContact O-OG 2.85Å; D570-S573 WeakPolarHBondContact OD1-CB 3.41Å; D570-S573 PolarHBondContact OD1-N 3.5Å; D570-S573 PolarHBondContact OD1-OG 2.78Å; S573-K577 VanDerWaalsContact O-CB 3.28Å; S573-K577 WeakPolarHBondContact O-CB 3.29Å; S573-K577 WeakPolarHBondContact O-CG 3.39Å; S573-K577 PolarHBondContact O-N 2.77Å
574	N	88	Confident	88.6	Confident	89 Å²	89	62.7 Å²	62.7	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-43	172.2	-73.1	-20.2	0	0	0	112.9	D570 Y572 K577 Q578	D570-N574 WeakPolarHBondContact O-CB 3.4Å; D570-N574 VanDerWaalsContact O-CG 3.27Å; D570-N574 PolarHBondContact O-N 2.67Å; D570-N574 PolarHBondContact O-ND2 3.45Å; Y572-N574 PolarHBondContact O-N 2.87Å; N574-K577 PolarHBondContact O-N 3.38Å; N574-Q578 WeakPolarHBondContact O-CB 3.16Å; N574-Q578 PolarHBondContact O-N 2.98Å
575	R	89.2	Confident	89	Confident	127 Å²	127	67 Å²	67	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-45.6	176.7	-172.7	-172.8	-59.6	141.1	2.3	111.7	A571 Y572 Q578 A579 A632	A571-R575 WeakPolarHBondContact O-CB 3.34Å; A571-R575 PolarHBondContact O-N 3.24Å; Y572-R575 WeakPolarHBondContact O-CA 3.35Å; Y572-R575 WeakPolarHBondContact O-CB 3.46Å; Y572-R575 PolarHBondContact O-N 3.43Å; R575-Q578 PolarHBondContact O-N 3.2Å; R575-A579 PolarHBondContact O-N 2.82Å; R575-A579 VanDerWaalsContact O-N 3.08Å; R575-A632 HydrophobicContact CG-CB 4.38Å
576	V	91.2	Very high	89.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-46.8	177.8	178.2	0	0	0	0	110.6	V560 M564 Y572 Q578 A579 V580 A632 V633	V560-V576 HydrophobicContact CG1-CG1 3.38Å; M564-V576 HydrophobicContact CG-CB 4.11Å; M564-V576 HydrophobicContact CG-CG1 3.66Å; M564-V576 HydrophobicContact SD-CB 3.87Å; M564-V576 HydrophobicContact SD-CG1 3.83Å; M564-V576 HydrophobicContact SD-CG2 4.2Å; Y572-V576 HydrophobicContact CD2-CG2 4.04Å; Y572-V576 HydrophobicContact CE1-CG2 4.36Å; Y572-V576 HydrophobicContact CE2-CG2 3.65Å; Y572-V576 WeakPolarHBondContact O-CG2 3.13Å; Y572-V576 PolarHBondContact O-N 2.92Å; V576-Q578 VanDerWaalsContact C-N 3.27Å; V576-Q578 PolarHBondContact O-N 2.92Å; V576-A579 PolarHBondContact O-N 2.89Å; V576-A579 VanDerWaalsContact O-N 3.16Å; V576-V580 WeakPolarHBondContact O-CG2 3.42Å; V576-V580 PolarHBondContact O-N 3.09Å; V576-A632 HydrophobicContact CG2-CB 4.01Å; V576-V633 HydrophobicContact CG1-CG2 3.85Å; V576-V633 HydrophobicContact CG2-CG2 4.16Å
577	K	92.6	Very high	90.3	Very high	59 Å²	59	60.5 Å²	60.5	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-38.6	176.1	-75.9	177.8	-176	-175.3	0	112	M564 S573 N574 V580 I581	M564-K577 HydrophobicContact CB-CG 4.1Å; M564-K577 HydrophobicContact CG-CG 4.5Å; M564-K577 WeakPolarHBondContact O-CE 3.39Å; S573-K577 VanDerWaalsContact O-CB 3.28Å; S573-K577 WeakPolarHBondContact O-CB 3.29Å; S573-K577 WeakPolarHBondContact O-CG 3.39Å; S573-K577 PolarHBondContact O-N 2.77Å; N574-K577 PolarHBondContact O-N 3.38Å; K577-V580 PolarHBondContact O-N 3.09Å; K577-I581 VanDerWaalsContact O-CG1 3.3Å; K577-I581 WeakPolarHBondContact O-CG1 3.47Å; K577-I581 PolarHBondContact O-N 3.25Å
578	Q	93.6	Very high	91.2	Very high	112 Å²	112	57 Å²	57	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176.2	-170.9	60.5	32.4	0	0	112.1	N574 R575 V576 V580 I581 V582	N574-Q578 WeakPolarHBondContact O-CB 3.16Å; N574-Q578 PolarHBondContact O-N 2.98Å; R575-Q578 PolarHBondContact O-N 3.2Å; V576-Q578 VanDerWaalsContact C-N 3.27Å; V576-Q578 PolarHBondContact O-N 2.92Å; Q578-V580 VanDerWaalsContact C-N 3.32Å; Q578-V580 PolarHBondContact O-N 3.41Å; Q578-I581 PolarHBondContact O-N 3.05Å; Q578-V582 WeakPolarHBondContact O-CG2 3.46Å; Q578-V582 PolarHBondContact O-N 3.14Å
579	A	94.3	Very high	91.9	Very high	17 Å²	17	54.8 Å²	54.8	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-40.1	175	0	0	0	0	0	111.7	R575 V576 I581 V582 L583 I629 A632	R575-A579 PolarHBondContact O-N 2.82Å; R575-A579 VanDerWaalsContact O-N 3.08Å; V576-A579 PolarHBondContact O-N 2.89Å; V576-A579 VanDerWaalsContact O-N 3.16Å; A579-I581 PolarHBondContact O-N 3.47Å; A579-V582 PolarHBondContact O-N 3.34Å; A579-L583 PolarHBondContact O-N 3.23Å; A579-L583 VanDerWaalsContact O-N 3.13Å; A579-I629 HydrophobicContact CB-CB 4.46Å; A579-I629 HydrophobicContact CB-CG1 3.66Å; A579-A632 HydrophobicContact CB-CB 4.41Å
580	V	96.1	Very high	92.6	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-42.3	173.6	171.2	0	0	0	0	111.9	C557 V560 V576 K577 Q578 V582 L583 R584 I629	C557-V580 HydrophobicContact CB-CG1 3.89Å; V560-V580 HydrophobicContact CB-CG2 3.9Å; V560-V580 HydrophobicContact CG1-CG2 3.5Å; V560-V580 VanDerWaalsContact CG1-CG2 3.5Å; V576-V580 WeakPolarHBondContact O-CG2 3.42Å; V576-V580 PolarHBondContact O-N 3.09Å; K577-V580 PolarHBondContact O-N 3.09Å; Q578-V580 VanDerWaalsContact C-N 3.32Å; Q578-V580 PolarHBondContact O-N 3.41Å; V580-V582 VanDerWaalsContact C-N 3.35Å; V580-V582 PolarHBondContact O-N 3.21Å; V580-L583 PolarHBondContact O-N 2.88Å; V580-R584 VanDerWaalsContact O-CB 3.31Å; V580-R584 WeakPolarHBondContact O-CB 3.45Å; V580-R584 PolarHBondContact O-N 2.91Å; V580-I629 HydrophobicContact CG2-CD1 4.05Å; V580-I629 HydrophobicContact CG2-CG1 4.29Å; V580-I629 HydrophobicContact CG2-CG2 4.45Å
581	I	95.8	Very high	93.3	Very high	62 Å²	62	49.4 Å²	49.4	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.3	-72.7	165.1	0	0	0	110.9	K577 Q578 A579 L583 R584 D585	K577-I581 VanDerWaalsContact O-CG1 3.3Å; K577-I581 WeakPolarHBondContact O-CG1 3.47Å; K577-I581 PolarHBondContact O-N 3.25Å; Q578-I581 PolarHBondContact O-N 3.05Å; A579-I581 PolarHBondContact O-N 3.47Å; I581-L583 PolarHBondContact O-N 2.63Å; I581-R584 PolarHBondContact O-N 2.71Å; I581-D585 WeakPolarHBondContact O-CB 3.43Å; I581-D585 PolarHBondContact O-N 3.15Å
582	V	96.7	Very high	93.8	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.418	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-45.5	177.9	172.6	0	0	0	0	111.4	Q578 A579 V580 S586 A587	Q578-V582 WeakPolarHBondContact O-CG2 3.46Å; Q578-V582 PolarHBondContact O-N 3.14Å; A579-V582 PolarHBondContact O-N 3.34Å; V580-V582 VanDerWaalsContact C-N 3.35Å; V580-V582 PolarHBondContact O-N 3.21Å; V582-S586 VanDerWaalsContact O-CB 3.32Å; V582-S586 WeakPolarHBondContact O-CB 3.49Å; V582-S586 PolarHBondContact O-N 2.64Å; V582-A587 PolarHBondContact O-N 2.64Å
583	L	97.6	Very high	94.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-61.5	-51.8	175.8	177.7	60.3	0	0	0	111.1	V556 A579 V580 I581 A587 I588 V622 A625 V626 I629	V556-L583 HydrophobicContact CB-CD2 4.34Å; V556-L583 HydrophobicContact CG1-CD2 4.02Å; A579-L583 PolarHBondContact O-N 3.23Å; A579-L583 VanDerWaalsContact O-N 3.13Å; V580-L583 PolarHBondContact O-N 2.88Å; I581-L583 PolarHBondContact O-N 2.63Å; L583-A587 HydrophobicContact CD1-CB 4.21Å; L583-A587 PolarHBondContact O-N 3.01Å; L583-I588 HydrophobicContact CD1-CD1 4.26Å; L583-I588 HydrophobicContact CD1-CG1 3.93Å; L583-I588 HydrophobicContact CG-CD1 4.05Å; L583-I588 HydrophobicContact CG-CG1 4.24Å; L583-I588 VanDerWaalsContact O-CG1 3.3Å; L583-I588 WeakPolarHBondContact O-CG1 3.47Å; L583-I588 PolarHBondContact O-N 3.25Å; L583-V622 HydrophobicContact CD1-CG1 4.21Å; L583-A625 HydrophobicContact CB-CB 4.05Å; L583-A625 HydrophobicContact CD1-CB 3.81Å; L583-V626 HydrophobicContact CD1-CG2 3.99Å; L583-V626 HydrophobicContact CD2-CG2 3.7Å; L583-I629 HydrophobicContact CB-CD1 3.82Å; L583-I629 HydrophobicContact CD2-CD1 3.46Å; L583-I629 VanDerWaalsContact CD2-CD1 3.46Å; L583-I629 HydrophobicContact CG-CD1 4.28Å
584	R	96.9	Very high	94.6	Very high	116 Å²	116	58.3 Å²	58.3	44%	0.438	28%	0.279	S	S	.	.	I	π-helix	trans	-67.2	-46.9	-173.3	-169	-173.8	66.2	-164.1	-6	113.5	V580 I581 P589	V580-R584 VanDerWaalsContact O-CB 3.31Å; V580-R584 WeakPolarHBondContact O-CB 3.45Å; V580-R584 PolarHBondContact O-N 2.91Å; I581-R584 PolarHBondContact O-N 2.71Å; R584-P589 VanDerWaalsContact O-CD 3.32Å; R584-P589 WeakPolarHBondContact O-CD 3.31Å
585	D	96.9	Very high	94.8	Very high	91 Å²	91	54.3 Å²	54.3	49%	0.487	26%	0.258	S	S	.	.	I	π-helix	trans	-99.9	-15.5	-165.5	-59.9	-15	0	0	0	112.2	I581	I581-D585 WeakPolarHBondContact O-CB 3.43Å; I581-D585 PolarHBondContact O-N 3.15Å
586	S	95.9	Very high	95.1	Very high	51 Å²	51	53.8 Å²	53.8	36%	0.357	26%	0.261	S	S	.	.	I	π-helix	trans	-121.5	-59.9	-179.3	-173.5	0	0	0	0	113.4	V582 P589 Q590	V582-S586 VanDerWaalsContact O-CB 3.32Å; V582-S586 WeakPolarHBondContact O-CB 3.49Å; V582-S586 PolarHBondContact O-N 2.64Å; S586-P589 WeakPolarHBondContact O-CD 3.42Å; S586-Q590 WeakPolarHBondContact O-CB 3.18Å; S586-Q590 VanDerWaalsContact O-CG 3.24Å; S586-Q590 WeakPolarHBondContact O-CG 3.35Å; S586-Q590 PolarHBondContact O-N 3.43Å; S586-Q590 PolarHBondContact O-NE2 3.45Å; S586-Q590 PolarHBondContact OG-NE2 2.85Å
587	A	96.1	Very high	95.2	Very high	6 Å²	6	56.8 Å²	56.8	5%	0.05	28%	0.279	C	S	.	.	I	π-helix	trans	-68.2	-49.6	-171.7	0	0	0	0	0	112.6	V582 L583 Q590 F591 V622 A625	V582-A587 PolarHBondContact O-N 2.64Å; L583-A587 HydrophobicContact CD1-CB 4.21Å; L583-A587 PolarHBondContact O-N 3.01Å; A587-Q590 PolarHBondContact O-N 3Å; A587-F591 WeakPolarHBondContact O-CB 3.35Å; A587-F591 PolarHBondContact O-N 3.17Å; A587-V622 HydrophobicContact CB-CG2 4.43Å; A587-A625 HydrophobicContact CB-CB 3.96Å
588	I	96.4	Very high	95.2	Very high	9 Å²	9	54 Å²	54	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-49.1	179.6	-65.5	170.4	0	0	0	111.9	R550 S553 L554 L583 Q590 F591 A592	R550-I588 HydrophobicContact CG-CG2 3.99Å; S553-I588 VanDerWaalsContact CB-CD1 3.41Å; L554-I588 HydrophobicContact CD2-CD1 3.82Å; L554-I588 HydrophobicContact CG-CD1 4.01Å; L583-I588 HydrophobicContact CD1-CD1 4.26Å; L583-I588 HydrophobicContact CD1-CG1 3.93Å; L583-I588 HydrophobicContact CG-CD1 4.05Å; L583-I588 HydrophobicContact CG-CG1 4.24Å; L583-I588 VanDerWaalsContact O-CG1 3.3Å; L583-I588 WeakPolarHBondContact O-CG1 3.47Å; L583-I588 PolarHBondContact O-N 3.25Å; I588-Q590 VanDerWaalsContact C-N 3.32Å; I588-Q590 PolarHBondContact O-N 2.94Å; I588-F591 PolarHBondContact O-N 3.33Å; I588-A592 WeakPolarHBondContact O-CB 3.45Å; I588-A592 PolarHBondContact O-N 3.16Å
589	P	96.5	Very high	95.2	Very high	49 Å²	49	50 Å²	50	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-67	-28.2	180	-24.5	36.4	0	0	0	114.5	R584 S586 R593	R584-P589 VanDerWaalsContact O-CD 3.32Å; R584-P589 WeakPolarHBondContact O-CD 3.31Å; S586-P589 WeakPolarHBondContact O-CD 3.42Å; P589-R593 WeakPolarHBondContact O-CG 3.37Å; P589-R593 PolarHBondContact O-N 2.81Å; P589-R593 PolarHBondContact O-NE 3.29Å
590	Q	95.4	Very high	95.1	Very high	77 Å²	77	54.4 Å²	54.4	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-46.7	173.4	-74.9	-175.4	67.4	0	0	111.1	S586 A587 I588 R594	S586-Q590 WeakPolarHBondContact O-CB 3.18Å; S586-Q590 VanDerWaalsContact O-CG 3.24Å; S586-Q590 WeakPolarHBondContact O-CG 3.35Å; S586-Q590 PolarHBondContact O-N 3.43Å; S586-Q590 PolarHBondContact O-NE2 3.45Å; S586-Q590 PolarHBondContact OG-NE2 2.85Å; A587-Q590 PolarHBondContact O-N 3Å; I588-Q590 VanDerWaalsContact C-N 3.32Å; I588-Q590 PolarHBondContact O-N 2.94Å; Q590-R594 WeakPolarHBondContact O-CG 3.05Å; Q590-R594 PolarHBondContact O-N 3.43Å
591	F	96.1	Very high	94.9	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-51.3	175.1	169.5	-97.4	0	0	0	112	A546 I549 A587 I588 R593 R594 A595 V618 V622	A546-F591 HydrophobicContact CB-CE1 4.18Å; A546-F591 HydrophobicContact CB-CZ 3.91Å; I549-F591 HydrophobicContact CB-CE1 3.8Å; I549-F591 HydrophobicContact CB-CZ 3.86Å; I549-F591 HydrophobicContact CD1-CE1 4.43Å; I549-F591 HydrophobicContact CD1-CE2 3.97Å; I549-F591 HydrophobicContact CD1-CZ 3.6Å; I549-F591 HydrophobicContact CG1-CZ 4.32Å; I549-F591 HydrophobicContact CG2-CD1 4.04Å; I549-F591 HydrophobicContact CG2-CE1 3.64Å; I549-F591 HydrophobicContact CG2-CE2 4.32Å; I549-F591 HydrophobicContact CG2-CZ 3.82Å; A587-F591 WeakPolarHBondContact O-CB 3.35Å; A587-F591 PolarHBondContact O-N 3.17Å; I588-F591 PolarHBondContact O-N 3.33Å; F591-R593 PolarHBondContact O-N 3.1Å; F591-R594 PolarHBondContact O-N 2.83Å; F591-R594 VanDerWaalsContact O-N 3.11Å; F591-A595 HydrophobicContact CE1-CB 4.44Å; F591-A595 HydrophobicContact CZ-CB 4.25Å; F591-A595 WeakPolarHBondContact O-CB 3.42Å; F591-A595 PolarHBondContact O-N 3.28Å; F591-V618 HydrophobicContact CB-CG1 4.16Å; F591-V618 HydrophobicContact CD2-CG1 4.08Å; F591-V622 HydrophobicContact CB-CG2 3.49Å; F591-V622 VanDerWaalsContact CB-CG2 3.49Å; F591-V622 HydrophobicContact CD1-CG2 4.43Å; F591-V622 HydrophobicContact CD2-CG2 4.24Å; F591-V622 HydrophobicContact CG-CG2 3.8Å
592	A	94	Very high	94.7	Very high	14 Å²	14	54.9 Å²	54.9	12%	0.116	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-48.8	-177.7	0	0	0	0	0	112.2	I588 R594 A595 E596	I588-A592 WeakPolarHBondContact O-CB 3.45Å; I588-A592 PolarHBondContact O-N 3.16Å; A592-R594 VanDerWaalsContact C-N 3.3Å; A592-R594 PolarHBondContact O-N 3.13Å; A592-A595 PolarHBondContact O-N 2.75Å; A592-E596 WeakPolarHBondContact O-CB 3.45Å; A592-E596 VanDerWaalsContact O-CG 3.31Å; A592-E596 WeakPolarHBondContact O-CG 3.39Å; A592-E596 PolarHBondContact O-N 3.13Å
593	R	94.3	Very high	94.5	Very high	155 Å²	155	54.7 Å²	54.7	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-59.7	-39.9	177.7	-77.1	-176.8	-71.5	162.1	-4.9	112.7	P589 F591 V597	P589-R593 WeakPolarHBondContact O-CG 3.37Å; P589-R593 PolarHBondContact O-N 2.81Å; P589-R593 PolarHBondContact O-NE 3.29Å; F591-R593 PolarHBondContact O-N 3.1Å; R593-V597 VanDerWaalsContact O-CG2 3.27Å; R593-V597 WeakPolarHBondContact O-CG2 3.29Å; R593-V597 PolarHBondContact O-N 3.49Å; R593-V597 VanDerWaalsContact O-N 3.13Å
594	R	92.6	Very high	94.1	Very high	108 Å²	108	59.6 Å²	59.6	41%	0.408	29%	0.29	S	S	.	.	H	α-helix	trans	-73.7	-38.6	-179.7	-72.7	-68.6	-168.2	153.7	10.4	112.1	Q590 F591 A592 V597 A598 E614 V618	Q590-R594 WeakPolarHBondContact O-CG 3.05Å; Q590-R594 PolarHBondContact O-N 3.43Å; F591-R594 PolarHBondContact O-N 2.83Å; F591-R594 VanDerWaalsContact O-N 3.11Å; A592-R594 VanDerWaalsContact C-N 3.3Å; A592-R594 PolarHBondContact O-N 3.13Å; R594-V597 PolarHBondContact O-N 3.13Å; R594-A598 WeakPolarHBondContact O-CB 3.23Å; R594-A598 PolarHBondContact O-N 3.41Å; R594-E614 IonicContact CZ-OE1 3.84Å; R594-E614 VanDerWaalsContact NH1-CD 3.3Å; R594-E614 IonicContact NH1-OE1 2.53Å; R594-E614 PolarHBondContact NH1-OE1 3.19Å; R594-E614 IonicContact NH1-OE2 3.17Å; R594-E614 PolarHBondContact NH1-OE2 2.97Å; R594-E614 IonicContact NH2-OE1 2.61Å; R594-E614 PolarHBondContact NH2-OE1 2.53Å; R594-V618 HydrophobicContact CB-CG1 3.88Å; R594-V618 HydrophobicContact CB-CG2 4.36Å; R594-V618 HydrophobicContact CG-CG1 4.11Å; R594-V618 HydrophobicContact CG-CG2 3.99Å
595	A	93.5	Very high	93.7	Very high	5 Å²	5	64 Å²	64	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-46.1	172.9	0	0	0	0	0	111.5	A546 F591 A592 V597 A598 V599	A546-A595 HydrophobicContact CB-CB 3.75Å; F591-A595 HydrophobicContact CE1-CB 4.44Å; F591-A595 HydrophobicContact CZ-CB 4.25Å; F591-A595 WeakPolarHBondContact O-CB 3.42Å; F591-A595 PolarHBondContact O-N 3.28Å; A592-A595 PolarHBondContact O-N 2.75Å; A595-V597 VanDerWaalsContact C-N 3.35Å; A595-V597 PolarHBondContact O-N 3.09Å; A595-A598 WeakPolarHBondContact O-CB 3.49Å; A595-A598 PolarHBondContact O-N 3.33Å; A595-A598 VanDerWaalsContact O-N 3.1Å; A595-V599 WeakPolarHBondContact O-CG2 3.11Å; A595-V599 PolarHBondContact O-N 2.89Å
596	E	93.8	Very high	93.1	Very high	116 Å²	116	65.2 Å²	65.2	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-44.8	175	-73.5	166.7	-164.4	0	0	111.9	A592 A598 V599 E600	A592-E596 WeakPolarHBondContact O-CB 3.45Å; A592-E596 VanDerWaalsContact O-CG 3.31Å; A592-E596 WeakPolarHBondContact O-CG 3.39Å; A592-E596 PolarHBondContact O-N 3.13Å; E596-A598 VanDerWaalsContact C-N 3.33Å; E596-A598 PolarHBondContact O-N 3.27Å; E596-V599 PolarHBondContact O-N 2.82Å; E596-E600 WeakPolarHBondContact O-CB 3.4Å; E596-E600 PolarHBondContact O-N 2.95Å
597	V	93.3	Very high	92.4	Very high	62 Å²	62	65.3 Å²	65.3	38%	0.376	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-37.7	175.6	169.8	0	0	0	0	111.9	R593 R594 A595 E600 K601	R593-V597 VanDerWaalsContact O-CG2 3.27Å; R593-V597 WeakPolarHBondContact O-CG2 3.29Å; R593-V597 PolarHBondContact O-N 3.49Å; R593-V597 VanDerWaalsContact O-N 3.13Å; R594-V597 PolarHBondContact O-N 3.13Å; A595-V597 VanDerWaalsContact C-N 3.35Å; A595-V597 PolarHBondContact O-N 3.09Å; V597-E600 PolarHBondContact O-N 3.28Å; V597-K601 HydrophobicContact CG1-CD 4.22Å; V597-K601 HydrophobicContact CG1-CG 4.46Å; V597-K601 WeakPolarHBondContact O-CB 2.87Å; V597-K601 VanDerWaalsContact O-CG 3.32Å; V597-K601 WeakPolarHBondContact O-CG 3.48Å; V597-K601 PolarHBondContact O-N 2.93Å
598	A	92.9	Very high	91.9	Very high	2 Å²	2	66.3 Å²	66.3	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-46.5	176.8	0	0	0	0	0	111.2	L542 R594 A595 E596 E600 K601 I602 V610 F615	L542-A598 HydrophobicContact CD2-CB 3.99Å; R594-A598 WeakPolarHBondContact O-CB 3.23Å; R594-A598 PolarHBondContact O-N 3.41Å; A595-A598 WeakPolarHBondContact O-CB 3.49Å; A595-A598 PolarHBondContact O-N 3.33Å; A595-A598 VanDerWaalsContact O-N 3.1Å; E596-A598 VanDerWaalsContact C-N 3.33Å; E596-A598 PolarHBondContact O-N 3.27Å; A598-E600 VanDerWaalsContact C-N 3.34Å; A598-E600 PolarHBondContact O-N 3.43Å; A598-K601 PolarHBondContact O-N 3.2Å; A598-I602 VanDerWaalsContact O-CG1 3.32Å; A598-I602 WeakPolarHBondContact O-CG1 3.45Å; A598-I602 PolarHBondContact O-N 3.47Å; A598-V610 HydrophobicContact CB-CG1 4.09Å; A598-V610 HydrophobicContact CB-CG2 4.08Å; A598-F615 HydrophobicContact CB-CD2 4.25Å; A598-F615 HydrophobicContact CB-CE2 3.99Å
599	V	93.2	Very high	91.4	Very high	26 Å²	26	74.4 Å²	74.4	16%	0.158	37%	0.373	C	S	.	.	H	α-helix	trans	-55.4	-47.8	173.2	168.4	0	0	0	0	110.5	V539 L542 D543 A595 E596 K601 I602 S603	V539-V599 HydrophobicContact CG1-CG1 3.92Å; L542-V599 HydrophobicContact CB-CG2 4.41Å; L542-V599 HydrophobicContact CD2-CG2 3.76Å; L542-V599 HydrophobicContact CG-CG2 3.8Å; D543-V599 HydrophobicContact CB-CG2 4.33Å; A595-V599 WeakPolarHBondContact O-CG2 3.11Å; A595-V599 PolarHBondContact O-N 2.89Å; E596-V599 PolarHBondContact O-N 2.82Å; V599-K601 PolarHBondContact O-N 3.09Å; V599-I602 PolarHBondContact O-N 3.23Å; V599-S603 VanDerWaalsContact O-CB 3.25Å; V599-S603 WeakPolarHBondContact O-CB 3.39Å; V599-S603 PolarHBondContact O-N 2.83Å; V599-S603 PolarHBondContact O-OG 2.64Å
600	E	93	Very high	91	Very high	110 Å²	110	73 Å²	73	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-40.4	179.6	-161	-152.6	132.2	0	0	112.4	E596 V597 A598 S603 K604	E596-E600 WeakPolarHBondContact O-CB 3.4Å; E596-E600 PolarHBondContact O-N 2.95Å; V597-E600 PolarHBondContact O-N 3.28Å; A598-E600 VanDerWaalsContact C-N 3.34Å; A598-E600 PolarHBondContact O-N 3.43Å; E600-S603 PolarHBondContact O-N 3.46Å; E600-K604 WeakPolarHBondContact O-CG 3.45Å; E600-K604 PolarHBondContact O-N 2.61Å; E600-K604 WeakPolarHBondContact OE1-CE 3.4Å; E600-K604 IonicContact OE1-NZ 3.42Å; E600-K604 PolarHBondContact OE1-NZ 3.39Å
601	K	92.4	Very high	90.8	Very high	75 Å²	75	73.4 Å²	73.4	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-44.3	177.5	-80.5	178.9	179.4	-177.5	0	111.8	V597 A598 V599 K604 G608 V610	V597-K601 HydrophobicContact CG1-CD 4.22Å; V597-K601 HydrophobicContact CG1-CG 4.46Å; V597-K601 WeakPolarHBondContact O-CB 2.87Å; V597-K601 VanDerWaalsContact O-CG 3.32Å; V597-K601 WeakPolarHBondContact O-CG 3.48Å; V597-K601 PolarHBondContact O-N 2.93Å; A598-K601 PolarHBondContact O-N 3.2Å; V599-K601 PolarHBondContact O-N 3.09Å; K601-K604 PolarHBondContact O-N 3.42Å; K601-G608 WeakPolarHBondContact O-CA 3.48Å; K601-G608 PolarHBondContact O-N 3.1Å; K601-V610 HydrophobicContact CB-CG2 4.08Å; K601-V610 HydrophobicContact CD-CG2 4.28Å
602	I	91.7	Very high	90.4	Very high	9 Å²	9	75.4 Å²	75.4	5%	0.046	38%	0.381	C	S	.	.	H	α-helix	trans	-72.1	-33.7	-179.5	-62.3	170.8	0	0	0	110.5	V534 K537 V539 L542 A598 V599 K604 P607 V610	V534-I602 HydrophobicContact CG2-CD1 4.37Å; K537-I602 HydrophobicContact CB-CG2 3.79Å; K537-I602 HydrophobicContact CG-CG2 4.41Å; K537-I602 WeakPolarHBondContact O-CG2 3.4Å; V539-I602 HydrophobicContact CG2-CB 4.09Å; V539-I602 HydrophobicContact CG2-CG2 3.53Å; L542-I602 HydrophobicContact CD2-CD1 3.74Å; A598-I602 VanDerWaalsContact O-CG1 3.32Å; A598-I602 WeakPolarHBondContact O-CG1 3.45Å; A598-I602 PolarHBondContact O-N 3.47Å; V599-I602 PolarHBondContact O-N 3.23Å; I602-K604 PolarHBondContact O-N 3.16Å; I602-P607 VanDerWaalsContact O-CB 3.26Å; I602-P607 WeakPolarHBondContact O-CB 3.35Å; I602-V610 HydrophobicContact CD1-CG2 3.99Å; I602-V610 HydrophobicContact CG1-CG2 3.77Å
603	S	91.7	Very high	90.3	Very high	64 Å²	64	80.3 Å²	80.3	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-67.6	-16.1	177.9	-62.1	0	0	0	0	114.5	V539 V599 E600	V539-S603 WeakPolarHBondContact CG1-OG 3.46Å; V599-S603 VanDerWaalsContact O-CB 3.25Å; V599-S603 WeakPolarHBondContact O-CB 3.39Å; V599-S603 PolarHBondContact O-N 2.83Å; V599-S603 PolarHBondContact O-OG 2.64Å; E600-S603 PolarHBondContact O-N 3.46Å
604	K	90.2	Very high	90	Very high	104 Å²	104	76.4 Å²	76.4	45%	0.452	39%	0.393	S	S	.	.	S	Bend	trans	-66.3	157.4	177.6	-75.7	167.2	-172.3	172.8	0	111.4	E600 K601 I602 P606 P607	E600-K604 WeakPolarHBondContact O-CG 3.45Å; E600-K604 PolarHBondContact O-N 2.61Å; E600-K604 WeakPolarHBondContact OE1-CE 3.4Å; E600-K604 IonicContact OE1-NZ 3.42Å; E600-K604 PolarHBondContact OE1-NZ 3.39Å; K601-K604 PolarHBondContact O-N 3.42Å; I602-K604 PolarHBondContact O-N 3.16Å; K604-P606 VanDerWaalsContact C-C 3.5Å; K604-P606 CarbonylContact C-O 3.48Å; K604-P606 CarbonylContact O-C 3.6Å; K604-P607 WeakPolarHBondContact O-CA 3.31Å
605	K	87.1	Confident	89.8	Confident	208 Å²	208	71.7 Å²	71.7	90%	0.904	38%	0.376	S	S	*	.	S	Bend	trans	-121	106.5	175.4	-68.2	-176	-179	179.2	0	109.3
606	P	84.4	Confident	89.7	Confident	116 Å²	116	74.7 Å²	74.7	75%	0.753	39%	0.39	S	S	*	.	S	Bend	cis	-71.4	154.9	1	30.5	-35.1	0	0	0	113.1	K604 G608	K604-P606 VanDerWaalsContact C-C 3.5Å; K604-P606 CarbonylContact C-O 3.48Å; K604-P606 CarbonylContact O-C 3.6Å; P606-G608 PolarHBondContact O-N 2.92Å
607	P	82.6	Confident	89.6	Confident	54 Å²	54	74.6 Å²	74.6	35%	0.351	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.6	124.6	-179.5	25.3	-34.3	0	0	0	110.3	K537 I602 K604	K537-P607 HydrophobicContact CD-CB 3.98Å; K537-P607 HydrophobicContact CD-CG 3.88Å; K537-P607 PolarHBondContact NZ-O 2.99Å; I602-P607 VanDerWaalsContact O-CB 3.26Å; I602-P607 WeakPolarHBondContact O-CB 3.35Å; K604-P607 WeakPolarHBondContact O-CA 3.31Å
608	G	84.2	Confident	89.4	Confident	26 Å²	26	72.4 Å²	72.4	27%	0.268	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-63.3	163.2	178.1	0	0	0	0	0	112.4	K601 P606	K601-G608 WeakPolarHBondContact O-CA 3.48Å; K601-G608 PolarHBondContact O-N 3.1Å; P606-G608 PolarHBondContact O-N 2.92Å
609	Q	86.3	Confident	89.3	Confident	180 Å²	180	72.3 Å²	72.3	84%	0.841	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-90.1	127.4	173.7	-167.8	169	-0.9	0	0	109.3
610	V	88.9	Confident	89.2	Confident	19 Å²	19	72.7 Å²	72.7	12%	0.115	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-97.3	134.8	168.9	179	0	0	0	0	106.8	V534 A598 K601 I602 V612 F615	V534-V610 HydrophobicContact CG1-CB 3.77Å; V534-V610 HydrophobicContact CG1-CG1 3.88Å; A598-V610 HydrophobicContact CB-CG1 4.09Å; A598-V610 HydrophobicContact CB-CG2 4.08Å; K601-V610 HydrophobicContact CB-CG2 4.08Å; K601-V610 HydrophobicContact CD-CG2 4.28Å; I602-V610 HydrophobicContact CD1-CG2 3.99Å; I602-V610 HydrophobicContact CG1-CG2 3.77Å; V610-V612 PolarHBondContact O-N 3.15Å; V610-F615 HydrophobicContact CG1-CB 4.36Å
611	D	90	Very high	89.2	Confident	85 Å²	85	71.1 Å²	71.1	46%	0.455	38%	0.383	S	S	.	.			trans	-71.9	113.9	172.5	-172.1	-34.3	0	0	0	108.1	D613 E614 F615	D611-D613 PolarHBondContact OD1-N 3.08Å; D611-E614 HydrophobicContact CB-CB 3.88Å; D611-E614 PolarHBondContact OD1-N 3.14Å; D611-E614 VanDerWaalsContact OD1-N 3.07Å; D611-F615 VanDerWaalsContact O-CB 3.27Å; D611-F615 WeakPolarHBondContact O-CB 3.48Å; D611-F615 PolarHBondContact O-N 2.88Å; D611-F615 VanDerWaalsContact O-N 3.08Å
612	V	89.1	Confident	89.3	Confident	46 Å²	46	67.5 Å²	67.5	28%	0.279	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-37.1	-175.2	179.7	0	0	0	0	110.5	I531 V534 V535 V610 F615 I616	I531-V612 HydrophobicContact CG2-CG1 4.22Å; V534-V612 HydrophobicContact CG1-CG2 4.08Å; V535-V612 HydrophobicContact CG2-CG2 4.35Å; V610-V612 PolarHBondContact O-N 3.15Å; V612-F615 PolarHBondContact O-N 2.66Å; V612-I616 HydrophobicContact CG1-CD1 3.84Å; V612-I616 HydrophobicContact CG1-CG1 4.33Å; V612-I616 WeakPolarHBondContact O-CB 3.19Å; V612-I616 WeakPolarHBondContact O-CG1 3.47Å; V612-I616 PolarHBondContact O-N 3.33Å
613	D	90.3	Very high	89.4	Confident	117 Å²	117	69.8 Å²	69.8	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-69.9	-45.3	-178.7	-64.3	-34.1	0	0	0	110.1	D611 F615 I616 D617	D611-D613 PolarHBondContact OD1-N 3.08Å; D613-F615 PolarHBondContact O-N 3.02Å; D613-I616 PolarHBondContact O-N 3.4Å; D613-D617 PolarHBondContact O-N 2.99Å
614	E	88.3	Confident	89.5	Confident	73 Å²	73	70.2 Å²	70.2	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-59.8	-37.9	173.3	-170.8	-174.1	-162.8	0	0	111.2	R594 D611 D617 V618	R594-E614 IonicContact CZ-OE1 3.84Å; R594-E614 VanDerWaalsContact NH1-CD 3.3Å; R594-E614 IonicContact NH1-OE1 2.53Å; R594-E614 PolarHBondContact NH1-OE1 3.19Å; R594-E614 IonicContact NH1-OE2 3.17Å; R594-E614 PolarHBondContact NH1-OE2 2.97Å; R594-E614 IonicContact NH2-OE1 2.61Å; R594-E614 PolarHBondContact NH2-OE1 2.53Å; D611-E614 HydrophobicContact CB-CB 3.88Å; D611-E614 PolarHBondContact OD1-N 3.14Å; D611-E614 VanDerWaalsContact OD1-N 3.07Å; E614-D617 PolarHBondContact O-N 3.32Å; E614-V618 VanDerWaalsContact O-CG2 3.29Å; E614-V618 WeakPolarHBondContact O-CG2 3.13Å; E614-V618 PolarHBondContact O-N 3.31Å
615	F	89.8	Confident	89.7	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.035	35%	0.353	C	S	.	.	H	α-helix	trans	-71.6	-37.2	179	-168.2	-98.6	0	0	0	112.4	C530 V534 L542 A598 V610 D611 V612 D613 V618 C619	C530-F615 HydrophobicContact CB-CE1 3.75Å; C530-F615 HydrophobicContact CB-CZ 4.2Å; V534-F615 HydrophobicContact CG2-CD1 3.97Å; V534-F615 HydrophobicContact CG2-CE1 3.92Å; V534-F615 HydrophobicContact CG2-CG 4.4Å; V534-F615 HydrophobicContact CG2-CZ 4.3Å; L542-F615 HydrophobicContact CD1-CE1 4.35Å; L542-F615 HydrophobicContact CD1-CZ 3.88Å; A598-F615 HydrophobicContact CB-CD2 4.25Å; A598-F615 HydrophobicContact CB-CE2 3.99Å; V610-F615 HydrophobicContact CG1-CB 4.36Å; D611-F615 VanDerWaalsContact O-CB 3.27Å; D611-F615 WeakPolarHBondContact O-CB 3.48Å; D611-F615 PolarHBondContact O-N 2.88Å; D611-F615 VanDerWaalsContact O-N 3.08Å; V612-F615 PolarHBondContact O-N 2.66Å; D613-F615 PolarHBondContact O-N 3.02Å; F615-V618 PolarHBondContact O-N 3.48Å; F615-C619 PolarHBondContact O-N 3.49Å; F615-C619 PolarHBondContact O-SG 3.49Å
616	I	90.9	Very high	90.1	Very high	69 Å²	69	55.6 Å²	55.6	35%	0.354	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-45.8	171.8	-72.9	165.2	0	0	0	110.3	I531 V612 D613 V618 C619 G620	I531-I616 HydrophobicContact CD1-CD1 4.44Å; I531-I616 HydrophobicContact CD1-CG1 3.7Å; I531-I616 HydrophobicContact CG1-CG1 3.91Å; V612-I616 HydrophobicContact CG1-CD1 3.84Å; V612-I616 HydrophobicContact CG1-CG1 4.33Å; V612-I616 WeakPolarHBondContact O-CB 3.19Å; V612-I616 WeakPolarHBondContact O-CG1 3.47Å; V612-I616 PolarHBondContact O-N 3.33Å; D613-I616 PolarHBondContact O-N 3.4Å; I616-V618 VanDerWaalsContact C-N 3.29Å; I616-V618 PolarHBondContact O-N 2.89Å; I616-C619 WeakPolarHBondContact O-CB 3.4Å; I616-C619 PolarHBondContact O-N 3.12Å; I616-G620 PolarHBondContact O-N 3.26Å
617	D	90.7	Very high	90.4	Very high	114 Å²	114	51.8 Å²	51.8	61%	0.61	28%	0.281	S	S	*	.	H	α-helix	trans	-58.7	-42.2	178.5	-73.8	-20	0	0	0	111.6	D613 E614 G620 L621	D613-D617 PolarHBondContact O-N 2.99Å; E614-D617 PolarHBondContact O-N 3.32Å; D617-G620 WeakPolarHBondContact O-CA 2.95Å; D617-G620 PolarHBondContact O-N 2.98Å; D617-G620 VanDerWaalsContact O-N 3.17Å; D617-L621 PolarHBondContact O-N 3.41Å; D617-L621 VanDerWaalsContact O-N 3.09Å
618	V	90	Very high	90.8	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-41.1	178.6	173.8	0	0	0	0	112.1	F591 R594 E614 F615 I616 G620 L621	F591-V618 HydrophobicContact CB-CG1 4.16Å; F591-V618 HydrophobicContact CD2-CG1 4.08Å; R594-V618 HydrophobicContact CB-CG1 3.88Å; R594-V618 HydrophobicContact CB-CG2 4.36Å; R594-V618 HydrophobicContact CG-CG1 4.11Å; R594-V618 HydrophobicContact CG-CG2 3.99Å; E614-V618 VanDerWaalsContact O-CG2 3.29Å; E614-V618 WeakPolarHBondContact O-CG2 3.13Å; E614-V618 PolarHBondContact O-N 3.31Å; F615-V618 PolarHBondContact O-N 3.48Å; I616-V618 VanDerWaalsContact C-N 3.29Å; I616-V618 PolarHBondContact O-N 2.89Å; V618-G620 VanDerWaalsContact C-N 3.28Å; V618-G620 PolarHBondContact O-N 2.94Å; V618-L621 WeakPolarHBondContact O-CB 3.43Å; V618-L621 PolarHBondContact O-N 3.25Å
619	C	91.5	Very high	91.2	Very high	1 Å²	1	51 Å²	51	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-40.1	170.6	-74.9	0	0	0	0	111.5	V527 F615 I616 L621 V622 H623	V527-C619 HydrophobicContact CB-CB 4.32Å; V527-C619 HydrophobicContact CG1-CB 3.61Å; V527-C619 HydrophobicContact CG2-CB 3.76Å; F615-C619 PolarHBondContact O-N 3.49Å; F615-C619 PolarHBondContact O-SG 3.49Å; I616-C619 WeakPolarHBondContact O-CB 3.4Å; I616-C619 PolarHBondContact O-N 3.12Å; C619-L621 VanDerWaalsContact C-N 3.27Å; C619-L621 PolarHBondContact O-N 3.13Å; C619-V622 PolarHBondContact O-N 3.07Å; C619-H623 PolarHBondContact O-N 3.26Å
620	G	90.8	Very high	91.3	Very high	34 Å²	34	43.2 Å²	43.2	35%	0.351	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-34.2	176.2	0	0	0	0	0	113.4	I616 D617 V618 V622 H623 K624	I616-G620 PolarHBondContact O-N 3.26Å; D617-G620 WeakPolarHBondContact O-CA 2.95Å; D617-G620 PolarHBondContact O-N 2.98Å; D617-G620 VanDerWaalsContact O-N 3.17Å; V618-G620 VanDerWaalsContact C-N 3.28Å; V618-G620 PolarHBondContact O-N 2.94Å; G620-V622 PolarHBondContact O-N 2.99Å; G620-H623 PolarHBondContact O-N 3.27Å; G620-K624 WeakPolarHBondContact O-CB 3.43Å; G620-K624 PolarHBondContact O-N 3.32Å
621	L	92.8	Very high	91.1	Very high	76 Å²	76	43.4 Å²	43.4	40%	0.398	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-42.8	175.8	-65.2	175.5	0	0	0	112.5	D617 V618 C619 A625	D617-L621 PolarHBondContact O-N 3.41Å; D617-L621 VanDerWaalsContact O-N 3.09Å; V618-L621 WeakPolarHBondContact O-CB 3.43Å; V618-L621 PolarHBondContact O-N 3.25Å; C619-L621 VanDerWaalsContact C-N 3.27Å; C619-L621 PolarHBondContact O-N 3.13Å; L621-A625 VanDerWaalsContact O-CB 3.32Å; L621-A625 WeakPolarHBondContact O-CB 3.41Å; L621-A625 PolarHBondContact O-N 3.41Å
622	V	94.8	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.4	-48	180	176.8	0	0	0	0	110.3	I523 I549 S553 L583 A587 F591 C619 G620 K624 A625 V626	I523-V622 HydrophobicContact CG2-CG1 4.4Å; I549-V622 HydrophobicContact CG2-CB 4.43Å; I549-V622 HydrophobicContact CG2-CG1 3.84Å; S553-V622 WeakPolarHBondContact OG-CG1 3.38Å; L583-V622 HydrophobicContact CD1-CG1 4.21Å; A587-V622 HydrophobicContact CB-CG2 4.43Å; F591-V622 HydrophobicContact CB-CG2 3.49Å; F591-V622 VanDerWaalsContact CB-CG2 3.49Å; F591-V622 HydrophobicContact CD1-CG2 4.43Å; F591-V622 HydrophobicContact CD2-CG2 4.24Å; F591-V622 HydrophobicContact CG-CG2 3.8Å; C619-V622 PolarHBondContact O-N 3.07Å; G620-V622 PolarHBondContact O-N 2.99Å; V622-K624 VanDerWaalsContact C-N 3.34Å; V622-K624 PolarHBondContact O-N 3.12Å; V622-A625 PolarHBondContact O-N 2.94Å; V622-V626 WeakPolarHBondContact O-CG2 3.27Å; V622-V626 PolarHBondContact O-N 3.46Å
623	H	92.9	Very high	90.7	Very high	57 Å²	57	37.8 Å²	37.8	26%	0.264	20%	0.201	S	C	.	.	H	α-helix	trans	-58.5	-47.2	177.9	177.9	-149.7	0	0	0	111.1	E520 C619 G620 A625 V626 Q627	E520-H623 IonicContact OE1-CD2 3.41Å; E520-H623 IonicContact OE1-NE2 2.63Å; E520-H623 PolarHBondContact OE1-NE2 2.88Å; C619-H623 PolarHBondContact O-N 3.26Å; G620-H623 PolarHBondContact O-N 3.27Å; H623-A625 PolarHBondContact O-N 3.44Å; H623-V626 PolarHBondContact O-N 3.32Å; H623-Q627 WeakPolarHBondContact O-CB 3.35Å; H623-Q627 PolarHBondContact O-N 3.38Å
624	K	93.2	Very high	90	Very high	72 Å²	72	33.9 Å²	33.9	31%	0.313	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-43.8	178	-177.6	53.2	174.8	155.2	0	112.4	G620 V622 V626 Q627 D628	G620-K624 WeakPolarHBondContact O-CB 3.43Å; G620-K624 PolarHBondContact O-N 3.32Å; V622-K624 VanDerWaalsContact C-N 3.34Å; V622-K624 PolarHBondContact O-N 3.12Å; K624-V626 VanDerWaalsContact C-N 3.35Å; K624-V626 PolarHBondContact O-N 2.91Å; K624-Q627 WeakPolarHBondContact O-CB 3.36Å; K624-Q627 PolarHBondContact O-N 2.89Å; K624-D628 WeakPolarHBondContact CE-OD1 3.44Å; K624-D628 IonicContact NZ-OD1 3.89Å; K624-D628 PolarHBondContact NZ-OD1 3.38Å; K624-D628 WeakPolarHBondContact O-CB 3.41Å; K624-D628 PolarHBondContact O-N 2.83Å
625	A	95.4	Very high	89	Confident	6 Å²	6	36.4 Å²	36.4	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-37.6	178	0	0	0	0	0	112.7	L583 A587 L621 V622 H623 D628 I629	L583-A625 HydrophobicContact CB-CB 4.05Å; L583-A625 HydrophobicContact CD1-CB 3.81Å; A587-A625 HydrophobicContact CB-CB 3.96Å; L621-A625 VanDerWaalsContact O-CB 3.32Å; L621-A625 WeakPolarHBondContact O-CB 3.41Å; L621-A625 PolarHBondContact O-N 3.41Å; V622-A625 PolarHBondContact O-N 2.94Å; H623-A625 PolarHBondContact O-N 3.44Å; A625-D628 PolarHBondContact O-N 3.29Å; A625-I629 WeakPolarHBondContact O-CG1 3.34Å; A625-I629 PolarHBondContact O-N 3.01Å; A625-I629 VanDerWaalsContact O-N 3.13Å
626	V	94.8	Very high	87.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-42.5	173	172	0	0	0	0	111.1	E520 I523 L583 V622 H623 K624 D628 I629 R630	E520-V626 HydrophobicContact CB-CG1 4.15Å; E520-V626 HydrophobicContact CG-CG1 4.47Å; I523-V626 HydrophobicContact CD1-CG1 4.37Å; I523-V626 HydrophobicContact CD1-CG2 3.76Å; L583-V626 HydrophobicContact CD1-CG2 3.99Å; L583-V626 HydrophobicContact CD2-CG2 3.7Å; V622-V626 WeakPolarHBondContact O-CG2 3.27Å; V622-V626 PolarHBondContact O-N 3.46Å; H623-V626 PolarHBondContact O-N 3.32Å; K624-V626 VanDerWaalsContact C-N 3.35Å; K624-V626 PolarHBondContact O-N 2.91Å; V626-D628 VanDerWaalsContact C-N 3.32Å; V626-D628 PolarHBondContact O-N 3.29Å; V626-I629 WeakPolarHBondContact O-CB 3.31Å; V626-I629 PolarHBondContact O-N 2.99Å; V626-R630 PolarHBondContact O-N 2.81Å
627	Q	91	Very high	85.9	Confident	35 Å²	35	40.6 Å²	40.6	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-42.6	175.8	-161.6	-166.2	29.1	0	0	111.3	H623 K624 I629 R630 H631	H623-Q627 WeakPolarHBondContact O-CB 3.35Å; H623-Q627 PolarHBondContact O-N 3.38Å; K624-Q627 WeakPolarHBondContact O-CB 3.36Å; K624-Q627 PolarHBondContact O-N 2.89Å; Q627-I629 VanDerWaalsContact C-N 3.34Å; Q627-I629 PolarHBondContact O-N 3.31Å; Q627-R630 WeakPolarHBondContact O-CB 3.43Å; Q627-R630 PolarHBondContact O-N 3.22Å; Q627-H631 VanDerWaalsContact CG-CE1 3.46Å; Q627-H631 WeakPolarHBondContact CG-CE1 3.29Å; Q627-H631 PolarHBondContact O-N 3.36Å; Q627-H631 PolarHBondContact O-ND1 2.93Å
628	D	91.6	Very high	83.8	Confident	64 Å²	64	38.1 Å²	38.1	34%	0.342	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-35	178	-69	-18.8	0	0	0	112.3	K624 A625 V626 A632	K624-D628 WeakPolarHBondContact CE-OD1 3.44Å; K624-D628 IonicContact NZ-OD1 3.89Å; K624-D628 PolarHBondContact NZ-OD1 3.38Å; K624-D628 WeakPolarHBondContact O-CB 3.41Å; K624-D628 PolarHBondContact O-N 2.83Å; A625-D628 PolarHBondContact O-N 3.29Å; V626-D628 VanDerWaalsContact C-N 3.32Å; V626-D628 PolarHBondContact O-N 3.29Å; D628-A632 VanDerWaalsContact O-CB 3.26Å; D628-A632 WeakPolarHBondContact O-CB 3.4Å; D628-A632 PolarHBondContact O-N 2.89Å
629	I	92.4	Very high	81.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-49.2	170.2	-68.2	167.4	0	0	0	110.3	L516 V556 V560 A579 V580 L583 A625 V626 Q627 H631 A632 V633	L516-I629 HydrophobicContact CD1-CG2 4.5Å; L516-I629 HydrophobicContact CD2-CG2 4.19Å; V556-I629 HydrophobicContact CG1-CD1 4.04Å; V556-I629 HydrophobicContact CG1-CG2 4.46Å; V560-I629 HydrophobicContact CG1-CG2 4.11Å; V560-I629 HydrophobicContact CG2-CG2 3.86Å; A579-I629 HydrophobicContact CB-CB 4.46Å; A579-I629 HydrophobicContact CB-CG1 3.66Å; V580-I629 HydrophobicContact CG2-CD1 4.05Å; V580-I629 HydrophobicContact CG2-CG1 4.29Å; V580-I629 HydrophobicContact CG2-CG2 4.45Å; L583-I629 HydrophobicContact CB-CD1 3.82Å; L583-I629 HydrophobicContact CD2-CD1 3.46Å; L583-I629 VanDerWaalsContact CD2-CD1 3.46Å; L583-I629 HydrophobicContact CG-CD1 4.28Å; A625-I629 WeakPolarHBondContact O-CG1 3.34Å; A625-I629 PolarHBondContact O-N 3.01Å; A625-I629 VanDerWaalsContact O-N 3.13Å; V626-I629 WeakPolarHBondContact O-CB 3.31Å; V626-I629 PolarHBondContact O-N 2.99Å; Q627-I629 VanDerWaalsContact C-N 3.34Å; Q627-I629 PolarHBondContact O-N 3.31Å; I629-H631 VanDerWaalsContact C-N 3.3Å; I629-H631 PolarHBondContact O-N 3.41Å; I629-A632 PolarHBondContact O-N 2.97Å; I629-A632 VanDerWaalsContact O-N 3.17Å; I629-V633 HydrophobicContact CG2-CG2 4.38Å; I629-V633 WeakPolarHBondContact O-CG2 3.45Å; I629-V633 PolarHBondContact O-N 2.99Å
630	R	89.1	Confident	79.4	Confident	17 Å²	17	41.6 Å²	41.6	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-46.6	177.9	-175.7	-179.5	171.4	-162.4	-7.8	110.9	L516 E520 V626 Q627 V633 L634	L516-R630 HydrophobicContact CB-CB 4.36Å; L516-R630 HydrophobicContact CB-CG 4.19Å; L516-R630 HydrophobicContact CD1-CB 4.49Å; E520-R630 WeakPolarHBondContact OE2-CD 3.33Å; E520-R630 IonicContact OE2-CZ 2.66Å; E520-R630 IonicContact OE2-NE 2.89Å; E520-R630 IonicContact OE2-NH1 3.99Å; E520-R630 PolarHBondContact OE2-NH1 2.94Å; V626-R630 PolarHBondContact O-N 2.81Å; Q627-R630 WeakPolarHBondContact O-CB 3.43Å; Q627-R630 PolarHBondContact O-N 3.22Å; R630-V633 PolarHBondContact O-N 3.09Å; R630-L634 HydrophobicContact CG-CD1 3.97Å; R630-L634 WeakPolarHBondContact O-CB 3.45Å; R630-L634 VanDerWaalsContact O-CG 3.28Å; R630-L634 WeakPolarHBondContact O-CG 3.42Å; R630-L634 PolarHBondContact O-N 3.08Å
631	H	84.6	Confident	77.3	Confident	23 Å²	23	43.6 Å²	43.6	11%	0.106	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-49.7	174.3	-66.1	154.7	0	0	0	112	Q627 I629 V633 L634 M635	Q627-H631 VanDerWaalsContact CG-CE1 3.46Å; Q627-H631 WeakPolarHBondContact CG-CE1 3.29Å; Q627-H631 PolarHBondContact O-N 3.36Å; Q627-H631 PolarHBondContact O-ND1 2.93Å; I629-H631 VanDerWaalsContact C-N 3.3Å; I629-H631 PolarHBondContact O-N 3.41Å; H631-V633 PolarHBondContact O-N 2.95Å; H631-L634 PolarHBondContact O-N 3.28Å; H631-L634 VanDerWaalsContact O-N 3.13Å; H631-M635 WeakPolarHBondContact O-CB 3.43Å; H631-M635 WeakPolarHBondContact O-CG 3.38Å; H631-M635 PolarHBondContact O-N 2.84Å
632	A	86.1	Confident	75.1	Confident	8 Å²	8	42.2 Å²	42.2	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-38.2	179.5	0	0	0	0	0	112	Y572 R575 V576 A579 D628 I629	Y572-A632 WeakPolarHBondContact CE2-O 3.5Å; R575-A632 HydrophobicContact CG-CB 4.38Å; V576-A632 HydrophobicContact CG2-CB 4.01Å; A579-A632 HydrophobicContact CB-CB 4.41Å; D628-A632 VanDerWaalsContact O-CB 3.26Å; D628-A632 WeakPolarHBondContact O-CB 3.4Å; D628-A632 PolarHBondContact O-N 2.89Å; I629-A632 PolarHBondContact O-N 2.97Å; I629-A632 VanDerWaalsContact O-N 3.17Å
633	V	84.1	Confident	72.8	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-46.2	176.3	169.8	0	0	0	0	111.6	L512 L516 V560 Y572 V576 I629 R630 H631	L512-V633 HydrophobicContact CD2-CB 4.48Å; L512-V633 HydrophobicContact CD2-CG1 3.65Å; L512-V633 HydrophobicContact CD2-CG2 3.92Å; L512-V633 HydrophobicContact CG-CG1 4.2Å; L516-V633 HydrophobicContact CD1-CB 4.12Å; L516-V633 HydrophobicContact CD1-CG1 4.2Å; L516-V633 HydrophobicContact CD1-CG2 3.96Å; V560-V633 HydrophobicContact CG1-CG2 4.49Å; Y572-V633 PolarHBondContact OH-O 2.96Å; Y572-V633 VanDerWaalsContact OH-O 3.13Å; V576-V633 HydrophobicContact CG1-CG2 3.85Å; V576-V633 HydrophobicContact CG2-CG2 4.16Å; I629-V633 HydrophobicContact CG2-CG2 4.38Å; I629-V633 WeakPolarHBondContact O-CG2 3.45Å; I629-V633 PolarHBondContact O-N 2.99Å; R630-V633 PolarHBondContact O-N 3.09Å; H631-V633 PolarHBondContact O-N 2.95Å
634	L	75.4	Confident	70.4	Confident	35 Å²	35	42.4 Å²	42.4	18%	0.183	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-28.9	-177.7	-69.2	174	0	0	0	113.6	D513 R630 H631 N636 R637 I642	D513-L634 WeakPolarHBondContact OD2-CD2 3.43Å; R630-L634 HydrophobicContact CG-CD1 3.97Å; R630-L634 WeakPolarHBondContact O-CB 3.45Å; R630-L634 VanDerWaalsContact O-CG 3.28Å; R630-L634 WeakPolarHBondContact O-CG 3.42Å; R630-L634 PolarHBondContact O-N 3.08Å; H631-L634 PolarHBondContact O-N 3.28Å; H631-L634 VanDerWaalsContact O-N 3.13Å; L634-N636 PolarHBondContact O-N 2.91Å; L634-R637 PolarHBondContact O-N 3.42Å; L634-I642 HydrophobicContact CD2-CD1 4.15Å; L634-I642 HydrophobicContact CD2-CG1 4.24Å
635	M	67.7	Low	68	Low	125 Å²	125	42.8 Å²	42.8	62%	0.616	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.9	-176.7	-76.2	-79	169.3	0	0	115.4	H631	H631-M635 WeakPolarHBondContact O-CB 3.43Å; H631-M635 WeakPolarHBondContact O-CG 3.38Å; H631-M635 PolarHBondContact O-N 2.84Å
636	N	58.4	Low	65.2	Low	71 Å²	71	47.2 Å²	47.2	38%	0.38	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	2.4	176.4	-95.8	32.9	0	0	0	114.1	Y572 L634	Y572-N636 WeakPolarHBondContact CB-ND2 3.42Å; Y572-N636 HydrophobicContact CD2-CB 3.37Å; Y572-N636 WeakPolarHBondContact CD2-ND2 3.15Å; Y572-N636 HydrophobicContact CE2-CB 3.37Å; Y572-N636 HydrophobicContact CG-CB 3.95Å; Y572-N636 VanDerWaalsContact CG-CG 3.43Å; L634-N636 PolarHBondContact O-N 2.91Å
637	R	55.7	Low	62.3	Low	95 Å²	95	52.6 Å²	52.6	36%	0.358	27%	0.273	S	S	.	.	S	Bend	trans	-95.8	148.7	-178.4	-151.4	174.7	-179	-179.7	-6	110.3	D513 L634 P639 D641	D513-R637 IonicContact OD1-NH1 2.89Å; D513-R637 WeakPolarHBondContact OD2-CD 3.37Å; D513-R637 IonicContact OD2-CZ 2.68Å; D513-R637 IonicContact OD2-NE 2.73Å; D513-R637 IonicContact OD2-NH1 2.89Å; D513-R637 PolarHBondContact OD2-NH1 3.34Å; L634-R637 PolarHBondContact O-N 3.42Å; R637-P639 WeakPolarHBondContact O-CD 3.39Å; R637-D641 HydrophobicContact CG-CB 4.11Å
638	D	48.5	Very low	59.6	Low	62 Å²	62	56.2 Å²	56.2	33%	0.332	29%	0.286	S	S	.	.			trans	-66	126.8	171.6	-170	-39.4	0	0	0	108.1	G640 D641 R733	D638-G640 PolarHBondContact O-N 3.41Å; D638-G640 PolarHBondContact OD1-N 2.91Å; D638-D641 WeakPolarHBondContact O-CB 3.46Å; D638-D641 PolarHBondContact O-N 3.05Å; D638-R733 WeakPolarHBondContact OD1-CD 3.49Å; D638-R733 IonicContact OD1-CZ 3.38Å; D638-R733 IonicContact OD1-NE 3.47Å; D638-R733 PolarHBondContact OD1-NE 3.33Å; D638-R733 IonicContact OD1-NH1 2.8Å; D638-R733 IonicContact OD1-NH2 3.33Å; D638-R733 PolarHBondContact OD1-NH2 3.46Å; D638-R733 VanDerWaalsContact OD1-NH2 3.14Å; D638-R733 IonicContact OD2-NE 2.88Å
639	P	42.4	Very low	56.6	Low	67 Å²	67	57.8 Å²	57.8	44%	0.435	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-52.6	-24.2	175.2	-27.5	34.8	0	0	0	113.9	R637 D641 I642	R637-P639 WeakPolarHBondContact O-CD 3.39Å; P639-D641 VanDerWaalsContact C-N 3.32Å; P639-D641 PolarHBondContact O-N 3.31Å; P639-I642 PolarHBondContact O-N 2.99Å
640	G	45.9	Very low	53.9	Low	21 Å²	21	63.5 Å²	63.5	22%	0.216	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-71.9	-17.5	173.1	0	0	0	0	0	116.2	D638 R733	D638-G640 PolarHBondContact O-N 3.41Å; D638-G640 PolarHBondContact OD1-N 2.91Å; G640-R733 VanDerWaalsContact CA-NH2 3.32Å
641	D	46.8	Very low	51	Low	76 Å²	76	71 Å²	71	41%	0.406	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-90.8	-7	174.7	-69.3	-21	0	0	0	112.1	R637 D638 P639 D643	R637-D641 HydrophobicContact CG-CB 4.11Å; D638-D641 WeakPolarHBondContact O-CB 3.46Å; D638-D641 PolarHBondContact O-N 3.05Å; P639-D641 VanDerWaalsContact C-N 3.32Å; P639-D641 PolarHBondContact O-N 3.31Å; D641-D643 PolarHBondContact O-N 2.86Å
642	I	45.8	Very low	48.3	Very low	48 Å²	48	79.2 Å²	79.2	25%	0.246	39%	0.385	C	S	.	.			trans	-82	96.2	178.3	-56.6	179.6	0	0	0	108.1	L634 P639 S644	L634-I642 HydrophobicContact CD2-CD1 4.15Å; L634-I642 HydrophobicContact CD2-CG1 4.24Å; P639-I642 PolarHBondContact O-N 2.99Å; I642-S644 PolarHBondContact O-N 3.21Å; I642-S644 VanDerWaalsContact O-N 3.09Å
643	D	47.7	Very low	45.6	Very low	33 Å²	33	84.3 Å²	84.3	18%	0.176	41%	0.411	C	S	.	.			trans	-73.9	73.6	160.1	-84	-5.5	0	0	0	107.8	K380 R384 R387 R388 D641	K380-D643 WeakPolarHBondContact CE-OD1 3.22Å; K380-D643 IonicContact NZ-OD1 3.74Å; K380-D643 PolarHBondContact NZ-OD1 2.88Å; R384-D643 HydrophobicContact CB-CB 4.49Å; R384-D643 WeakPolarHBondContact CD-O 3.43Å; R384-D643 HydrophobicContact CG-CB 4.01Å; R384-D643 PolarHBondContact NE-O 3.38Å; R387-D643 IonicContact CZ-OD2 3.79Å; R387-D643 IonicContact NH1-OD2 2.87Å; R387-D643 IonicContact NH2-OD2 3.21Å; R387-D643 PolarHBondContact NH2-OD2 3.24Å; R388-D643 PolarHBondContact NH2-O 3.49Å; R388-D643 VanDerWaalsContact NH2-O 3.09Å; D641-D643 PolarHBondContact O-N 2.86Å
644	S	40.9	Very low	43.2	Very low	27 Å²	27	89 Å²	89	19%	0.189	44%	0.444	C	S	.	.			trans	-129.4	139.3	176	-167.2	0	0	0	0	111.6	I642 E646	I642-S644 PolarHBondContact O-N 3.21Å; I642-S644 VanDerWaalsContact O-N 3.09Å; S644-E646 PolarHBondContact O-N 3.11Å; S644-E646 PolarHBondContact OG-N 3.33Å; S644-E646 PolarHBondContact OG-O 2.97Å
645	D	44.1	Very low	41	Very low	81 Å²	81	95.7 Å²	95.7	43%	0.433	47%	0.474	S	S	.	.	S	Bend	trans	-76.2	-18.4	178	-69.5	-33.3	0	0	0	109.9	R384 H385	R384-D645 VanDerWaalsContact CZ-CG 3.48Å; R384-D645 IonicContact CZ-OD1 2.56Å; R384-D645 IonicContact CZ-OD2 2.89Å; R384-D645 IonicContact NH1-OD1 2.74Å; R384-D645 PolarHBondContact NH1-OD1 3.39Å; R384-D645 IonicContact NH1-OD2 3.24Å; R384-D645 IonicContact NH2-OD1 2.79Å; R384-D645 PolarHBondContact NH2-OD1 2.98Å; R384-D645 IonicContact NH2-OD2 3.36Å; R384-D645 PolarHBondContact NH2-OD2 2.95Å; H385-D645 IonicContact CE1-OD2 2.93Å
646	E	36.1	Very low	39.2	Very low	99 Å²	99	99.3 Å²	99.3	46%	0.463	49%	0.487	S	S	.	.			trans	-130.6	102.5	-173	-67.8	164.6	-166.8	0	0	106.1	S644 Y648	S644-E646 PolarHBondContact O-N 3.11Å; S644-E646 PolarHBondContact OG-N 3.33Å; S644-E646 PolarHBondContact OG-O 2.97Å; E646-Y648 HydrophobicContact CB-CD2 4Å; E646-Y648 HydrophobicContact CB-CE2 3.6Å; E646-Y648 HydrophobicContact CG-CE2 4.47Å; E646-Y648 PolarHBondContact O-N 3.22Å; E646-Y648 WeakPolarHBondContact OE2-CE2 3.34Å; E646-Y648 VanDerWaalsContact OE2-CZ 3.24Å; E646-Y648 PolarHBondContact OE2-OH 3Å
647	E	33.1	Very low	38	Very low	112 Å²	112	100.2 Å²	100.2	52%	0.523	50%	0.504	S	S	.	.			trans	-73.2	95	161.7	-155.3	168.1	-156	0	0	105	E649	E647-E649 VanDerWaalsContact C-N 3.34Å; E647-E649 PolarHBondContact O-N 3.39Å
648	Y	34.7	Very low	37	Very low	111 Å²	111	100.1 Å²	100.1	44%	0.435	52%	0.518	S	S	.	.			trans	-72.7	95	170.7	-74.3	-91.8	0	0	0	107.4	E646 Y650	E646-Y648 HydrophobicContact CB-CD2 4Å; E646-Y648 HydrophobicContact CB-CE2 3.6Å; E646-Y648 HydrophobicContact CG-CE2 4.47Å; E646-Y648 PolarHBondContact O-N 3.22Å; E646-Y648 WeakPolarHBondContact OE2-CE2 3.34Å; E646-Y648 VanDerWaalsContact OE2-CZ 3.24Å; E646-Y648 PolarHBondContact OE2-OH 3Å; Y648-Y650 PolarHBondContact O-N 3.3Å
649	E	30.2	Very low	36.1	Very low	98 Å²	98	103.1 Å²	103.1	46%	0.458	54%	0.539	S	S	.	.			trans	-74	109.2	160.9	-73.7	-165.2	-174.3	0	0	108.5	E647 E651 K681	E647-E649 VanDerWaalsContact C-N 3.34Å; E647-E649 PolarHBondContact O-N 3.39Å; E649-E651 PolarHBondContact O-N 3.15Å; E649-K681 IonicContact OE1-NZ 3.86Å; E649-K681 PolarHBondContact OE1-NZ 3.33Å
650	Y	34.2	Very low	35.5	Very low	120 Å²	120	107 Å²	107	47%	0.471	56%	0.555	S	S	.	*			trans	-75.5	112.5	157	-144.2	-92.1	0	0	0	106.1	Y648 K652	Y648-Y650 PolarHBondContact O-N 3.3Å; Y650-K652 VanDerWaalsContact C-N 3.35Å; Y650-K652 PolarHBondContact O-N 2.96Å
651	E	28.4	Very low	34.7	Very low	173 Å²	173	108.8 Å²	108.8	81%	0.808	57%	0.574	S	S	*	*			trans	-50.8	109.4	153.7	-70.9	-173	168.1	0	0	105.3	E649 D653	E649-E651 PolarHBondContact O-N 3.15Å; E651-D653 VanDerWaalsContact C-N 3.34Å; E651-D653 PolarHBondContact O-N 2.86Å
652	K	29.2	Very low	34.4	Very low	197 Å²	197	111 Å²	111	86%	0.857	60%	0.595	S	S	*	*			trans	-48.4	112.7	164.2	-96.5	-178.8	178.5	169.8	0	104.7	Y650 S654	Y650-K652 VanDerWaalsContact C-N 3.35Å; Y650-K652 PolarHBondContact O-N 2.96Å; K652-S654 PolarHBondContact O-N 3.48Å; K652-S654 VanDerWaalsContact O-N 3.08Å
653	D	28.9	Very low	34.1	Very low	115 Å²	115	118.8 Å²	118.8	62%	0.615	63%	0.627	S	S	*	*			trans	-40.5	127.3	167.4	-79.5	-51.5	0	0	0	106.2	E651 E655	E651-D653 VanDerWaalsContact C-N 3.34Å; E651-D653 PolarHBondContact O-N 2.86Å; D653-E655 PolarHBondContact O-N 2.92Å
654	S	33	Very low	33.7	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	64%	0.644	S	S	*	*	S	Bend	trans	-61.7	23.3	-165.6	48.5	0	0	0	0	114.5	K652 K656 A657	K652-S654 PolarHBondContact O-N 3.48Å; K652-S654 VanDerWaalsContact O-N 3.08Å; S654-K656 PolarHBondContact O-N 3.43Å; S654-A657 PolarHBondContact O-N 3.48Å; S654-A657 VanDerWaalsContact O-N 3.13Å
655	E	30.4	Very low	33.7	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	63	169.5	-62.4	-163.5	166.2	0	0	111.8	D653	D653-E655 PolarHBondContact O-N 2.92Å
656	K	27.9	Very low	33.7	Very low	200 Å²	200	133.4 Å²	133.4	87%	0.87	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.6	27.2	140	-97.4	160	-165.4	-175.4	0	111.5	S654 S658	S654-K656 PolarHBondContact O-N 3.43Å; K656-S658 PolarHBondContact O-N 3Å
657	A	35.1	Very low	34.3	Very low	91 Å²	91	134 Å²	134	75%	0.752	70%	0.695	S	S	*	*			trans	-73.3	57.9	158.2	0	0	0	0	0	110.2	S654	S654-A657 PolarHBondContact O-N 3.48Å; S654-A657 VanDerWaalsContact O-N 3.13Å
658	S	33.8	Very low	35.8	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	69%	0.687	S	S	*	*	S	Bend	trans	-163.3	125.5	156.3	51.9	0	0	0	0	109.6	K656	K656-S658 PolarHBondContact O-N 3Å
659	T	28.9	Very low	37.3	Very low	125 Å²	125	128.6 Å²	128.6	77%	0.767	67%	0.674	S	S	*	*			trans	81.2	98.6	166.8	-12.5	0	0	0	0	116.1
660	L	30.9	Very low	39.3	Very low	148 Å²	148	127.7 Å²	127.7	78%	0.775	67%	0.667	S	S	*	*				171.8	110	118.1	-89.2	147	0	0	0	113.3
661	G	29.1	Very low	40.9	Very low	60 Å²	60	127 Å²	127	62%	0.619	67%	0.667	S	S	*	*			trans	62.2	115.5	130.1	0	0	0	0	0	120.8	K663	G661-K663 PolarHBondContact O-N 3.29Å
662	S	41	Very low	42.9	Very low	123 Å²	123	121.3 Å²	121.3	86%	0.86	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	32.3	175.4	41	0	0	0	0	117.7
663	K	39.4	Very low	45	Very low	210 Å²	210	112.5 Å²	112.5	91%	0.913	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	8.8	170.6	-81.3	-173.3	176	179.6	0	114.9	G661	G661-K663 PolarHBondContact O-N 3.29Å
664	Q	37.5	Very low	47.1	Very low	114 Å²	114	111.6 Å²	111.6	53%	0.533	60%	0.597	S	S	.	*			trans	-102	8.9	177.3	-74.8	-178.8	-17.6	0	0	114.9	E666 N668	Q664-E666 VanDerWaalsContact C-N 3.31Å; Q664-E666 PolarHBondContact O-N 3.49Å; Q664-N668 PolarHBondContact O-ND2 3.34Å; Q664-N668 PolarHBondContact O-OD1 3.39Å
665	Q	41.8	Very low	48.9	Very low	175 Å²	175	116.5 Å²	116.5	82%	0.818	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-25.2	-172.6	-149.8	171.1	9	0	0	114.1
666	E	43.9	Very low	50.9	Low	159 Å²	159	108.5 Å²	108.5	74%	0.743	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-32	-179.9	-76	-170.1	146.8	0	0	114.4	Q664 N668	Q664-E666 VanDerWaalsContact C-N 3.31Å; Q664-E666 PolarHBondContact O-N 3.49Å; E666-N668 VanDerWaalsContact C-N 3.35Å
667	D	49	Very low	53.2	Low	112 Å²	112	102 Å²	102	60%	0.599	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.8	-179.8	-96.5	-17.6	0	0	0	113	R669	D667-R669 VanDerWaalsContact C-N 3.31Å; D667-R669 PolarHBondContact O-N 2.98Å
668	N	64	Low	54.8	Low	64 Å²	64	103.3 Å²	103.3	34%	0.342	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.6	-176.4	-69.6	3.4	0	0	0	114.3	Q664 E666 R670 E671 L672	Q664-N668 PolarHBondContact O-ND2 3.34Å; Q664-N668 PolarHBondContact O-OD1 3.39Å; E666-N668 VanDerWaalsContact C-N 3.35Å; N668-R670 PolarHBondContact O-N 3.47Å; N668-E671 WeakPolarHBondContact O-CB 3.38Å; N668-E671 PolarHBondContact O-N 3.39Å; N668-L672 PolarHBondContact O-N 2.92Å
669	R	67.2	Low	56.8	Low	45 Å²	45	106 Å²	106	17%	0.17	53%	0.533	C	S	.	.	H	α-helix	trans	-67.3	-39.3	-171.9	-155.5	105.4	-179.1	-137.9	-5.3	113.3	D667 E671 L672 M673 F729 T739 V796 K797	D667-R669 VanDerWaalsContact C-N 3.31Å; D667-R669 PolarHBondContact O-N 2.98Å; R669-E671 VanDerWaalsContact C-N 3.31Å; R669-L672 WeakPolarHBondContact O-CB 3.46Å; R669-L672 PolarHBondContact O-N 3.47Å; R669-M673 PolarHBondContact O-N 2.8Å; R669-M673 VanDerWaalsContact O-N 3.15Å; R669-F729 HydrophobicContact CB-CZ 4.37Å; R669-F729 HydrophobicContact CG-CZ 4.09Å; R669-T739 WeakPolarHBondContact CD-OG1 3.36Å; R669-T739 PolarHBondContact NH1-OG1 3.39Å; R669-V796 PolarHBondContact NH1-O 3.13Å; R669-V796 PolarHBondContact NH2-O 3.36Å; R669-K797 VanDerWaalsContact NH2-C 3.28Å
670	R	71.5	Confident	59.3	Low	79 Å²	79	101.5 Å²	101.5	30%	0.298	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-41.5	173.8	-178.4	179.5	169.4	168.7	-3.3	111	N668 L672 M673 Q674 G732 G734 K737	N668-R670 PolarHBondContact O-N 3.47Å; R670-L672 VanDerWaalsContact C-N 3.34Å; R670-M673 PolarHBondContact O-N 3.24Å; R670-Q674 WeakPolarHBondContact O-CG 3.49Å; R670-Q674 PolarHBondContact O-N 3.29Å; R670-G732 VanDerWaalsContact CG-C 3.45Å; R670-G732 WeakPolarHBondContact CG-O 3.45Å; R670-G732 PolarHBondContact NE-O 2.8Å; R670-G732 WeakPolarHBondContact O-CA 3.49Å; R670-G734 PolarHBondContact NH1-O 3.31Å; R670-G734 VanDerWaalsContact NH1-O 3.14Å; R670-K737 WeakPolarHBondContact CB-O 3.34Å
671	E	67.9	Low	61.7	Low	105 Å²	105	96.3 Å²	96.3	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-65.4	-37.3	176.3	-59.9	-174.5	161.7	0	0	111.6	N668 R669 M673 Q674 R675	N668-E671 WeakPolarHBondContact O-CB 3.38Å; N668-E671 PolarHBondContact O-N 3.39Å; R669-E671 VanDerWaalsContact C-N 3.31Å; E671-M673 PolarHBondContact O-N 3.41Å; E671-Q674 WeakPolarHBondContact O-CB 3.43Å; E671-Q674 PolarHBondContact O-N 2.86Å; E671-Q674 VanDerWaalsContact O-N 3.14Å; E671-R675 WeakPolarHBondContact O-CG 3.44Å; E671-R675 PolarHBondContact O-N 2.8Å
672	L	70.6	Confident	64.1	Low	55 Å²	55	100.1 Å²	100.1	29%	0.288	47%	0.474	S	S	.	.	H	α-helix	trans	-60.6	-44.6	174	-177.3	66.6	0	0	0	111.8	N668 R669 R670 Q674 R675 L676 A798 V800	N668-L672 PolarHBondContact O-N 2.92Å; R669-L672 WeakPolarHBondContact O-CB 3.46Å; R669-L672 PolarHBondContact O-N 3.47Å; R670-L672 VanDerWaalsContact C-N 3.34Å; L672-Q674 PolarHBondContact O-N 3.1Å; L672-R675 PolarHBondContact O-N 2.86Å; L672-L676 PolarHBondContact O-N 2.91Å; L672-A798 HydrophobicContact CD2-CB 3.94Å; L672-V800 HydrophobicContact CD1-CG2 4.22Å; L672-V800 HydrophobicContact CD2-CG2 3.98Å
673	M	73.4	Confident	66.2	Low	12 Å²	12	99.3 Å²	99.3	6%	0.059	46%	0.455	C	S	.	.	H	α-helix	trans	-63	-29.5	175.7	-64.2	-55	-63.8	0	0	112.4	R669 R670 E671 R675 L676 I684 T730 A811 A815	R669-M673 PolarHBondContact O-N 2.8Å; R669-M673 VanDerWaalsContact O-N 3.15Å; R670-M673 PolarHBondContact O-N 3.24Å; E671-M673 PolarHBondContact O-N 3.41Å; M673-R675 VanDerWaalsContact C-N 3.28Å; M673-L676 HydrophobicContact CE-CD1 3.53Å; M673-L676 HydrophobicContact SD-CD1 4.07Å; M673-I684 HydrophobicContact CE-CD1 3.97Å; M673-T730 WeakPolarHBondContact CE-O 3.34Å; M673-A811 HydrophobicContact SD-CB 4.17Å; M673-A815 HydrophobicContact CE-CB 3.77Å
674	Q	72.2	Confident	68.4	Low	95 Å²	95	89.4 Å²	89.4	44%	0.444	41%	0.412	S	S	.	.	H	α-helix	trans	-73.1	-19.2	173.8	-67.4	178.1	-1.7	0	0	112.9	R670 E671 L672 K681 G732	R670-Q674 WeakPolarHBondContact O-CG 3.49Å; R670-Q674 PolarHBondContact O-N 3.29Å; E671-Q674 WeakPolarHBondContact O-CB 3.43Å; E671-Q674 PolarHBondContact O-N 2.86Å; E671-Q674 VanDerWaalsContact O-N 3.14Å; L672-Q674 PolarHBondContact O-N 3.1Å; Q674-K681 VanDerWaalsContact O-CE 3.29Å; Q674-K681 WeakPolarHBondContact O-CE 3.46Å; Q674-K681 PolarHBondContact O-NZ 3.14Å; Q674-G732 PolarHBondContact NE2-O 2.94Å
675	R	71.6	Confident	70.5	Confident	207 Å²	207	86.6 Å²	86.6	78%	0.781	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	10.2	-176.9	-64.4	176.4	94.4	172.6	6.7	113.7	E671 L672 M673	E671-R675 WeakPolarHBondContact O-CG 3.44Å; E671-R675 PolarHBondContact O-N 2.8Å; L672-R675 PolarHBondContact O-N 2.86Å; M673-R675 VanDerWaalsContact C-N 3.28Å
676	L	73.3	Confident	72.6	Confident	7 Å²	7	83.1 Å²	83.1	4%	0.037	38%	0.383	C	S	.	.	S	Bend	trans	-63.5	149.8	173.9	-66.8	174	0	0	0	110.8	L672 M673 E680 K681 I684 A809 A811	L672-L676 PolarHBondContact O-N 2.91Å; M673-L676 HydrophobicContact CE-CD1 3.53Å; M673-L676 HydrophobicContact SD-CD1 4.07Å; L676-E680 HydrophobicContact CB-CB 4.46Å; L676-E680 WeakPolarHBondContact CD2-OE2 3.31Å; L676-K681 HydrophobicContact CB-CG 4.12Å; L676-K681 WeakPolarHBondContact O-CE 3.46Å; L676-I684 HydrophobicContact CD1-CD1 3.64Å; L676-A809 HydrophobicContact CD2-CB 3.71Å; L676-A811 HydrophobicContact CD1-CB 4.49Å; L676-A811 HydrophobicContact CD2-CB 3.76Å
677	P	74.9	Confident	74.6	Confident	63 Å²	63	78 Å²	78	41%	0.409	36%	0.359	S	S	.	.			trans	-55.3	147.3	172.1	-22.3	32.2	0	0	0	112.1	E679 E680 K681	P677-E679 VanDerWaalsContact C-N 3.26Å; P677-E679 PolarHBondContact O-N 2.91Å; P677-E680 HydrophobicContact CB-CG 4.28Å; P677-E680 HydrophobicContact CG-CG 4.27Å; P677-E680 WeakPolarHBondContact O-CB 3.46Å; P677-E680 PolarHBondContact O-N 3.42Å; P677-K681 PolarHBondContact O-N 3.27Å
678	E	69.9	Low	76.4	Confident	119 Å²	119	72.7 Å²	72.7	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-56.2	-39	-179.1	-67.3	-177.6	173.5	0	0	112.7	E680 K681 K682	E678-E680 VanDerWaalsContact C-N 3.28Å; E678-E680 PolarHBondContact O-N 2.84Å; E678-K681 PolarHBondContact O-N 3Å; E678-K682 WeakPolarHBondContact O-CB 3.28Å; E678-K682 PolarHBondContact O-N 3.4Å
679	E	76	Confident	77.3	Confident	149 Å²	149	71.6 Å²	71.6	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-60.8	-36.9	176.6	-62.6	-170.8	173.1	0	0	112.6	P677 K683	P677-E679 VanDerWaalsContact C-N 3.26Å; P677-E679 PolarHBondContact O-N 2.91Å; E679-K683 WeakPolarHBondContact O-CG 3.43Å; E679-K683 PolarHBondContact O-N 3.06Å
680	E	81	Confident	78.2	Confident	30 Å²	30	69.5 Å²	69.5	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-74.5	-42.1	176.5	-60.7	-162.8	163.5	0	0	111.2	L676 P677 E678 K682 K683 I684 L812	L676-E680 HydrophobicContact CB-CB 4.46Å; L676-E680 WeakPolarHBondContact CD2-OE2 3.31Å; P677-E680 HydrophobicContact CB-CG 4.28Å; P677-E680 HydrophobicContact CG-CG 4.27Å; P677-E680 WeakPolarHBondContact O-CB 3.46Å; P677-E680 PolarHBondContact O-N 3.42Å; E678-E680 VanDerWaalsContact C-N 3.28Å; E678-E680 PolarHBondContact O-N 2.84Å; E680-K682 VanDerWaalsContact C-N 3.26Å; E680-K682 PolarHBondContact O-N 3.13Å; E680-K683 PolarHBondContact O-N 3.35Å; E680-K683 VanDerWaalsContact O-N 3.17Å; E680-I684 WeakPolarHBondContact O-CG1 3.45Å; E680-I684 PolarHBondContact O-N 3.31Å; E680-L812 HydrophobicContact CB-CB 4.47Å; E680-L812 HydrophobicContact CB-CD1 4.21Å; E680-L812 HydrophobicContact CB-CD2 4.29Å; E680-L812 HydrophobicContact CG-CB 4.45Å; E680-L812 HydrophobicContact CG-CD2 4.05Å
681	K	80.2	Confident	79	Confident	39 Å²	39	65.8 Å²	65.8	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-41.9	174.6	-72.2	178.5	174.2	174.8	0	111.4	E649 Q674 L676 P677 E678 I684 Q685	E649-K681 IonicContact OE1-NZ 3.86Å; E649-K681 PolarHBondContact OE1-NZ 3.33Å; Q674-K681 VanDerWaalsContact O-CE 3.29Å; Q674-K681 WeakPolarHBondContact O-CE 3.46Å; Q674-K681 PolarHBondContact O-NZ 3.14Å; L676-K681 HydrophobicContact CB-CG 4.12Å; L676-K681 WeakPolarHBondContact O-CE 3.46Å; P677-K681 PolarHBondContact O-N 3.27Å; E678-K681 PolarHBondContact O-N 3Å; K681-I684 PolarHBondContact O-N 3.1Å; K681-Q685 WeakPolarHBondContact O-CB 3.49Å; K681-Q685 PolarHBondContact O-N 3.02Å
682	K	80.8	Confident	79.9	Confident	141 Å²	141	64.6 Å²	64.6	61%	0.613	30%	0.296	S	S	*	.	H	α-helix	trans	-60.5	-46.4	175.7	-173.2	176.6	178.7	177.5	0	112.1	E678 E680 I684 Q685 E686	E678-K682 WeakPolarHBondContact O-CB 3.28Å; E678-K682 PolarHBondContact O-N 3.4Å; E680-K682 VanDerWaalsContact C-N 3.26Å; E680-K682 PolarHBondContact O-N 3.13Å; K682-I684 PolarHBondContact O-N 2.8Å; K682-Q685 WeakPolarHBondContact O-CB 3.32Å; K682-Q685 PolarHBondContact O-N 3Å; K682-Q685 VanDerWaalsContact O-N 3.15Å; K682-E686 WeakPolarHBondContact O-CG 3.49Å; K682-E686 PolarHBondContact O-N 3.05Å
683	K	83.9	Confident	80.5	Confident	105 Å²	105	62.9 Å²	62.9	46%	0.457	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-39.4	176.2	-71.4	172	-176.2	167.1	0	112.6	E679 E680 Q685 Q687 L812	E679-K683 WeakPolarHBondContact O-CG 3.43Å; E679-K683 PolarHBondContact O-N 3.06Å; E680-K683 PolarHBondContact O-N 3.35Å; E680-K683 VanDerWaalsContact O-N 3.17Å; K683-Q685 VanDerWaalsContact C-N 3.33Å; K683-Q687 PolarHBondContact O-N 3.49Å; K683-L812 HydrophobicContact CB-CD1 3.95Å; K683-L812 HydrophobicContact CD-CD2 3.82Å
684	I	85	Confident	81.1	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-44	173.2	-68.7	173.7	0	0	0	110.1	M673 L676 E680 K681 K682 Q687 I688 R731 L812 A815 T816 I819	M673-I684 HydrophobicContact CE-CD1 3.97Å; L676-I684 HydrophobicContact CD1-CD1 3.64Å; E680-I684 WeakPolarHBondContact O-CG1 3.45Å; E680-I684 PolarHBondContact O-N 3.31Å; K681-I684 PolarHBondContact O-N 3.1Å; K682-I684 PolarHBondContact O-N 2.8Å; I684-Q687 PolarHBondContact O-N 3.23Å; I684-I688 HydrophobicContact CG2-CD1 3.78Å; I684-I688 WeakPolarHBondContact O-CG1 3.39Å; I684-I688 PolarHBondContact O-N 3.45Å; I684-R731 HydrophobicContact CG2-CG 4.21Å; I684-L812 HydrophobicContact CD1-CD1 4.13Å; I684-L812 HydrophobicContact CG1-CD1 3.55Å; I684-A815 HydrophobicContact CD1-CB 3.8Å; I684-A815 HydrophobicContact CG1-CB 4.1Å; I684-T816 HydrophobicContact CG1-CG2 4.5Å; I684-I819 HydrophobicContact CG2-CD1 3.88Å
685	Q	83.1	Confident	81.8	Confident	55 Å²	55	59 Å²	59	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-42.5	-178.6	-172.6	48.1	56.2	0	0	111.8	K681 K682 K683 Q687 I688 D689 R731	K681-Q685 WeakPolarHBondContact O-CB 3.49Å; K681-Q685 PolarHBondContact O-N 3.02Å; K682-Q685 WeakPolarHBondContact O-CB 3.32Å; K682-Q685 PolarHBondContact O-N 3Å; K682-Q685 VanDerWaalsContact O-N 3.15Å; K683-Q685 VanDerWaalsContact C-N 3.33Å; Q685-Q687 VanDerWaalsContact C-N 3.33Å; Q685-Q687 PolarHBondContact O-N 3.36Å; Q685-I688 WeakPolarHBondContact O-CB 3.29Å; Q685-I688 PolarHBondContact O-N 2.99Å; Q685-D689 VanDerWaalsContact NE2-CG 3.27Å; Q685-D689 PolarHBondContact NE2-OD1 2.91Å; Q685-D689 PolarHBondContact NE2-OD2 3.42Å; Q685-D689 VanDerWaalsContact NE2-OD2 3.12Å; Q685-D689 PolarHBondContact O-N 3.45Å; Q685-R731 VanDerWaalsContact OE1-NH1 3.08Å
686	E	84.4	Confident	82.2	Confident	101 Å²	101	52 Å²	52	47%	0.472	25%	0.246	S	C	.	.	H	α-helix	trans	-55.8	-44.9	173.1	-72.9	172.3	-175.6	0	0	112	K682 I688 D689 V690	K682-E686 WeakPolarHBondContact O-CG 3.49Å; K682-E686 PolarHBondContact O-N 3.05Å; E686-I688 VanDerWaalsContact C-N 3.31Å; E686-I688 PolarHBondContact O-N 3.45Å; E686-D689 PolarHBondContact O-N 2.9Å; E686-V690 WeakPolarHBondContact O-CG2 3.45Å; E686-V690 PolarHBondContact O-N 2.84Å
687	Q	86.9	Confident	82.7	Confident	52 Å²	52	52.8 Å²	52.8	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-36.2	176.2	-70.6	-60.4	-46.1	0	0	112.6	K683 I684 Q685 V690 F691 T816 I819	K683-Q687 PolarHBondContact O-N 3.49Å; I684-Q687 PolarHBondContact O-N 3.23Å; Q685-Q687 VanDerWaalsContact C-N 3.33Å; Q685-Q687 PolarHBondContact O-N 3.36Å; Q687-V690 PolarHBondContact O-N 2.81Å; Q687-F691 PolarHBondContact O-N 2.84Å; Q687-T816 HydrophobicContact CG-CG2 4Å; Q687-I819 HydrophobicContact CB-CB 4.43Å; Q687-I819 HydrophobicContact CB-CD1 4.19Å; Q687-I819 HydrophobicContact CB-CG2 3.94Å
688	I	87	Confident	83.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-35.8	177.2	-69.6	170	0	0	0	111.2	I684 Q685 E686 F691 K692 R731 I819	I684-I688 HydrophobicContact CG2-CD1 3.78Å; I684-I688 WeakPolarHBondContact O-CG1 3.39Å; I684-I688 PolarHBondContact O-N 3.45Å; Q685-I688 WeakPolarHBondContact O-CB 3.29Å; Q685-I688 PolarHBondContact O-N 2.99Å; E686-I688 VanDerWaalsContact C-N 3.31Å; E686-I688 PolarHBondContact O-N 3.45Å; I688-F691 CarbonylContact O-C 3.59Å; I688-F691 WeakPolarHBondContact O-CB 3.19Å; I688-F691 PolarHBondContact O-N 3.38Å; I688-K692 HydrophobicContact CG2-CG 4.49Å; I688-K692 WeakPolarHBondContact O-CG 3.16Å; I688-K692 PolarHBondContact O-N 3.18Å; I688-R731 HydrophobicContact CD1-CG 3.55Å; I688-I819 HydrophobicContact CD1-CD1 4.05Å; I688-I819 HydrophobicContact CG1-CD1 3.62Å; I688-I819 HydrophobicContact CG1-CG1 4.08Å; I688-I819 HydrophobicContact CG1-CG2 4.32Å
689	D	82.2	Confident	84.1	Confident	40 Å²	40	48.3 Å²	48.3	21%	0.214	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-38.5	177.8	-67.7	-33.3	0	0	0	111.5	A373 Q685 E686 F691 K692 V693	A373-D689 HydrophobicContact CB-CB 4.33Å; Q685-D689 VanDerWaalsContact NE2-CG 3.27Å; Q685-D689 PolarHBondContact NE2-OD1 2.91Å; Q685-D689 PolarHBondContact NE2-OD2 3.42Å; Q685-D689 VanDerWaalsContact NE2-OD2 3.12Å; Q685-D689 PolarHBondContact O-N 3.45Å; E686-D689 PolarHBondContact O-N 2.9Å; D689-F691 VanDerWaalsContact C-N 3.35Å; D689-K692 WeakPolarHBondContact O-CB 3.31Å; D689-K692 PolarHBondContact O-N 3.38Å; D689-V693 PolarHBondContact O-N 3.06Å; D689-V693 VanDerWaalsContact O-N 3.14Å
690	V	86.7	Confident	84.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-41	169.9	-173.7	0	0	0	0	111.2	D369 L370 E686 Q687 K692 V693 V694 K823	D369-V690 HydrophobicContact CB-CG1 3.98Å; L370-V690 HydrophobicContact CD2-CG2 3.4Å; L370-V690 VanDerWaalsContact CD2-CG2 3.4Å; L370-V690 HydrophobicContact CG-CG2 4.09Å; E686-V690 WeakPolarHBondContact O-CG2 3.45Å; E686-V690 PolarHBondContact O-N 2.84Å; Q687-V690 PolarHBondContact O-N 2.81Å; V690-K692 VanDerWaalsContact C-N 3.32Å; V690-K692 PolarHBondContact O-N 3.25Å; V690-V693 WeakPolarHBondContact O-CB 3.44Å; V690-V693 PolarHBondContact O-N 3.16Å; V690-V694 PolarHBondContact O-N 2.91Å; V690-K823 HydrophobicContact CG1-CD 3.86Å
691	F	89	Confident	84.4	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-41.4	173.6	171.8	-94.2	0	0	0	112	Q687 I688 D689 V693 V694 Q695 M723 L724 T727 I819 A822 K823 L826	Q687-F691 PolarHBondContact O-N 2.84Å; I688-F691 CarbonylContact O-C 3.59Å; I688-F691 WeakPolarHBondContact O-CB 3.19Å; I688-F691 PolarHBondContact O-N 3.38Å; D689-F691 VanDerWaalsContact C-N 3.35Å; F691-V693 VanDerWaalsContact C-N 3.3Å; F691-V693 PolarHBondContact O-N 3.2Å; F691-V694 WeakPolarHBondContact O-CB 3.43Å; F691-V694 PolarHBondContact O-N 2.87Å; F691-V694 VanDerWaalsContact O-N 3.08Å; F691-Q695 PolarHBondContact O-N 3.47Å; F691-M723 HydrophobicContact CE2-CB 4.27Å; F691-M723 HydrophobicContact CZ-CB 3.92Å; F691-L724 HydrophobicContact CE1-CD2 3.69Å; F691-L724 HydrophobicContact CE1-CG 4.29Å; F691-L724 HydrophobicContact CZ-CD2 4.47Å; F691-T727 HydrophobicContact CD1-CG2 3.99Å; F691-T727 HydrophobicContact CD2-CG2 4.27Å; F691-T727 HydrophobicContact CE1-CG2 3.97Å; F691-T727 HydrophobicContact CE2-CG2 4.28Å; F691-T727 HydrophobicContact CG-CG2 4.14Å; F691-T727 HydrophobicContact CZ-CG2 4.13Å; F691-I819 HydrophobicContact CB-CG2 3.99Å; F691-A822 HydrophobicContact CD2-CB 4.37Å; F691-A822 HydrophobicContact CE2-CB 3.9Å; F691-K823 HydrophobicContact CD2-CB 3.96Å; F691-L826 HydrophobicContact CE2-CB 4.41Å; F691-L826 HydrophobicContact CE2-CD2 3.81Å; F691-L826 HydrophobicContact CZ-CD2 3.85Å
692	K	85.3	Confident	84.7	Confident	80 Å²	80	41.4 Å²	41.4	35%	0.348	19%	0.188	S	C	.	.	H	α-helix	trans	-63.5	-31.5	177.1	-78.8	-178.8	175.1	179.5	0	113.1	I688 D689 V690 V694 Q695 H696	I688-K692 HydrophobicContact CG2-CG 4.49Å; I688-K692 WeakPolarHBondContact O-CG 3.16Å; I688-K692 PolarHBondContact O-N 3.18Å; D689-K692 WeakPolarHBondContact O-CB 3.31Å; D689-K692 PolarHBondContact O-N 3.38Å; V690-K692 VanDerWaalsContact C-N 3.32Å; V690-K692 PolarHBondContact O-N 3.25Å; K692-V694 VanDerWaalsContact C-N 3.32Å; K692-V694 PolarHBondContact O-N 3.39Å; K692-Q695 WeakPolarHBondContact O-CB 3.37Å; K692-Q695 PolarHBondContact O-N 3.17Å; K692-H696 WeakPolarHBondContact O-CB 3.21Å; K692-H696 PolarHBondContact O-N 3.17Å
693	V	83.3	Confident	84.8	Confident	19 Å²	19	37.1 Å²	37.1	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-44.1	171.6	172.9	0	0	0	0	110.6	D369 L372 A373 D689 V690 F691 H696 K697	D369-V693 HydrophobicContact CB-CG1 4.3Å; L372-V693 HydrophobicContact CB-CG1 3.96Å; L372-V693 HydrophobicContact CB-CG2 4.06Å; L372-V693 HydrophobicContact CD1-CG1 3.8Å; A373-V693 HydrophobicContact CB-CG2 3.82Å; D689-V693 PolarHBondContact O-N 3.06Å; D689-V693 VanDerWaalsContact O-N 3.14Å; V690-V693 WeakPolarHBondContact O-CB 3.44Å; V690-V693 PolarHBondContact O-N 3.16Å; F691-V693 VanDerWaalsContact C-N 3.3Å; F691-V693 PolarHBondContact O-N 3.2Å; V693-H696 PolarHBondContact O-N 2.85Å; V693-K697 WeakPolarHBondContact O-CG 3.49Å; V693-K697 PolarHBondContact O-N 3.35Å
694	V	86.7	Confident	84.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-37.9	176.2	-176.3	0	0	0	0	111.6	V690 F691 K692 H696 K697 F698 K823 L826 N827	V690-V694 PolarHBondContact O-N 2.91Å; F691-V694 WeakPolarHBondContact O-CB 3.43Å; F691-V694 PolarHBondContact O-N 2.87Å; F691-V694 VanDerWaalsContact O-N 3.08Å; K692-V694 VanDerWaalsContact C-N 3.32Å; K692-V694 PolarHBondContact O-N 3.39Å; V694-H696 VanDerWaalsContact C-N 3.32Å; V694-H696 PolarHBondContact O-N 3.38Å; V694-K697 WeakPolarHBondContact O-CB 3.44Å; V694-K697 PolarHBondContact O-N 2.99Å; V694-F698 PolarHBondContact O-N 3.42Å; V694-K823 HydrophobicContact CB-CG 4.41Å; V694-K823 HydrophobicContact CG2-CD 4.33Å; V694-K823 HydrophobicContact CG2-CG 3.8Å; V694-L826 HydrophobicContact CG1-CB 4.11Å; V694-L826 HydrophobicContact CG1-CD2 4.23Å; V694-L826 HydrophobicContact CG1-CG 4Å; V694-N827 HydrophobicContact CG1-CB 3.86Å
695	Q	85.6	Confident	84.6	Confident	23 Å²	23	37.6 Å²	37.6	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-43.7	171.4	-177.1	-160	-12.4	0	0	111.6	F691 K692 K697 F698 E699 L724 L826	F691-Q695 PolarHBondContact O-N 3.47Å; K692-Q695 WeakPolarHBondContact O-CB 3.37Å; K692-Q695 PolarHBondContact O-N 3.17Å; Q695-K697 VanDerWaalsContact C-N 3.34Å; Q695-K697 PolarHBondContact O-N 3.49Å; Q695-F698 WeakPolarHBondContact O-CA 3.25Å; Q695-F698 VanDerWaalsContact O-CB 3.28Å; Q695-F698 WeakPolarHBondContact O-CB 3.45Å; Q695-F698 PolarHBondContact O-N 3.1Å; Q695-F698 VanDerWaalsContact O-N 3.1Å; Q695-E699 PolarHBondContact NE2-OE1 3.46Å; Q695-E699 WeakPolarHBondContact O-CG 3.47Å; Q695-E699 PolarHBondContact O-N 2.68Å; Q695-L724 VanDerWaalsContact CD-CD2 3.44Å; Q695-L724 HydrophobicContact CG-CD1 4.42Å; Q695-L724 HydrophobicContact CG-CD2 4.28Å; Q695-L724 VanDerWaalsContact OE1-CD2 3.23Å; Q695-L826 HydrophobicContact CB-CD2 4.09Å
696	H	81.8	Confident	84.6	Confident	60 Å²	60	36.9 Å²	36.9	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-38.1	179.8	-167.5	62.1	0	0	0	111.9	K692 V693 V694 F698 E699 R700	K692-H696 WeakPolarHBondContact O-CB 3.21Å; K692-H696 PolarHBondContact O-N 3.17Å; V693-H696 PolarHBondContact O-N 2.85Å; V694-H696 VanDerWaalsContact C-N 3.32Å; V694-H696 PolarHBondContact O-N 3.38Å; H696-F698 VanDerWaalsContact C-N 3.28Å; H696-F698 PolarHBondContact O-N 3Å; H696-E699 PolarHBondContact O-N 3.37Å; H696-R700 PolarHBondContact CD2-NE 3.36Å; H696-R700 PolarHBondContact CD2-NH2 3.22Å; H696-R700 VanDerWaalsContact CD2-NH2 3.29Å; H696-R700 VanDerWaalsContact NE2-CZ 3.25Å; H696-R700 PolarHBondContact NE2-NE 3.48Å; H696-R700 PolarHBondContact NE2-NH2 3.23Å; H696-R700 WeakPolarHBondContact O-CG 3.44Å; H696-R700 PolarHBondContact O-N 3.17Å
697	K	83.8	Confident	84.5	Confident	24 Å²	24	35.3 Å²	35.3	10%	0.104	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-45.8	168.8	-71.6	172.8	-175.4	174.4	0	111.3	F294 D369 V693 V694 Q695 E701	F294-K697 HydrophobicContact CD2-CG 4.4Å; F294-K697 HydrophobicContact CE2-CB 4.49Å; F294-K697 HydrophobicContact CE2-CD 4.05Å; F294-K697 HydrophobicContact CE2-CG 3.3Å; F294-K697 HydrophobicContact CZ-CB 4.42Å; F294-K697 HydrophobicContact CZ-CD 4.43Å; F294-K697 HydrophobicContact CZ-CG 3.56Å; D369-K697 VanDerWaalsContact CG-NZ 3.31Å; D369-K697 IonicContact OD1-NZ 2.69Å; D369-K697 PolarHBondContact OD1-NZ 2.89Å; D369-K697 IonicContact OD2-NZ 2.7Å; D369-K697 PolarHBondContact OD2-NZ 3.26Å; V693-K697 WeakPolarHBondContact O-CG 3.49Å; V693-K697 PolarHBondContact O-N 3.35Å; V694-K697 WeakPolarHBondContact O-CB 3.44Å; V694-K697 PolarHBondContact O-N 2.99Å; Q695-K697 VanDerWaalsContact C-N 3.34Å; Q695-K697 PolarHBondContact O-N 3.49Å; K697-E701 PolarHBondContact O-N 3.24Å; K697-E701 VanDerWaalsContact O-N 3.11Å
698	F	89	Confident	84.1	Confident	7 Å²	7	37.1 Å²	37.1	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-49.3	178.3	171.8	-96.6	0	0	0	112.6	V694 Q695 H696 R700 E701 V702 A716 K717 C720 L826 V829 V830	V694-F698 PolarHBondContact O-N 3.42Å; Q695-F698 WeakPolarHBondContact O-CA 3.25Å; Q695-F698 VanDerWaalsContact O-CB 3.28Å; Q695-F698 WeakPolarHBondContact O-CB 3.45Å; Q695-F698 PolarHBondContact O-N 3.1Å; Q695-F698 VanDerWaalsContact O-N 3.1Å; H696-F698 VanDerWaalsContact C-N 3.28Å; H696-F698 PolarHBondContact O-N 3Å; F698-R700 VanDerWaalsContact C-N 3.34Å; F698-R700 PolarHBondContact O-N 3.29Å; F698-E701 PolarHBondContact O-N 2.9Å; F698-V702 HydrophobicContact CD2-CG2 3.99Å; F698-V702 HydrophobicContact CE1-CG2 4.13Å; F698-V702 HydrophobicContact CE2-CG2 3.39Å; F698-V702 HydrophobicContact CZ-CB 4.29Å; F698-V702 HydrophobicContact CZ-CG2 3.47Å; F698-V702 VanDerWaalsContact CZ-CG2 3.47Å; F698-V702 WeakPolarHBondContact O-CB 3.41Å; F698-V702 PolarHBondContact O-N 2.69Å; F698-A716 HydrophobicContact CE2-CB 3.73Å; F698-A716 VanDerWaalsContact CZ-C 3.41Å; F698-A716 HydrophobicContact CZ-CB 4.06Å; F698-A716 VanDerWaalsContact CZ-O 3.29Å; F698-A716 WeakPolarHBondContact CZ-O 3.47Å; F698-K717 HydrophobicContact CE1-CG 4.33Å; F698-K717 HydrophobicContact CZ-CG 4.11Å; F698-C720 HydrophobicContact CD1-CB 3.76Å; F698-C720 WeakPolarHBondContact CD1-SG 3.34Å; F698-C720 HydrophobicContact CE1-CB 3.39Å; F698-C720 HydrophobicContact CG-CB 4.45Å; F698-C720 HydrophobicContact CZ-CB 3.84Å; F698-L826 HydrophobicContact CB-CD1 4.09Å; F698-L826 HydrophobicContact CB-CG 4.4Å; F698-L826 HydrophobicContact CD1-CD1 4.43Å; F698-L826 HydrophobicContact CD2-CD1 4Å; F698-L826 HydrophobicContact CG-CD1 3.89Å; F698-V829 HydrophobicContact CD2-CG1 4.43Å; F698-V829 HydrophobicContact CE2-CG1 4.1Å; F698-V830 HydrophobicContact CB-CG2 3.46Å; F698-V830 VanDerWaalsContact CB-CG2 3.46Å; F698-V830 HydrophobicContact CD2-CG2 3.85Å; F698-V830 HydrophobicContact CG-CG2 4.16Å
699	E	83.9	Confident	83.7	Confident	80 Å²	80	39.4 Å²	39.4	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-42.4	-179.5	-73	173.7	174.8	0	0	111.8	Q695 H696 E701 V702 A703	Q695-E699 PolarHBondContact NE2-OE1 3.46Å; Q695-E699 WeakPolarHBondContact O-CG 3.47Å; Q695-E699 PolarHBondContact O-N 2.68Å; H696-E699 PolarHBondContact O-N 3.37Å; E699-E701 PolarHBondContact O-N 2.82Å; E699-V702 PolarHBondContact O-N 3.3Å; E699-A703 WeakPolarHBondContact O-CB 3.47Å; E699-A703 PolarHBondContact O-N 2.94Å
700	R	80.3	Confident	83.9	Confident	62 Å²	62	37.5 Å²	37.5	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-42.4	174.5	-73.2	-175.5	-161.1	-142.9	5.4	112.7	H291 F294 H696 F698	H291-R700 PolarHBondContact O-NH1 3.36Å; H291-R700 PolarHBondContact O-NH2 2.86Å; F294-R700 VanDerWaalsContact CB-NH1 3.32Å; F294-R700 VanDerWaalsContact CG-CZ 3.4Å; H696-R700 PolarHBondContact CD2-NE 3.36Å; H696-R700 PolarHBondContact CD2-NH2 3.22Å; H696-R700 VanDerWaalsContact CD2-NH2 3.29Å; H696-R700 VanDerWaalsContact NE2-CZ 3.25Å; H696-R700 PolarHBondContact NE2-NE 3.48Å; H696-R700 PolarHBondContact NE2-NH2 3.23Å; H696-R700 WeakPolarHBondContact O-CG 3.44Å; H696-R700 PolarHBondContact O-N 3.17Å; F698-R700 VanDerWaalsContact C-N 3.34Å; F698-R700 PolarHBondContact O-N 3.29Å
701	E	84.3	Confident	84.1	Confident	10 Å²	10	42 Å²	42	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-46.4	-179.9	-173.6	55	-141.3	0	0	110.6	K697 F698 E699 A703 K704 W705 V833 K834	K697-E701 PolarHBondContact O-N 3.24Å; K697-E701 VanDerWaalsContact O-N 3.11Å; F698-E701 PolarHBondContact O-N 2.9Å; E699-E701 PolarHBondContact O-N 2.82Å; E701-A703 PolarHBondContact O-N 3.5Å; E701-K704 WeakPolarHBondContact O-CB 3.23Å; E701-K704 PolarHBondContact O-N 2.8Å; E701-K704 IonicContact OE1-NZ 3.62Å; E701-K704 IonicContact OE2-NZ 2.61Å; E701-K704 PolarHBondContact OE2-NZ 2.93Å; E701-W705 PolarHBondContact O-NE1 3.15Å; E701-W705 VanDerWaalsContact O-NE1 3.1Å; E701-W705 PolarHBondContact OE1-NE1 3.31Å; E701-V833 HydrophobicContact CG-CG1 4.14Å; E701-K834 HydrophobicContact CG-CG 3.75Å; E701-K834 WeakPolarHBondContact OE2-CE 3.39Å
702	V	85.2	Confident	84.3	Confident	1 Å²	1	42 Å²	42	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-72.9	-28.7	-177.9	169.5	0	0	0	0	113	F698 E699 K704 W705 V713 K717	F698-V702 HydrophobicContact CD2-CG2 3.99Å; F698-V702 HydrophobicContact CE1-CG2 4.13Å; F698-V702 HydrophobicContact CE2-CG2 3.39Å; F698-V702 HydrophobicContact CZ-CB 4.29Å; F698-V702 HydrophobicContact CZ-CG2 3.47Å; F698-V702 VanDerWaalsContact CZ-CG2 3.47Å; F698-V702 WeakPolarHBondContact O-CB 3.41Å; F698-V702 PolarHBondContact O-N 2.69Å; E699-V702 PolarHBondContact O-N 3.3Å; V702-K704 PolarHBondContact O-N 2.96Å; V702-W705 PolarHBondContact O-N 3.25Å; V702-W705 VanDerWaalsContact O-N 3.16Å; V702-V713 HydrophobicContact CG1-CG1 3.6Å; V702-K717 HydrophobicContact CG1-CD 3.76Å; V702-K717 HydrophobicContact CG1-CG 3.76Å
703	A	83.2	Confident	84.5	Confident	52 Å²	52	38.1 Å²	38.1	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-22	177.3	0	0	0	0	0	113.6	E699 E701 W705	E699-A703 WeakPolarHBondContact O-CB 3.47Å; E699-A703 PolarHBondContact O-N 2.94Å; E701-A703 PolarHBondContact O-N 3.5Å; A703-W705 PolarHBondContact O-N 2.97Å
704	K	82.6	Confident	84.9	Confident	105 Å²	105	40.2 Å²	40.2	46%	0.457	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.8	176.9	-62.2	168.9	-173.8	174	0	112.5	E701 V702 M858 R859	E701-K704 WeakPolarHBondContact O-CB 3.23Å; E701-K704 PolarHBondContact O-N 2.8Å; E701-K704 IonicContact OE1-NZ 3.62Å; E701-K704 IonicContact OE2-NZ 2.61Å; E701-K704 PolarHBondContact OE2-NZ 2.93Å; V702-K704 PolarHBondContact O-N 2.96Å; K704-M858 WeakPolarHBondContact O-CA 3.35Å; K704-R859 PolarHBondContact O-N 2.88Å; K704-R859 VanDerWaalsContact O-N 3.08Å
705	W	83.3	Confident	85.3	Confident	12 Å²	12	41.3 Å²	41.3	5%	0.045	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-105.3	136	-165.3	-51.2	116.4	0	0	0	111.6	E701 V702 A703 V713 Y837 W856	E701-W705 PolarHBondContact O-NE1 3.15Å; E701-W705 VanDerWaalsContact O-NE1 3.1Å; E701-W705 PolarHBondContact OE1-NE1 3.31Å; V702-W705 PolarHBondContact O-N 3.25Å; V702-W705 VanDerWaalsContact O-N 3.16Å; A703-W705 PolarHBondContact O-N 2.97Å; W705-V713 HydrophobicContact CB-CG2 3.92Å; W705-V713 HydrophobicContact CG-CG2 4.23Å; W705-Y837 AromaticContact CH2-CD1 3.75Å; W705-Y837 HydrophobicContact CH2-CD1 3.75Å; W705-Y837 AromaticContact CH2-CD2 3.23Å; W705-Y837 HydrophobicContact CH2-CD2 3.23Å; W705-Y837 AromaticContact CH2-CE1 3.71Å; W705-Y837 HydrophobicContact CH2-CE1 3.71Å; W705-Y837 AromaticContact CH2-CE2 3.16Å; W705-Y837 HydrophobicContact CH2-CE2 3.16Å; W705-Y837 AromaticContact CH2-CG 3.52Å; W705-Y837 HydrophobicContact CH2-CG 3.52Å; W705-Y837 AromaticContact CH2-CZ 3.42Å; W705-Y837 VanDerWaalsContact CH2-CZ 3.42Å; W705-Y837 AromaticContact CZ2-CD1 3.83Å; W705-Y837 HydrophobicContact CZ2-CD1 3.83Å; W705-Y837 AromaticContact CZ2-CD2 3.78Å; W705-Y837 HydrophobicContact CZ2-CD2 3.78Å; W705-Y837 HydrophobicContact CZ2-CE1 4.18Å; W705-Y837 HydrophobicContact CZ2-CE2 4.12Å; W705-Y837 AromaticContact CZ2-CG 3.61Å; W705-Y837 HydrophobicContact CZ2-CG 3.61Å; W705-Y837 AromaticContact CZ3-CD2 3.65Å; W705-Y837 HydrophobicContact CZ3-CD2 3.65Å; W705-Y837 AromaticContact CZ3-CE2 3.51Å; W705-Y837 HydrophobicContact CZ3-CE2 3.51Å; W705-Y837 HydrophobicContact CZ3-CG 4.34Å; W705-W856 AromaticContact CD2-CE3 3.63Å; W705-W856 HydrophobicContact CD2-CE3 3.63Å; W705-W856 AromaticContact CD2-CZ3 3.82Å; W705-W856 HydrophobicContact CD2-CZ3 3.82Å; W705-W856 AromaticContact CE2-CE3 3.99Å; W705-W856 AromaticContact CE2-CZ3 3.91Å; W705-W856 AromaticContact CE3-CE3 3.69Å; W705-W856 HydrophobicContact CE3-CE3 3.69Å; W705-W856 HydrophobicContact CE3-CZ3 4.36Å; W705-W856 HydrophobicContact CG-CE3 4.08Å; W705-W856 AromaticContact CG-CZ3 3.93Å; W705-W856 HydrophobicContact CG-CZ3 3.93Å; W705-W856 HydrophobicContact CZ2-CE3 4.43Å; W705-W856 HydrophobicContact CZ3-CE3 4.14Å; W705-W856 AromaticContact NE1-CZ3 4Å
706	D	81.8	Confident	85.7	Confident	40 Å²	40	40.2 Å²	40.2	21%	0.214	22%	0.22	C	C	.	.			trans	-68.3	137.8	162.2	-172.3	8.8	0	0	0	109.5	T708 K857	D706-T708 VanDerWaalsContact C-N 3.35Å; D706-T708 PolarHBondContact OD1-N 2.9Å; D706-T708 VanDerWaalsContact OD1-N 3.1Å; D706-T708 PolarHBondContact OD2-OG1 3.06Å; D706-K857 HydrophobicContact CB-CB 4.03Å; D706-K857 PolarHBondContact N-O 3.36Å
707	E	81.7	Confident	86.2	Confident	68 Å²	68	40.2 Å²	40.2	32%	0.318	22%	0.219	S	C	.	.			trans	-82.3	-20.2	179.6	-63.7	167.7	-133.8	0	0	111	G709 N710 V713 V714 K717 R859	E707-G709 PolarHBondContact O-N 3.15Å; E707-N710 PolarHBondContact O-N 3.05Å; E707-N710 VanDerWaalsContact O-N 3.16Å; E707-V713 HydrophobicContact CG-CG1 4.03Å; E707-V714 HydrophobicContact CB-CG2 4.36Å; E707-K717 HydrophobicContact CG-CD 4.46Å; E707-K717 IonicContact OE1-NZ 3.93Å; E707-K717 PolarHBondContact OE1-NZ 3.43Å; E707-K717 IonicContact OE2-NZ 3.28Å; E707-R859 IonicContact OE1-NH2 3.84Å; E707-R859 PolarHBondContact OE1-NH2 3.39Å
708	T	79.5	Confident	86.8	Confident	90 Å²	90	43.7 Å²	43.7	55%	0.552	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	105.9	-178.3	72.4	0	0	0	0	111.3	D706	D706-T708 VanDerWaalsContact C-N 3.35Å; D706-T708 PolarHBondContact OD1-N 2.9Å; D706-T708 VanDerWaalsContact OD1-N 3.1Å; D706-T708 PolarHBondContact OD2-OG1 3.06Å
709	G	77.8	Confident	87.1	Confident	50 Å²	50	43.3 Å²	43.3	52%	0.515	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	18.5	-178.9	0	0	0	0	0	115.1	E707 V855	E707-G709 PolarHBondContact O-N 3.15Å; G709-V855 PolarHBondContact O-N 3.28Å
710	N	87.6	Confident	87.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.			trans	-123.3	81.4	173.3	-167.3	-25.7	0	0	0	111.4	E707 I712 V713 V714 I854 W856	E707-N710 PolarHBondContact O-N 3.05Å; E707-N710 VanDerWaalsContact O-N 3.16Å; N710-I712 PolarHBondContact O-N 2.88Å; N710-I712 PolarHBondContact OD1-N 3.23Å; N710-V713 HydrophobicContact CB-CB 4.24Å; N710-V713 HydrophobicContact CB-CG2 4.27Å; N710-V713 VanDerWaalsContact CG-CG2 3.48Å; N710-V713 WeakPolarHBondContact ND2-CG2 3.48Å; N710-V713 WeakPolarHBondContact O-CB 3.46Å; N710-V713 PolarHBondContact O-N 3.22Å; N710-V713 PolarHBondContact OD1-N 3.12Å; N710-V713 VanDerWaalsContact OD1-N 3.17Å; N710-V714 PolarHBondContact O-N 3.48Å; N710-V714 VanDerWaalsContact O-N 3.17Å; N710-I854 HydrophobicContact CB-CG2 4.33Å; N710-W856 VanDerWaalsContact ND2-CZ3 3.25Å; N710-W856 WeakPolarHBondContact ND2-CZ3 3.25Å
711	D	90.6	Very high	88.2	Confident	96 Å²	96	41 Å²	41	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-25.9	-178.7	-71.2	-32.9	0	0	0	113.2	V713 V714 L715 L759	D711-V713 VanDerWaalsContact C-N 3.34Å; D711-V714 PolarHBondContact O-N 3.32Å; D711-L715 VanDerWaalsContact O-CB 3.32Å; D711-L715 WeakPolarHBondContact O-CB 3.42Å; D711-L715 WeakPolarHBondContact O-CG 3.28Å; D711-L715 PolarHBondContact O-N 3.1Å; D711-L759 HydrophobicContact CB-CD1 3.62Å
712	I	92.1	Very high	88.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-47.3	172.6	-69.3	-178.9	0	0	0	109.7	N710 L715 A716 L759 A760 I763 V833 A836 I854	N710-I712 PolarHBondContact O-N 2.88Å; N710-I712 PolarHBondContact OD1-N 3.23Å; I712-L715 PolarHBondContact O-N 2.82Å; I712-A716 WeakPolarHBondContact O-CB 3.38Å; I712-A716 PolarHBondContact O-N 3.18Å; I712-L759 HydrophobicContact CD1-CB 4.21Å; I712-L759 HydrophobicContact CG1-CB 3.86Å; I712-L759 HydrophobicContact CG1-CD1 4.18Å; I712-A760 HydrophobicContact CD1-CB 4.22Å; I712-I763 HydrophobicContact CD1-CD1 3.48Å; I712-I763 VanDerWaalsContact CD1-CD1 3.48Å; I712-V833 HydrophobicContact CG2-CG2 4.1Å; I712-A836 HydrophobicContact CD1-CB 4.13Å; I712-I854 HydrophobicContact CD1-CD1 3.48Å; I712-I854 VanDerWaalsContact CD1-CD1 3.48Å; I712-I854 HydrophobicContact CG1-CD1 3.7Å
713	V	91	Very high	89.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-41.7	178.9	170.1	0	0	0	0	111.4	V702 W705 E707 N710 D711 A716 K717 W856	V702-V713 HydrophobicContact CG1-CG1 3.6Å; W705-V713 HydrophobicContact CB-CG2 3.92Å; W705-V713 HydrophobicContact CG-CG2 4.23Å; E707-V713 HydrophobicContact CG-CG1 4.03Å; N710-V713 HydrophobicContact CB-CB 4.24Å; N710-V713 HydrophobicContact CB-CG2 4.27Å; N710-V713 VanDerWaalsContact CG-CG2 3.48Å; N710-V713 WeakPolarHBondContact ND2-CG2 3.48Å; N710-V713 WeakPolarHBondContact O-CB 3.46Å; N710-V713 PolarHBondContact O-N 3.22Å; N710-V713 PolarHBondContact OD1-N 3.12Å; N710-V713 VanDerWaalsContact OD1-N 3.17Å; D711-V713 VanDerWaalsContact C-N 3.34Å; V713-A716 PolarHBondContact O-N 3.27Å; V713-K717 HydrophobicContact CG1-CD 4.39Å; V713-K717 WeakPolarHBondContact O-CG 3.49Å; V713-K717 PolarHBondContact O-N 2.81Å; V713-W856 HydrophobicContact CG2-CZ3 4.14Å
714	V	92	Very high	89.5	Confident	62 Å²	62	39.6 Å²	39.6	38%	0.376	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-48.1	177.4	176.2	0	0	0	0	111.2	E707 N710 D711 K717 Y718	E707-V714 HydrophobicContact CB-CG2 4.36Å; N710-V714 PolarHBondContact O-N 3.48Å; N710-V714 VanDerWaalsContact O-N 3.17Å; D711-V714 PolarHBondContact O-N 3.32Å; V714-K717 PolarHBondContact O-N 3.2Å; V714-Y718 WeakPolarHBondContact O-CB 3.34Å; V714-Y718 PolarHBondContact O-N 2.98Å
715	L	94.2	Very high	89.9	Confident	26 Å²	26	36.5 Å²	36.5	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-42.5	178	-72.2	168.1	0	0	0	111.6	D711 I712 K717 Y718 M719 A752 K755 L756 L759	D711-L715 VanDerWaalsContact O-CB 3.32Å; D711-L715 WeakPolarHBondContact O-CB 3.42Å; D711-L715 WeakPolarHBondContact O-CG 3.28Å; D711-L715 PolarHBondContact O-N 3.1Å; I712-L715 PolarHBondContact O-N 2.82Å; L715-K717 VanDerWaalsContact C-N 3.33Å; L715-K717 PolarHBondContact O-N 2.86Å; L715-Y718 PolarHBondContact O-N 3.49Å; L715-M719 VanDerWaalsContact O-CG 3.3Å; L715-M719 WeakPolarHBondContact O-CG 3.46Å; L715-M719 PolarHBondContact O-N 3.26Å; L715-A752 HydrophobicContact CD2-CB 4.18Å; L715-K755 HydrophobicContact CD1-CB 3.71Å; L715-K755 HydrophobicContact CD2-CB 4.21Å; L715-K755 HydrophobicContact CD2-CD 4.31Å; L715-L756 HydrophobicContact CB-CB 4.31Å; L715-L756 HydrophobicContact CB-CD1 4.39Å; L715-L756 HydrophobicContact CD1-CB 4.15Å; L715-L759 HydrophobicContact CD1-CD1 3.88Å
716	A	94.1	Very high	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-41.5	178.5	0	0	0	0	0	111.5	F698 I712 V713 M719 C720 L756 V829 V833	F698-A716 HydrophobicContact CE2-CB 3.73Å; F698-A716 VanDerWaalsContact CZ-C 3.41Å; F698-A716 HydrophobicContact CZ-CB 4.06Å; F698-A716 VanDerWaalsContact CZ-O 3.29Å; F698-A716 WeakPolarHBondContact CZ-O 3.47Å; I712-A716 WeakPolarHBondContact O-CB 3.38Å; I712-A716 PolarHBondContact O-N 3.18Å; V713-A716 PolarHBondContact O-N 3.27Å; A716-M719 PolarHBondContact O-N 2.88Å; A716-C720 WeakPolarHBondContact O-CB 3.49Å; A716-C720 PolarHBondContact O-N 3.42Å; A716-L756 HydrophobicContact CB-CD1 4.09Å; A716-V829 HydrophobicContact CB-CG1 3.58Å; A716-V833 HydrophobicContact CB-CG2 3.86Å
717	K	92.4	Very high	90.7	Very high	59 Å²	59	34 Å²	34	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-45.5	173.5	-83.3	176.4	152.7	140.9	0	112.1	F698 V702 E707 V713 V714 L715 C720 M721	F698-K717 HydrophobicContact CE1-CG 4.33Å; F698-K717 HydrophobicContact CZ-CG 4.11Å; V702-K717 HydrophobicContact CG1-CD 3.76Å; V702-K717 HydrophobicContact CG1-CG 3.76Å; E707-K717 HydrophobicContact CG-CD 4.46Å; E707-K717 IonicContact OE1-NZ 3.93Å; E707-K717 PolarHBondContact OE1-NZ 3.43Å; E707-K717 IonicContact OE2-NZ 3.28Å; V713-K717 HydrophobicContact CG1-CD 4.39Å; V713-K717 WeakPolarHBondContact O-CG 3.49Å; V713-K717 PolarHBondContact O-N 2.81Å; V714-K717 PolarHBondContact O-N 3.2Å; L715-K717 VanDerWaalsContact C-N 3.33Å; L715-K717 PolarHBondContact O-N 2.86Å; K717-C720 PolarHBondContact O-N 3.4Å; K717-M721 WeakPolarHBondContact O-CB 3.42Å; K717-M721 PolarHBondContact O-N 2.98Å
718	Y	95.2	Very high	90.9	Very high	97 Å²	97	32.4 Å²	32.4	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-43.3	178.1	-179.6	-116.6	0	0	0	112	V714 L715 M721 I722 A752	V714-Y718 WeakPolarHBondContact O-CB 3.34Å; V714-Y718 PolarHBondContact O-N 2.98Å; L715-Y718 PolarHBondContact O-N 3.49Å; Y718-M721 HydrophobicContact CD2-CE 3.76Å; Y718-M721 HydrophobicContact CE2-CE 3.85Å; Y718-M721 PolarHBondContact O-N 3.3Å; Y718-I722 HydrophobicContact CD1-CD1 4.07Å; Y718-I722 HydrophobicContact CD2-CD1 4.4Å; Y718-I722 HydrophobicContact CE1-CD1 3.62Å; Y718-I722 HydrophobicContact CE2-CD1 3.97Å; Y718-I722 HydrophobicContact CE2-CG1 4.37Å; Y718-I722 HydrophobicContact CG-CD1 4.44Å; Y718-I722 WeakPolarHBondContact O-CG1 3.43Å; Y718-I722 PolarHBondContact O-N 3.11Å; Y718-I722 VanDerWaalsContact O-N 3.15Å; Y718-A752 HydrophobicContact CD1-CB 3.86Å; Y718-A752 HydrophobicContact CE1-CB 4.22Å
719	M	96.9	Very high	91.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.8	-70	175.4	75.5	0	0	111.8	L715 A716 M721 I722 M723 I749 A752 L756 L825 V829	L715-M719 VanDerWaalsContact O-CG 3.3Å; L715-M719 WeakPolarHBondContact O-CG 3.46Å; L715-M719 PolarHBondContact O-N 3.26Å; A716-M719 PolarHBondContact O-N 2.88Å; M719-M721 VanDerWaalsContact C-N 3.35Å; M719-M721 PolarHBondContact O-N 3.32Å; M719-I722 PolarHBondContact O-N 3.36Å; M719-M723 HydrophobicContact CB-CE 3.78Å; M719-M723 HydrophobicContact CE-CE 4.31Å; M719-M723 WeakPolarHBondContact O-CG 3.42Å; M719-M723 PolarHBondContact O-N 3.47Å; M719-I749 HydrophobicContact CE-CG2 3.93Å; M719-A752 HydrophobicContact CG-CB 3.64Å; M719-A752 HydrophobicContact SD-CB 4.29Å; M719-L756 HydrophobicContact SD-CD1 3.99Å; M719-L825 HydrophobicContact CE-CD1 4.15Å; M719-L825 HydrophobicContact CE-CD2 4.18Å; M719-L825 HydrophobicContact CE-CG 4.31Å; M719-V829 HydrophobicContact CE-CG2 3.78Å; M719-V829 HydrophobicContact SD-CG2 4.16Å
720	C	94.5	Very high	91.6	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-44.3	177.3	-178.1	0	0	0	0	111.8	F698 A716 K717 I722 M723 L724 L826	F698-C720 HydrophobicContact CD1-CB 3.76Å; F698-C720 WeakPolarHBondContact CD1-SG 3.34Å; F698-C720 HydrophobicContact CE1-CB 3.39Å; F698-C720 HydrophobicContact CG-CB 4.45Å; F698-C720 HydrophobicContact CZ-CB 3.84Å; A716-C720 WeakPolarHBondContact O-CB 3.49Å; A716-C720 PolarHBondContact O-N 3.42Å; K717-C720 PolarHBondContact O-N 3.4Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.9Å; C720-M723 PolarHBondContact O-N 2.82Å; C720-L724 WeakPolarHBondContact O-CG 3.38Å; C720-L724 PolarHBondContact O-N 2.82Å; C720-L826 HydrophobicContact CB-CD1 3.84Å
721	M	93.1	Very high	91.3	Very high	89 Å²	89	28 Å²	28	44%	0.438	14%	0.136	S	C	.	.	H	α-helix	trans	-56	-47.1	176.2	-174.7	-171.9	76.3	0	0	111.8	K717 Y718 M719 L724 E725	K717-M721 WeakPolarHBondContact O-CB 3.42Å; K717-M721 PolarHBondContact O-N 2.98Å; Y718-M721 HydrophobicContact CD2-CE 3.76Å; Y718-M721 HydrophobicContact CE2-CE 3.85Å; Y718-M721 PolarHBondContact O-N 3.3Å; M719-M721 VanDerWaalsContact C-N 3.35Å; M719-M721 PolarHBondContact O-N 3.32Å; M721-L724 WeakPolarHBondContact O-CB 3.14Å; M721-L724 PolarHBondContact O-N 2.85Å; M721-E725 WeakPolarHBondContact O-CG 3.23Å; M721-E725 PolarHBondContact O-N 3.12Å; M721-E725 VanDerWaalsContact O-N 3.13Å
722	I	93.4	Very high	90.6	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-38.8	179.7	-57.7	164.5	0	0	0	111.2	Y718 M719 C720 L724 E725 M726 A745 K748 I749	Y718-I722 HydrophobicContact CD1-CD1 4.07Å; Y718-I722 HydrophobicContact CD2-CD1 4.4Å; Y718-I722 HydrophobicContact CE1-CD1 3.62Å; Y718-I722 HydrophobicContact CE2-CD1 3.97Å; Y718-I722 HydrophobicContact CE2-CG1 4.37Å; Y718-I722 HydrophobicContact CG-CD1 4.44Å; Y718-I722 WeakPolarHBondContact O-CG1 3.43Å; Y718-I722 PolarHBondContact O-N 3.11Å; Y718-I722 VanDerWaalsContact O-N 3.15Å; M719-I722 PolarHBondContact O-N 3.36Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.9Å; I722-L724 PolarHBondContact O-N 2.94Å; I722-E725 WeakPolarHBondContact O-CB 3.45Å; I722-E725 PolarHBondContact O-N 3.42Å; I722-E725 VanDerWaalsContact O-N 3.11Å; I722-M726 HydrophobicContact CG2-CG 4.41Å; I722-M726 HydrophobicContact CG2-SD 4.23Å; I722-M726 WeakPolarHBondContact O-CG 2.9Å; I722-M726 PolarHBondContact O-N 3.38Å; I722-A745 HydrophobicContact CG2-CB 3.55Å; I722-K748 HydrophobicContact CD1-CB 3.83Å; I722-I749 HydrophobicContact CB-CD1 3.77Å; I722-I749 HydrophobicContact CB-CG1 3.64Å; I722-I749 HydrophobicContact CD1-CG1 3.89Å; I722-I749 HydrophobicContact CG1-CG1 4.4Å; I722-I749 HydrophobicContact CG2-CD1 3.52Å; I722-I749 HydrophobicContact CG2-CG1 3.61Å
723	M	95.3	Very high	89.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-34.9	175.4	-71.8	-176.6	-122.8	0	0	111.9	F691 M719 C720 M726 T727 I749 A822 L825 L826	F691-M723 HydrophobicContact CE2-CB 4.27Å; F691-M723 HydrophobicContact CZ-CB 3.92Å; M719-M723 HydrophobicContact CB-CE 3.78Å; M719-M723 HydrophobicContact CE-CE 4.31Å; M719-M723 WeakPolarHBondContact O-CG 3.42Å; M719-M723 PolarHBondContact O-N 3.47Å; C720-M723 PolarHBondContact O-N 2.82Å; M723-M726 PolarHBondContact O-N 3.25Å; M723-T727 WeakPolarHBondContact O-CG2 3.29Å; M723-T727 PolarHBondContact O-N 2.82Å; M723-T727 PolarHBondContact O-OG1 3.49Å; M723-T727 VanDerWaalsContact O-OG1 3.09Å; M723-I749 HydrophobicContact CG-CD1 3.68Å; M723-A822 HydrophobicContact CB-CB 4.22Å; M723-A822 HydrophobicContact CG-CB 4.17Å; M723-A822 HydrophobicContact SD-CB 4.32Å; M723-L825 HydrophobicContact CE-CB 4.26Å; M723-L825 HydrophobicContact CE-CD2 3.61Å; M723-L825 HydrophobicContact CE-CG 3.61Å; M723-L825 HydrophobicContact SD-CB 4.07Å; M723-L825 HydrophobicContact SD-CD2 4.04Å; M723-L825 HydrophobicContact SD-CG 4.06Å; M723-L826 HydrophobicContact CE-CB 4.46Å; M723-L826 HydrophobicContact CE-CD1 4.46Å; M723-L826 HydrophobicContact SD-CB 3.83Å
724	L	90.4	Very high	89.2	Confident	30 Å²	30	25.6 Å²	25.6	16%	0.157	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-46	171.9	-73	162.2	0	0	0	111.6	F691 Q695 C720 M721 I722 M726 T727 D728	F691-L724 HydrophobicContact CE1-CD2 3.69Å; F691-L724 HydrophobicContact CE1-CG 4.29Å; F691-L724 HydrophobicContact CZ-CD2 4.47Å; Q695-L724 VanDerWaalsContact CD-CD2 3.44Å; Q695-L724 HydrophobicContact CG-CD1 4.42Å; Q695-L724 HydrophobicContact CG-CD2 4.28Å; Q695-L724 VanDerWaalsContact OE1-CD2 3.23Å; C720-L724 WeakPolarHBondContact O-CG 3.38Å; C720-L724 PolarHBondContact O-N 2.82Å; M721-L724 WeakPolarHBondContact O-CB 3.14Å; M721-L724 PolarHBondContact O-N 2.85Å; I722-L724 PolarHBondContact O-N 2.94Å; L724-M726 PolarHBondContact O-N 3.14Å; L724-T727 WeakPolarHBondContact CA-OG1 3.17Å; L724-T727 PolarHBondContact O-N 3.31Å; L724-T727 PolarHBondContact O-OG1 3.44Å; L724-D728 WeakPolarHBondContact O-CB 3.35Å; L724-D728 PolarHBondContact O-N 3.23Å
725	E	90.8	Very high	88.8	Confident	40 Å²	40	25.8 Å²	25.8	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-35.4	175.9	-64.2	174.9	173.3	0	0	112.3	M721 I722 F729 P735 L736	M721-E725 WeakPolarHBondContact O-CG 3.23Å; M721-E725 PolarHBondContact O-N 3.12Å; M721-E725 VanDerWaalsContact O-N 3.13Å; I722-E725 WeakPolarHBondContact O-CB 3.45Å; I722-E725 PolarHBondContact O-N 3.42Å; I722-E725 VanDerWaalsContact O-N 3.11Å; E725-F729 PolarHBondContact O-N 3.08Å; E725-F729 VanDerWaalsContact O-N 3.07Å; E725-P735 HydrophobicContact CB-CG 3.92Å; E725-P735 VanDerWaalsContact CD-CG 3.41Å; E725-P735 HydrophobicContact CG-CG 3.5Å; E725-L736 HydrophobicContact CB-CD1 4.16Å; E725-L736 HydrophobicContact CB-CG 4.18Å; E725-L736 WeakPolarHBondContact O-CD1 3.47Å
726	M	92.4	Very high	88.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.4	-37.7	177.3	-67.8	177.5	70.8	0	0	113.1	I722 M723 L724 F729 L736 V742 A745 A746 I749 L790 L818	I722-M726 HydrophobicContact CG2-CG 4.41Å; I722-M726 HydrophobicContact CG2-SD 4.23Å; I722-M726 WeakPolarHBondContact O-CG 2.9Å; I722-M726 PolarHBondContact O-N 3.38Å; M723-M726 PolarHBondContact O-N 3.25Å; L724-M726 PolarHBondContact O-N 3.14Å; M726-F729 WeakPolarHBondContact O-CB 3.49Å; M726-F729 PolarHBondContact O-N 3.06Å; M726-L736 HydrophobicContact CB-CD1 4.42Å; M726-L736 HydrophobicContact CG-CD1 3.83Å; M726-V742 HydrophobicContact CE-CG1 3.81Å; M726-A745 HydrophobicContact CG-CB 3.9Å; M726-A745 HydrophobicContact SD-CB 3.96Å; M726-A746 HydrophobicContact CE-CB 4.06Å; M726-I749 HydrophobicContact SD-CD1 3.55Å; M726-I749 VanDerWaalsContact SD-CD1 3.55Å; M726-L790 HydrophobicContact CE-CD1 3.81Å; M726-L790 HydrophobicContact CE-CD2 4.08Å; M726-L790 HydrophobicContact CE-CG 3.83Å; M726-L790 HydrophobicContact SD-CD2 4.06Å; M726-L790 HydrophobicContact SD-CG 4.47Å; M726-L818 HydrophobicContact CE-CD1 3.66Å; M726-L818 HydrophobicContact CE-CG 4.43Å
727	T	89.5	Confident	87.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-75.3	-25.6	173.7	53.3	0	0	0	0	112.4	F691 M723 L724 T730 I819 A822	F691-T727 HydrophobicContact CD1-CG2 3.99Å; F691-T727 HydrophobicContact CD2-CG2 4.27Å; F691-T727 HydrophobicContact CE1-CG2 3.97Å; F691-T727 HydrophobicContact CE2-CG2 4.28Å; F691-T727 HydrophobicContact CG-CG2 4.14Å; F691-T727 HydrophobicContact CZ-CG2 4.13Å; M723-T727 WeakPolarHBondContact O-CG2 3.29Å; M723-T727 PolarHBondContact O-N 2.82Å; M723-T727 PolarHBondContact O-OG1 3.49Å; M723-T727 VanDerWaalsContact O-OG1 3.09Å; L724-T727 WeakPolarHBondContact CA-OG1 3.17Å; L724-T727 PolarHBondContact O-N 3.31Å; L724-T727 PolarHBondContact O-OG1 3.44Å; T727-T730 PolarHBondContact O-OG1 3.24Å; T727-I819 HydrophobicContact CG2-CB 4.4Å; T727-I819 HydrophobicContact CG2-CG1 4.01Å; T727-I819 HydrophobicContact CG2-CG2 4.25Å; T727-A822 HydrophobicContact CG2-CB 4.38Å
728	D	85.7	Confident	87.3	Confident	34 Å²	34	29.9 Å²	29.9	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-39.4	168.1	-83.8	-26.4	0	0	0	111.8	L724 T730 R731 R733	L724-D728 WeakPolarHBondContact O-CB 3.35Å; L724-D728 PolarHBondContact O-N 3.23Å; D728-T730 PolarHBondContact O-N 2.89Å; D728-R731 PolarHBondContact O-N 2.93Å; D728-R731 IonicContact OD1-CZ 2.73Å; D728-R731 IonicContact OD1-NE 3.14Å; D728-R731 IonicContact OD1-NH2 3.82Å; D728-R731 PolarHBondContact OD1-NH2 2.89Å; D728-R733 CarbonylContact C-O 3.35Å; D728-R733 VanDerWaalsContact C-O 3.26Å; D728-R733 HydrophobicContact CB-CG 3.93Å; D728-R733 CarbonylContact O-C 3.58Å; D728-R733 WeakPolarHBondContact O-CG 3.47Å; D728-R733 PolarHBondContact O-N 3.05Å; D728-R733 IonicContact OD1-CZ 2.73Å; D728-R733 IonicContact OD1-NE 3.62Å; D728-R733 PolarHBondContact OD1-NE 3.05Å; D728-R733 IonicContact OD1-NH2 2.82Å
729	F	86.8	Confident	86.7	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-35.6	176.7	177.3	-96.4	0	0	0	112.9	R669 E725 M726 R731 G732 R733 L736 V742	R669-F729 HydrophobicContact CB-CZ 4.37Å; R669-F729 HydrophobicContact CG-CZ 4.09Å; E725-F729 PolarHBondContact O-N 3.08Å; E725-F729 VanDerWaalsContact O-N 3.07Å; M726-F729 WeakPolarHBondContact O-CB 3.49Å; M726-F729 PolarHBondContact O-N 3.06Å; F729-R731 PolarHBondContact O-N 3.43Å; F729-R731 VanDerWaalsContact O-N 3.13Å; F729-G732 WeakPolarHBondContact O-CA 3.38Å; F729-G732 PolarHBondContact O-N 2.93Å; F729-R733 VanDerWaalsContact CA-O 3.31Å; F729-R733 WeakPolarHBondContact CA-O 3.38Å; F729-R733 PolarHBondContact N-O 2.76Å; F729-L736 HydrophobicContact CB-CB 4.22Å; F729-L736 HydrophobicContact CB-CD1 4.28Å; F729-L736 HydrophobicContact CD2-CB 3.97Å; F729-L736 HydrophobicContact CG-CB 4.4Å; F729-V742 HydrophobicContact CB-CG2 4.25Å; F729-V742 HydrophobicContact CD1-CG2 3.45Å; F729-V742 VanDerWaalsContact CD1-CG2 3.45Å; F729-V742 HydrophobicContact CD2-CG2 3.83Å; F729-V742 HydrophobicContact CE1-CG2 3.63Å; F729-V742 HydrophobicContact CE2-CG2 3.99Å; F729-V742 HydrophobicContact CG-CG2 3.55Å; F729-V742 HydrophobicContact CZ-CG2 3.89Å
730	T	85.8	Confident	86.2	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.6	178.5	62.8	0	0	0	0	113.7	M673 T727 D728 A815 L818 I819	M673-T730 WeakPolarHBondContact CE-O 3.34Å; T727-T730 PolarHBondContact O-OG1 3.24Å; D728-T730 PolarHBondContact O-N 2.89Å; T730-A815 HydrophobicContact CG2-CB 3.87Å; T730-L818 HydrophobicContact CG2-CD2 3.86Å; T730-I819 HydrophobicContact CG2-CD1 4.27Å; T730-I819 HydrophobicContact CG2-CG1 4.13Å
731	R	80.8	Confident	86	Confident	40 Å²	40	33.4 Å²	33.4	15%	0.151	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	13.3	171.2	-64.1	178.3	-70.4	-173.3	-0.7	111.8	I684 Q685 I688 D728 F729 R733	I684-R731 HydrophobicContact CG2-CG 4.21Å; Q685-R731 VanDerWaalsContact OE1-NH1 3.08Å; I688-R731 HydrophobicContact CD1-CG 3.55Å; D728-R731 PolarHBondContact O-N 2.93Å; D728-R731 IonicContact OD1-CZ 2.73Å; D728-R731 IonicContact OD1-NE 3.14Å; D728-R731 IonicContact OD1-NH2 3.82Å; D728-R731 PolarHBondContact OD1-NH2 2.89Å; F729-R731 PolarHBondContact O-N 3.43Å; F729-R731 VanDerWaalsContact O-N 3.13Å; R731-R733 HydrophobicContact CB-CG 4.09Å; R731-R733 VanDerWaalsContact CZ-NE 3.34Å; R731-R733 VanDerWaalsContact NE-NH1 3.19Å
732	G	77.2	Confident	85.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	34.6	-175.4	0	0	0	0	0	113.4	R670 Q674 F729	R670-G732 VanDerWaalsContact CG-C 3.45Å; R670-G732 WeakPolarHBondContact CG-O 3.45Å; R670-G732 PolarHBondContact NE-O 2.8Å; R670-G732 WeakPolarHBondContact O-CA 3.49Å; Q674-G732 PolarHBondContact NE2-O 2.94Å; F729-G732 WeakPolarHBondContact O-CA 3.38Å; F729-G732 PolarHBondContact O-N 2.93Å
733	R	75.3	Confident	85.6	Confident	21 Å²	21	30.3 Å²	30.3	8%	0.079	16%	0.157	C	C	.	.			trans	-140.2	-172.7	-179.2	63.7	164.9	179.7	-127.5	53.4	113.9	D638 G640 D728 F729 R731	D638-R733 WeakPolarHBondContact OD1-CD 3.49Å; D638-R733 IonicContact OD1-CZ 3.38Å; D638-R733 IonicContact OD1-NE 3.47Å; D638-R733 PolarHBondContact OD1-NE 3.33Å; D638-R733 IonicContact OD1-NH1 2.8Å; D638-R733 IonicContact OD1-NH2 3.33Å; D638-R733 PolarHBondContact OD1-NH2 3.46Å; D638-R733 VanDerWaalsContact OD1-NH2 3.14Å; D638-R733 IonicContact OD2-NE 2.88Å; G640-R733 VanDerWaalsContact CA-NH2 3.32Å; D728-R733 CarbonylContact C-O 3.35Å; D728-R733 VanDerWaalsContact C-O 3.26Å; D728-R733 HydrophobicContact CB-CG 3.93Å; D728-R733 CarbonylContact O-C 3.58Å; D728-R733 WeakPolarHBondContact O-CG 3.47Å; D728-R733 PolarHBondContact O-N 3.05Å; D728-R733 IonicContact OD1-CZ 2.73Å; D728-R733 IonicContact OD1-NE 3.62Å; D728-R733 PolarHBondContact OD1-NE 3.05Å; D728-R733 IonicContact OD1-NH2 2.82Å; F729-R733 VanDerWaalsContact CA-O 3.31Å; F729-R733 WeakPolarHBondContact CA-O 3.38Å; F729-R733 PolarHBondContact N-O 2.76Å; R731-R733 HydrophobicContact CB-CG 4.09Å; R731-R733 VanDerWaalsContact CZ-NE 3.34Å; R731-R733 VanDerWaalsContact NE-NH1 3.19Å
734	G	78.4	Confident	85.5	Confident	24 Å²	24	33.4 Å²	33.4	25%	0.247	17%	0.174	C	C	.	.	S	Bend	trans	83.5	-173.3	-176.4	0	0	0	0	0	113.6	R670 L736	R670-G734 PolarHBondContact NH1-O 3.31Å; R670-G734 VanDerWaalsContact NH1-O 3.14Å; G734-L736 VanDerWaalsContact C-N 3.31Å
735	P	82	Confident	85.7	Confident	66 Å²	66	32.1 Å²	32.1	43%	0.429	17%	0.168	S	C	.	.	S	Bend	trans	-75.8	-19.3	-178.5	29.6	-33.1	0	0	0	113.3	E725	E725-P735 HydrophobicContact CB-CG 3.92Å; E725-P735 VanDerWaalsContact CD-CG 3.41Å; E725-P735 HydrophobicContact CG-CG 3.5Å
736	L	85.4	Confident	85.9	Confident	13 Å²	13	30.2 Å²	30.2	7%	0.068	16%	0.159	C	C	.	.			trans	-79.6	130.1	179.5	-46.9	-178.4	0	0	0	109.4	E725 M726 F729 G734 D741 V742 A745	E725-L736 HydrophobicContact CB-CD1 4.16Å; E725-L736 HydrophobicContact CB-CG 4.18Å; E725-L736 WeakPolarHBondContact O-CD1 3.47Å; M726-L736 HydrophobicContact CB-CD1 4.42Å; M726-L736 HydrophobicContact CG-CD1 3.83Å; F729-L736 HydrophobicContact CB-CB 4.22Å; F729-L736 HydrophobicContact CB-CD1 4.28Å; F729-L736 HydrophobicContact CD2-CB 3.97Å; F729-L736 HydrophobicContact CG-CB 4.4Å; G734-L736 VanDerWaalsContact C-N 3.31Å; L736-D741 HydrophobicContact CB-CB 3.96Å; L736-D741 HydrophobicContact CD2-CB 4Å; L736-V742 HydrophobicContact CB-CG2 4.36Å; L736-V742 HydrophobicContact CD1-CG2 4.09Å; L736-A745 HydrophobicContact CD1-CB 4.11Å; L736-A745 HydrophobicContact CD2-CB 4.22Å
737	K	81.5	Confident	86	Confident	128 Å²	128	35.2 Å²	35.2	56%	0.557	18%	0.181	S	C	*	.			trans	-109.9	-38.6	-174.5	-61.3	-177.3	179.5	-178.1	0	112.6	R670 D741	R670-K737 WeakPolarHBondContact CB-O 3.34Å; K737-D741 WeakPolarHBondContact CA-OD2 3.35Å; K737-D741 WeakPolarHBondContact CB-OD2 3.4Å; K737-D741 PolarHBondContact N-OD2 3.1Å
738	N	83.5	Confident	86.3	Confident	31 Å²	31	40.2 Å²	40.2	17%	0.166	20%	0.202	C	C	.	.	S	Bend	trans	-132.3	173.4	-176.2	59.7	44.1	0	0	0	111.5	M740 D741 V742	N738-M740 PolarHBondContact O-N 2.88Å; N738-M740 WeakPolarHBondContact OD1-CA 3.39Å; N738-M740 WeakPolarHBondContact OD1-CB 3.38Å; N738-M740 PolarHBondContact OD1-N 2.92Å; N738-M740 VanDerWaalsContact OD1-N 3.09Å; N738-D741 PolarHBondContact N-OD2 3.26Å; N738-D741 WeakPolarHBondContact O-CB 3.4Å; N738-D741 PolarHBondContact O-N 3.5Å; N738-D741 VanDerWaalsContact O-N 3.12Å; N738-D741 PolarHBondContact OD1-N 3.09Å; N738-D741 PolarHBondContact OD1-OD2 2.97Å; N738-V742 PolarHBondContact O-N 2.99Å
739	T	82.5	Confident	86.8	Confident	21 Å²	21	38.6 Å²	38.6	13%	0.129	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-31.2	179.9	-52.5	0	0	0	0	112.3	R669 D741 V742 I743 V796	R669-T739 WeakPolarHBondContact CD-OG1 3.36Å; R669-T739 PolarHBondContact NH1-OG1 3.39Å; T739-D741 VanDerWaalsContact C-N 3.34Å; T739-D741 PolarHBondContact O-N 3.44Å; T739-V742 PolarHBondContact O-N 2.92Å; T739-I743 HydrophobicContact CG2-CD1 4.02Å; T739-I743 HydrophobicContact CG2-CG1 4.43Å; T739-I743 VanDerWaalsContact O-CG1 3.27Å; T739-I743 WeakPolarHBondContact O-CG1 3.3Å; T739-I743 PolarHBondContact O-N 3.28Å; T739-V796 HydrophobicContact CG2-CB 4.35Å
740	M	85.8	Confident	87.2	Confident	103 Å²	103	39.4 Å²	39.4	51%	0.507	20%	0.2	S	C	.	.	H	α-helix	trans	-65.5	-37.3	176.4	-72.7	-64.1	-74	0	0	112	N738 I743 N744	N738-M740 PolarHBondContact O-N 2.88Å; N738-M740 WeakPolarHBondContact OD1-CA 3.39Å; N738-M740 WeakPolarHBondContact OD1-CB 3.38Å; N738-M740 PolarHBondContact OD1-N 2.92Å; N738-M740 VanDerWaalsContact OD1-N 3.09Å; M740-I743 PolarHBondContact O-N 3.36Å; M740-I743 HydrophobicContact SD-CD1 4.25Å; M740-N744 WeakPolarHBondContact O-CB 3.31Å; M740-N744 PolarHBondContact O-N 2.84Å; M740-N744 PolarHBondContact O-ND2 3.23Å; M740-N744 VanDerWaalsContact O-ND2 3.15Å
741	D	90	Very high	87.8	Confident	50 Å²	50	44.9 Å²	44.9	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-43.1	173.4	-63.7	-34.2	0	0	0	111.5	L736 K737 N738 T739 N744 A745	L736-D741 HydrophobicContact CB-CB 3.96Å; L736-D741 HydrophobicContact CD2-CB 4Å; K737-D741 WeakPolarHBondContact CA-OD2 3.35Å; K737-D741 WeakPolarHBondContact CB-OD2 3.4Å; K737-D741 PolarHBondContact N-OD2 3.1Å; N738-D741 PolarHBondContact N-OD2 3.26Å; N738-D741 WeakPolarHBondContact O-CB 3.4Å; N738-D741 PolarHBondContact O-N 3.5Å; N738-D741 VanDerWaalsContact O-N 3.12Å; N738-D741 PolarHBondContact OD1-N 3.09Å; N738-D741 PolarHBondContact OD1-OD2 2.97Å; T739-D741 VanDerWaalsContact C-N 3.34Å; T739-D741 PolarHBondContact O-N 3.44Å; D741-N744 PolarHBondContact O-N 2.87Å; D741-A745 VanDerWaalsContact O-CB 3.31Å; D741-A745 WeakPolarHBondContact O-CB 3.11Å; D741-A745 PolarHBondContact O-N 3.46Å
742	V	89.7	Confident	88.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-41.1	177.8	-174.5	0	0	0	0	111.5	M726 F729 L736 N738 T739 A745 A746 L818	M726-V742 HydrophobicContact CE-CG1 3.81Å; F729-V742 HydrophobicContact CB-CG2 4.25Å; F729-V742 HydrophobicContact CD1-CG2 3.45Å; F729-V742 VanDerWaalsContact CD1-CG2 3.45Å; F729-V742 HydrophobicContact CD2-CG2 3.83Å; F729-V742 HydrophobicContact CE1-CG2 3.63Å; F729-V742 HydrophobicContact CE2-CG2 3.99Å; F729-V742 HydrophobicContact CG-CG2 3.55Å; F729-V742 HydrophobicContact CZ-CG2 3.89Å; L736-V742 HydrophobicContact CB-CG2 4.36Å; L736-V742 HydrophobicContact CD1-CG2 4.09Å; N738-V742 PolarHBondContact O-N 2.99Å; T739-V742 PolarHBondContact O-N 2.92Å; V742-A745 WeakPolarHBondContact O-CB 3.4Å; V742-A745 PolarHBondContact O-N 3.42Å; V742-A746 PolarHBondContact O-N 3.43Å; V742-L818 HydrophobicContact CG1-CD2 3.99Å
743	I	90	Very high	89.4	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-43.5	174.5	-68	165.5	0	0	0	110.5	T739 M740 A745 A746 K747 S794 K795	T739-I743 HydrophobicContact CG2-CD1 4.02Å; T739-I743 HydrophobicContact CG2-CG1 4.43Å; T739-I743 VanDerWaalsContact O-CG1 3.27Å; T739-I743 WeakPolarHBondContact O-CG1 3.3Å; T739-I743 PolarHBondContact O-N 3.28Å; M740-I743 PolarHBondContact O-N 3.36Å; M740-I743 HydrophobicContact SD-CD1 4.25Å; I743-A745 VanDerWaalsContact C-N 3.34Å; I743-A746 PolarHBondContact O-N 3.46Å; I743-K747 WeakPolarHBondContact O-CG 3.38Å; I743-K747 PolarHBondContact O-N 3.44Å; I743-S794 WeakPolarHBondContact CG1-O 3.4Å; I743-K795 HydrophobicContact CD1-CG 4.1Å; I743-K795 HydrophobicContact CG1-CG 4.15Å
744	N	92.6	Very high	90.4	Very high	65 Å²	65	45.9 Å²	45.9	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-35.6	178.2	-71.5	-27.8	0	0	0	111.9	M740 D741 K747 K748	M740-N744 WeakPolarHBondContact O-CB 3.31Å; M740-N744 PolarHBondContact O-N 2.84Å; M740-N744 PolarHBondContact O-ND2 3.23Å; M740-N744 VanDerWaalsContact O-ND2 3.15Å; D741-N744 PolarHBondContact O-N 2.87Å; N744-K747 PolarHBondContact O-N 2.96Å; N744-K748 WeakPolarHBondContact O-CG 3.2Å; N744-K748 PolarHBondContact O-N 3.11Å
745	A	93.6	Very high	91.2	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-47	171	0	0	0	0	0	111.4	I722 M726 L736 D741 V742 I743 K747 K748 I749	I722-A745 HydrophobicContact CG2-CB 3.55Å; M726-A745 HydrophobicContact CG-CB 3.9Å; M726-A745 HydrophobicContact SD-CB 3.96Å; L736-A745 HydrophobicContact CD1-CB 4.11Å; L736-A745 HydrophobicContact CD2-CB 4.22Å; D741-A745 VanDerWaalsContact O-CB 3.31Å; D741-A745 WeakPolarHBondContact O-CB 3.11Å; D741-A745 PolarHBondContact O-N 3.46Å; V742-A745 WeakPolarHBondContact O-CB 3.4Å; V742-A745 PolarHBondContact O-N 3.42Å; I743-A745 VanDerWaalsContact C-N 3.34Å; A745-K747 VanDerWaalsContact C-N 3.33Å; A745-K747 PolarHBondContact O-N 3.11Å; A745-K748 PolarHBondContact O-N 2.97Å; A745-I749 WeakPolarHBondContact O-CG1 3.47Å; A745-I749 PolarHBondContact O-N 3.04Å
746	A	94.6	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-37.5	175.9	0	0	0	0	0	112.9	M726 V742 I743 I749 S750 L790 N791 S794	M726-A746 HydrophobicContact CE-CB 4.06Å; V742-A746 PolarHBondContact O-N 3.43Å; I743-A746 PolarHBondContact O-N 3.46Å; A746-I749 PolarHBondContact O-N 2.92Å; A746-S750 WeakPolarHBondContact O-CB 3.38Å; A746-S750 PolarHBondContact O-N 3.1Å; A746-S750 PolarHBondContact O-OG 2.73Å; A746-L790 HydrophobicContact CB-CG 4.33Å; A746-N791 WeakPolarHBondContact CB-OD1 3.37Å; A746-N791 PolarHBondContact O-OD1 2.94Å; A746-S794 WeakPolarHBondContact CB-OG 3.29Å
747	K	95.2	Very high	92.4	Very high	104 Å²	104	48.1 Å²	48.1	45%	0.452	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-47.1	172.6	-71.8	174.4	-175.9	170.9	0	112.1	I743 N744 A745 I749 S750 E751	I743-K747 WeakPolarHBondContact O-CG 3.38Å; I743-K747 PolarHBondContact O-N 3.44Å; N744-K747 PolarHBondContact O-N 2.96Å; A745-K747 VanDerWaalsContact C-N 3.33Å; A745-K747 PolarHBondContact O-N 3.11Å; K747-I749 VanDerWaalsContact C-N 3.3Å; K747-I749 PolarHBondContact O-N 3.38Å; K747-S750 WeakPolarHBondContact O-CB 3.29Å; K747-S750 PolarHBondContact O-N 3.5Å; K747-E751 WeakPolarHBondContact O-CG 3.36Å; K747-E751 PolarHBondContact O-N 3.2Å
748	K	96.6	Very high	93	Very high	106 Å²	106	44.6 Å²	44.6	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-41.2	176	-73	172.7	-179.4	178.2	0	111.9	I722 N744 A745 S750 E751 A752	I722-K748 HydrophobicContact CD1-CB 3.83Å; N744-K748 WeakPolarHBondContact O-CG 3.2Å; N744-K748 PolarHBondContact O-N 3.11Å; A745-K748 PolarHBondContact O-N 2.97Å; K748-S750 VanDerWaalsContact C-N 3.33Å; K748-E751 PolarHBondContact O-N 3.09Å; K748-A752 WeakPolarHBondContact O-CB 3.45Å; K748-A752 PolarHBondContact O-N 3.44Å
749	I	96.3	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-43.6	173.4	-72.8	171.6	0	0	0	110.6	M719 I722 M723 M726 A745 A746 K747 A752 G753 L790 L825	M719-I749 HydrophobicContact CE-CG2 3.93Å; I722-I749 HydrophobicContact CB-CD1 3.77Å; I722-I749 HydrophobicContact CB-CG1 3.64Å; I722-I749 HydrophobicContact CD1-CG1 3.89Å; I722-I749 HydrophobicContact CG1-CG1 4.4Å; I722-I749 HydrophobicContact CG2-CD1 3.52Å; I722-I749 HydrophobicContact CG2-CG1 3.61Å; M723-I749 HydrophobicContact CG-CD1 3.68Å; M726-I749 HydrophobicContact SD-CD1 3.55Å; M726-I749 VanDerWaalsContact SD-CD1 3.55Å; A745-I749 WeakPolarHBondContact O-CG1 3.47Å; A745-I749 PolarHBondContact O-N 3.04Å; A746-I749 PolarHBondContact O-N 2.92Å; K747-I749 VanDerWaalsContact C-N 3.3Å; K747-I749 PolarHBondContact O-N 3.38Å; I749-A752 PolarHBondContact O-N 3.31Å; I749-G753 PolarHBondContact O-N 3.25Å; I749-L790 HydrophobicContact CB-CD2 4.36Å; I749-L790 HydrophobicContact CD1-CD2 3.59Å; I749-L790 HydrophobicContact CG2-CD2 4Å; I749-L825 HydrophobicContact CG2-CD2 3.41Å; I749-L825 VanDerWaalsContact CG2-CD2 3.41Å
750	S	95.6	Very high	94	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-39	-179.3	-58.6	0	0	0	0	112.7	A746 K747 K748 S754 N791	A746-S750 WeakPolarHBondContact O-CB 3.38Å; A746-S750 PolarHBondContact O-N 3.1Å; A746-S750 PolarHBondContact O-OG 2.73Å; K747-S750 WeakPolarHBondContact O-CB 3.29Å; K747-S750 PolarHBondContact O-N 3.5Å; K748-S750 VanDerWaalsContact C-N 3.33Å; S750-S754 WeakPolarHBondContact O-CB 3.1Å; S750-S754 PolarHBondContact O-N 2.9Å; S750-S754 PolarHBondContact O-OG 3.47Å; S750-N791 PolarHBondContact OG-ND2 3.21Å
751	E	96.8	Very high	94.3	Very high	119 Å²	119	42.6 Å²	42.6	56%	0.556	22%	0.221	S	C	*	.	H	α-helix	trans	-63.7	-46.5	172.1	-70.6	172.7	-166.3	0	0	111.6	K747 K748 S754 K755	K747-E751 WeakPolarHBondContact O-CG 3.36Å; K747-E751 PolarHBondContact O-N 3.2Å; K748-E751 PolarHBondContact O-N 3.09Å; E751-S754 PolarHBondContact O-N 2.93Å; E751-K755 WeakPolarHBondContact O-CG 3.24Å; E751-K755 PolarHBondContact O-N 3.43Å; E751-K755 VanDerWaalsContact O-N 3.1Å
752	A	95.9	Very high	94.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.8	0	0	0	0	0	111.9	L715 Y718 M719 K748 I749 S754 K755 L756	L715-A752 HydrophobicContact CD2-CB 4.18Å; Y718-A752 HydrophobicContact CD1-CB 3.86Å; Y718-A752 HydrophobicContact CE1-CB 4.22Å; M719-A752 HydrophobicContact CG-CB 3.64Å; M719-A752 HydrophobicContact SD-CB 4.29Å; K748-A752 WeakPolarHBondContact O-CB 3.45Å; K748-A752 PolarHBondContact O-N 3.44Å; I749-A752 PolarHBondContact O-N 3.31Å; A752-S754 VanDerWaalsContact C-N 3.33Å; A752-S754 PolarHBondContact O-N 3.5Å; A752-K755 PolarHBondContact O-N 3.14Å; A752-L756 WeakPolarHBondContact O-CB 3.5Å; A752-L756 PolarHBondContact O-N 3.1Å
753	G	96.3	Very high	94.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-36.4	176.3	0	0	0	0	0	112.7	I749 L756 N757	I749-G753 PolarHBondContact O-N 3.25Å; G753-L756 PolarHBondContact O-N 2.92Å; G753-N757 VanDerWaalsContact O-CB 3.31Å; G753-N757 WeakPolarHBondContact O-CB 3.48Å; G753-N757 PolarHBondContact O-N 2.87Å
754	S	96.6	Very high	94.2	Very high	77 Å²	77	43.6 Å²	43.6	54%	0.538	22%	0.223	S	C	.	.	H	α-helix	trans	-66.5	-41.9	174.2	-61.8	0	0	0	0	112.1	S750 E751 A752 N757 A758	S750-S754 WeakPolarHBondContact O-CB 3.1Å; S750-S754 PolarHBondContact O-N 2.9Å; S750-S754 PolarHBondContact O-OG 3.47Å; E751-S754 PolarHBondContact O-N 2.93Å; A752-S754 VanDerWaalsContact C-N 3.33Å; A752-S754 PolarHBondContact O-N 3.5Å; S754-N757 PolarHBondContact O-N 3.45Å; S754-A758 PolarHBondContact O-N 3.27Å
755	K	95.9	Very high	94	Very high	127 Å²	127	45.1 Å²	45.1	55%	0.552	23%	0.231	S	C	*	.	H	α-helix	trans	-64.8	-43.2	173.9	-69	175.5	-177.6	176.5	0	111.8	L715 E751 A752 N757 A758 L759	L715-K755 HydrophobicContact CD1-CB 3.71Å; L715-K755 HydrophobicContact CD2-CB 4.21Å; L715-K755 HydrophobicContact CD2-CD 4.31Å; E751-K755 WeakPolarHBondContact O-CG 3.24Å; E751-K755 PolarHBondContact O-N 3.43Å; E751-K755 VanDerWaalsContact O-N 3.1Å; A752-K755 PolarHBondContact O-N 3.14Å; K755-N757 VanDerWaalsContact C-N 3.33Å; K755-N757 PolarHBondContact O-N 3.3Å; K755-A758 PolarHBondContact O-N 3.36Å; K755-L759 WeakPolarHBondContact O-CG 3.46Å; K755-L759 PolarHBondContact O-N 3.21Å; K755-L759 VanDerWaalsContact O-N 3.09Å
756	L	96.1	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-44.4	176.4	-176	157.4	0	0	0	110.3	L715 A716 M719 A752 G753 A758 L759 A760 I783 V829 T832	L715-L756 HydrophobicContact CB-CB 4.31Å; L715-L756 HydrophobicContact CB-CD1 4.39Å; L715-L756 HydrophobicContact CD1-CB 4.15Å; A716-L756 HydrophobicContact CB-CD1 4.09Å; M719-L756 HydrophobicContact SD-CD1 3.99Å; A752-L756 WeakPolarHBondContact O-CB 3.5Å; A752-L756 PolarHBondContact O-N 3.1Å; G753-L756 PolarHBondContact O-N 2.92Å; L756-A758 PolarHBondContact O-N 3.24Å; L756-L759 PolarHBondContact O-N 3.46Å; L756-A760 VanDerWaalsContact O-CB 3.29Å; L756-A760 WeakPolarHBondContact O-CB 3.47Å; L756-A760 PolarHBondContact O-N 3.38Å; L756-I783 HydrophobicContact CD2-CD1 3.7Å; L756-V829 HydrophobicContact CD1-CG1 4.36Å; L756-T832 HydrophobicContact CD2-CG2 3.65Å
757	N	95.2	Very high	93	Very high	22 Å²	22	48 Å²	48	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-43.3	174.8	-83.3	-8	0	0	0	112.2	G753 S754 K755 K761 L780 T784	G753-N757 VanDerWaalsContact O-CB 3.31Å; G753-N757 WeakPolarHBondContact O-CB 3.48Å; G753-N757 PolarHBondContact O-N 2.87Å; S754-N757 PolarHBondContact O-N 3.45Å; K755-N757 VanDerWaalsContact C-N 3.33Å; K755-N757 PolarHBondContact O-N 3.3Å; N757-K761 WeakPolarHBondContact O-CB 3.33Å; N757-K761 PolarHBondContact O-N 3.24Å; N757-L780 PolarHBondContact ND2-O 3.08Å; N757-L780 VanDerWaalsContact ND2-O 3.11Å; N757-L780 WeakPolarHBondContact OD1-CA 3.29Å; N757-L780 WeakPolarHBondContact OD1-CB 3.42Å; N757-L780 VanDerWaalsContact OD1-CD2 3.31Å; N757-L780 WeakPolarHBondContact OD1-CD2 3.44Å; N757-T784 PolarHBondContact ND2-OG1 3.35Å
758	A	94.4	Very high	92.5	Very high	55 Å²	55	46.8 Å²	46.8	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-46.5	178.3	0	0	0	0	0	112.1	S754 K755 L756 K761 Q762	S754-A758 PolarHBondContact O-N 3.27Å; K755-A758 PolarHBondContact O-N 3.36Å; L756-A758 PolarHBondContact O-N 3.24Å; A758-K761 PolarHBondContact O-N 2.94Å; A758-Q762 WeakPolarHBondContact O-CG 3.37Å; A758-Q762 PolarHBondContact O-N 2.79Å; A758-Q762 VanDerWaalsContact O-N 3.14Å
759	L	93	Very high	92	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-47.2	178.1	-69.6	174.9	0	0	0	112.3	D711 I712 L715 K755 L756 K761 Q762 I763 I854	D711-L759 HydrophobicContact CB-CD1 3.62Å; I712-L759 HydrophobicContact CD1-CB 4.21Å; I712-L759 HydrophobicContact CG1-CB 3.86Å; I712-L759 HydrophobicContact CG1-CD1 4.18Å; L715-L759 HydrophobicContact CD1-CD1 3.88Å; K755-L759 WeakPolarHBondContact O-CG 3.46Å; K755-L759 PolarHBondContact O-N 3.21Å; K755-L759 VanDerWaalsContact O-N 3.09Å; L756-L759 PolarHBondContact O-N 3.46Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 2.9Å; L759-Q762 WeakPolarHBondContact O-CB 3.47Å; L759-Q762 PolarHBondContact O-N 2.89Å; L759-I763 PolarHBondContact O-N 3.14Å; L759-I854 HydrophobicContact CB-CD1 4.14Å; L759-I854 HydrophobicContact CD2-CD1 4.5Å
760	A	93.2	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.8	-30.6	179.6	0	0	0	0	0	112.3	I712 L756 I763 A764 L776 L780 T832	I712-A760 HydrophobicContact CD1-CB 4.22Å; L756-A760 VanDerWaalsContact O-CB 3.29Å; L756-A760 WeakPolarHBondContact O-CB 3.47Å; L756-A760 PolarHBondContact O-N 3.38Å; A760-I763 WeakPolarHBondContact O-CB 3.34Å; A760-I763 PolarHBondContact O-N 3.39Å; A760-A764 PolarHBondContact O-N 2.98Å; A760-L776 HydrophobicContact CB-CD1 4.34Å; A760-L780 HydrophobicContact CB-CD1 4.16Å; A760-L780 HydrophobicContact CB-CD2 3.55Å; A760-L780 HydrophobicContact CB-CG 4.47Å; A760-T832 HydrophobicContact CB-CG2 4.05Å
761	K	93	Very high	91.2	Very high	78 Å²	78	52.1 Å²	52.1	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-39.7	174.2	-178.2	57.9	178.5	146.7	0	111.5	N757 A758 L759 A764 D765 L777 L780	N757-K761 WeakPolarHBondContact O-CB 3.33Å; N757-K761 PolarHBondContact O-N 3.24Å; A758-K761 PolarHBondContact O-N 2.94Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 2.9Å; K761-A764 WeakPolarHBondContact O-CB 3.22Å; K761-A764 PolarHBondContact O-N 3.4Å; K761-A764 VanDerWaalsContact O-N 3.15Å; K761-D765 WeakPolarHBondContact CE-OD1 3.35Å; K761-D765 IonicContact NZ-OD1 2.95Å; K761-D765 PolarHBondContact NZ-OD1 2.94Å; K761-D765 IonicContact NZ-OD2 2.69Å; K761-D765 PolarHBondContact O-N 3.39Å; K761-L777 HydrophobicContact CD-CD2 3.4Å; K761-L777 VanDerWaalsContact NZ-CD2 3.31Å; K761-L780 HydrophobicContact CB-CD1 3.83Å; K761-L780 HydrophobicContact CD-CD1 4.38Å
762	Q	89.9	Confident	90.8	Very high	84 Å²	84	47.4 Å²	47.4	39%	0.393	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-44.3	172.3	-71.1	172.1	-7.9	0	0	111.6	A758 L759 A764 D765 E766	A758-Q762 WeakPolarHBondContact O-CG 3.37Å; A758-Q762 PolarHBondContact O-N 2.79Å; A758-Q762 VanDerWaalsContact O-N 3.14Å; L759-Q762 WeakPolarHBondContact O-CB 3.47Å; L759-Q762 PolarHBondContact O-N 2.89Å; Q762-A764 VanDerWaalsContact C-N 3.29Å; Q762-A764 PolarHBondContact O-N 2.77Å; Q762-D765 PolarHBondContact O-N 2.89Å; Q762-E766 PolarHBondContact O-N 3.27Å
763	I	89.1	Confident	90.5	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-44.5	172.9	-65.5	174.8	0	0	0	110.8	I712 L759 A760 D765 E766 C767 L776 A836 A839 I854	I712-I763 HydrophobicContact CD1-CD1 3.48Å; I712-I763 VanDerWaalsContact CD1-CD1 3.48Å; L759-I763 PolarHBondContact O-N 3.14Å; A760-I763 WeakPolarHBondContact O-CB 3.34Å; A760-I763 PolarHBondContact O-N 3.39Å; I763-D765 VanDerWaalsContact C-N 3.33Å; I763-D765 PolarHBondContact O-N 3.11Å; I763-E766 CarbonylContact O-C 3.33Å; I763-E766 PolarHBondContact O-N 3.07Å; I763-C767 WeakPolarHBondContact O-CB 3.42Å; I763-C767 PolarHBondContact O-N 3.48Å; I763-L776 HydrophobicContact CG2-CD2 4.34Å; I763-A836 HydrophobicContact CD1-CB 3.95Å; I763-A839 HydrophobicContact CG2-CB 3.86Å; I763-I854 HydrophobicContact CD1-CD1 3.74Å; I763-I854 HydrophobicContact CG1-CD1 4.24Å
764	A	88.7	Confident	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-38.7	178.9	0	0	0	0	0	112.3	A760 K761 Q762 E766 C767 K773 L776 L777	A760-A764 PolarHBondContact O-N 2.98Å; K761-A764 WeakPolarHBondContact O-CB 3.22Å; K761-A764 PolarHBondContact O-N 3.4Å; K761-A764 VanDerWaalsContact O-N 3.15Å; Q762-A764 VanDerWaalsContact C-N 3.29Å; Q762-A764 PolarHBondContact O-N 2.77Å; A764-E766 VanDerWaalsContact C-N 3.33Å; A764-C767 WeakPolarHBondContact O-CB 3.5Å; A764-C767 PolarHBondContact O-N 2.88Å; A764-K773 HydrophobicContact CB-CG 4.33Å; A764-K773 WeakPolarHBondContact O-CD 3.48Å; A764-K773 WeakPolarHBondContact O-CE 3.44Å; A764-L776 HydrophobicContact CB-CD2 3.9Å; A764-L776 HydrophobicContact CB-CG 4.4Å; A764-L777 HydrophobicContact CB-CD2 3.72Å; A764-L777 HydrophobicContact CB-CG 4.16Å
765	D	87.7	Confident	90.1	Very high	97 Å²	97	52.4 Å²	52.4	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-71.9	-29.7	179.9	-64.5	-20.4	0	0	0	111.9	K761 Q762 I763 C767	K761-D765 WeakPolarHBondContact CE-OD1 3.35Å; K761-D765 IonicContact NZ-OD1 2.95Å; K761-D765 PolarHBondContact NZ-OD1 2.94Å; K761-D765 IonicContact NZ-OD2 2.69Å; K761-D765 PolarHBondContact O-N 3.39Å; Q762-D765 PolarHBondContact O-N 2.89Å; I763-D765 VanDerWaalsContact C-N 3.33Å; I763-D765 PolarHBondContact O-N 3.11Å; D765-C767 VanDerWaalsContact C-N 3.32Å
766	E	85.6	Confident	90	Very high	60 Å²	60	46.3 Å²	46.3	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.2	171.2	-70	-177.7	-175.6	0	0	113.9	Q762 I763 A764 S845 A848	Q762-E766 PolarHBondContact O-N 3.27Å; I763-E766 CarbonylContact O-C 3.33Å; I763-E766 PolarHBondContact O-N 3.07Å; A764-E766 VanDerWaalsContact C-N 3.33Å; E766-S845 WeakPolarHBondContact O-CA 3.31Å; E766-S845 WeakPolarHBondContact O-CB 3.16Å; E766-S845 PolarHBondContact O-N 3.2Å; E766-A848 HydrophobicContact CB-CB 4.2Å
767	C	82.4	Confident	89.9	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.041	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-87.8	138.9	179.7	-176.2	0	0	0	0	111	I763 A764 D765 K773 A839 Y843	I763-C767 WeakPolarHBondContact O-CB 3.42Å; I763-C767 PolarHBondContact O-N 3.48Å; A764-C767 WeakPolarHBondContact O-CB 3.5Å; A764-C767 PolarHBondContact O-N 2.88Å; D765-C767 VanDerWaalsContact C-N 3.32Å; C767-K773 HydrophobicContact CB-CB 4.45Å; C767-K773 HydrophobicContact CB-CD 4.26Å; C767-K773 HydrophobicContact CB-CG 4.41Å; C767-K773 PolarHBondContact O-NZ 3.36Å; C767-A839 HydrophobicContact CB-CB 4.28Å; C767-Y843 WeakPolarHBondContact CA-O 3.35Å; C767-Y843 WeakPolarHBondContact SG-CB 3.42Å
768	V	85.4	Confident	89.8	Confident	78 Å²	78	49.2 Å²	49.2	47%	0.473	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.7	168.3	-177.4	0	0	0	0	109.2	S770 Y843	V768-S770 PolarHBondContact O-N 3.08Å; V768-S770 VanDerWaalsContact O-N 3.08Å; V768-S770 PolarHBondContact O-OG 3.44Å; V768-S770 VanDerWaalsContact O-OG 3.13Å; V768-Y843 PolarHBondContact N-O 3.31Å
769	E	85.7	Confident	89.9	Confident	122 Å²	122	47.5 Å²	47.5	57%	0.57	24%	0.24	S	C	*	.	S	Bend	trans	-56.8	117.9	178.9	-162.3	58.1	-143.2	0	0	110.4	K773	E769-K773 WeakPolarHBondContact OE2-CE 3.39Å; E769-K773 IonicContact OE2-NZ 3.58Å; E769-K773 PolarHBondContact OE2-NZ 2.86Å
770	S	87.1	Confident	89.9	Confident	17 Å²	17	46.4 Å²	46.4	12%	0.119	23%	0.234	C	C	.	.			trans	-156	161.3	-170.9	59.4	0	0	0	0	109.5	V768 T772 K773 K774	V768-S770 PolarHBondContact O-N 3.08Å; V768-S770 VanDerWaalsContact O-N 3.08Å; V768-S770 PolarHBondContact O-OG 3.44Å; V768-S770 VanDerWaalsContact O-OG 3.13Å; S770-T772 VanDerWaalsContact C-N 3.26Å; S770-T772 PolarHBondContact O-N 3.01Å; S770-K773 WeakPolarHBondContact O-CB 3.42Å; S770-K773 PolarHBondContact O-N 3.44Å; S770-K773 PolarHBondContact OG-N 3.13Å; S770-K774 PolarHBondContact O-N 3.41Å
771	E	87.6	Confident	90.1	Very high	100 Å²	100	53.2 Å²	53.2	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-39.5	174.1	-167.2	68.1	177.2	0	0	111.2	K362 K773 K774 D775	K362-E771 IonicContact NZ-OE1 3.86Å; K362-E771 PolarHBondContact NZ-OE1 3.49Å; E771-K773 VanDerWaalsContact C-N 3.29Å; E771-K773 PolarHBondContact O-N 3.22Å; E771-K774 WeakPolarHBondContact O-CB 3.45Å; E771-K774 PolarHBondContact O-N 2.74Å; E771-D775 PolarHBondContact O-N 3.32Å
772	T	87.5	Confident	90.2	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-38.1	175.8	-54.4	0	0	0	0	112.8	S770 L776 I838 A839	S770-T772 VanDerWaalsContact C-N 3.26Å; S770-T772 PolarHBondContact O-N 3.01Å; T772-L776 VanDerWaalsContact O-CB 3.28Å; T772-L776 WeakPolarHBondContact O-CB 3.43Å; T772-L776 PolarHBondContact O-N 3.46Å; T772-I838 HydrophobicContact CG2-CB 3.9Å; T772-I838 HydrophobicContact CG2-CG2 3.75Å; T772-A839 HydrophobicContact CG2-CB 4.23Å
773	K	90.8	Very high	90.5	Very high	31 Å²	31	49.2 Å²	49.2	14%	0.135	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-42.8	175.2	-179.5	-180	172.5	179.5	0	111.4	A764 C767 E769 S770 E771 L776 L777	A764-K773 HydrophobicContact CB-CG 4.33Å; A764-K773 WeakPolarHBondContact O-CD 3.48Å; A764-K773 WeakPolarHBondContact O-CE 3.44Å; C767-K773 HydrophobicContact CB-CB 4.45Å; C767-K773 HydrophobicContact CB-CD 4.26Å; C767-K773 HydrophobicContact CB-CG 4.41Å; C767-K773 PolarHBondContact O-NZ 3.36Å; E769-K773 WeakPolarHBondContact OE2-CE 3.39Å; E769-K773 IonicContact OE2-NZ 3.58Å; E769-K773 PolarHBondContact OE2-NZ 2.86Å; S770-K773 WeakPolarHBondContact O-CB 3.42Å; S770-K773 PolarHBondContact O-N 3.44Å; S770-K773 PolarHBondContact OG-N 3.13Å; E771-K773 VanDerWaalsContact C-N 3.29Å; E771-K773 PolarHBondContact O-N 3.22Å; K773-L776 PolarHBondContact O-N 2.97Å; K773-L777 WeakPolarHBondContact O-CG 3.25Å; K773-L777 PolarHBondContact O-N 2.87Å
774	K	91.8	Very high	90.8	Very high	113 Å²	113	52.5 Å²	52.5	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.6	-64.8	177.9	-175.8	172.1	0	111.4	S770 E771 L776 L777 A778	S770-K774 PolarHBondContact O-N 3.41Å; E771-K774 WeakPolarHBondContact O-CB 3.45Å; E771-K774 PolarHBondContact O-N 2.74Å; K774-L776 PolarHBondContact O-N 2.82Å; K774-L777 PolarHBondContact O-N 3.35Å; K774-A778 WeakPolarHBondContact O-CB 3.35Å; K774-A778 PolarHBondContact O-N 3.35Å
775	D	91.5	Very high	91.2	Very high	42 Å²	42	56.7 Å²	56.7	23%	0.225	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-47.4	175.7	-71.1	-25.9	0	0	0	110.8	E771 L777 A778 Y779	E771-D775 PolarHBondContact O-N 3.32Å; D775-L777 PolarHBondContact O-N 3.49Å; D775-A778 WeakPolarHBondContact O-CB 3.32Å; D775-A778 PolarHBondContact O-N 2.93Å; D775-Y779 HydrophobicContact CB-CE2 3.91Å; D775-Y779 WeakPolarHBondContact O-CD2 3.44Å; D775-Y779 PolarHBondContact O-N 3.39Å
776	L	93.4	Very high	91.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.1	-51.7	177.1	-178.4	56.4	0	0	0	110.9	A760 I763 A764 T772 K773 K774 A778 Y779 L780 T832 A836 A839	A760-L776 HydrophobicContact CB-CD1 4.34Å; I763-L776 HydrophobicContact CG2-CD2 4.34Å; A764-L776 HydrophobicContact CB-CD2 3.9Å; A764-L776 HydrophobicContact CB-CG 4.4Å; T772-L776 VanDerWaalsContact O-CB 3.28Å; T772-L776 WeakPolarHBondContact O-CB 3.43Å; T772-L776 PolarHBondContact O-N 3.46Å; K773-L776 PolarHBondContact O-N 2.97Å; K774-L776 PolarHBondContact O-N 2.82Å; L776-A778 VanDerWaalsContact C-N 3.32Å; L776-A778 PolarHBondContact O-N 3.25Å; L776-Y779 PolarHBondContact O-N 2.87Å; L776-Y779 VanDerWaalsContact O-N 3.11Å; L776-L780 HydrophobicContact CD1-CD2 4.25Å; L776-L780 VanDerWaalsContact O-CG 3.31Å; L776-L780 WeakPolarHBondContact O-CG 3.5Å; L776-L780 PolarHBondContact O-N 3.35Å; L776-T832 HydrophobicContact CD1-CG2 3.87Å; L776-A836 HydrophobicContact CD1-CB 4.28Å; L776-A839 HydrophobicContact CD2-CB 4.18Å
777	L	94.6	Very high	92.1	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-39.5	178.5	-68.1	178.2	0	0	0	112.8	K761 A764 K773 K774 D775 Y779 L780 Q781	K761-L777 HydrophobicContact CD-CD2 3.4Å; K761-L777 VanDerWaalsContact NZ-CD2 3.31Å; A764-L777 HydrophobicContact CB-CD2 3.72Å; A764-L777 HydrophobicContact CB-CG 4.16Å; K773-L777 WeakPolarHBondContact O-CG 3.25Å; K773-L777 PolarHBondContact O-N 2.87Å; K774-L777 PolarHBondContact O-N 3.35Å; D775-L777 PolarHBondContact O-N 3.49Å; L777-Y779 VanDerWaalsContact C-N 3.34Å; L777-L780 HydrophobicContact CD2-CD1 4.37Å; L777-L780 PolarHBondContact O-N 2.92Å; L777-Q781 WeakPolarHBondContact O-CG 3.27Å; L777-Q781 PolarHBondContact O-N 3.49Å; L777-Q781 VanDerWaalsContact O-N 3.15Å
778	A	94	Very high	92.7	Very high	35 Å²	35	57.1 Å²	57.1	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-40.3	174.7	0	0	0	0	0	111.5	K774 D775 L776 Q781 R782	K774-A778 WeakPolarHBondContact O-CB 3.35Å; K774-A778 PolarHBondContact O-N 3.35Å; D775-A778 WeakPolarHBondContact O-CB 3.32Å; D775-A778 PolarHBondContact O-N 2.93Å; L776-A778 VanDerWaalsContact C-N 3.32Å; L776-A778 PolarHBondContact O-N 3.25Å; A778-Q781 WeakPolarHBondContact O-CB 3.42Å; A778-Q781 PolarHBondContact O-N 3.29Å; A778-R782 WeakPolarHBondContact O-CG 3.45Å; A778-R782 PolarHBondContact O-N 3.14Å
779	Y	95.1	Very high	93	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.078	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-36.2	175.9	-56.6	-32.6	0	0	0	112.6	D775 L776 L777 Q781 R782 I783 L831 T832 S835	D775-Y779 HydrophobicContact CB-CE2 3.91Å; D775-Y779 WeakPolarHBondContact O-CD2 3.44Å; D775-Y779 PolarHBondContact O-N 3.39Å; L776-Y779 PolarHBondContact O-N 2.87Å; L776-Y779 VanDerWaalsContact O-N 3.11Å; L777-Y779 VanDerWaalsContact C-N 3.34Å; Y779-Q781 VanDerWaalsContact C-N 3.33Å; Y779-Q781 PolarHBondContact O-N 3.03Å; Y779-R782 WeakPolarHBondContact O-CB 3.45Å; Y779-R782 PolarHBondContact O-N 3.03Å; Y779-I783 WeakPolarHBondContact O-CG1 3.4Å; Y779-I783 PolarHBondContact O-N 3.13Å; Y779-L831 HydrophobicContact CD1-CB 4.27Å; Y779-L831 HydrophobicContact CD1-CD1 4.23Å; Y779-L831 HydrophobicContact CD2-CB 3.72Å; Y779-L831 HydrophobicContact CE1-CB 4.25Å; Y779-L831 HydrophobicContact CE1-CD1 3.81Å; Y779-L831 HydrophobicContact CE2-CB 3.68Å; Y779-L831 HydrophobicContact CG-CB 4.04Å; Y779-T832 WeakPolarHBondContact CB-OG1 3.37Å; Y779-S835 WeakPolarHBondContact CE2-OG 3.32Å
780	L	94.8	Very high	93.4	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-39	174	-54.8	-171.4	0	0	0	112.2	N757 A760 K761 L776 L777 I783 T784 T832	N757-L780 PolarHBondContact ND2-O 3.08Å; N757-L780 VanDerWaalsContact ND2-O 3.11Å; N757-L780 WeakPolarHBondContact OD1-CA 3.29Å; N757-L780 WeakPolarHBondContact OD1-CB 3.42Å; N757-L780 VanDerWaalsContact OD1-CD2 3.31Å; N757-L780 WeakPolarHBondContact OD1-CD2 3.44Å; A760-L780 HydrophobicContact CB-CD1 4.16Å; A760-L780 HydrophobicContact CB-CD2 3.55Å; A760-L780 HydrophobicContact CB-CG 4.47Å; K761-L780 HydrophobicContact CB-CD1 3.83Å; K761-L780 HydrophobicContact CD-CD1 4.38Å; L776-L780 HydrophobicContact CD1-CD2 4.25Å; L776-L780 VanDerWaalsContact O-CG 3.31Å; L776-L780 WeakPolarHBondContact O-CG 3.5Å; L776-L780 PolarHBondContact O-N 3.35Å; L777-L780 HydrophobicContact CD2-CD1 4.37Å; L777-L780 PolarHBondContact O-N 2.92Å; L780-I783 PolarHBondContact O-N 3.49Å; L780-T784 PolarHBondContact O-N 2.86Å; L780-T784 VanDerWaalsContact O-N 3.09Å; L780-T784 PolarHBondContact O-OG1 3.38Å; L780-T832 HydrophobicContact CD2-CG2 3.55Å
781	Q	95.9	Very high	93.7	Very high	143 Å²	143	51.7 Å²	51.7	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-63.8	-43.1	173.5	-70.5	178.2	-10.4	0	0	111.1	L777 A778 Y779 T784 L785	L777-Q781 WeakPolarHBondContact O-CG 3.27Å; L777-Q781 PolarHBondContact O-N 3.49Å; L777-Q781 VanDerWaalsContact O-N 3.15Å; A778-Q781 WeakPolarHBondContact O-CB 3.42Å; A778-Q781 PolarHBondContact O-N 3.29Å; Y779-Q781 VanDerWaalsContact C-N 3.33Å; Y779-Q781 PolarHBondContact O-N 3.03Å; Q781-T784 WeakPolarHBondContact O-CB 3.34Å; Q781-T784 PolarHBondContact O-N 3.42Å; Q781-L785 PolarHBondContact O-N 3.04Å
782	R	95.8	Very high	93.8	Very high	76 Å²	76	51.6 Å²	51.6	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-42.3	174.4	-71.3	179.4	-174.8	-178.4	1.1	112.4	E363 A778 Y779 T784 L785 Y786	E363-R782 IonicContact OE1-CZ 3.6Å; E363-R782 VanDerWaalsContact OE1-CZ 3.31Å; E363-R782 IonicContact OE1-NH1 3Å; E363-R782 PolarHBondContact OE1-NH1 3.4Å; E363-R782 IonicContact OE1-NH2 2.72Å; E363-R782 PolarHBondContact OE1-NH2 3.11Å; E363-R782 IonicContact OE2-NH1 2.66Å; A778-R782 WeakPolarHBondContact O-CG 3.45Å; A778-R782 PolarHBondContact O-N 3.14Å; Y779-R782 WeakPolarHBondContact O-CB 3.45Å; Y779-R782 PolarHBondContact O-N 3.03Å; R782-T784 VanDerWaalsContact C-N 3.28Å; R782-T784 PolarHBondContact O-N 2.86Å; R782-L785 PolarHBondContact O-N 3.48Å; R782-Y786 HydrophobicContact CB-CD2 4.08Å; R782-Y786 HydrophobicContact CB-CE2 3.83Å; R782-Y786 HydrophobicContact CG-CE2 4.34Å; R782-Y786 WeakPolarHBondContact O-CB 3.44Å; R782-Y786 WeakPolarHBondContact O-CD2 3.32Å; R782-Y786 PolarHBondContact O-N 3.35Å
783	I	95.9	Very high	93.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-45.2	174.3	-73.9	177.3	0	0	0	110.4	L756 Y779 L780 Y786 C787 L825 V829 T832	L756-I783 HydrophobicContact CD2-CD1 3.7Å; Y779-I783 WeakPolarHBondContact O-CG1 3.4Å; Y779-I783 PolarHBondContact O-N 3.13Å; L780-I783 PolarHBondContact O-N 3.49Å; I783-Y786 PolarHBondContact O-N 3.48Å; I783-C787 WeakPolarHBondContact O-CB 3.43Å; I783-C787 PolarHBondContact O-N 3.32Å; I783-C787 PolarHBondContact O-SG 3.4Å; I783-L825 HydrophobicContact CB-CD1 4.41Å; I783-L825 HydrophobicContact CG1-CD1 4.39Å; I783-L825 HydrophobicContact CG2-CD1 4.17Å; I783-V829 HydrophobicContact CD1-CG2 4.17Å; I783-V829 HydrophobicContact CG1-CG2 4.43Å; I783-T832 HydrophobicContact CD1-CG2 4.14Å; I783-T832 VanDerWaalsContact CD1-OG1 3.29Å; I783-T832 WeakPolarHBondContact CD1-OG1 3.45Å
784	T	95.7	Very high	93.6	Very high	83 Å²	83	50.4 Å²	50.4	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-47.1	178.4	-52.4	0	0	0	0	111.3	N757 L780 Q781 R782 H788	N757-T784 PolarHBondContact ND2-OG1 3.35Å; L780-T784 PolarHBondContact O-N 2.86Å; L780-T784 VanDerWaalsContact O-N 3.09Å; L780-T784 PolarHBondContact O-OG1 3.38Å; Q781-T784 WeakPolarHBondContact O-CB 3.34Å; Q781-T784 PolarHBondContact O-N 3.42Å; R782-T784 VanDerWaalsContact C-N 3.28Å; R782-T784 PolarHBondContact O-N 2.86Å; T784-H788 PolarHBondContact O-N 2.94Å; T784-H788 VanDerWaalsContact O-N 3.11Å
785	L	96.3	Very high	93.2	Very high	88 Å²	88	51.6 Å²	51.6	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-49.2	177.2	177.4	64.9	0	0	0	111.9	Q781 R782 H788 Q789	Q781-L785 PolarHBondContact O-N 3.04Å; R782-L785 PolarHBondContact O-N 3.48Å; L785-H788 WeakPolarHBondContact O-CB 3.39Å; L785-H788 PolarHBondContact O-N 2.96Å; L785-H788 VanDerWaalsContact O-N 3.13Å; L785-Q789 PolarHBondContact O-N 2.93Å
786	Y	96.8	Very high	91.7	Very high	47 Å²	47	50.3 Å²	50.3	18%	0.184	25%	0.25	C	C	.	.	H	α-helix	trans	-72.3	-30.4	-177	-64	-46.5	0	0	0	112.8	R782 I783 H788 Q789 L790 N824 S828	R782-Y786 HydrophobicContact CB-CD2 4.08Å; R782-Y786 HydrophobicContact CB-CE2 3.83Å; R782-Y786 HydrophobicContact CG-CE2 4.34Å; R782-Y786 WeakPolarHBondContact O-CB 3.44Å; R782-Y786 WeakPolarHBondContact O-CD2 3.32Å; R782-Y786 PolarHBondContact O-N 3.35Å; I783-Y786 PolarHBondContact O-N 3.48Å; Y786-H788 VanDerWaalsContact C-N 3.3Å; Y786-H788 PolarHBondContact O-N 3.45Å; Y786-Q789 PolarHBondContact O-N 2.95Å; Y786-L790 VanDerWaalsContact O-CB 3.25Å; Y786-L790 WeakPolarHBondContact O-CB 3.48Å; Y786-L790 PolarHBondContact O-N 2.91Å; Y786-N824 HydrophobicContact CD1-CB 3.82Å; Y786-N824 HydrophobicContact CD2-CB 4.2Å; Y786-N824 WeakPolarHBondContact CD2-O 3.39Å; Y786-N824 HydrophobicContact CE1-CB 3.72Å; Y786-N824 HydrophobicContact CE2-CB 4.08Å; Y786-N824 HydrophobicContact CG-CB 4.08Å; Y786-S828 VanDerWaalsContact CD2-OG 3.24Å; Y786-S828 WeakPolarHBondContact CD2-OG 3.44Å; Y786-S828 WeakPolarHBondContact CE2-OG 3.43Å
787	C	96.3	Very high	89.9	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-40.5	167.6	-70.7	0	0	0	0	111.1	I783 L790 N791	I783-C787 WeakPolarHBondContact O-CB 3.43Å; I783-C787 PolarHBondContact O-N 3.32Å; I783-C787 PolarHBondContact O-SG 3.4Å; C787-L790 PolarHBondContact O-N 3.44Å; C787-N791 PolarHBondContact O-N 3.29Å; C787-N791 PolarHBondContact O-ND2 2.89Å
788	H	94.5	Very high	87.9	Confident	116 Å²	116	56.8 Å²	56.8	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-46.3	175.3	-172.5	69.2	0	0	0	112.2	T784 L785 Y786 L790 N791 I792	T784-H788 PolarHBondContact O-N 2.94Å; T784-H788 VanDerWaalsContact O-N 3.11Å; L785-H788 WeakPolarHBondContact O-CB 3.39Å; L785-H788 PolarHBondContact O-N 2.96Å; L785-H788 VanDerWaalsContact O-N 3.13Å; Y786-H788 VanDerWaalsContact C-N 3.3Å; Y786-H788 PolarHBondContact O-N 3.45Å; H788-L790 VanDerWaalsContact C-N 3.31Å; H788-L790 PolarHBondContact O-N 3.02Å; H788-N791 WeakPolarHBondContact O-CB 3.46Å; H788-N791 PolarHBondContact O-N 3.4Å; H788-N791 VanDerWaalsContact O-N 3.14Å; H788-I792 WeakPolarHBondContact O-CG1 3.44Å; H788-I792 PolarHBondContact O-N 3.47Å; H788-I792 VanDerWaalsContact O-N 3.08Å
789	Q	92.8	Very high	85.8	Confident	65 Å²	65	60 Å²	60	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-43.2	175	-71.1	-179.4	6.8	0	0	111.6	L785 Y786 N791 I792 T793	L785-Q789 PolarHBondContact O-N 2.93Å; Y786-Q789 PolarHBondContact O-N 2.95Å; Q789-N791 VanDerWaalsContact C-N 3.32Å; Q789-N791 PolarHBondContact O-N 3.32Å; Q789-I792 WeakPolarHBondContact O-CA 3.42Å; Q789-I792 WeakPolarHBondContact O-CB 3.41Å; Q789-I792 PolarHBondContact O-N 3.12Å; Q789-T793 PolarHBondContact O-N 3.37Å; Q789-T793 PolarHBondContact O-OG1 3.21Å; Q789-T793 VanDerWaalsContact O-OG1 3.13Å
790	L	93.9	Very high	83.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-36.5	176.6	-166.7	71.7	0	0	0	112.4	M726 A746 I749 Y786 C787 H788 I792 T793 S794 L818 A822 L825	M726-L790 HydrophobicContact CE-CD1 3.81Å; M726-L790 HydrophobicContact CE-CD2 4.08Å; M726-L790 HydrophobicContact CE-CG 3.83Å; M726-L790 HydrophobicContact SD-CD2 4.06Å; M726-L790 HydrophobicContact SD-CG 4.47Å; A746-L790 HydrophobicContact CB-CG 4.33Å; I749-L790 HydrophobicContact CB-CD2 4.36Å; I749-L790 HydrophobicContact CD1-CD2 3.59Å; I749-L790 HydrophobicContact CG2-CD2 4Å; Y786-L790 VanDerWaalsContact O-CB 3.25Å; Y786-L790 WeakPolarHBondContact O-CB 3.48Å; Y786-L790 PolarHBondContact O-N 2.91Å; C787-L790 PolarHBondContact O-N 3.44Å; H788-L790 VanDerWaalsContact C-N 3.31Å; H788-L790 PolarHBondContact O-N 3.02Å; L790-I792 VanDerWaalsContact C-N 3.27Å; L790-I792 PolarHBondContact O-N 3.12Å; L790-T793 WeakPolarHBondContact CA-OG1 3.5Å; L790-T793 PolarHBondContact O-OG1 3.09Å; L790-S794 WeakPolarHBondContact O-CB 3.34Å; L790-S794 PolarHBondContact O-N 3.27Å; L790-S794 PolarHBondContact O-OG 3.11Å; L790-L818 HydrophobicContact CD1-CD1 3.94Å; L790-A822 HydrophobicContact CD1-CB 4.17Å; L790-L825 HydrophobicContact CD2-CD2 3.97Å
791	N	92.5	Very high	81.2	Confident	38 Å²	38	67.6 Å²	67.6	20%	0.203	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-26.7	172.2	-76.1	-46.9	0	0	0	113.3	A746 S750 C787 H788 Q789 S794	A746-N791 WeakPolarHBondContact CB-OD1 3.37Å; A746-N791 PolarHBondContact O-OD1 2.94Å; S750-N791 PolarHBondContact OG-ND2 3.21Å; C787-N791 PolarHBondContact O-N 3.29Å; C787-N791 PolarHBondContact O-ND2 2.89Å; H788-N791 WeakPolarHBondContact O-CB 3.46Å; H788-N791 PolarHBondContact O-N 3.4Å; H788-N791 VanDerWaalsContact O-N 3.14Å; Q789-N791 VanDerWaalsContact C-N 3.32Å; Q789-N791 PolarHBondContact O-N 3.32Å; N791-S794 WeakPolarHBondContact CA-OG 3.43Å; N791-S794 PolarHBondContact O-OG 3.41Å; N791-S794 VanDerWaalsContact O-OG 3.1Å
792	I	90.1	Very high	79	Confident	97 Å²	97	67.6 Å²	67.6	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-77.4	-51.7	174.4	-64.7	167.2	0	0	0	109.4	H788 Q789 L790 S794 K795	H788-I792 WeakPolarHBondContact O-CG1 3.44Å; H788-I792 PolarHBondContact O-N 3.47Å; H788-I792 VanDerWaalsContact O-N 3.08Å; Q789-I792 WeakPolarHBondContact O-CA 3.42Å; Q789-I792 WeakPolarHBondContact O-CB 3.41Å; Q789-I792 PolarHBondContact O-N 3.12Å; L790-I792 VanDerWaalsContact C-N 3.27Å; L790-I792 PolarHBondContact O-N 3.12Å; I792-S794 VanDerWaalsContact C-N 3.31Å; I792-S794 PolarHBondContact O-N 2.87Å; I792-K795 WeakPolarHBondContact O-CB 3.42Å; I792-K795 PolarHBondContact O-N 3.45Å; I792-K795 VanDerWaalsContact O-N 3.15Å
793	T	89.2	Confident	76.6	Confident	26 Å²	26	68 Å²	68	16%	0.16	34%	0.344	C	S	.	.	H	α-helix	trans	-69	-26.8	-177.6	54.7	0	0	0	0	113.1	Q789 L790 K795 V796 S821	Q789-T793 PolarHBondContact O-N 3.37Å; Q789-T793 PolarHBondContact O-OG1 3.21Å; Q789-T793 VanDerWaalsContact O-OG1 3.13Å; L790-T793 WeakPolarHBondContact CA-OG1 3.5Å; L790-T793 PolarHBondContact O-OG1 3.09Å; T793-K795 PolarHBondContact O-N 2.94Å; T793-V796 WeakPolarHBondContact O-CG2 3.46Å; T793-S821 WeakPolarHBondContact CG2-OG 3.25Å; T793-S821 PolarHBondContact OG1-OG 3.44Å
794	S	86	Confident	74.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.6	172.7	56.1	0	0	0	0	114.2	I743 A746 L790 N791 I792 V796	I743-S794 WeakPolarHBondContact CG1-O 3.4Å; A746-S794 WeakPolarHBondContact CB-OG 3.29Å; L790-S794 WeakPolarHBondContact O-CB 3.34Å; L790-S794 PolarHBondContact O-N 3.27Å; L790-S794 PolarHBondContact O-OG 3.11Å; N791-S794 WeakPolarHBondContact CA-OG 3.43Å; N791-S794 PolarHBondContact O-OG 3.41Å; N791-S794 VanDerWaalsContact O-OG 3.1Å; I792-S794 VanDerWaalsContact C-N 3.31Å; I792-S794 PolarHBondContact O-N 2.87Å; S794-V796 PolarHBondContact O-N 2.92Å
795	K	81.8	Confident	72.6	Confident	138 Å²	138	74.8 Å²	74.8	60%	0.6	39%	0.391	S	S	*	.	S	Bend	trans	-80.6	44.3	173.2	-62.7	175.4	-175.5	178	0	111.4	I743 I792 T793 K797	I743-K795 HydrophobicContact CD1-CG 4.1Å; I743-K795 HydrophobicContact CG1-CG 4.15Å; I792-K795 WeakPolarHBondContact O-CB 3.42Å; I792-K795 PolarHBondContact O-N 3.45Å; I792-K795 VanDerWaalsContact O-N 3.15Å; T793-K795 PolarHBondContact O-N 2.94Å; K795-K797 PolarHBondContact O-N 2.91Å; K795-K797 VanDerWaalsContact O-N 3.14Å
796	V	59.9	Low	70	Confident	15 Å²	15	77.6 Å²	77.6	9%	0.091	40%	0.401	C	S	.	.			trans	-42.5	121.9	179.7	-166.5	0	0	0	0	108.4	R669 T739 T793 S794	R669-V796 PolarHBondContact NH1-O 3.13Å; R669-V796 PolarHBondContact NH2-O 3.36Å; T739-V796 HydrophobicContact CG2-CB 4.35Å; T793-V796 WeakPolarHBondContact O-CG2 3.46Å; S794-V796 PolarHBondContact O-N 2.92Å
797	K	56.2	Low	67.8	Low	159 Å²	159	80.4 Å²	80.4	69%	0.691	42%	0.419	S	S	*	.			trans	-109.8	120.3	162.4	-79.9	-171.9	176	-174.5	0	106.9	R669 K795 S810	R669-K797 VanDerWaalsContact NH2-C 3.28Å; K795-K797 PolarHBondContact O-N 2.91Å; K795-K797 VanDerWaalsContact O-N 3.14Å; K797-S810 PolarHBondContact O-OG 3.11Å
798	A	52	Low	65.5	Low	25 Å²	25	84.4 Å²	84.4	21%	0.207	44%	0.439	C	S	.	.			trans	-102.3	90.7	176.2	0	0	0	0	0	104.4	L672 V800 S810	L672-A798 HydrophobicContact CD2-CB 3.94Å; A798-V800 PolarHBondContact O-N 3.11Å; A798-S810 WeakPolarHBondContact CA-OG 3.31Å
799	D	50.4	Low	63.6	Low	101 Å²	101	79.5 Å²	79.5	54%	0.54	42%	0.418	S	S	.	.			trans	-77.5	101.5	164	-71.8	-21.8	0	0	0	104.8	Q801 S810	D799-Q801 PolarHBondContact O-N 3.28Å; D799-S810 PolarHBondContact N-OG 2.75Å; D799-S810 WeakPolarHBondContact O-CB 3.35Å; D799-S810 PolarHBondContact O-N 2.92Å; D799-S810 PolarHBondContact O-OG 3.46Å
800	V	45.3	Very low	62.2	Low	67 Å²	67	78.4 Å²	78.4	41%	0.406	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	100.4	168.9	179.3	0	0	0	0	105.6	L672 A798 L807	L672-V800 HydrophobicContact CD1-CG2 4.22Å; L672-V800 HydrophobicContact CD2-CG2 3.98Å; A798-V800 PolarHBondContact O-N 3.11Å; V800-L807 HydrophobicContact CG1-CD2 3.33Å
801	Q	48.7	Very low	61.1	Low	126 Å²	126	78.4 Å²	78.4	59%	0.589	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.3	170.4	-70.2	-176.2	10.4	0	0	107.6	D799 V803 I808	D799-Q801 PolarHBondContact O-N 3.28Å; Q801-V803 HydrophobicContact CB-CG2 4.32Å; Q801-V803 PolarHBondContact O-N 3.42Å; Q801-I808 PolarHBondContact N-O 2.56Å; Q801-I808 PolarHBondContact O-N 2.93Å; Q801-I808 VanDerWaalsContact O-N 3.08Å
802	Q	48.5	Very low	60.4	Low	142 Å²	142	78 Å²	78	66%	0.664	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.8	167	-173	170.6	9	0	0	107.4	G804	Q802-G804 VanDerWaalsContact CG-O 3.24Å; Q802-G804 WeakPolarHBondContact CG-O 3.34Å; Q802-G804 PolarHBondContact NE2-O 2.79Å
803	V	45.7	Very low	60.1	Low	85 Å²	85	80.8 Å²	80.8	52%	0.515	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	92.3	174.2	-176.9	0	0	0	0	106.7	Q801 E806 I808	Q801-V803 HydrophobicContact CB-CG2 4.32Å; Q801-V803 PolarHBondContact O-N 3.42Å; V803-E806 PolarHBondContact N-O 2.88Å; V803-E806 VanDerWaalsContact N-O 3.14Å; V803-I808 HydrophobicContact CB-CD1 4Å; V803-I808 HydrophobicContact CG2-CD1 3.97Å
804	G	56.1	Low	59.8	Low	57 Å²	57	80.7 Å²	80.7	59%	0.588	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-135.7	-172.5	0	0	0	0	0	112.4	Q802 E806	Q802-G804 VanDerWaalsContact CG-O 3.24Å; Q802-G804 WeakPolarHBondContact CG-O 3.34Å; Q802-G804 PolarHBondContact NE2-O 2.79Å; G804-E806 VanDerWaalsContact C-N 3.34Å
805	D	51.3	Low	59.8	Low	169 Å²	169	80.8 Å²	80.8	90%	0.904	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	175.2	-72.3	-21.6	0	0	0	112.9
806	E	41.7	Very low	60.2	Low	147 Å²	147	75.9 Å²	75.9	69%	0.687	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.2	178.1	-72.2	-179.8	176.5	0	0	111.5	V803 G804 I808	V803-E806 PolarHBondContact N-O 2.88Å; V803-E806 VanDerWaalsContact N-O 3.14Å; G804-E806 VanDerWaalsContact C-N 3.34Å; E806-I808 PolarHBondContact O-N 2.89Å
807	L	50.5	Low	61.6	Low	107 Å²	107	77.2 Å²	77.2	56%	0.56	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	99.3	168.3	-76.6	157.8	0	0	0	108.6	V800 A809	V800-L807 HydrophobicContact CG1-CD2 3.33Å; L807-A809 PolarHBondContact O-N 2.99Å
808	I	49.1	Very low	63.3	Low	92 Å²	92	69.8 Å²	69.8	47%	0.472	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102.4	171.2	-55.7	178.5	0	0	0	107.2	Q801 V803 E806	Q801-I808 PolarHBondContact N-O 2.56Å; Q801-I808 PolarHBondContact O-N 2.93Å; Q801-I808 VanDerWaalsContact O-N 3.08Å; V803-I808 HydrophobicContact CB-CD1 4Å; V803-I808 HydrophobicContact CG2-CD1 3.97Å; E806-I808 PolarHBondContact O-N 2.89Å
809	A	54	Low	65.2	Low	13 Å²	13	68.6 Å²	68.6	11%	0.107	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.3	-179.3	0	0	0	0	0	110.4	L676 L807 A811	L676-A809 HydrophobicContact CD2-CB 3.71Å; L807-A809 PolarHBondContact O-N 2.99Å; A809-A811 HydrophobicContact CB-CB 3.91Å; A809-A811 PolarHBondContact O-N 2.95Å
810	S	64.1	Low	67.2	Low	42 Å²	42	66.2 Å²	66.2	29%	0.294	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-0.8	163.2	84.5	0	0	0	0	113.1	K797 A798 D799 S814	K797-S810 PolarHBondContact O-OG 3.11Å; A798-S810 WeakPolarHBondContact CA-OG 3.31Å; D799-S810 PolarHBondContact N-OG 2.75Å; D799-S810 WeakPolarHBondContact O-CB 3.35Å; D799-S810 PolarHBondContact O-N 2.92Å; D799-S810 PolarHBondContact O-OG 3.46Å; S810-S814 PolarHBondContact O-N 3.43Å; S810-S814 PolarHBondContact O-OG 3.33Å
811	A	70	Confident	69.5	Low	1 Å²	1	63.4 Å²	63.4	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-67.7	-35.9	-179	0	0	0	0	0	112.7	M673 L676 A809 S814 A815	M673-A811 HydrophobicContact SD-CB 4.17Å; L676-A811 HydrophobicContact CD1-CB 4.49Å; L676-A811 HydrophobicContact CD2-CB 3.76Å; A809-A811 HydrophobicContact CB-CB 3.91Å; A809-A811 PolarHBondContact O-N 2.95Å; A811-S814 PolarHBondContact O-N 3.07Å; A811-A815 VanDerWaalsContact O-CB 3.23Å; A811-A815 WeakPolarHBondContact O-CB 3.5Å; A811-A815 PolarHBondContact O-N 3.29Å
812	L	78.6	Confident	71.7	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-52	-179.6	175.1	62.3	0	0	0	111.8	E680 K683 I684 S814 A815 T816	E680-L812 HydrophobicContact CB-CB 4.47Å; E680-L812 HydrophobicContact CB-CD1 4.21Å; E680-L812 HydrophobicContact CB-CD2 4.29Å; E680-L812 HydrophobicContact CG-CB 4.45Å; E680-L812 HydrophobicContact CG-CD2 4.05Å; K683-L812 HydrophobicContact CB-CD1 3.95Å; K683-L812 HydrophobicContact CD-CD2 3.82Å; I684-L812 HydrophobicContact CD1-CD1 4.13Å; I684-L812 HydrophobicContact CG1-CD1 3.55Å; L812-S814 VanDerWaalsContact C-N 3.28Å; L812-S814 PolarHBondContact O-N 2.82Å; L812-A815 PolarHBondContact O-N 3.26Å; L812-T816 HydrophobicContact CD1-CG2 3.83Å; L812-T816 HydrophobicContact CG-CG2 4.44Å; L812-T816 WeakPolarHBondContact O-CB 3.38Å; L812-T816 VanDerWaalsContact O-CG2 3.29Å; L812-T816 WeakPolarHBondContact O-CG2 3.24Å; L812-T816 PolarHBondContact O-N 2.97Å; L812-T816 PolarHBondContact O-OG1 3.25Å
813	E	82.8	Confident	73.8	Confident	155 Å²	155	51.1 Å²	51.1	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-38.2	179	-170.3	176.1	-171	0	0	111.4	T816 S817	E813-T816 WeakPolarHBondContact CA-OG1 3.44Å; E813-T816 PolarHBondContact O-OG1 3.32Å; E813-T816 VanDerWaalsContact O-OG1 3.07Å; E813-S817 VanDerWaalsContact O-CB 3.22Å; E813-S817 WeakPolarHBondContact O-CB 3.38Å; E813-S817 PolarHBondContact O-N 3.09Å; E813-S817 PolarHBondContact O-OG 3.3Å
814	S	83.6	Confident	76.1	Confident	23 Å²	23	48.9 Å²	48.9	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-41.6	176.4	-55.8	0	0	0	0	112.5	S810 A811 L812 S817 L818	S810-S814 PolarHBondContact O-N 3.43Å; S810-S814 PolarHBondContact O-OG 3.33Å; A811-S814 PolarHBondContact O-N 3.07Å; L812-S814 VanDerWaalsContact C-N 3.28Å; L812-S814 PolarHBondContact O-N 2.82Å; S814-S817 WeakPolarHBondContact CA-OG 3.46Å; S814-S817 PolarHBondContact O-OG 2.88Å; S814-L818 WeakPolarHBondContact O-CB 3.44Å; S814-L818 PolarHBondContact O-N 2.74Å; S814-L818 VanDerWaalsContact O-N 3.11Å
815	A	86.3	Confident	78.1	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-49.1	177.7	0	0	0	0	0	111.6	M673 I684 T730 A811 L812 S817 L818 I819	M673-A815 HydrophobicContact CE-CB 3.77Å; I684-A815 HydrophobicContact CD1-CB 3.8Å; I684-A815 HydrophobicContact CG1-CB 4.1Å; T730-A815 HydrophobicContact CG2-CB 3.87Å; A811-A815 VanDerWaalsContact O-CB 3.23Å; A811-A815 WeakPolarHBondContact O-CB 3.5Å; A811-A815 PolarHBondContact O-N 3.29Å; L812-A815 PolarHBondContact O-N 3.26Å; A815-S817 PolarHBondContact O-N 2.84Å; A815-L818 WeakPolarHBondContact O-CB 3.03Å; A815-L818 PolarHBondContact O-N 3.43Å; A815-I819 WeakPolarHBondContact O-CD1 3.39Å; A815-I819 VanDerWaalsContact O-CG1 3.28Å; A815-I819 WeakPolarHBondContact O-CG1 3.12Å; A815-I819 PolarHBondContact O-N 3.5Å
816	T	89.2	Confident	80.2	Confident	35 Å²	35	38.1 Å²	38.1	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-41.6	179.1	51.6	0	0	0	0	112	I684 Q687 L812 E813 L818 I819 Q820	I684-T816 HydrophobicContact CG1-CG2 4.5Å; Q687-T816 HydrophobicContact CG-CG2 4Å; L812-T816 HydrophobicContact CD1-CG2 3.83Å; L812-T816 HydrophobicContact CG-CG2 4.44Å; L812-T816 WeakPolarHBondContact O-CB 3.38Å; L812-T816 VanDerWaalsContact O-CG2 3.29Å; L812-T816 WeakPolarHBondContact O-CG2 3.24Å; L812-T816 PolarHBondContact O-N 2.97Å; L812-T816 PolarHBondContact O-OG1 3.25Å; E813-T816 WeakPolarHBondContact CA-OG1 3.44Å; E813-T816 PolarHBondContact O-OG1 3.32Å; E813-T816 VanDerWaalsContact O-OG1 3.07Å; T816-L818 PolarHBondContact O-N 3.07Å; T816-I819 PolarHBondContact O-N 3.42Å; T816-Q820 WeakPolarHBondContact O-CB 3.48Å; T816-Q820 PolarHBondContact O-N 3.43Å
817	S	90.1	Very high	82.6	Confident	43 Å²	43	32.9 Å²	32.9	30%	0.301	18%	0.18	S	C	.	.	H	α-helix	trans	-65.7	-35.5	174.8	59.9	0	0	0	0	113.1	E813 S814 A815 S821	E813-S817 VanDerWaalsContact O-CB 3.22Å; E813-S817 WeakPolarHBondContact O-CB 3.38Å; E813-S817 PolarHBondContact O-N 3.09Å; E813-S817 PolarHBondContact O-OG 3.3Å; S814-S817 WeakPolarHBondContact CA-OG 3.46Å; S814-S817 PolarHBondContact O-OG 2.88Å; A815-S817 PolarHBondContact O-N 2.84Å; S817-S821 WeakPolarHBondContact O-CB 3.34Å; S817-S821 PolarHBondContact O-N 3.38Å; S817-S821 PolarHBondContact O-OG 3.33Å
818	L	92.3	Very high	84.7	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-48.8	172.8	-173.4	65.8	0	0	0	111.4	M726 T730 V742 L790 S814 A815 T816 S821 A822	M726-L818 HydrophobicContact CE-CD1 3.66Å; M726-L818 HydrophobicContact CE-CG 4.43Å; T730-L818 HydrophobicContact CG2-CD2 3.86Å; V742-L818 HydrophobicContact CG1-CD2 3.99Å; L790-L818 HydrophobicContact CD1-CD1 3.94Å; S814-L818 WeakPolarHBondContact O-CB 3.44Å; S814-L818 PolarHBondContact O-N 2.74Å; S814-L818 VanDerWaalsContact O-N 3.11Å; A815-L818 WeakPolarHBondContact O-CB 3.03Å; A815-L818 PolarHBondContact O-N 3.43Å; T816-L818 PolarHBondContact O-N 3.07Å; L818-S821 PolarHBondContact O-N 3.35Å; L818-A822 WeakPolarHBondContact O-CB 3.41Å; L818-A822 PolarHBondContact O-N 2.88Å
819	I	91.1	Very high	86.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-45.6	177.9	-64.8	155.8	0	0	0	110.5	I684 Q687 I688 F691 T727 T730 A815 T816 S821 A822 K823	I684-I819 HydrophobicContact CG2-CD1 3.88Å; Q687-I819 HydrophobicContact CB-CB 4.43Å; Q687-I819 HydrophobicContact CB-CD1 4.19Å; Q687-I819 HydrophobicContact CB-CG2 3.94Å; I688-I819 HydrophobicContact CD1-CD1 4.05Å; I688-I819 HydrophobicContact CG1-CD1 3.62Å; I688-I819 HydrophobicContact CG1-CG1 4.08Å; I688-I819 HydrophobicContact CG1-CG2 4.32Å; F691-I819 HydrophobicContact CB-CG2 3.99Å; T727-I819 HydrophobicContact CG2-CB 4.4Å; T727-I819 HydrophobicContact CG2-CG1 4.01Å; T727-I819 HydrophobicContact CG2-CG2 4.25Å; T730-I819 HydrophobicContact CG2-CD1 4.27Å; T730-I819 HydrophobicContact CG2-CG1 4.13Å; A815-I819 WeakPolarHBondContact O-CD1 3.39Å; A815-I819 VanDerWaalsContact O-CG1 3.28Å; A815-I819 WeakPolarHBondContact O-CG1 3.12Å; A815-I819 PolarHBondContact O-N 3.5Å; T816-I819 PolarHBondContact O-N 3.42Å; I819-S821 PolarHBondContact O-N 3.06Å; I819-A822 PolarHBondContact O-N 3.14Å; I819-K823 WeakPolarHBondContact O-CB 3.49Å; I819-K823 PolarHBondContact O-N 2.9Å
820	Q	91.9	Very high	88.7	Confident	51 Å²	51	23.2 Å²	23.2	24%	0.238	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-40.4	178.7	-174.6	68.5	-8.1	0	0	111.9	T816 K823 N824	T816-Q820 WeakPolarHBondContact O-CB 3.48Å; T816-Q820 PolarHBondContact O-N 3.43Å; Q820-K823 WeakPolarHBondContact O-CB 3.36Å; Q820-K823 PolarHBondContact O-N 3.15Å; Q820-N824 WeakPolarHBondContact O-CB 3.21Å; Q820-N824 PolarHBondContact O-N 3.47Å; Q820-N824 PolarHBondContact O-ND2 2.97Å
821	S	93.8	Very high	90	Very high	8 Å²	8	22.3 Å²	22.3	6%	0.056	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-44.4	175.2	-59.8	0	0	0	0	111.4	T793 S817 L818 I819 N824 L825	T793-S821 WeakPolarHBondContact CG2-OG 3.25Å; T793-S821 PolarHBondContact OG1-OG 3.44Å; S817-S821 WeakPolarHBondContact O-CB 3.34Å; S817-S821 PolarHBondContact O-N 3.38Å; S817-S821 PolarHBondContact O-OG 3.33Å; L818-S821 PolarHBondContact O-N 3.35Å; I819-S821 PolarHBondContact O-N 3.06Å; S821-N824 PolarHBondContact O-N 2.79Å; S821-L825 WeakPolarHBondContact O-CB 3.33Å; S821-L825 PolarHBondContact O-N 2.84Å
822	A	94.9	Very high	91.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-42.7	175.8	0	0	0	0	0	111.6	F691 M723 T727 L790 L818 I819 L825 L826	F691-A822 HydrophobicContact CD2-CB 4.37Å; F691-A822 HydrophobicContact CE2-CB 3.9Å; M723-A822 HydrophobicContact CB-CB 4.22Å; M723-A822 HydrophobicContact CG-CB 4.17Å; M723-A822 HydrophobicContact SD-CB 4.32Å; T727-A822 HydrophobicContact CG2-CB 4.38Å; L790-A822 HydrophobicContact CD1-CB 4.17Å; L818-A822 WeakPolarHBondContact O-CB 3.41Å; L818-A822 PolarHBondContact O-N 2.88Å; I819-A822 PolarHBondContact O-N 3.14Å; A822-L825 PolarHBondContact O-N 3.02Å; A822-L826 WeakPolarHBondContact O-CB 3.49Å; A822-L826 PolarHBondContact O-N 3.33Å
823	K	93.7	Very high	91.8	Very high	10 Å²	10	20.8 Å²	20.8	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-51.6	175.2	-174.2	-177.3	96.3	-169	0	111.8	E366 V690 F691 V694 I819 Q820 L825 L826 N827	E366-K823 IonicContact OE1-NZ 3.73Å; E366-K823 PolarHBondContact OE1-NZ 3.05Å; V690-K823 HydrophobicContact CG1-CD 3.86Å; F691-K823 HydrophobicContact CD2-CB 3.96Å; V694-K823 HydrophobicContact CB-CG 4.41Å; V694-K823 HydrophobicContact CG2-CD 4.33Å; V694-K823 HydrophobicContact CG2-CG 3.8Å; I819-K823 WeakPolarHBondContact O-CB 3.49Å; I819-K823 PolarHBondContact O-N 2.9Å; Q820-K823 WeakPolarHBondContact O-CB 3.36Å; Q820-K823 PolarHBondContact O-N 3.15Å; K823-L825 VanDerWaalsContact C-N 3.33Å; K823-L825 PolarHBondContact O-N 3.35Å; K823-L826 PolarHBondContact O-N 3.27Å; K823-N827 WeakPolarHBondContact O-CB 3.45Å; K823-N827 PolarHBondContact O-N 3.45Å
824	N	94.2	Very high	92.1	Very high	39 Å²	39	16 Å²	16	21%	0.209	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-40.2	-178.2	-69.3	-17.1	0	0	0	112	Y786 Q820 S821 S828	Y786-N824 HydrophobicContact CD1-CB 3.82Å; Y786-N824 HydrophobicContact CD2-CB 4.2Å; Y786-N824 WeakPolarHBondContact CD2-O 3.39Å; Y786-N824 HydrophobicContact CE1-CB 3.72Å; Y786-N824 HydrophobicContact CE2-CB 4.08Å; Y786-N824 HydrophobicContact CG-CB 4.08Å; Q820-N824 WeakPolarHBondContact O-CB 3.21Å; Q820-N824 PolarHBondContact O-N 3.47Å; Q820-N824 PolarHBondContact O-ND2 2.97Å; S821-N824 PolarHBondContact O-N 2.79Å; N824-S828 PolarHBondContact O-N 3.19Å; N824-S828 VanDerWaalsContact O-N 3.13Å; N824-S828 PolarHBondContact O-OG 2.99Å
825	L	96.6	Very high	92.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-49.6	174.1	-178.7	57.4	0	0	0	111.2	M719 M723 I749 I783 L790 S821 A822 K823 N827 S828 V829	M719-L825 HydrophobicContact CE-CD1 4.15Å; M719-L825 HydrophobicContact CE-CD2 4.18Å; M719-L825 HydrophobicContact CE-CG 4.31Å; M723-L825 HydrophobicContact CE-CB 4.26Å; M723-L825 HydrophobicContact CE-CD2 3.61Å; M723-L825 HydrophobicContact CE-CG 3.61Å; M723-L825 HydrophobicContact SD-CB 4.07Å; M723-L825 HydrophobicContact SD-CD2 4.04Å; M723-L825 HydrophobicContact SD-CG 4.06Å; I749-L825 HydrophobicContact CG2-CD2 3.41Å; I749-L825 VanDerWaalsContact CG2-CD2 3.41Å; I783-L825 HydrophobicContact CB-CD1 4.41Å; I783-L825 HydrophobicContact CG1-CD1 4.39Å; I783-L825 HydrophobicContact CG2-CD1 4.17Å; L790-L825 HydrophobicContact CD2-CD2 3.97Å; S821-L825 WeakPolarHBondContact O-CB 3.33Å; S821-L825 PolarHBondContact O-N 2.84Å; A822-L825 PolarHBondContact O-N 3.02Å; K823-L825 VanDerWaalsContact C-N 3.33Å; K823-L825 PolarHBondContact O-N 3.35Å; L825-N827 VanDerWaalsContact C-N 3.33Å; L825-N827 PolarHBondContact O-N 3.04Å; L825-S828 WeakPolarHBondContact O-CB 3.41Å; L825-S828 PolarHBondContact O-N 3.47Å; L825-S828 VanDerWaalsContact O-N 3.11Å; L825-V829 HydrophobicContact CD1-CG2 4.42Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.41Å
826	L	95.4	Very high	92.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-43.7	-179.5	-172.6	56.3	0	0	0	111.6	F691 V694 Q695 F698 C720 M723 A822 K823 S828 V829 V830	F691-L826 HydrophobicContact CE2-CB 4.41Å; F691-L826 HydrophobicContact CE2-CD2 3.81Å; F691-L826 HydrophobicContact CZ-CD2 3.85Å; V694-L826 HydrophobicContact CG1-CB 4.11Å; V694-L826 HydrophobicContact CG1-CD2 4.23Å; V694-L826 HydrophobicContact CG1-CG 4Å; Q695-L826 HydrophobicContact CB-CD2 4.09Å; F698-L826 HydrophobicContact CB-CD1 4.09Å; F698-L826 HydrophobicContact CB-CG 4.4Å; F698-L826 HydrophobicContact CD1-CD1 4.43Å; F698-L826 HydrophobicContact CD2-CD1 4Å; F698-L826 HydrophobicContact CG-CD1 3.89Å; C720-L826 HydrophobicContact CB-CD1 3.84Å; M723-L826 HydrophobicContact CE-CB 4.46Å; M723-L826 HydrophobicContact CE-CD1 4.46Å; M723-L826 HydrophobicContact SD-CB 3.83Å; A822-L826 WeakPolarHBondContact O-CB 3.49Å; A822-L826 PolarHBondContact O-N 3.33Å; K823-L826 PolarHBondContact O-N 3.27Å; L826-S828 VanDerWaalsContact C-N 3.29Å; L826-S828 PolarHBondContact O-N 3.05Å; L826-V829 WeakPolarHBondContact O-CB 3.4Å; L826-V829 PolarHBondContact O-N 3.48Å; L826-V829 VanDerWaalsContact O-N 3.11Å; L826-V830 WeakPolarHBondContact O-CG2 3.37Å; L826-V830 PolarHBondContact O-N 2.74Å
827	N	92.9	Very high	92.6	Very high	36 Å²	36	16.9 Å²	16.9	19%	0.193	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-42.5	175.4	-169.1	44.2	0	0	0	111.7	V694 K823 L825 V829 V830 L831	V694-N827 HydrophobicContact CG1-CB 3.86Å; K823-N827 WeakPolarHBondContact O-CB 3.45Å; K823-N827 PolarHBondContact O-N 3.45Å; L825-N827 VanDerWaalsContact C-N 3.33Å; L825-N827 PolarHBondContact O-N 3.04Å; N827-V829 VanDerWaalsContact C-N 3.33Å; N827-V829 PolarHBondContact O-N 2.87Å; N827-V830 WeakPolarHBondContact O-CB 3.16Å; N827-V830 PolarHBondContact O-N 3.11Å; N827-L831 WeakPolarHBondContact O-CG 3.45Å; N827-L831 PolarHBondContact O-N 2.76Å
828	S	94.3	Very high	92.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-35.2	176.5	-57.3	0	0	0	0	112.6	Y786 N824 L825 L826 T832	Y786-S828 VanDerWaalsContact CD2-OG 3.24Å; Y786-S828 WeakPolarHBondContact CD2-OG 3.44Å; Y786-S828 WeakPolarHBondContact CE2-OG 3.43Å; N824-S828 PolarHBondContact O-N 3.19Å; N824-S828 VanDerWaalsContact O-N 3.13Å; N824-S828 PolarHBondContact O-OG 2.99Å; L825-S828 WeakPolarHBondContact O-CB 3.41Å; L825-S828 PolarHBondContact O-N 3.47Å; L825-S828 VanDerWaalsContact O-N 3.11Å; L826-S828 VanDerWaalsContact C-N 3.29Å; L826-S828 PolarHBondContact O-N 3.05Å; S828-T832 WeakPolarHBondContact O-CB 3.43Å; S828-T832 PolarHBondContact O-N 3.44Å; S828-T832 PolarHBondContact O-OG1 3.28Å
829	V	95.2	Very high	92.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-44.8	173.5	171.7	0	0	0	0	110.8	F698 A716 M719 L756 I783 L825 L826 N827 L831 T832 V833	F698-V829 HydrophobicContact CD2-CG1 4.43Å; F698-V829 HydrophobicContact CE2-CG1 4.1Å; A716-V829 HydrophobicContact CB-CG1 3.58Å; M719-V829 HydrophobicContact CE-CG2 3.78Å; M719-V829 HydrophobicContact SD-CG2 4.16Å; L756-V829 HydrophobicContact CD1-CG1 4.36Å; I783-V829 HydrophobicContact CD1-CG2 4.17Å; I783-V829 HydrophobicContact CG1-CG2 4.43Å; L825-V829 HydrophobicContact CD1-CG2 4.42Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.41Å; L826-V829 WeakPolarHBondContact O-CB 3.4Å; L826-V829 PolarHBondContact O-N 3.48Å; L826-V829 VanDerWaalsContact O-N 3.11Å; N827-V829 VanDerWaalsContact C-N 3.33Å; N827-V829 PolarHBondContact O-N 2.87Å; V829-L831 PolarHBondContact O-N 2.9Å; V829-T832 PolarHBondContact O-N 3.46Å; V829-V833 WeakPolarHBondContact O-CG2 3.1Å; V829-V833 PolarHBondContact O-N 2.95Å
830	V	91.6	Very high	91.8	Very high	6 Å²	6	19 Å²	19	4%	0.036	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-50.6	175.5	176.5	0	0	0	0	111.2	F698 L826 N827 T832 V833 K834	F698-V830 HydrophobicContact CB-CG2 3.46Å; F698-V830 VanDerWaalsContact CB-CG2 3.46Å; F698-V830 HydrophobicContact CD2-CG2 3.85Å; F698-V830 HydrophobicContact CG-CG2 4.16Å; L826-V830 WeakPolarHBondContact O-CG2 3.37Å; L826-V830 PolarHBondContact O-N 2.74Å; N827-V830 WeakPolarHBondContact O-CB 3.16Å; N827-V830 PolarHBondContact O-N 3.11Å; V830-T832 VanDerWaalsContact C-N 3.3Å; V830-T832 PolarHBondContact O-N 3.25Å; V830-V833 PolarHBondContact O-N 3.33Å; V830-K834 PolarHBondContact O-N 3.29Å; V830-K834 VanDerWaalsContact O-N 3.09Å
831	L	92.3	Very high	91.3	Very high	23 Å²	23	19.5 Å²	19.5	12%	0.12	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-38.2	179.5	-68.5	172	0	0	0	111.9	Y779 N827 V829 K834 S835	Y779-L831 HydrophobicContact CD1-CB 4.27Å; Y779-L831 HydrophobicContact CD1-CD1 4.23Å; Y779-L831 HydrophobicContact CD2-CB 3.72Å; Y779-L831 HydrophobicContact CE1-CB 4.25Å; Y779-L831 HydrophobicContact CE1-CD1 3.81Å; Y779-L831 HydrophobicContact CE2-CB 3.68Å; Y779-L831 HydrophobicContact CG-CB 4.04Å; N827-L831 WeakPolarHBondContact O-CG 3.45Å; N827-L831 PolarHBondContact O-N 2.76Å; V829-L831 PolarHBondContact O-N 2.9Å; L831-K834 PolarHBondContact O-N 2.94Å; L831-S835 WeakPolarHBondContact O-CB 3.24Å; L831-S835 PolarHBondContact O-N 2.87Å; L831-S835 PolarHBondContact O-OG 2.88Å
832	T	94.2	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-44	177	-60	0	0	0	0	112	L756 A760 L776 Y779 L780 I783 S828 V829 V830 K834 S835 A836	L756-T832 HydrophobicContact CD2-CG2 3.65Å; A760-T832 HydrophobicContact CB-CG2 4.05Å; L776-T832 HydrophobicContact CD1-CG2 3.87Å; Y779-T832 WeakPolarHBondContact CB-OG1 3.37Å; L780-T832 HydrophobicContact CD2-CG2 3.55Å; I783-T832 HydrophobicContact CD1-CG2 4.14Å; I783-T832 VanDerWaalsContact CD1-OG1 3.29Å; I783-T832 WeakPolarHBondContact CD1-OG1 3.45Å; S828-T832 WeakPolarHBondContact O-CB 3.43Å; S828-T832 PolarHBondContact O-N 3.44Å; S828-T832 PolarHBondContact O-OG1 3.28Å; V829-T832 PolarHBondContact O-N 3.46Å; V830-T832 VanDerWaalsContact C-N 3.3Å; V830-T832 PolarHBondContact O-N 3.25Å; T832-K834 PolarHBondContact O-N 3.28Å; T832-S835 PolarHBondContact O-N 3.22Å; T832-A836 WeakPolarHBondContact O-CB 3.39Å; T832-A836 PolarHBondContact O-N 3.1Å
833	V	92	Very high	89.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-47.2	176	173.4	0	0	0	0	110.5	E701 I712 A716 V829 V830 Y837 W856	E701-V833 HydrophobicContact CG-CG1 4.14Å; I712-V833 HydrophobicContact CG2-CG2 4.1Å; A716-V833 HydrophobicContact CB-CG2 3.86Å; V829-V833 WeakPolarHBondContact O-CG2 3.1Å; V829-V833 PolarHBondContact O-N 2.95Å; V830-V833 PolarHBondContact O-N 3.33Å; V833-Y837 PolarHBondContact O-N 2.96Å; V833-Y837 VanDerWaalsContact O-N 3.1Å; V833-W856 HydrophobicContact CG1-CH2 4.22Å; V833-W856 HydrophobicContact CG1-CZ3 4.36Å
834	K	89.1	Confident	89	Confident	53 Å²	53	32.3 Å²	32.3	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-52	176.5	-74.9	-174.9	174	-171.2	0	112.1	E296 E701 V830 L831 T832 Y837 I838	E296-K834 IonicContact OE1-NZ 3.17Å; E296-K834 PolarHBondContact OE1-NZ 2.82Å; E701-K834 HydrophobicContact CG-CG 3.75Å; E701-K834 WeakPolarHBondContact OE2-CE 3.39Å; V830-K834 PolarHBondContact O-N 3.29Å; V830-K834 VanDerWaalsContact O-N 3.09Å; L831-K834 PolarHBondContact O-N 2.94Å; T832-K834 PolarHBondContact O-N 3.28Å; K834-Y837 WeakPolarHBondContact O-CB 3.5Å; K834-Y837 PolarHBondContact O-N 3.24Å; K834-I838 WeakPolarHBondContact O-CG1 3.5Å; K834-I838 PolarHBondContact O-N 2.97Å
835	S	89.8	Confident	87.9	Confident	12 Å²	12	32.4 Å²	32.4	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-69.2	-35	-176.9	-70.5	0	0	0	0	112.8	Y779 L831 T832 Y837 I838 A839	Y779-S835 WeakPolarHBondContact CE2-OG 3.32Å; L831-S835 WeakPolarHBondContact O-CB 3.24Å; L831-S835 PolarHBondContact O-N 2.87Å; L831-S835 PolarHBondContact O-OG 2.88Å; T832-S835 PolarHBondContact O-N 3.22Å; S835-Y837 VanDerWaalsContact C-N 3.34Å; S835-I838 PolarHBondContact O-N 2.99Å; S835-A839 WeakPolarHBondContact O-CB 3.41Å; S835-A839 PolarHBondContact O-N 3.42Å
836	A	91.1	Very high	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-40.7	173.9	0	0	0	0	0	111.6	I712 I763 L776 T832 S840 W856	I712-A836 HydrophobicContact CD1-CB 4.13Å; I763-A836 HydrophobicContact CD1-CB 3.95Å; L776-A836 HydrophobicContact CD1-CB 4.28Å; T832-A836 WeakPolarHBondContact O-CB 3.39Å; T832-A836 PolarHBondContact O-N 3.1Å; A836-S840 WeakPolarHBondContact O-CB 3.46Å; A836-S840 PolarHBondContact O-N 3.02Å; A836-S840 PolarHBondContact O-OG 2.82Å; A836-W856 HydrophobicContact CB-CZ2 4.04Å
837	Y	87.6	Confident	84.7	Confident	69 Å²	69	50.5 Å²	50.5	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-50.3	171.8	165.4	-106.1	0	0	0	111.9	W705 V833 K834 S835 A839 S840 T841 W856	W705-Y837 AromaticContact CH2-CD1 3.75Å; W705-Y837 HydrophobicContact CH2-CD1 3.75Å; W705-Y837 AromaticContact CH2-CD2 3.23Å; W705-Y837 HydrophobicContact CH2-CD2 3.23Å; W705-Y837 AromaticContact CH2-CE1 3.71Å; W705-Y837 HydrophobicContact CH2-CE1 3.71Å; W705-Y837 AromaticContact CH2-CE2 3.16Å; W705-Y837 HydrophobicContact CH2-CE2 3.16Å; W705-Y837 AromaticContact CH2-CG 3.52Å; W705-Y837 HydrophobicContact CH2-CG 3.52Å; W705-Y837 AromaticContact CH2-CZ 3.42Å; W705-Y837 VanDerWaalsContact CH2-CZ 3.42Å; W705-Y837 AromaticContact CZ2-CD1 3.83Å; W705-Y837 HydrophobicContact CZ2-CD1 3.83Å; W705-Y837 AromaticContact CZ2-CD2 3.78Å; W705-Y837 HydrophobicContact CZ2-CD2 3.78Å; W705-Y837 HydrophobicContact CZ2-CE1 4.18Å; W705-Y837 HydrophobicContact CZ2-CE2 4.12Å; W705-Y837 AromaticContact CZ2-CG 3.61Å; W705-Y837 HydrophobicContact CZ2-CG 3.61Å; W705-Y837 AromaticContact CZ3-CD2 3.65Å; W705-Y837 HydrophobicContact CZ3-CD2 3.65Å; W705-Y837 AromaticContact CZ3-CE2 3.51Å; W705-Y837 HydrophobicContact CZ3-CE2 3.51Å; W705-Y837 HydrophobicContact CZ3-CG 4.34Å; V833-Y837 PolarHBondContact O-N 2.96Å; V833-Y837 VanDerWaalsContact O-N 3.1Å; K834-Y837 WeakPolarHBondContact O-CB 3.5Å; K834-Y837 PolarHBondContact O-N 3.24Å; S835-Y837 VanDerWaalsContact C-N 3.34Å; Y837-A839 PolarHBondContact O-N 2.84Å; Y837-S840 PolarHBondContact O-N 3.19Å; Y837-S840 PolarHBondContact O-OG 2.82Å; Y837-T841 HydrophobicContact CD2-CG2 3.79Å; Y837-T841 HydrophobicContact CE2-CG2 3.43Å; Y837-T841 VanDerWaalsContact CE2-CG2 3.43Å; Y837-T841 WeakPolarHBondContact O-CB 3.39Å; Y837-T841 PolarHBondContact O-N 2.98Å; Y837-T841 PolarHBondContact O-OG1 2.84Å; Y837-W856 HydrophobicContact CD2-CB 4.01Å; Y837-W856 AromaticContact CD2-CD2 3.78Å; Y837-W856 HydrophobicContact CD2-CD2 3.78Å; Y837-W856 AromaticContact CD2-CE3 3.86Å; Y837-W856 HydrophobicContact CD2-CE3 3.86Å; Y837-W856 AromaticContact CD2-CG 3.84Å; Y837-W856 HydrophobicContact CD2-CG 3.84Å; Y837-W856 HydrophobicContact CE2-CB 4.29Å; Y837-W856 HydrophobicContact CG-CD2 4.42Å; Y837-W856 HydrophobicContact CG-CE3 4.32Å
838	I	87	Confident	83	Confident	51 Å²	51	49.2 Å²	49.2	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-43.4	-178.4	-63.5	167.5	0	0	0	110.8	T772 K834 S835 T841 K842 Y843	T772-I838 HydrophobicContact CG2-CB 3.9Å; T772-I838 HydrophobicContact CG2-CG2 3.75Å; K834-I838 WeakPolarHBondContact O-CG1 3.5Å; K834-I838 PolarHBondContact O-N 2.97Å; S835-I838 PolarHBondContact O-N 2.99Å; I838-T841 PolarHBondContact O-N 3.4Å; I838-K842 HydrophobicContact CG2-CB 4.41Å; I838-K842 HydrophobicContact CG2-CD 4.09Å; I838-K842 HydrophobicContact CG2-CG 4.36Å; I838-K842 WeakPolarHBondContact O-CB 3.41Å; I838-K842 PolarHBondContact O-N 3.31Å; I838-Y843 HydrophobicContact CG2-CD2 4.41Å; I838-Y843 HydrophobicContact CG2-CE2 4.02Å
839	A	86.9	Confident	81	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-47.6	179	0	0	0	0	0	112	I763 C767 T772 L776 S835 Y837 T841 Y843	I763-A839 HydrophobicContact CG2-CB 3.86Å; C767-A839 HydrophobicContact CB-CB 4.28Å; T772-A839 HydrophobicContact CG2-CB 4.23Å; L776-A839 HydrophobicContact CD2-CB 4.18Å; S835-A839 WeakPolarHBondContact O-CB 3.41Å; S835-A839 PolarHBondContact O-N 3.42Å; Y837-A839 PolarHBondContact O-N 2.84Å; A839-T841 PolarHBondContact O-N 3.4Å; A839-Y843 CarbonylContact O-C 3.32Å; A839-Y843 PolarHBondContact O-N 2.98Å
840	S	84	Confident	79	Confident	36 Å²	36	66.2 Å²	66.2	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-30.5	-179.2	56.2	0	0	0	0	113.9	A836 Y837 W856	A836-S840 WeakPolarHBondContact O-CB 3.46Å; A836-S840 PolarHBondContact O-N 3.02Å; A836-S840 PolarHBondContact O-OG 2.82Å; Y837-S840 PolarHBondContact O-N 3.19Å; Y837-S840 PolarHBondContact O-OG 2.82Å; S840-W856 PolarHBondContact OG-NE1 3.11Å
841	T	81.2	Confident	77.3	Confident	62 Å²	62	69 Å²	69	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-96.5	-41.5	-175.9	55.8	0	0	0	0	114.4	Y837 I838 A839	Y837-T841 HydrophobicContact CD2-CG2 3.79Å; Y837-T841 HydrophobicContact CE2-CG2 3.43Å; Y837-T841 VanDerWaalsContact CE2-CG2 3.43Å; Y837-T841 WeakPolarHBondContact O-CB 3.39Å; Y837-T841 PolarHBondContact O-N 2.98Å; Y837-T841 PolarHBondContact O-OG1 2.84Å; I838-T841 PolarHBondContact O-N 3.4Å; A839-T841 PolarHBondContact O-N 3.4Å
842	K	79.3	Confident	75.6	Confident	146 Å²	146	71.9 Å²	71.9	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-93	-27.7	-176.1	-65.7	-165	-177.4	178.2	0	113.9	I838	I838-K842 HydrophobicContact CG2-CB 4.41Å; I838-K842 HydrophobicContact CG2-CD 4.09Å; I838-K842 HydrophobicContact CG2-CG 4.36Å; I838-K842 WeakPolarHBondContact O-CB 3.41Å; I838-K842 PolarHBondContact O-N 3.31Å
843	Y	80	Confident	74	Confident	92 Å²	92	76.9 Å²	76.9	36%	0.361	38%	0.382	S	S	.	.	S	Bend	trans	-125.1	38.7	-173.8	-54.7	-72.7	0	0	0	114.4	C767 V768 I838 A839 S845	C767-Y843 WeakPolarHBondContact CA-O 3.35Å; C767-Y843 WeakPolarHBondContact SG-CB 3.42Å; V768-Y843 PolarHBondContact N-O 3.31Å; I838-Y843 HydrophobicContact CG2-CD2 4.41Å; I838-Y843 HydrophobicContact CG2-CE2 4.02Å; A839-Y843 CarbonylContact O-C 3.32Å; A839-Y843 PolarHBondContact O-N 2.98Å; Y843-S845 PolarHBondContact O-N 3Å
844	P	75	Confident	73	Confident	49 Å²	49	77.5 Å²	77.5	32%	0.318	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-67.4	134.8	-179.7	29.6	-34.7	0	0	0	111.3	A848	P844-A848 HydrophobicContact CB-CB 4.33Å
845	S	71.3	Confident	72.5	Confident	42 Å²	42	77.7 Å²	77.7	29%	0.294	39%	0.391	S	S	.	.			trans	-65.2	156.1	168	178.6	0	0	0	0	111.2	E766 Y843 K847 A848	E766-S845 WeakPolarHBondContact O-CA 3.31Å; E766-S845 WeakPolarHBondContact O-CB 3.16Å; E766-S845 PolarHBondContact O-N 3.2Å; Y843-S845 PolarHBondContact O-N 3Å; S845-K847 PolarHBondContact O-N 3.45Å; S845-K847 VanDerWaalsContact O-N 3.11Å; S845-A848 WeakPolarHBondContact O-CB 3.49Å; S845-A848 PolarHBondContact O-N 3.32Å
846	K	64.3	Low	72.1	Confident	201 Å²	201	79 Å²	79	87%	0.874	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.7	176.7	-72.3	-176.4	178.7	179.2	0	112.9
847	K	59.3	Low	71.4	Confident	178 Å²	178	84.2 Å²	84.2	77%	0.774	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.4	176.7	-72.3	-175	177.2	-177.8	0	113.8	S845 K849	S845-K847 PolarHBondContact O-N 3.45Å; S845-K847 VanDerWaalsContact O-N 3.11Å; K847-K849 VanDerWaalsContact C-N 3.33Å; K847-K849 PolarHBondContact O-N 2.99Å
848	A	56.5	Low	70.9	Confident	9 Å²	9	88.1 Å²	88.1	7%	0.074	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.8	-174.1	0	0	0	0	0	113.8	E766 P844 S845 E850 S851 S852	E766-A848 HydrophobicContact CB-CB 4.2Å; P844-A848 HydrophobicContact CB-CB 4.33Å; S845-A848 WeakPolarHBondContact O-CB 3.49Å; S845-A848 PolarHBondContact O-N 3.32Å; A848-E850 PolarHBondContact O-N 3.15Å; A848-S851 PolarHBondContact O-N 3.33Å; A848-S852 PolarHBondContact O-OG 3.33Å
849	K	53.4	Low	70.4	Confident	174 Å²	174	91.5 Å²	91.5	76%	0.757	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.5	178.8	-81.1	-172.2	175.9	-176.3	0	113.7	K847	K847-K849 VanDerWaalsContact C-N 3.33Å; K847-K849 PolarHBondContact O-N 2.99Å
850	E	53.1	Low	69.3	Low	187 Å²	187	95 Å²	95	87%	0.874	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-21.6	-177.9	-69	175.9	177.5	0	0	112.9	A848	A848-E850 PolarHBondContact O-N 3.15Å
851	S	55	Low	67.7	Low	63 Å²	63	98.7 Å²	98.7	44%	0.441	50%	0.501	S	S	.	.			trans	-133.5	65.3	-176.1	62.5	0	0	0	0	111.5	A848 L853	A848-S851 PolarHBondContact O-N 3.33Å; S851-L853 PolarHBondContact O-N 3.32Å
852	S	56.6	Low	66.1	Low	84 Å²	84	99.6 Å²	99.6	59%	0.587	52%	0.522	S	S	*	.			trans	-70.7	96	172.2	-66.4	0	0	0	0	109.9	A848 I854	A848-S852 PolarHBondContact O-OG 3.33Å; S852-I854 PolarHBondContact O-N 3.03Å
853	L	62.1	Low	64	Low	105 Å²	105	101.9 Å²	101.9	55%	0.55	53%	0.533	S	S	.	.	S	Bend	trans	-57.6	-34.1	176.4	-87.6	148.3	0	0	0	112.9	S851	S851-L853 PolarHBondContact O-N 3.32Å
854	I	71.2	Confident	62	Low	14 Å²	14	106.8 Å²	106.8	7%	0.072	56%	0.556	C	S	.	*	S	Bend	trans	-127.4	127.7	-178.2	-69	162	0	0	0	108.8	N710 I712 L759 I763 S852 W856	N710-I854 HydrophobicContact CB-CG2 4.33Å; I712-I854 HydrophobicContact CD1-CD1 3.48Å; I712-I854 VanDerWaalsContact CD1-CD1 3.48Å; I712-I854 HydrophobicContact CG1-CD1 3.7Å; L759-I854 HydrophobicContact CB-CD1 4.14Å; L759-I854 HydrophobicContact CD2-CD1 4.5Å; I763-I854 HydrophobicContact CD1-CD1 3.74Å; I763-I854 HydrophobicContact CG1-CD1 4.24Å; S852-I854 PolarHBondContact O-N 3.03Å; I854-W856 HydrophobicContact CG2-CZ2 4.38Å
855	V	77.5	Confident	60.1	Low	57 Å²	57	109 Å²	109	35%	0.345	57%	0.57	S	S	.	*			trans	-101.1	109.7	-175.7	179.6	0	0	0	0	109.7	G709 K857	G709-V855 PolarHBondContact O-N 3.28Å; V855-K857 HydrophobicContact CG1-CD 3.75Å; V855-K857 HydrophobicContact CG1-CG 3.8Å; V855-K857 PolarHBondContact O-N 3.43Å
856	W	80.7	Confident	58.4	Low	39 Å²	39	115.5 Å²	115.5	15%	0.148	60%	0.601	C	S	.	*			trans	-84.4	92.9	174	-64.2	95.2	0	0	0	110.4	W705 N710 V713 V833 A836 Y837 S840 I854	W705-W856 AromaticContact CD2-CE3 3.63Å; W705-W856 HydrophobicContact CD2-CE3 3.63Å; W705-W856 AromaticContact CD2-CZ3 3.82Å; W705-W856 HydrophobicContact CD2-CZ3 3.82Å; W705-W856 AromaticContact CE2-CE3 3.99Å; W705-W856 AromaticContact CE2-CZ3 3.91Å; W705-W856 AromaticContact CE3-CE3 3.69Å; W705-W856 HydrophobicContact CE3-CE3 3.69Å; W705-W856 HydrophobicContact CE3-CZ3 4.36Å; W705-W856 HydrophobicContact CG-CE3 4.08Å; W705-W856 AromaticContact CG-CZ3 3.93Å; W705-W856 HydrophobicContact CG-CZ3 3.93Å; W705-W856 HydrophobicContact CZ2-CE3 4.43Å; W705-W856 HydrophobicContact CZ3-CE3 4.14Å; W705-W856 AromaticContact NE1-CZ3 4Å; N710-W856 VanDerWaalsContact ND2-CZ3 3.25Å; N710-W856 WeakPolarHBondContact ND2-CZ3 3.25Å; V713-W856 HydrophobicContact CG2-CZ3 4.14Å; V833-W856 HydrophobicContact CG1-CH2 4.22Å; V833-W856 HydrophobicContact CG1-CZ3 4.36Å; A836-W856 HydrophobicContact CB-CZ2 4.04Å; Y837-W856 HydrophobicContact CD2-CB 4.01Å; Y837-W856 AromaticContact CD2-CD2 3.78Å; Y837-W856 HydrophobicContact CD2-CD2 3.78Å; Y837-W856 AromaticContact CD2-CE3 3.86Å; Y837-W856 HydrophobicContact CD2-CE3 3.86Å; Y837-W856 AromaticContact CD2-CG 3.84Å; Y837-W856 HydrophobicContact CD2-CG 3.84Å; Y837-W856 HydrophobicContact CE2-CB 4.29Å; Y837-W856 HydrophobicContact CG-CD2 4.42Å; Y837-W856 HydrophobicContact CG-CE3 4.32Å; S840-W856 PolarHBondContact OG-NE1 3.11Å; I854-W856 HydrophobicContact CG2-CZ2 4.38Å
857	K	77.4	Confident	56.7	Low	109 Å²	109	109.9 Å²	109.9	47%	0.474	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-102.1	134.7	170.1	-78.8	160.7	179.5	171.4	0	109.5	D706 V855	D706-K857 HydrophobicContact CB-CB 4.03Å; D706-K857 PolarHBondContact N-O 3.36Å; V855-K857 HydrophobicContact CG1-CD 3.75Å; V855-K857 HydrophobicContact CG1-CG 3.8Å; V855-K857 PolarHBondContact O-N 3.43Å
858	M	77.8	Confident	55.3	Low	151 Å²	151	111.5 Å²	111.5	74%	0.744	58%	0.584	S	S	*	*	B	Isolated β-bridge	trans	-61.5	138.6	162.6	-75.5	-173.1	175	0	0	108.7	K704 A860	K704-M858 WeakPolarHBondContact O-CA 3.35Å; M858-A860 PolarHBondContact O-N 3.49Å; M858-A860 VanDerWaalsContact O-N 3.14Å
859	R	75.4	Confident	54.3	Low	122 Å²	122	119 Å²	119	46%	0.46	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-59.2	119.6	171.5	176.2	171.4	-96.1	172.1	-4.8	108.7	K704 E707	K704-R859 PolarHBondContact O-N 2.88Å; K704-R859 VanDerWaalsContact O-N 3.08Å; E707-R859 IonicContact OE1-NH2 3.84Å; E707-R859 PolarHBondContact OE1-NH2 3.39Å
860	A	63.2	Low	53.3	Low	76 Å²	76	118 Å²	118	63%	0.628	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-62.4	137.9	177.4	0	0	0	0	0	109.9	M858 G862	M858-A860 PolarHBondContact O-N 3.49Å; M858-A860 VanDerWaalsContact O-N 3.14Å; A860-G862 PolarHBondContact O-N 3.44Å
861	P	52.4	Low	52.3	Low	112 Å²	112	114.5 Å²	114.5	73%	0.727	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-58.8	128.2	168	22.8	-29.4	0	0	0	108.1	K863	P861-K863 PolarHBondContact O-N 2.87Å
862	G	46.4	Very low	51.1	Low	81 Å²	81	115.2 Å²	115.2	84%	0.835	62%	0.623	S	S	*	*			trans	-55	110.1	-170.8	0	0	0	0	0	112	A860	A860-G862 PolarHBondContact O-N 3.44Å
863	K	34.4	Very low	50	Low	195 Å²	195	117.5 Å²	117.5	85%	0.848	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-79.7	126.2	173.4	-67.9	-173.6	179.2	-177	0	109	P861 P865	P861-K863 PolarHBondContact O-N 2.87Å; K863-P865 WeakPolarHBondContact O-CD 3.39Å
864	K	38.2	Very low	48.6	Very low	194 Å²	194	121.2 Å²	121.2	84%	0.843	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-69.9	122.7	171.5	-67.3	177.3	179.8	175.8	0	108.7
865	P	35.6	Very low	46.5	Very low	97 Å²	97	129.4 Å²	129.4	63%	0.63	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-68	145.6	177.2	24.2	-30.2	0	0	0	111.8	K863 V867	K863-P865 WeakPolarHBondContact O-CD 3.39Å; P865-V867 VanDerWaalsContact C-N 3.28Å; P865-V867 PolarHBondContact O-N 3.2Å
866	L	36.3	Very low	44.3	Very low	177 Å²	177	131.2 Å²	131.2	93%	0.927	71%	0.71	S	S	*	*	S	Bend	trans	-66.2	-24	-179.3	-91.9	124.3	0	0	0	114
867	V	28.5	Very low	41.7	Very low	84 Å²	84	141.4 Å²	141.4	51%	0.509	75%	0.748	S	S	.	*	S	Bend	trans	-129.2	120.9	174.1	-179.6	0	0	0	0	107.6	P865 H869	P865-V867 VanDerWaalsContact C-N 3.28Å; P865-V867 PolarHBondContact O-N 3.2Å; V867-H869 PolarHBondContact O-N 3.07Å
868	R	30.2	Very low	39.3	Very low	212 Å²	212	138.6 Å²	138.6	80%	0.8	75%	0.751	S	S	*	*			trans	-79.2	107	172.8	-67.7	-174.1	-177.1	-179	4	107.8	D870	R868-D870 PolarHBondContact O-N 3.49Å
869	H	35.2	Very low	37	Very low	166 Å²	166	138.2 Å²	138.2	77%	0.769	75%	0.75	S	S	*	*			trans	-75.7	114.1	156.9	-72.1	-69.4	0	0	0	106.8	V867 P871	V867-H869 PolarHBondContact O-N 3.07Å; H869-P871 WeakPolarHBondContact O-CD 3.48Å
870	D	32	Very low	34.5	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	76%	0.755	S	S	*	*			trans	-61.1	114.8	166.7	-78.4	-33.6	0	0	0	107.8	R868 A872	R868-D870 PolarHBondContact O-N 3.49Å; D870-A872 PolarHBondContact O-N 3.25Å
871	P	32.2	Very low	32.7	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	76%	0.76	S	S	*	*			trans	-70.9	133.3	176.9	-10.9	27.2	0	0	0	108.9	H869	H869-P871 WeakPolarHBondContact O-CD 3.48Å
872	A	30.3	Very low	31.6	Very low	77 Å²	77	145.7 Å²	145.7	64%	0.636	76%	0.755	S	S	*	*			trans	-55.5	142.7	166.9	0	0	0	0	0	109.9	D870 Q874	D870-A872 PolarHBondContact O-N 3.25Å; A872-Q874 PolarHBondContact O-N 3.32Å
873	P	33.3	Very low	30.8	Very low	133 Å²	133	145.2 Å²	145.2	86%	0.864	74%	0.743	S	S	*	*			trans	-65.9	96.1	-169.5	25.3	-32.9	0	0	0	110.9
874	Q	31.2	Very low	30.6	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	73%	0.727	S	S	*	*			trans	-81.5	121.5	171.8	-82.6	168.7	-15.7	0	0	109.2	A872 A876	A872-Q874 PolarHBondContact O-N 3.32Å; Q874-A876 PolarHBondContact O-N 3.43Å
875	Q	27.6	Very low	30.2	Very low	187 Å²	187	135.3 Å²	135.3	87%	0.874	71%	0.711	S	S	*	*			trans	-57.5	94.2	175.6	-72	171.5	-6.6	0	0	110.8	R877	Q875-R877 PolarHBondContact O-N 3.04Å; Q875-R877 VanDerWaalsContact O-N 3.12Å
876	A	31	Very low	29.9	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	72%	0.724	S	S	*	*			trans	-72.5	102.2	173.5	0	0	0	0	0	110	Q874 G878	Q874-A876 PolarHBondContact O-N 3.43Å; A876-G878 PolarHBondContact O-N 2.83Å
877	R	26.8	Very low	30.2	Very low	252 Å²	252	136.9 Å²	136.9	95%	0.951	69%	0.692	S	S	*	*			trans	-74.4	78	162.3	-74.6	179.5	171.7	167.4	-2.5	109	Q875	Q875-R877 PolarHBondContact O-N 3.04Å; Q875-R877 VanDerWaalsContact O-N 3.12Å
878	G	27.1	Very low	30.6	Very low	51 Å²	51	140.6 Å²	140.6	53%	0.526	70%	0.704	S	S	.	*	S	Bend	trans	-145	130.5	171	0	0	0	0	0	108.1	A876 I880	A876-G878 PolarHBondContact O-N 2.83Å; G878-I880 PolarHBondContact O-N 3.16Å
879	I	29.3	Very low	31.2	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	67%	0.671	S	S	*	*			trans	-47.7	111.3	-178.7	-65.3	166.2	0	0	0	108.8	R881	I879-R881 VanDerWaalsContact C-N 3.32Å; I879-R881 PolarHBondContact O-N 3.29Å
880	I	24.3	Very low	31.9	Very low	110 Å²	110	125.8 Å²	125.8	56%	0.564	64%	0.644	S	S	*	*			trans	-64.6	98.3	171.9	-60	171.8	0	0	0	105.4	G878 R882	G878-I880 PolarHBondContact O-N 3.16Å; I880-R882 VanDerWaalsContact C-N 3.31Å; I880-R882 HydrophobicContact CG2-CG 4.08Å; I880-R882 PolarHBondContact O-N 2.77Å
881	R	24.5	Very low	32.6	Very low	197 Å²	197	118.5 Å²	118.5	74%	0.743	61%	0.605	S	S	*	*			trans	-59.5	103.2	160	-73	-177.1	175.8	173.3	-2	105.2	I879 A883	I879-R881 VanDerWaalsContact C-N 3.32Å; I879-R881 PolarHBondContact O-N 3.29Å; R881-A883 PolarHBondContact O-N 3.2Å
882	R	30	Very low	33.1	Very low	160 Å²	160	117 Å²	117	60%	0.604	59%	0.59	S	S	*	*			trans	-72.9	39	-177.8	-73.4	-179	175.2	174.7	-5.2	112.1	I880 S884	I880-R882 VanDerWaalsContact C-N 3.31Å; I880-R882 HydrophobicContact CG2-CG 4.08Å; I880-R882 PolarHBondContact O-N 2.77Å; R882-S884 PolarHBondContact O-N 3.23Å
883	A	27.9	Very low	33.8	Very low	71 Å²	71	118.9 Å²	118.9	59%	0.587	58%	0.584	S	S	*	*	S	Bend	trans	-78.3	107.5	156.5	0	0	0	0	0	105.5	R881	R881-A883 PolarHBondContact O-N 3.2Å
884	S	30.8	Very low	34.5	Very low	73 Å²	73	114.7 Å²	114.7	51%	0.51	55%	0.554	S	S	.	*			trans	38.7	82.7	172	48.9	0	0	0	0	114.2	R882 R886	R882-S884 PolarHBondContact O-N 3.23Å; S884-R886 PolarHBondContact O-N 3.35Å
885	Q	29.4	Very low	35.2	Very low	109 Å²	109	108.3 Å²	108.3	51%	0.509	53%	0.525	S	S	.	.			trans	-45.6	124.4	149	-73.7	180	-15.4	0	0	105.8	R887	Q885-R887 PolarHBondContact O-N 3.2Å
886	R	30.3	Very low	36	Very low	239 Å²	239	101 Å²	101	90%	0.902	49%	0.494	S	S	*	.			trans	-36.3	106.1	176.7	-78.9	-177.5	173.6	-167.8	-3.5	107.2	S884 E888	S884-R886 PolarHBondContact O-N 3.35Å; R886-E888 PolarHBondContact O-N 3.04Å
887	R	42.2	Very low	36.5	Very low	68 Å²	68	102.3 Å²	102.3	26%	0.257	49%	0.485	S	S	.	.			trans	-58.8	119.1	176.3	-67.6	175	159.8	168.9	-8.6	103	Y450 S508 E563 Q885 L889	Y450-R887 HydrophobicContact CE1-CB 4.4Å; Y450-R887 WeakPolarHBondContact OH-CB 3.38Å; S508-R887 VanDerWaalsContact C-NH1 3.27Å; S508-R887 PolarHBondContact O-NH1 2.72Å; E563-R887 IonicContact OE2-CZ 2.93Å; E563-R887 IonicContact OE2-NE 3.79Å; E563-R887 PolarHBondContact OE2-NE 2.96Å; E563-R887 IonicContact OE2-NH2 3.03Å; E563-R887 PolarHBondContact OE2-NH2 3Å; Q885-R887 PolarHBondContact O-N 3.2Å; R887-L889 VanDerWaalsContact C-N 3.25Å; R887-L889 PolarHBondContact O-N 2.87Å
888	E	37.7	Very low	37.4	Very low	162 Å²	162	92 Å²	92	76%	0.757	45%	0.447	S	S	*	.			trans	-55	111	156.3	-84.5	-174.2	170.6	0	0	103.7	M566 R886 Q890	M566-E888 HydrophobicContact CE-CB 3.94Å; M566-E888 WeakPolarHBondContact CE-O 3.34Å; R886-E888 PolarHBondContact O-N 3.04Å; E888-Q890 PolarHBondContact O-N 2.98Å
889	L	43.1	Very low	38.1	Very low	21 Å²	21	92.2 Å²	92.2	11%	0.11	44%	0.44	C	S	.	.			trans	-55.9	114.8	-172.7	-82.3	152.4	0	0	0	106.2	Y450 I453 R887 I892 K893	Y450-L889 HydrophobicContact CD1-CD2 3.21Å; Y450-L889 HydrophobicContact CD1-CG 4.41Å; Y450-L889 HydrophobicContact CE1-CD2 3.25Å; Y450-L889 HydrophobicContact CE1-CG 4.09Å; Y450-L889 HydrophobicContact CG-CD2 4.32Å; I453-L889 HydrophobicContact CD1-CB 4.39Å; I453-L889 HydrophobicContact CD1-CD1 3.69Å; I453-L889 HydrophobicContact CD1-CD2 3.48Å; I453-L889 VanDerWaalsContact CD1-CD2 3.48Å; I453-L889 HydrophobicContact CD1-CG 4.06Å; R887-L889 VanDerWaalsContact C-N 3.25Å; R887-L889 PolarHBondContact O-N 2.87Å; L889-I892 HydrophobicContact CB-CB 3.58Å; L889-I892 HydrophobicContact CB-CD1 3.8Å; L889-I892 HydrophobicContact CB-CG1 3.46Å; L889-I892 VanDerWaalsContact CB-CG1 3.46Å; L889-I892 HydrophobicContact CD1-CD1 3.24Å; L889-I892 HydrophobicContact CD1-CG1 3.72Å; L889-I892 HydrophobicContact CG-CD1 4.1Å; L889-I892 HydrophobicContact CG-CG1 4.19Å; L889-I892 CarbonylContact O-C 3.17Å; L889-I892 WeakPolarHBondContact O-CA 3.28Å; L889-I892 WeakPolarHBondContact O-CB 3.33Å; L889-I892 PolarHBondContact O-N 2.75Å; L889-K893 PolarHBondContact O-N 3.29Å
890	Q	48.9	Very low	38.2	Very low	46 Å²	46	90.5 Å²	90.5	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-52.3	-36.7	169.2	-79.5	-140.1	-8.5	0	0	111.7	M566 E888 I892 K893 I894	M566-Q890 HydrophobicContact CE-CG 3.76Å; M566-Q890 HydrophobicContact SD-CG 4.06Å; E888-Q890 PolarHBondContact O-N 2.98Å; Q890-I892 VanDerWaalsContact C-N 3.3Å; Q890-I892 PolarHBondContact O-N 3.48Å; Q890-K893 WeakPolarHBondContact O-CA 3.36Å; Q890-K893 VanDerWaalsContact O-CB 3.31Å; Q890-K893 WeakPolarHBondContact O-CB 2.92Å; Q890-K893 PolarHBondContact O-N 3.46Å; Q890-I894 PolarHBondContact O-N 2.99Å
891	P	46	Very low	38.6	Very low	0 Å²	0	89.9 Å²	89.9	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-61.5	-36.1	168.9	-24.4	35	0	0	0	112.9	I453 L501 A505 K893 I894 L895	I453-P891 HydrophobicContact CD1-CB 4.3Å; I453-P891 HydrophobicContact CG2-CB 3.51Å; I453-P891 HydrophobicContact CG2-CG 3.86Å; L501-P891 HydrophobicContact CD1-CB 4.15Å; A505-P891 HydrophobicContact CB-CG 4.47Å; P891-K893 VanDerWaalsContact C-N 3.34Å; P891-I894 PolarHBondContact O-N 2.69Å; P891-L895 WeakPolarHBondContact O-CB 3.43Å; P891-L895 WeakPolarHBondContact O-CG 3.06Å; P891-L895 PolarHBondContact O-N 3.16Å
892	I	43.7	Very low	39	Very low	82 Å²	82	83.6 Å²	83.6	42%	0.421	44%	0.444	S	S	.	.	H	α-helix	trans	-67.4	-34.1	168.8	-68.3	-177.8	0	0	0	110.8	I453 L889 Q890 I894 L895 S896	I453-I892 HydrophobicContact CD1-CG1 4.5Å; L889-I892 HydrophobicContact CB-CB 3.58Å; L889-I892 HydrophobicContact CB-CD1 3.8Å; L889-I892 HydrophobicContact CB-CG1 3.46Å; L889-I892 VanDerWaalsContact CB-CG1 3.46Å; L889-I892 HydrophobicContact CD1-CD1 3.24Å; L889-I892 HydrophobicContact CD1-CG1 3.72Å; L889-I892 HydrophobicContact CG-CD1 4.1Å; L889-I892 HydrophobicContact CG-CG1 4.19Å; L889-I892 CarbonylContact O-C 3.17Å; L889-I892 WeakPolarHBondContact O-CA 3.28Å; L889-I892 WeakPolarHBondContact O-CB 3.33Å; L889-I892 PolarHBondContact O-N 2.75Å; Q890-I892 VanDerWaalsContact C-N 3.3Å; Q890-I892 PolarHBondContact O-N 3.48Å; I892-I894 VanDerWaalsContact C-N 3.31Å; I892-I894 PolarHBondContact O-N 2.99Å; I892-L895 CarbonylContact O-C 3.26Å; I892-L895 WeakPolarHBondContact O-CA 3.41Å; I892-L895 PolarHBondContact O-N 3.43Å; I892-L895 VanDerWaalsContact O-N 3.11Å; I892-S896 VanDerWaalsContact O-CA 3.29Å; I892-S896 WeakPolarHBondContact O-CA 3.41Å; I892-S896 WeakPolarHBondContact O-CB 3.26Å; I892-S896 PolarHBondContact O-N 2.8Å; I892-S896 PolarHBondContact O-OG 3.06Å
893	K	46	Very low	38.8	Very low	116 Å²	116	84 Å²	84	50%	0.504	46%	0.458	S	S	.	.	H	α-helix	trans	-59.3	-46.5	174.9	-164.3	176.8	177.7	-177	0	110.4	L889 Q890 P891 L895 S896 E897	L889-K893 PolarHBondContact O-N 3.29Å; Q890-K893 WeakPolarHBondContact O-CA 3.36Å; Q890-K893 VanDerWaalsContact O-CB 3.31Å; Q890-K893 WeakPolarHBondContact O-CB 2.92Å; Q890-K893 PolarHBondContact O-N 3.46Å; P891-K893 VanDerWaalsContact C-N 3.34Å; K893-L895 PolarHBondContact O-N 3.13Å; K893-S896 VanDerWaalsContact CA-OG 3.24Å; K893-S896 WeakPolarHBondContact CA-OG 3.42Å; K893-S896 CarbonylContact O-C 3.13Å; K893-S896 WeakPolarHBondContact O-CA 3.49Å; K893-S896 PolarHBondContact O-N 3.47Å; K893-S896 VanDerWaalsContact O-N 3.08Å; K893-S896 PolarHBondContact O-OG 3.37Å; K893-E897 WeakPolarHBondContact O-CG 3.41Å; K893-E897 PolarHBondContact O-N 2.88Å
894	I	47.6	Very low	39	Very low	45 Å²	45	91.1 Å²	91.1	23%	0.231	49%	0.494	C	S	.	.	H	α-helix	trans	-61.8	-42.5	171.7	-62.3	171.5	0	0	0	111.1	L504 Q890 P891 I892 S896 E897 F898	L504-I894 HydrophobicContact CD1-CD1 3.44Å; L504-I894 VanDerWaalsContact CD1-CD1 3.44Å; Q890-I894 PolarHBondContact O-N 2.99Å; P891-I894 PolarHBondContact O-N 2.69Å; I892-I894 VanDerWaalsContact C-N 3.31Å; I892-I894 PolarHBondContact O-N 2.99Å; I894-S896 VanDerWaalsContact C-N 3.26Å; I894-S896 PolarHBondContact O-N 3.44Å; I894-E897 WeakPolarHBondContact O-CB 3.44Å; I894-E897 PolarHBondContact O-N 3.18Å; I894-F898 HydrophobicContact CG2-CE2 4.46Å; I894-F898 WeakPolarHBondContact O-CD2 3.39Å; I894-F898 WeakPolarHBondContact O-CE2 3.25Å
895	L	44.4	Very low	39.4	Very low	49 Å²	49	92 Å²	92	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-23.2	174.9	-64.5	165.5	0	0	0	112.9	A217 P891 I892 K893 F898 S899	A217-L895 HydrophobicContact CB-CD2 4.48Å; P891-L895 WeakPolarHBondContact O-CB 3.43Å; P891-L895 WeakPolarHBondContact O-CG 3.06Å; P891-L895 PolarHBondContact O-N 3.16Å; I892-L895 CarbonylContact O-C 3.26Å; I892-L895 WeakPolarHBondContact O-CA 3.41Å; I892-L895 PolarHBondContact O-N 3.43Å; I892-L895 VanDerWaalsContact O-N 3.11Å; K893-L895 PolarHBondContact O-N 3.13Å; L895-F898 HydrophobicContact CD2-CD2 4.44Å; L895-F898 WeakPolarHBondContact O-CB 3.47Å; L895-F898 PolarHBondContact O-N 3.26Å; L895-S899 PolarHBondContact O-OG 2.92Å
896	S	44.4	Very low	40	Very low	32 Å²	32	91.1 Å²	91.1	22%	0.224	49%	0.492	C	S	.	.	H	α-helix	trans	-87.7	-21.9	-177.9	78.7	0	0	0	0	111.4	I892 K893 I894 F898 S899 T900	I892-S896 VanDerWaalsContact O-CA 3.29Å; I892-S896 WeakPolarHBondContact O-CA 3.41Å; I892-S896 WeakPolarHBondContact O-CB 3.26Å; I892-S896 PolarHBondContact O-N 2.8Å; I892-S896 PolarHBondContact O-OG 3.06Å; K893-S896 VanDerWaalsContact CA-OG 3.24Å; K893-S896 WeakPolarHBondContact CA-OG 3.42Å; K893-S896 CarbonylContact O-C 3.13Å; K893-S896 WeakPolarHBondContact O-CA 3.49Å; K893-S896 PolarHBondContact O-N 3.47Å; K893-S896 VanDerWaalsContact O-N 3.08Å; K893-S896 PolarHBondContact O-OG 3.37Å; I894-S896 VanDerWaalsContact C-N 3.26Å; I894-S896 PolarHBondContact O-N 3.44Å; S896-F898 PolarHBondContact O-N 2.93Å; S896-S899 WeakPolarHBondContact CA-OG 3.5Å; S896-S899 CarbonylContact O-C 3.47Å; S896-S899 WeakPolarHBondContact O-CA 3.4Å; S896-S899 WeakPolarHBondContact O-CB 3.46Å; S896-S899 PolarHBondContact O-N 2.86Å; S896-T900 PolarHBondContact O-N 3.13Å; S896-T900 PolarHBondContact O-OG1 3.08Å
897	E	42.8	Very low	40.5	Very low	124 Å²	124	82.9 Å²	82.9	58%	0.579	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.8	160.4	-71.3	174.9	-168.5	0	0	110.7	K893 I894	K893-E897 WeakPolarHBondContact O-CG 3.41Å; K893-E897 PolarHBondContact O-N 2.88Å; I894-E897 WeakPolarHBondContact O-CB 3.44Å; I894-E897 PolarHBondContact O-N 3.18Å
898	F	46.1	Very low	40.4	Very low	35 Å²	35	83.8 Å²	83.8	15%	0.154	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.7	167.2	-50.5	-62.7	0	0	0	114.1	R216 A217 K220 I894 L895 S896	R216-F898 PolarHBondContact NH1-O 3.41Å; R216-F898 PolarHBondContact NH2-O 2.95Å; A217-F898 HydrophobicContact CB-CD2 4.46Å; K220-F898 HydrophobicContact CD-CD1 3.66Å; K220-F898 HydrophobicContact CD-CE1 3.7Å; I894-F898 HydrophobicContact CG2-CE2 4.46Å; I894-F898 WeakPolarHBondContact O-CD2 3.39Å; I894-F898 WeakPolarHBondContact O-CE2 3.25Å; L895-F898 HydrophobicContact CD2-CD2 4.44Å; L895-F898 WeakPolarHBondContact O-CB 3.47Å; L895-F898 PolarHBondContact O-N 3.26Å; S896-F898 PolarHBondContact O-N 2.93Å
899	S	40.1	Very low	40.6	Very low	55 Å²	55	78.9 Å²	78.9	39%	0.385	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27	179.7	-50.6	0	0	0	0	113.6	L895 S896 A901	L895-S899 PolarHBondContact O-OG 2.92Å; S896-S899 WeakPolarHBondContact CA-OG 3.5Å; S896-S899 CarbonylContact O-C 3.47Å; S896-S899 WeakPolarHBondContact O-CA 3.4Å; S896-S899 WeakPolarHBondContact O-CB 3.46Å; S896-S899 PolarHBondContact O-N 2.86Å; S899-A901 PolarHBondContact O-N 3.49Å
900	T	31.3	Very low	40.4	Very low	107 Å²	107	82.7 Å²	82.7	66%	0.656	49%	0.488	S	S	*	.			trans	-97.4	81.9	-170.9	47.5	0	0	0	0	111.5	S896	S896-T900 PolarHBondContact O-N 3.13Å; S896-T900 PolarHBondContact O-OG1 3.08Å
901	A	34.5	Very low	39.8	Very low	96 Å²	96	85.4 Å²	85.4	79%	0.793	51%	0.508	S	S	*	.			trans	-126.5	89.1	155.9	0	0	0	0	0	107.4	S899	S899-A901 PolarHBondContact O-N 3.49Å
902	G	32.1	Very low	39.3	Very low	65 Å²	65	91.9 Å²	91.9	67%	0.67	55%	0.547	S	S	*	.			trans	175.7	49.3	-177.5	0	0	0	0	0	113.8
903	D	26.3	Very low	38.9	Very low	168 Å²	168	92.8 Å²	92.8	90%	0.898	56%	0.558	S	S	*	*			trans	-143.6	71.8	152.9	-89.5	-27.2	0	0	0	107
904	V	31.7	Very low	38.3	Very low	221 Å²	221	90.6 Å²	90.6	100%	1.339	56%	0.562	S	S	*	*			trans	-133.9	0	155.4	-177.1	0	0	0	0	107.6

Retrieved 904 of 904 residues in 1040.2 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).